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 2zut_1_D DATA FIRST_RESID 3 DATA SEQUENCE STGRFTLPSE ENFAEKTKEL AELWGADAIR NXXXXXXXXX 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 DSGIAWRE 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 0.000 174.587 174.600 -0.021 0.000 1.055 3 S CA 0.000 58.186 58.200 -0.023 0.000 1.107 3 S CB 0.000 63.187 63.200 -0.021 0.000 0.593 4 T N 0.247 114.794 114.554 -0.012 0.000 2.883 4 T HA 0.852 5.196 4.350 -0.010 0.000 0.301 4 T C 0.289 174.994 174.700 0.009 0.000 1.158 4 T CA 1.124 63.219 62.100 -0.009 0.000 1.007 4 T CB 0.854 69.713 68.868 -0.015 0.000 1.186 4 T HN 2.648 nan 8.240 nan 0.000 0.499 5 G N 2.383 111.197 108.800 0.025 0.000 2.610 5 G HA2 -0.009 3.945 3.960 -0.010 0.000 0.304 5 G HA3 -0.009 3.945 3.960 -0.010 0.000 0.304 5 G C -0.181 174.764 174.900 0.075 0.000 1.309 5 G CA 0.104 45.231 45.100 0.044 0.000 0.906 5 G HN 1.160 nan 8.290 nan 0.000 0.521 6 R N -2.197 118.334 120.500 0.052 0.000 3.863 6 R HA -0.224 4.110 4.340 -0.010 0.000 0.313 6 R C -0.032 176.272 176.300 0.007 0.000 1.202 6 R CA 1.610 57.737 56.100 0.047 0.000 0.852 6 R CB -1.782 28.584 30.300 0.110 0.000 1.292 6 R HN 1.245 nan 8.270 nan 0.000 0.519 7 F N -0.358 119.520 119.950 -0.120 0.000 2.573 7 F HA 0.323 4.844 4.527 -0.010 0.000 0.316 7 F C -0.377 175.367 175.800 -0.093 0.000 1.148 7 F CA -0.516 57.392 58.000 -0.154 0.000 0.940 7 F CB 1.940 40.865 39.000 -0.125 0.000 1.214 7 F HN -0.197 nan 8.300 nan 0.000 0.448 8 T N 6.980 121.309 114.554 -0.375 0.000 2.758 8 T HA 0.408 4.753 4.350 -0.010 0.000 0.285 8 T C -0.790 173.820 174.700 -0.151 0.000 0.981 8 T CA -0.467 61.469 62.100 -0.272 0.000 0.965 8 T CB 1.119 69.748 68.868 -0.399 0.000 0.927 8 T HN 0.477 nan 8.240 nan 0.000 0.448 9 L N 6.483 127.788 121.223 0.137 0.000 2.296 9 L HA 0.487 4.821 4.340 -0.010 0.000 0.286 9 L C -2.176 174.795 176.870 0.169 0.000 1.023 9 L CA -2.496 52.559 54.840 0.359 0.000 0.812 9 L CB 2.157 44.471 42.059 0.424 0.000 1.223 9 L HN 0.359 nan 8.230 nan 0.000 0.421 10 P HA 0.213 nan 4.420 nan 0.000 0.278 10 P C -1.107 176.310 177.300 0.195 0.000 1.238 10 P CA -0.231 62.948 63.100 0.132 0.000 0.794 10 P CB 1.760 33.509 31.700 0.082 0.000 0.955 11 S N 0.824 116.615 115.700 0.152 0.000 2.921 11 S HA 0.822 5.286 4.470 -0.010 0.000 0.315 11 S C -0.623 174.069 174.600 0.155 0.000 1.087 11 S CA -0.677 57.638 58.200 0.190 0.000 0.877 11 S CB 1.500 64.805 63.200 0.175 0.000 1.340 11 S HN 0.649 nan 8.310 nan 0.000 0.622 12 E N -1.025 119.281 120.200 0.175 0.000 2.389 12 E HA 0.330 4.674 4.350 -0.010 0.000 0.281 12 E C -1.775 174.919 176.600 0.157 0.000 1.072 12 E CA -0.957 55.526 56.400 0.139 0.000 0.845 12 E CB 0.485 30.249 29.700 0.107 0.000 1.239 12 E HN 0.351 nan 8.360 nan 0.000 0.434 13 E N 1.483 121.756 120.200 0.123 0.000 2.415 13 E HA 0.057 4.401 4.350 -0.010 0.000 0.262 13 E C -0.117 176.562 176.600 0.132 0.000 1.038 13 E CA 0.312 56.780 56.400 0.114 0.000 0.921 13 E CB 0.083 29.833 29.700 0.084 0.000 0.950 13 E HN 0.611 nan 8.360 nan 0.000 0.438 14 N N 1.649 120.427 118.700 0.129 0.000 2.758 14 N HA -0.259 4.475 4.740 -0.010 0.000 0.248 14 N C -0.470 175.191 175.510 0.252 0.000 1.076 14 N CA 0.595 53.727 53.050 0.136 0.000 0.696 14 N CB -1.324 37.221 38.487 0.097 0.000 0.979 14 N HN 0.387 nan 8.380 nan 0.000 0.550 15 F N -0.788 119.170 119.950 0.014 0.000 2.608 15 F HA 0.519 5.040 4.527 -0.010 0.000 0.383 15 F C 1.275 177.074 175.800 -0.003 0.000 1.371 15 F CA 0.040 58.044 58.000 0.007 0.000 1.123 15 F CB -0.011 39.004 39.000 0.024 0.000 1.207 15 F HN 0.101 nan 8.300 nan 0.000 0.512 16 A N -0.209 122.592 122.820 -0.032 0.000 1.877 16 A HA -0.107 4.207 4.320 -0.010 0.000 0.216 16 A C 2.196 179.678 177.584 -0.169 0.000 1.186 16 A CA 1.823 53.818 52.037 -0.069 0.000 0.620 16 A CB -0.259 18.722 19.000 -0.032 0.000 0.822 16 A HN 0.342 nan 8.150 nan 0.000 0.443 17 E N -0.096 119.972 120.200 -0.221 0.000 2.072 17 E HA -0.131 4.213 4.350 -0.010 0.000 0.191 17 E C 1.956 178.351 176.600 -0.342 0.000 0.985 17 E CA 0.853 57.112 56.400 -0.235 0.000 0.801 17 E CB -0.212 29.374 29.700 -0.190 0.000 0.750 17 E HN 0.396 nan 8.360 nan 0.000 0.452 18 K N 0.227 120.266 120.400 -0.601 0.000 2.097 18 K HA -0.030 4.284 4.320 -0.010 0.000 0.205 18 K C 2.191 178.494 176.600 -0.495 0.000 1.050 18 K CA 0.920 56.778 56.287 -0.714 0.000 0.938 18 K CB -0.477 31.182 32.500 -1.402 0.000 0.718 18 K HN 0.107 nan 8.250 nan 0.000 0.442 19 T N 1.578 115.891 114.554 -0.402 0.000 2.652 19 T HA -0.166 4.179 4.350 -0.010 0.000 0.267 19 T C 1.904 176.518 174.700 -0.144 0.000 1.039 19 T CA 1.488 63.508 62.100 -0.134 0.000 1.153 19 T CB -0.093 68.775 68.868 0.001 0.000 0.863 19 T HN 0.285 nan 8.240 nan 0.000 0.428 20 K N 0.982 121.292 120.400 -0.149 0.000 2.044 20 K HA -0.222 4.092 4.320 -0.010 0.000 0.210 20 K C 2.379 178.880 176.600 -0.165 0.000 1.049 20 K CA 1.806 58.016 56.287 -0.129 0.000 0.927 20 K CB -0.184 32.247 32.500 -0.115 0.000 0.713 20 K HN 0.436 nan 8.250 nan 0.000 0.443 21 E N 0.423 120.496 120.200 -0.212 0.000 2.077 21 E HA -0.171 4.173 4.350 -0.010 0.000 0.193 21 E C 2.172 178.582 176.600 -0.316 0.000 0.989 21 E CA 1.029 57.289 56.400 -0.234 0.000 0.800 21 E CB 0.004 29.559 29.700 -0.241 0.000 0.746 21 E HN 0.353 nan 8.360 nan 0.000 0.452 22 L N 0.129 121.110 121.223 -0.403 0.000 2.156 22 L HA -0.051 4.283 4.340 -0.010 0.000 0.208 22 L C 2.596 179.161 176.870 -0.509 0.000 1.095 22 L CA 0.695 55.126 54.840 -0.681 0.000 0.770 22 L CB -0.329 41.254 42.059 -0.794 0.000 0.914 22 L HN 0.170 nan 8.230 nan 0.000 0.439 23 A N 0.155 122.831 122.820 -0.240 0.000 1.933 23 A HA -0.210 4.104 4.320 -0.010 0.000 0.218 23 A C 2.145 179.657 177.584 -0.120 0.000 1.175 23 A CA 1.613 53.587 52.037 -0.105 0.000 0.628 23 A CB -0.288 18.685 19.000 -0.046 0.000 0.814 23 A HN 0.437 nan 8.150 nan 0.000 0.444 24 E N -0.872 119.237 120.200 -0.152 0.000 2.051 24 E HA -0.088 4.256 4.350 -0.010 0.000 0.189 24 E C 1.903 178.421 176.600 -0.137 0.000 0.979 24 E CA 0.897 57.223 56.400 -0.124 0.000 0.803 24 E CB -0.218 29.413 29.700 -0.114 0.000 0.761 24 E HN 0.449 nan 8.360 nan 0.000 0.451 25 L N -0.025 121.068 121.223 -0.217 0.000 2.079 25 L HA -0.168 4.166 4.340 -0.010 0.000 0.210 25 L C 1.329 178.185 176.870 -0.024 0.000 1.081 25 L CA 1.448 56.173 54.840 -0.191 0.000 0.752 25 L CB -0.078 41.753 42.059 -0.380 0.000 0.896 25 L HN 0.273 nan 8.230 nan 0.000 0.433 26 W N -0.533 120.584 121.300 -0.305 0.000 3.177 26 W HA 0.450 5.104 4.660 -0.010 0.000 0.309 26 W C 1.557 177.737 176.519 -0.564 0.000 1.224 26 W CA 0.141 57.158 57.345 -0.547 0.000 1.718 26 W CB -1.031 27.916 29.460 -0.854 0.000 1.078 26 W HN 0.278 nan 8.180 nan 0.000 0.618 27 G N 1.384 110.109 108.800 -0.124 0.000 2.273 27 G HA2 -0.069 3.885 3.960 -0.010 0.000 0.280 27 G HA3 -0.069 3.885 3.960 -0.010 0.000 0.280 27 G C 0.513 175.373 174.900 -0.067 0.000 1.047 27 G CA 0.041 45.084 45.100 -0.094 0.000 0.869 27 G HN 0.434 nan 8.290 nan 0.000 0.502 28 A N 0.072 122.865 122.820 -0.045 0.000 2.462 28 A HA 0.536 4.850 4.320 -0.010 0.000 0.243 28 A C 1.229 178.867 177.584 0.090 0.000 1.076 28 A CA 0.765 52.885 52.037 0.138 0.000 0.773 28 A CB 0.376 19.520 19.000 0.241 0.000 1.010 28 A HN 0.868 nan 8.150 nan 0.000 0.493 29 D N 0.104 120.567 120.400 0.104 0.000 2.500 29 D HA 0.409 5.043 4.640 -0.010 0.000 0.217 29 D C 0.087 176.409 176.300 0.037 0.000 1.159 29 D CA 0.708 54.739 54.000 0.053 0.000 0.828 29 D CB 0.156 40.979 40.800 0.039 0.000 1.039 29 D HN 0.624 nan 8.370 nan 0.000 0.512 30 A N 0.346 123.172 122.820 0.011 0.000 2.449 30 A HA 0.714 5.028 4.320 -0.010 0.000 0.302 30 A C -1.158 176.349 177.584 -0.129 0.000 1.048 30 A CA -0.750 51.223 52.037 -0.107 0.000 0.708 30 A CB 1.395 20.195 19.000 -0.333 0.000 1.274 30 A HN 0.143 nan 8.150 nan 0.000 0.410 31 I N 1.236 121.735 120.570 -0.118 0.000 2.465 31 I HA 0.519 4.684 4.170 -0.010 0.000 0.291 31 I C 0.089 176.157 176.117 -0.081 0.000 1.014 31 I CA -0.529 60.737 61.300 -0.058 0.000 1.093 31 I CB 2.118 40.135 38.000 0.028 0.000 1.267 31 I HN 0.799 nan 8.210 nan 0.000 0.431 32 R N 4.833 125.295 120.500 -0.063 0.000 2.393 32 R HA 0.413 4.747 4.340 -0.010 0.000 0.310 32 R C -0.498 175.851 176.300 0.083 0.000 0.968 32 R CA -0.405 55.709 56.100 0.025 0.000 0.867 32 R CB 1.214 31.509 30.300 -0.009 0.000 1.124 32 R HN 0.664 nan 8.270 nan 0.000 0.450 44 L N 1.318 122.548 121.223 0.012 0.000 2.353 44 L HA 0.024 4.358 4.340 -0.010 0.000 0.220 44 L C 2.218 179.091 176.870 0.004 0.000 1.133 44 L CA 1.736 56.583 54.840 0.011 0.000 0.798 44 L CB -0.272 41.792 42.059 0.008 0.000 0.922 44 L HN 0.465 nan 8.230 nan 0.000 0.445 45 A N -0.782 122.038 122.820 -0.001 0.000 2.251 45 A HA 0.155 4.469 4.320 -0.010 0.000 0.209 45 A C 1.907 179.487 177.584 -0.007 0.000 1.187 45 A CA 0.086 52.120 52.037 -0.005 0.000 0.823 45 A CB -0.320 18.674 19.000 -0.009 0.000 0.846 45 A HN 0.363 nan 8.150 nan 0.000 0.486 46 L N -0.986 120.234 121.223 -0.005 0.000 2.552 46 L HA 0.086 4.420 4.340 -0.010 0.000 0.227 46 L C 1.723 178.592 176.870 -0.002 0.000 1.146 46 L CA 0.624 55.459 54.840 -0.008 0.000 0.858 46 L CB -0.346 41.708 42.059 -0.008 0.000 0.969 46 L HN 0.557 nan 8.230 nan 0.000 0.451 47 G N 0.321 109.123 108.800 0.003 0.000 2.198 47 G HA2 -0.248 3.707 3.960 -0.010 0.000 0.260 47 G HA3 -0.248 3.707 3.960 -0.010 0.000 0.260 47 G C 0.204 175.112 174.900 0.015 0.000 1.025 47 G CA 0.122 45.226 45.100 0.007 0.000 0.769 47 G HN 0.162 nan 8.290 nan 0.000 0.507 48 K N -0.288 120.124 120.400 0.021 0.000 2.090 48 K HA 0.493 4.807 4.320 -0.010 0.000 0.249 48 K C 0.533 177.163 176.600 0.051 0.000 0.995 48 K CA -1.007 55.299 56.287 0.031 0.000 0.914 48 K CB 0.852 33.368 32.500 0.027 0.000 1.057 48 K HN 0.226 nan 8.250 nan 0.000 0.462 49 K N 1.562 122.004 120.400 0.071 0.000 2.349 49 K HA 0.185 4.500 4.320 -0.010 0.000 0.288 49 K C -0.352 176.347 176.600 0.166 0.000 1.058 49 K CA -0.221 56.145 56.287 0.132 0.000 0.953 49 K CB 0.354 32.964 32.500 0.183 0.000 0.997 49 K HN 0.305 nan 8.250 nan 0.000 0.477 50 I N 5.770 126.453 120.570 0.189 0.000 2.321 50 I HA 0.137 4.301 4.170 -0.010 0.000 0.291 50 I C -0.506 175.821 176.117 0.349 0.000 0.998 50 I CA -0.683 60.735 61.300 0.197 0.000 1.227 50 I CB 0.424 38.489 38.000 0.109 0.000 1.368 50 I HN 0.462 nan 8.210 nan 0.000 0.466 51 Y N 4.929 125.267 120.300 0.064 0.000 2.320 51 Y HA 0.389 4.933 4.550 -0.010 0.000 0.334 51 Y C 0.654 176.595 175.900 0.068 0.000 1.055 51 Y CA -1.021 57.116 58.100 0.061 0.000 1.143 51 Y CB 0.826 39.314 38.460 0.048 0.000 1.193 51 Y HN 0.441 nan 8.280 nan 0.000 0.477 52 N N 1.631 120.458 118.700 0.212 0.000 2.346 52 N HA 0.549 5.283 4.740 -0.010 0.000 0.289 52 N C -0.798 174.739 175.510 0.046 0.000 1.027 52 N CA -0.490 52.684 53.050 0.207 0.000 0.864 52 N CB 2.304 41.022 38.487 0.384 0.000 1.370 52 N HN 0.721 nan 8.380 nan 0.000 0.481 53 A N 2.232 125.011 122.820 -0.069 0.000 2.445 53 A HA 0.301 4.615 4.320 -0.010 0.000 0.242 53 A C -1.028 176.124 177.584 -0.720 0.000 1.075 53 A CA 0.313 52.117 52.037 -0.388 0.000 0.777 53 A CB 0.174 18.968 19.000 -0.343 0.000 1.013 53 A HN 0.679 nan 8.150 nan 0.000 0.493 54 Y N 0.293 119.895 120.300 -1.162 0.000 2.457 54 Y HA 0.575 5.119 4.550 -0.010 0.000 0.343 54 Y C -1.476 173.771 175.900 -1.088 0.000 0.994 54 Y CA -1.098 56.278 58.100 -1.207 0.000 1.031 54 Y CB 1.842 39.616 38.460 -1.143 0.000 1.246 54 Y HN 0.534 nan 8.280 nan 0.000 0.449 55 F N 7.011 126.553 119.950 -0.681 0.000 2.453 55 F HA 0.413 4.934 4.527 -0.010 0.000 0.358 55 F C -2.038 173.548 175.800 -0.357 0.000 1.129 55 F CA -2.485 55.282 58.000 -0.388 0.000 1.200 55 F CB 0.897 39.714 39.000 -0.305 0.000 1.431 55 F HN 0.365 nan 8.300 nan 0.000 0.503 56 P HA -0.143 nan 4.420 nan 0.000 0.217 56 P C 1.305 178.639 177.300 0.057 0.000 1.148 56 P CA 1.577 64.721 63.100 0.074 0.000 0.828 56 P CB 0.050 31.787 31.700 0.062 0.000 0.783 57 T N -3.864 110.598 114.554 -0.154 0.000 3.214 57 T HA 0.344 4.688 4.350 -0.010 0.000 0.264 57 T C 0.481 174.502 174.700 -1.131 0.000 1.012 57 T CA -0.596 61.145 62.100 -0.598 0.000 0.901 57 T CB -0.282 68.401 68.868 -0.308 0.000 1.070 57 T HN 0.228 nan 8.240 nan 0.000 0.561 58 R N -1.203 118.942 120.500 -0.593 0.000 3.006 58 R HA 0.744 5.078 4.340 -0.010 0.000 0.261 58 R C -0.133 176.240 176.300 0.121 0.000 1.113 58 R CA -0.699 55.226 56.100 -0.293 0.000 0.973 58 R CB -0.074 30.125 30.300 -0.168 0.000 1.341 58 R HN 0.383 nan 8.270 nan 0.000 0.437 59 A N -0.188 122.677 122.820 0.074 0.000 2.905 59 A HA -0.150 4.164 4.320 -0.010 0.000 0.260 59 A C -0.535 176.865 177.584 -0.306 0.000 1.398 59 A CA 1.382 53.367 52.037 -0.087 0.000 0.840 59 A CB -2.416 16.489 19.000 -0.159 0.000 1.059 59 A HN 0.703 nan 8.150 nan 0.000 0.647 60 H N -1.105 118.231 119.070 0.442 0.000 2.695 60 H HA 0.179 4.729 4.556 -0.010 0.000 0.222 60 H C 0.864 176.354 175.328 0.271 0.000 1.412 60 H CA -0.234 56.038 56.048 0.374 0.000 1.347 60 H CB -0.062 29.972 29.762 0.454 0.000 1.858 60 H HN 0.388 nan 8.280 nan 0.000 0.519 61 N N 1.174 120.030 118.700 0.260 0.000 2.192 61 N HA -0.170 4.564 4.740 -0.010 0.000 0.188 61 N C 2.095 177.653 175.510 0.081 0.000 1.013 61 N CA 1.149 54.291 53.050 0.153 0.000 0.863 61 N CB 0.271 38.806 38.487 0.081 0.000 0.990 61 N HN 0.631 nan 8.380 nan 0.000 0.430 62 E N 0.010 120.280 120.200 0.115 0.000 2.204 62 E HA -0.212 4.132 4.350 -0.010 0.000 0.195 62 E C 1.783 178.387 176.600 0.006 0.000 0.990 62 E CA 0.751 57.193 56.400 0.069 0.000 0.821 62 E CB -0.761 29.017 29.700 0.129 0.000 0.750 62 E HN 0.635 nan 8.360 nan 0.000 0.477 63 W N 1.008 122.149 121.300 -0.264 0.000 2.501 63 W HA -0.035 4.619 4.660 -0.010 0.000 0.309 63 W C 1.915 178.254 176.519 -0.300 0.000 1.165 63 W CA 0.694 57.709 57.345 -0.550 0.000 1.381 63 W CB -0.273 28.289 29.460 -1.496 0.000 1.142 63 W HN 0.091 nan 8.180 nan 0.000 0.509 64 I N 2.411 122.797 120.570 -0.307 0.000 2.676 64 I HA -0.202 3.962 4.170 -0.010 0.000 0.259 64 I C 2.540 178.506 176.117 -0.252 0.000 1.194 64 I CA 2.285 63.414 61.300 -0.286 0.000 1.473 64 I CB -0.693 37.406 38.000 0.166 0.000 1.096 64 I HN 0.050 nan 8.210 nan 0.000 0.443 65 T N -1.737 112.696 114.554 -0.201 0.000 2.929 65 T HA -0.128 4.216 4.350 -0.010 0.000 0.271 65 T C 1.682 176.200 174.700 -0.304 0.000 1.085 65 T CA 1.250 63.229 62.100 -0.200 0.000 1.125 65 T CB -0.656 68.128 68.868 -0.139 0.000 0.874 65 T HN 0.394 nan 8.240 nan 0.000 0.494 66 L N -0.072 120.882 121.223 -0.449 0.000 2.592 66 L HA 0.255 4.589 4.340 -0.010 0.000 0.227 66 L C 0.944 177.185 176.870 -1.049 0.000 1.127 66 L CA 0.337 54.776 54.840 -0.668 0.000 0.884 66 L CB -0.112 41.518 42.059 -0.715 0.000 1.065 66 L HN 0.397 nan 8.230 nan 0.000 0.457 67 H N -0.662 118.076 119.070 -0.553 0.000 2.901 67 H HA 0.220 4.770 4.556 -0.010 0.000 0.227 67 H C 0.971 176.101 175.328 -0.330 0.000 1.390 67 H CA -0.258 55.502 56.048 -0.480 0.000 1.120 67 H CB 0.872 30.211 29.762 -0.705 0.000 2.131 67 H HN 0.095 nan 8.280 nan 0.000 0.549 68 M N 0.870 120.315 119.600 -0.258 0.000 2.460 68 M HA -0.088 4.386 4.480 -0.010 0.000 0.263 68 M C 1.348 177.415 176.300 -0.388 0.000 1.071 68 M CA 1.047 56.178 55.300 -0.282 0.000 1.096 68 M CB -0.528 31.883 32.600 -0.315 0.000 1.408 68 M HN 0.377 nan 8.290 nan 0.000 0.463 69 D N -0.362 119.860 120.400 -0.297 0.000 2.363 69 D HA -0.113 4.522 4.640 -0.010 0.000 0.226 69 D C 0.649 176.884 176.300 -0.109 0.000 1.020 69 D CA 0.510 54.391 54.000 -0.198 0.000 0.892 69 D CB -0.468 40.300 40.800 -0.054 0.000 0.900 69 D HN 0.432 nan 8.370 nan 0.000 0.531 70 E N 0.400 120.537 120.200 -0.106 0.000 2.501 70 E HA 0.044 4.388 4.350 -0.010 0.000 0.200 70 E C 0.277 177.043 176.600 0.276 0.000 1.016 70 E CA -0.133 56.255 56.400 -0.019 0.000 0.921 70 E CB 0.430 30.181 29.700 0.085 0.000 1.034 70 E HN 0.342 nan 8.360 nan 0.000 0.468 71 T N 0.637 115.315 114.554 0.206 0.000 2.856 71 T HA 0.151 4.495 4.350 -0.010 0.000 0.306 71 T C -2.141 172.759 174.700 0.333 0.000 1.062 71 T CA -1.571 60.691 62.100 0.270 0.000 1.083 71 T CB 0.735 69.713 68.868 0.183 0.000 0.984 71 T HN -0.166 nan 8.240 nan 0.000 0.542 72 P HA 0.224 nan 4.420 nan 0.000 0.272 72 P C -0.699 176.708 177.300 0.178 0.000 1.240 72 P CA -0.340 62.917 63.100 0.261 0.000 0.791 72 P CB 0.530 32.369 31.700 0.231 0.000 0.978 73 Q N -0.744 119.100 119.800 0.073 0.000 2.544 73 Q HA 0.748 5.082 4.340 -0.010 0.000 0.291 73 Q C -1.464 174.404 176.000 -0.220 0.000 1.068 73 Q CA -1.106 54.636 55.803 -0.102 0.000 0.785 73 Q CB 2.759 31.366 28.738 -0.219 0.000 1.481 73 Q HN 0.258 nan 8.270 nan 0.000 0.430 74 V N 0.563 120.262 119.914 -0.359 0.000 2.969 74 V HA 0.403 4.517 4.120 -0.010 0.000 0.304 74 V C -2.022 173.750 176.094 -0.538 0.000 1.192 74 V CA -0.510 61.566 62.300 -0.374 0.000 0.962 74 V CB 1.678 33.370 31.823 -0.218 0.000 1.045 74 V HN 0.758 nan 8.190 nan 0.000 0.428 75 Y N 5.950 125.991 120.300 -0.431 0.000 2.402 75 Y HA 0.504 5.048 4.550 -0.010 0.000 0.333 75 Y C 0.454 176.124 175.900 -0.385 0.000 1.076 75 Y CA 0.056 57.887 58.100 -0.449 0.000 1.299 75 Y CB 1.036 39.285 38.460 -0.350 0.000 1.197 75 Y HN 0.461 nan 8.280 nan 0.000 0.517 76 L N 5.094 125.983 121.223 -0.557 0.000 2.334 76 L HA 0.429 4.763 4.340 -0.010 0.000 0.276 76 L C -0.963 175.712 176.870 -0.324 0.000 1.014 76 L CA -1.156 53.322 54.840 -0.603 0.000 0.815 76 L CB 1.673 42.807 42.059 -1.542 0.000 1.268 76 L HN 0.437 nan 8.230 nan 0.000 0.428 77 L N 2.533 123.843 121.223 0.146 0.000 2.296 77 L HA 0.446 4.780 4.340 -0.010 0.000 0.286 77 L C 0.537 177.645 176.870 0.397 0.000 1.023 77 L CA 0.032 54.965 54.840 0.156 0.000 0.812 77 L CB 1.699 43.757 42.059 -0.001 0.000 1.223 77 L HN 0.740 nan 8.230 nan 0.000 0.421 78 T N 0.612 115.365 114.554 0.332 0.000 2.766 78 T HA 0.247 4.591 4.350 -0.010 0.000 0.295 78 T C 0.183 174.976 174.700 0.155 0.000 1.024 78 T CA -0.732 61.561 62.100 0.322 0.000 1.018 78 T CB 0.293 69.284 68.868 0.205 0.000 1.002 78 T HN 0.552 nan 8.240 nan 0.000 0.532 79 D N 0.558 121.008 120.400 0.084 0.000 2.378 79 D HA 0.140 4.775 4.640 -0.010 0.000 0.238 79 D C 0.459 176.790 176.300 0.052 0.000 1.180 79 D CA 0.062 54.085 54.000 0.039 0.000 0.895 79 D CB 0.339 41.146 40.800 0.012 0.000 1.192 79 D HN 0.449 nan 8.370 nan 0.000 0.438 80 R N 1.072 121.596 120.500 0.041 0.000 2.316 80 R HA 0.226 4.560 4.340 -0.010 0.000 0.314 80 R C -0.224 176.114 176.300 0.064 0.000 1.069 80 R CA -0.267 55.861 56.100 0.046 0.000 0.959 80 R CB 0.511 30.829 30.300 0.029 0.000 0.987 80 R HN 0.272 nan 8.270 nan 0.000 0.446 81 I N 4.708 125.334 120.570 0.094 0.000 2.354 81 I HA 0.152 4.316 4.170 -0.010 0.000 0.292 81 I C -0.046 176.160 176.117 0.149 0.000 0.989 81 I CA -1.110 60.252 61.300 0.102 0.000 1.188 81 I CB 1.265 39.317 38.000 0.085 0.000 1.342 81 I HN 0.435 nan 8.210 nan 0.000 0.457 82 L N 6.313 127.611 121.223 0.124 0.000 2.361 82 L HA 0.469 4.803 4.340 -0.010 0.000 0.278 82 L C 0.530 177.459 176.870 0.099 0.000 1.113 82 L CA 0.112 55.041 54.840 0.149 0.000 0.849 82 L CB 0.785 42.938 42.059 0.158 0.000 1.155 82 L HN 0.737 nan 8.230 nan 0.000 0.452 83 A N 4.562 127.457 122.820 0.126 0.000 2.409 83 A HA 0.334 4.648 4.320 -0.010 0.000 0.262 83 A C 0.572 177.956 177.584 -0.333 0.000 1.113 83 A CA -0.239 51.765 52.037 -0.054 0.000 0.790 83 A CB 0.045 19.045 19.000 -0.001 0.000 1.046 83 A HN 0.894 nan 8.150 nan 0.000 0.496 84 E N 1.004 120.954 120.200 -0.417 0.000 2.538 84 E HA 0.158 4.502 4.350 -0.010 0.000 0.207 84 E C 0.099 176.315 176.600 -0.639 0.000 1.002 84 E CA 0.526 56.451 56.400 -0.791 0.000 0.952 84 E CB 0.287 29.724 29.700 -0.437 0.000 1.031 84 E HN 0.819 nan 8.360 nan 0.000 0.476 85 S N -0.135 115.308 115.700 -0.429 0.000 2.930 85 S HA 0.036 4.501 4.470 -0.010 0.000 0.306 85 S C -0.299 174.164 174.600 -0.229 0.000 1.238 85 S CA -0.588 57.444 58.200 -0.280 0.000 1.000 85 S CB 0.387 63.487 63.200 -0.167 0.000 1.342 85 S HN 0.024 nan 8.310 nan 0.000 0.575 86 D N 1.246 121.553 120.400 -0.155 0.000 2.328 86 D HA 0.176 4.810 4.640 -0.010 0.000 0.226 86 D C 0.703 176.920 176.300 -0.137 0.000 1.066 86 D CA 0.664 54.582 54.000 -0.136 0.000 0.861 86 D CB -0.516 40.231 40.800 -0.089 0.000 0.912 86 D HN 0.767 nan 8.370 nan 0.000 0.521 87 T N -3.345 111.125 114.554 -0.140 0.000 2.906 87 T HA 0.641 4.985 4.350 -0.010 0.000 0.295 87 T C -0.793 173.825 174.700 -0.136 0.000 1.061 87 T CA -0.981 61.047 62.100 -0.120 0.000 1.000 87 T CB 2.381 71.211 68.868 -0.062 0.000 1.103 87 T HN -0.027 nan 8.240 nan 0.000 0.486 88 V N 0.903 120.744 119.914 -0.122 0.000 2.891 88 V HA 0.514 4.628 4.120 -0.010 0.000 0.304 88 V C -1.976 174.101 176.094 -0.028 0.000 1.171 88 V CA -0.735 61.508 62.300 -0.095 0.000 0.943 88 V CB 2.315 34.040 31.823 -0.163 0.000 1.037 88 V HN 1.093 nan 8.190 nan 0.000 0.427 89 D N 5.284 125.690 120.400 0.011 0.000 2.168 89 D HA 0.593 5.227 4.640 -0.010 0.000 0.246 89 D C -0.485 175.803 176.300 -0.019 0.000 1.050 89 D CA 0.240 54.252 54.000 0.019 0.000 0.857 89 D CB 2.038 42.882 40.800 0.074 0.000 1.169 89 D HN 0.507 nan 8.370 nan 0.000 0.453 90 I N 3.466 124.000 120.570 -0.060 0.000 2.420 90 I HA 0.233 4.398 4.170 -0.010 0.000 0.282 90 I C -2.372 173.697 176.117 -0.080 0.000 1.019 90 I CA -2.137 59.134 61.300 -0.049 0.000 1.130 90 I CB 1.883 39.857 38.000 -0.044 0.000 1.262 90 I HN -0.043 nan 8.210 nan 0.000 0.454 91 P HA 0.153 nan 4.420 nan 0.000 0.271 91 P C 0.534 177.795 177.300 -0.065 0.000 1.216 91 P CA -0.102 62.967 63.100 -0.052 0.000 0.771 91 P CB 0.988 32.685 31.700 -0.006 0.000 0.864 92 L N 1.633 122.764 121.223 -0.153 0.000 2.202 92 L HA 0.072 4.406 4.340 -0.010 0.000 0.205 92 L C 1.718 178.598 176.870 0.016 0.000 1.083 92 L CA 1.239 55.883 54.840 -0.327 0.000 0.790 92 L CB -0.302 41.238 42.059 -0.864 0.000 0.942 92 L HN 0.383 nan 8.230 nan 0.000 0.452 93 M N -1.122 118.529 119.600 0.086 0.000 2.313 93 M HA 0.077 4.551 4.480 -0.010 0.000 0.273 93 M C 1.560 178.014 176.300 0.256 0.000 1.049 93 M CA 0.454 55.922 55.300 0.280 0.000 1.004 93 M CB 0.213 32.913 32.600 0.166 0.000 1.461 93 M HN 0.148 nan 8.290 nan 0.000 0.514 94 E N 0.519 120.807 120.200 0.146 0.000 2.267 94 E HA -0.131 4.213 4.350 -0.010 0.000 0.197 94 E C 1.486 178.108 176.600 0.036 0.000 0.998 94 E CA 1.574 58.024 56.400 0.083 0.000 0.830 94 E CB 0.170 29.897 29.700 0.045 0.000 0.751 94 E HN 0.442 nan 8.360 nan 0.000 0.491 95 S N -0.692 114.982 115.700 -0.043 0.000 2.554 95 S HA 0.158 4.622 4.470 -0.010 0.000 0.226 95 S C 0.107 174.431 174.600 -0.460 0.000 0.980 95 S CA -0.560 57.471 58.200 -0.280 0.000 0.939 95 S CB 0.144 63.087 63.200 -0.429 0.000 0.832 95 S HN -0.052 nan 8.310 nan 0.000 0.486 96 F N 0.980 121.022 119.950 0.154 0.000 2.556 96 F HA 0.581 5.102 4.527 -0.010 0.000 0.327 96 F C -0.194 175.778 175.800 0.287 0.000 1.059 96 F CA -1.907 56.212 58.000 0.199 0.000 0.953 96 F CB 0.729 39.849 39.000 0.201 0.000 1.227 96 F HN 0.040 nan 8.300 nan 0.000 0.478 97 F N 2.151 122.301 119.950 0.333 0.000 2.438 97 F HA 0.424 4.945 4.527 -0.010 0.000 0.360 97 F C 0.972 176.919 175.800 0.245 0.000 1.118 97 F CA -1.521 56.631 58.000 0.253 0.000 1.164 97 F CB 0.497 39.652 39.000 0.259 0.000 1.131 97 F HN 0.566 nan 8.300 nan 0.000 0.527 98 A N 4.999 127.974 122.820 0.258 0.000 2.067 98 A HA -0.098 4.216 4.320 -0.010 0.000 0.219 98 A C 1.930 179.437 177.584 -0.128 0.000 1.158 98 A CA 1.206 53.291 52.037 0.080 0.000 0.661 98 A CB -0.467 18.604 19.000 0.120 0.000 0.801 98 A HN 0.773 nan 8.150 nan 0.000 0.452 99 E N -0.827 119.053 120.200 -0.533 0.000 2.358 99 E HA -0.155 4.189 4.350 -0.010 0.000 0.195 99 E C 1.886 178.349 176.600 -0.228 0.000 1.010 99 E CA 0.939 57.043 56.400 -0.494 0.000 0.856 99 E CB 0.010 29.267 29.700 -0.738 0.000 0.795 99 E HN 0.857 nan 8.360 nan 0.000 0.504 100 Q N -0.040 119.588 119.800 -0.286 0.000 2.394 100 Q HA 0.122 4.456 4.340 -0.010 0.000 0.218 100 Q C 0.074 176.111 176.000 0.061 0.000 0.907 100 Q CA 0.212 56.019 55.803 0.007 0.000 0.919 100 Q CB 0.696 29.463 28.738 0.048 0.000 1.051 100 Q HN 0.081 nan 8.270 nan 0.000 0.538 101 L N 1.240 122.498 121.223 0.059 0.000 2.410 101 L HA 0.531 4.865 4.340 -0.010 0.000 0.270 101 L C -1.024 175.905 176.870 0.099 0.000 0.983 101 L CA -0.665 54.217 54.840 0.070 0.000 0.822 101 L CB 2.297 44.380 42.059 0.040 0.000 1.285 101 L HN -0.168 nan 8.230 nan 0.000 0.409 102 K N 3.733 124.209 120.400 0.128 0.000 2.443 102 K HA 0.581 4.895 4.320 -0.010 0.000 0.252 102 K C -2.740 173.982 176.600 0.203 0.000 0.933 102 K CA -1.724 54.664 56.287 0.169 0.000 0.792 102 K CB 2.585 35.200 32.500 0.192 0.000 1.185 102 K HN 0.107 nan 8.250 nan 0.000 0.425 103 P HA -0.002 nan 4.420 nan 0.000 0.268 103 P C -1.165 176.267 177.300 0.220 0.000 1.205 103 P CA -0.319 62.925 63.100 0.241 0.000 0.771 103 P CB 0.453 32.210 31.700 0.095 0.000 0.858 104 N N 2.701 121.468 118.700 0.111 0.000 2.415 104 N HA 0.056 4.790 4.740 -0.010 0.000 0.250 104 N C 0.550 176.202 175.510 0.237 0.000 1.127 104 N CA 0.143 53.147 53.050 -0.077 0.000 0.945 104 N CB -0.074 38.070 38.487 -0.571 0.000 1.196 104 N HN 0.217 nan 8.380 nan 0.000 0.499 105 R N 1.826 122.463 120.500 0.228 0.000 2.300 105 R HA 0.089 4.423 4.340 -0.010 0.000 0.199 105 R C 0.234 176.586 176.300 0.087 0.000 0.920 105 R CA 0.126 56.314 56.100 0.147 0.000 1.046 105 R CB 0.542 30.922 30.300 0.132 0.000 0.984 105 R HN 0.541 nan 8.270 nan 0.000 0.493 106 D N 1.341 121.814 120.400 0.122 0.000 2.137 106 D HA -0.033 4.601 4.640 -0.010 0.000 0.202 106 D C 0.518 176.841 176.300 0.038 0.000 0.970 106 D CA 0.741 54.795 54.000 0.090 0.000 0.837 106 D CB 0.123 41.013 40.800 0.150 0.000 0.981 106 D HN 0.102 nan 8.370 nan 0.000 0.475 107 A N 1.578 124.392 122.820 -0.011 0.000 2.302 107 A HA 0.099 4.413 4.320 -0.010 0.000 0.295 107 A C -0.175 177.440 177.584 0.051 0.000 1.235 107 A CA -0.456 51.545 52.037 -0.060 0.000 0.876 107 A CB 0.434 19.197 19.000 -0.395 0.000 1.133 107 A HN -0.112 nan 8.150 nan 0.000 0.533 108 D N 4.086 124.585 120.400 0.164 0.000 2.899 108 D HA -0.042 4.592 4.640 -0.010 0.000 0.254 108 D C -1.419 174.861 176.300 -0.034 0.000 1.320 108 D CA -0.752 53.297 54.000 0.081 0.000 0.929 108 D CB 0.559 41.428 40.800 0.116 0.000 1.148 108 D HN 0.215 nan 8.370 nan 0.000 0.571 109 P HA -0.156 nan 4.420 nan 0.000 0.217 109 P C 0.655 177.733 177.300 -0.369 0.000 1.148 109 P CA 1.324 63.799 63.100 -1.043 0.000 0.828 109 P CB 0.058 30.939 31.700 -1.364 0.000 0.783 110 H N -1.592 117.355 119.070 -0.204 0.000 2.495 110 H HA -0.002 4.548 4.556 -0.010 0.000 0.287 110 H C 2.019 177.320 175.328 -0.045 0.000 1.033 110 H CA 1.095 57.035 56.048 -0.179 0.000 1.307 110 H CB -0.053 29.487 29.762 -0.371 0.000 1.401 110 H HN 0.092 nan 8.280 nan 0.000 0.555 111 K N -0.240 120.165 120.400 0.008 0.000 2.137 111 K HA -0.072 4.242 4.320 -0.010 0.000 0.202 111 K C 0.589 177.064 176.600 -0.208 0.000 1.052 111 K CA 1.027 57.206 56.287 -0.180 0.000 0.961 111 K CB 0.281 32.531 32.500 -0.416 0.000 0.741 111 K HN 0.292 nan 8.250 nan 0.000 0.452 112 Y N -1.628 118.798 120.300 0.210 0.000 2.462 112 Y HA 0.145 4.689 4.550 -0.010 0.000 0.253 112 Y C 0.231 176.543 175.900 0.687 0.000 1.095 112 Y CA -0.678 57.651 58.100 0.383 0.000 1.283 112 Y CB 0.464 39.127 38.460 0.337 0.000 1.138 112 Y HN 0.012 nan 8.280 nan 0.000 0.522 113 W N 0.735 122.265 121.300 0.383 0.000 2.594 113 W HA 0.623 5.277 4.660 -0.010 0.000 0.365 113 W C -0.358 176.291 176.519 0.216 0.000 1.196 113 W CA -1.841 55.683 57.345 0.298 0.000 1.258 113 W CB 0.397 29.996 29.460 0.231 0.000 1.405 113 W HN -0.311 nan 8.180 nan 0.000 0.640 114 E N 0.133 120.503 120.200 0.284 0.000 2.304 114 E HA 0.469 4.813 4.350 -0.010 0.000 0.277 114 E C -1.844 174.711 176.600 -0.075 0.000 0.898 114 E CA -0.480 56.009 56.400 0.148 0.000 0.764 114 E CB 2.465 32.197 29.700 0.052 0.000 1.216 114 E HN 0.112 nan 8.360 nan 0.000 0.419 115 V N 3.846 123.675 119.914 -0.142 0.000 2.427 115 V HA 0.450 4.564 4.120 -0.010 0.000 0.286 115 V C -0.437 175.671 176.094 0.024 0.000 1.034 115 V CA -0.615 61.565 62.300 -0.200 0.000 0.893 115 V CB 1.629 33.202 31.823 -0.417 0.000 0.982 115 V HN 0.458 nan 8.190 nan 0.000 0.452 116 V N 3.391 123.331 119.914 0.043 0.000 2.540 116 V HA 0.365 4.479 4.120 -0.010 0.000 0.302 116 V C -0.381 175.733 176.094 0.034 0.000 1.035 116 V CA -0.711 61.617 62.300 0.046 0.000 0.873 116 V CB 2.084 33.897 31.823 -0.017 0.000 0.992 116 V HN 0.897 nan 8.190 nan 0.000 0.428 117 D N 4.433 124.826 120.400 -0.012 0.000 2.374 117 D HA 0.146 4.781 4.640 -0.010 0.000 0.240 117 D C 1.229 177.388 176.300 -0.235 0.000 1.229 117 D CA -0.245 53.551 54.000 -0.340 0.000 0.895 117 D CB 0.823 41.544 40.800 -0.132 0.000 1.046 117 D HN 0.301 nan 8.370 nan 0.000 0.498 118 R N 2.189 122.530 120.500 -0.265 0.000 2.148 118 R HA -0.051 4.283 4.340 -0.010 0.000 0.227 118 R C 1.618 177.813 176.300 -0.175 0.000 1.103 118 R CA 0.743 56.743 56.100 -0.166 0.000 0.983 118 R CB -0.624 29.601 30.300 -0.125 0.000 0.874 118 R HN 0.443 nan 8.270 nan 0.000 0.451 119 T N 0.158 114.558 114.554 -0.257 0.000 2.867 119 T HA -0.092 4.252 4.350 -0.010 0.000 0.268 119 T C 1.738 176.285 174.700 -0.255 0.000 1.057 119 T CA 1.925 63.844 62.100 -0.301 0.000 1.136 119 T CB -0.053 68.486 68.868 -0.548 0.000 0.874 119 T HN 0.499 nan 8.240 nan 0.000 0.466 120 T N -2.436 112.006 114.554 -0.186 0.000 2.971 120 T HA 0.467 4.812 4.350 -0.010 0.000 0.252 120 T C 1.825 176.493 174.700 -0.053 0.000 1.022 120 T CA 0.791 62.837 62.100 -0.090 0.000 0.980 120 T CB 0.323 69.187 68.868 -0.007 0.000 1.044 120 T HN 0.442 nan 8.240 nan 0.000 0.501 121 G N 1.500 110.262 108.800 -0.064 0.000 2.179 121 G HA2 -0.209 3.745 3.960 -0.010 0.000 0.260 121 G HA3 -0.209 3.745 3.960 -0.010 0.000 0.260 121 G C -0.148 174.743 174.900 -0.014 0.000 0.977 121 G CA 0.056 45.130 45.100 -0.043 0.000 0.641 121 G HN 0.598 nan 8.290 nan 0.000 0.533 122 E N 0.280 120.486 120.200 0.010 0.000 2.331 122 E HA 0.430 4.774 4.350 -0.010 0.000 0.272 122 E C 0.620 177.260 176.600 0.067 0.000 1.036 122 E CA -0.491 55.936 56.400 0.045 0.000 0.864 122 E CB 1.923 31.665 29.700 0.070 0.000 1.035 122 E HN 0.149 nan 8.360 nan 0.000 0.408 123 V N 3.027 122.987 119.914 0.076 0.000 2.508 123 V HA 0.003 4.117 4.120 -0.010 0.000 0.281 123 V C 0.500 176.690 176.094 0.160 0.000 1.041 123 V CA -0.362 62.003 62.300 0.109 0.000 1.016 123 V CB 1.160 33.044 31.823 0.102 0.000 0.984 123 V HN 0.366 nan 8.190 nan 0.000 0.478 124 V N 4.571 124.613 119.914 0.214 0.000 2.555 124 V HA 0.074 4.188 4.120 -0.010 0.000 0.286 124 V C 0.598 176.874 176.094 0.303 0.000 1.044 124 V CA -0.294 62.165 62.300 0.264 0.000 1.026 124 V CB 1.156 33.164 31.823 0.308 0.000 0.981 124 V HN 0.919 nan 8.190 nan 0.000 0.480 125 D N 3.589 124.121 120.400 0.220 0.000 2.525 125 D HA -0.052 4.582 4.640 -0.010 0.000 0.235 125 D C 1.424 177.841 176.300 0.195 0.000 1.137 125 D CA 0.723 54.825 54.000 0.169 0.000 0.868 125 D CB 1.184 42.041 40.800 0.094 0.000 1.180 125 D HN 0.708 nan 8.370 nan 0.000 0.465 126 S N 2.600 118.373 115.700 0.123 0.000 2.474 126 S HA -0.124 4.340 4.470 -0.010 0.000 0.235 126 S C 1.809 176.200 174.600 -0.348 0.000 0.997 126 S CA 0.597 58.727 58.200 -0.116 0.000 0.949 126 S CB -0.079 63.129 63.200 0.013 0.000 0.766 126 S HN 0.508 nan 8.310 nan 0.000 0.517 127 A N 2.218 124.928 122.820 -0.184 0.000 2.119 127 A HA 0.071 4.386 4.320 -0.010 0.000 0.217 127 A C 1.720 179.244 177.584 -0.100 0.000 1.153 127 A CA 0.933 52.855 52.037 -0.191 0.000 0.692 127 A CB -0.663 18.267 19.000 -0.118 0.000 0.799 127 A HN 0.721 nan 8.150 nan 0.000 0.458 128 N N -0.468 118.232 118.700 0.000 0.000 2.270 128 N HA 0.129 4.863 4.740 -0.010 0.000 0.198 128 N C -0.280 175.374 175.510 0.240 0.000 1.117 128 N CA -0.223 52.886 53.050 0.098 0.000 0.845 128 N CB 0.250 38.811 38.487 0.124 0.000 0.980 128 N HN 0.821 nan 8.380 nan 0.000 0.486 129 W N 0.657 122.036 121.300 0.132 0.000 3.033 129 W HA 0.524 5.178 4.660 -0.010 0.000 0.336 129 W C -1.081 175.580 176.519 0.236 0.000 1.173 129 W CA -0.912 56.523 57.345 0.151 0.000 1.185 129 W CB 0.524 30.058 29.460 0.122 0.000 1.425 129 W HN -0.260 nan 8.180 nan 0.000 0.536 130 T N 0.166 115.029 114.554 0.514 0.000 2.900 130 T HA 0.540 4.884 4.350 -0.010 0.000 0.295 130 T C -1.404 173.551 174.700 0.426 0.000 1.044 130 T CA -0.811 61.518 62.100 0.382 0.000 0.995 130 T CB 2.306 71.321 68.868 0.245 0.000 1.072 130 T HN 0.552 nan 8.240 nan 0.000 0.473 131 L N 2.125 123.534 121.223 0.310 0.000 2.265 131 L HA 0.496 4.830 4.340 -0.010 0.000 0.288 131 L C 0.006 176.975 176.870 0.164 0.000 1.058 131 L CA -0.063 54.904 54.840 0.211 0.000 0.809 131 L CB 0.347 42.480 42.059 0.124 0.000 1.179 131 L HN 0.890 nan 8.230 nan 0.000 0.429 132 D N 3.609 124.083 120.400 0.123 0.000 2.533 132 D HA 0.125 4.759 4.640 -0.010 0.000 0.236 132 D C 1.179 177.549 176.300 0.116 0.000 1.137 132 D CA 0.998 55.104 54.000 0.176 0.000 0.867 132 D CB 1.363 42.251 40.800 0.145 0.000 1.170 132 D HN 0.798 nan 8.370 nan 0.000 0.474 133 A N 3.608 126.493 122.820 0.108 0.000 2.019 133 A HA -0.155 4.159 4.320 -0.010 0.000 0.219 133 A C 1.491 179.112 177.584 0.061 0.000 1.164 133 A CA 1.371 53.450 52.037 0.070 0.000 0.644 133 A CB 0.012 19.044 19.000 0.054 0.000 0.805 133 A HN 0.686 nan 8.150 nan 0.000 0.449 134 D N -1.407 119.034 120.400 0.068 0.000 2.473 134 D HA 0.154 4.788 4.640 -0.010 0.000 0.230 134 D C 0.172 176.503 176.300 0.051 0.000 1.097 134 D CA 0.218 54.251 54.000 0.054 0.000 0.861 134 D CB 0.457 41.286 40.800 0.049 0.000 1.114 134 D HN 0.552 nan 8.370 nan 0.000 0.500 135 E N 0.775 121.009 120.200 0.057 0.000 2.256 135 E HA 0.208 4.552 4.350 -0.010 0.000 0.267 135 E C -1.014 175.597 176.600 0.018 0.000 0.892 135 E CA -0.650 55.773 56.400 0.038 0.000 0.775 135 E CB 1.808 31.533 29.700 0.042 0.000 1.207 135 E HN -0.190 nan 8.360 nan 0.000 0.420 136 D N 2.154 122.554 120.400 -0.000 0.000 2.671 136 D HA 0.124 4.758 4.640 -0.010 0.000 0.228 136 D C -0.914 175.330 176.300 -0.093 0.000 1.102 136 D CA 0.478 54.455 54.000 -0.039 0.000 1.044 136 D CB 0.110 40.880 40.800 -0.050 0.000 1.113 136 D HN 0.135 nan 8.370 nan 0.000 0.480 137 T N -0.178 114.315 114.554 -0.101 0.000 2.971 137 T HA 0.296 4.640 4.350 -0.010 0.000 0.304 137 T C -0.170 174.372 174.700 -0.264 0.000 1.038 137 T CA -0.536 61.453 62.100 -0.185 0.000 1.007 137 T CB 2.363 71.111 68.868 -0.200 0.000 1.055 137 T HN -0.185 nan 8.240 nan 0.000 0.451 138 V N 4.564 124.342 119.914 -0.226 0.000 2.427 138 V HA 0.348 4.462 4.120 -0.010 0.000 0.286 138 V C -0.267 175.700 176.094 -0.212 0.000 1.034 138 V CA -0.793 61.423 62.300 -0.140 0.000 0.893 138 V CB 0.938 32.714 31.823 -0.077 0.000 0.982 138 V HN 0.813 nan 8.190 nan 0.000 0.452 139 H N 3.910 123.060 119.070 0.134 0.000 2.594 139 H HA 0.491 5.041 4.556 -0.010 0.000 0.304 139 H C -0.525 174.879 175.328 0.126 0.000 1.068 139 H CA -0.311 55.793 56.048 0.093 0.000 1.308 139 H CB 1.655 31.465 29.762 0.081 0.000 1.409 139 H HN 0.365 nan 8.280 nan 0.000 0.460 140 V N 3.205 123.202 119.914 0.138 0.000 2.513 140 V HA 0.421 4.535 4.120 -0.010 0.000 0.299 140 V C 0.297 176.396 176.094 0.008 0.000 1.035 140 V CA -0.686 61.663 62.300 0.080 0.000 0.889 140 V CB 1.697 33.468 31.823 -0.088 0.000 0.988 140 V HN 0.921 nan 8.190 nan 0.000 0.440 141 S N 1.504 117.218 115.700 0.024 0.000 2.661 141 S HA 0.797 5.261 4.470 -0.010 0.000 0.285 141 S C 0.517 175.102 174.600 -0.025 0.000 1.138 141 S CA -0.085 58.104 58.200 -0.018 0.000 0.855 141 S CB 1.721 64.926 63.200 0.008 0.000 1.136 141 S HN 2.334 nan 8.310 nan 0.000 0.484 142 G N -0.239 108.538 108.800 -0.040 0.000 2.198 142 G HA2 -0.165 3.789 3.960 -0.010 0.000 0.260 142 G HA3 -0.165 3.789 3.960 -0.010 0.000 0.260 142 G C 0.139 175.014 174.900 -0.040 0.000 1.025 142 G CA 0.349 45.432 45.100 -0.028 0.000 0.769 142 G HN 1.915 nan 8.290 nan 0.000 0.507 143 V N -2.965 116.887 119.914 -0.103 0.000 3.109 143 V HA 0.949 5.063 4.120 -0.010 0.000 0.317 143 V C 0.720 176.750 176.094 -0.107 0.000 1.074 143 V CA -0.652 61.570 62.300 -0.129 0.000 1.033 143 V CB 1.714 33.256 31.823 -0.468 0.000 1.111 143 V HN 1.682 nan 8.190 nan 0.000 0.458 144 A N 1.622 124.396 122.820 -0.077 0.000 2.328 144 A HA 0.805 5.119 4.320 -0.010 0.000 0.284 144 A C 0.594 178.023 177.584 -0.257 0.000 1.160 144 A CA -0.015 51.858 52.037 -0.274 0.000 0.818 144 A CB 0.068 18.629 19.000 -0.732 0.000 1.087 144 A HN 2.079 nan 8.150 nan 0.000 0.504 145 A N 1.602 124.267 122.820 -0.258 0.000 2.483 145 A HA 0.424 4.738 4.320 -0.010 0.000 0.238 145 A C 0.224 177.659 177.584 -0.248 0.000 1.070 145 A CA 0.727 52.492 52.037 -0.454 0.000 0.770 145 A CB -0.858 17.740 19.000 -0.671 0.000 1.008 145 A HN 1.672 nan 8.150 nan 0.000 0.497 146 W N -1.537 119.853 121.300 0.149 0.000 2.560 146 W HA -0.189 4.467 4.660 -0.008 0.000 0.279 146 W C 0.349 177.049 176.519 0.303 0.000 1.090 146 W CA 0.741 58.199 57.345 0.188 0.000 0.535 146 W CB -2.315 27.233 29.460 0.147 0.000 2.121 146 W HN 0.878 nan 8.180 nan 0.000 1.314 147 H N 0.321 119.506 119.070 0.193 0.000 2.525 147 H HA 0.450 5.000 4.556 -0.010 0.000 0.340 147 H C 0.264 175.585 175.328 -0.012 0.000 1.168 147 H CA -0.978 55.091 56.048 0.034 0.000 1.247 147 H CB 1.228 30.928 29.762 -0.104 0.000 1.568 147 H HN -0.055 nan 8.280 nan 0.000 0.536 148 E N 1.577 121.738 120.200 -0.066 0.000 2.216 148 E HA 0.225 4.569 4.350 -0.010 0.000 0.279 148 E C -1.217 175.203 176.600 -0.300 0.000 0.997 148 E CA -0.428 55.943 56.400 -0.049 0.000 0.817 148 E CB 1.413 31.096 29.700 -0.028 0.000 1.096 148 E HN 0.383 nan 8.360 nan 0.000 0.393 149 Y N 0.361 120.687 120.300 0.043 0.000 2.485 149 Y HA 0.374 4.918 4.550 -0.009 0.000 0.345 149 Y C 0.425 176.325 175.900 -0.001 0.000 0.998 149 Y CA -0.696 57.417 58.100 0.021 0.000 1.059 149 Y CB 2.266 40.734 38.460 0.014 0.000 1.234 149 Y HN 0.450 nan 8.280 nan 0.000 0.461 150 T N -1.315 113.304 114.554 0.109 0.000 2.901 150 T HA 0.805 5.149 4.350 -0.010 0.000 0.293 150 T C -1.341 173.360 174.700 0.001 0.000 1.084 150 T CA -0.890 61.241 62.100 0.052 0.000 1.008 150 T CB 1.451 70.332 68.868 0.021 0.000 1.170 150 T HN 0.318 nan 8.240 nan 0.000 0.509 151 V N 1.690 121.595 119.914 -0.014 0.000 2.513 151 V HA 0.593 4.707 4.120 -0.010 0.000 0.299 151 V C -0.072 176.022 176.094 -0.001 0.000 1.035 151 V CA -0.792 61.460 62.300 -0.080 0.000 0.889 151 V CB 1.877 33.612 31.823 -0.148 0.000 0.988 151 V HN 1.078 nan 8.190 nan 0.000 0.440 152 S N 5.555 121.214 115.700 -0.068 0.000 2.448 152 S HA 0.721 5.185 4.470 -0.010 0.000 0.320 152 S C -0.604 173.914 174.600 -0.137 0.000 1.071 152 S CA -0.452 57.687 58.200 -0.103 0.000 1.113 152 S CB 0.286 63.383 63.200 -0.172 0.000 0.972 152 S HN 0.614 nan 8.310 nan 0.000 0.465 153 F N 0.965 120.627 119.950 -0.481 0.000 2.577 153 F HA 0.728 5.249 4.527 -0.010 0.000 0.318 153 F C -0.989 174.358 175.800 -0.754 0.000 1.065 153 F CA -1.546 55.723 58.000 -1.218 0.000 0.929 153 F CB 0.778 38.617 39.000 -1.936 0.000 1.237 153 F HN 0.223 nan 8.300 nan 0.000 0.468 154 L N 2.936 123.733 121.223 -0.711 0.000 2.331 154 L HA 0.662 4.996 4.340 -0.010 0.000 0.278 154 L C -0.003 176.618 176.870 -0.417 0.000 1.106 154 L CA -0.618 53.856 54.840 -0.609 0.000 0.824 154 L CB 1.235 43.074 42.059 -0.368 0.000 1.142 154 L HN 0.967 nan 8.230 nan 0.000 0.443 155 A N 3.582 126.092 122.820 -0.517 0.000 2.371 155 A HA 0.614 4.928 4.320 -0.010 0.000 0.311 155 A C -1.322 176.093 177.584 -0.283 0.000 1.068 155 A CA -0.521 51.328 52.037 -0.313 0.000 0.744 155 A CB 0.777 19.579 19.000 -0.328 0.000 1.239 155 A HN 0.500 nan 8.150 nan 0.000 0.435 156 Y N 1.156 121.430 120.300 -0.043 0.000 2.425 156 Y HA 0.295 4.839 4.550 -0.010 0.000 0.331 156 Y C 0.567 176.455 175.900 -0.019 0.000 1.157 156 Y CA 0.227 58.313 58.100 -0.022 0.000 1.372 156 Y CB 0.483 38.948 38.460 0.009 0.000 1.253 156 Y HN 0.436 nan 8.280 nan 0.000 0.536 157 I N 5.843 126.514 120.570 0.169 0.000 2.291 157 I HA 0.117 4.281 4.170 -0.010 0.000 0.292 157 I C 1.006 177.208 176.117 0.142 0.000 1.064 157 I CA 0.046 61.414 61.300 0.113 0.000 1.269 157 I CB 0.360 38.404 38.000 0.074 0.000 1.418 157 I HN 0.667 nan 8.210 nan 0.000 0.485 158 I N 2.876 123.526 120.570 0.135 0.000 3.883 158 I HA 0.275 4.439 4.170 -0.010 0.000 0.326 158 I C -0.207 176.019 176.117 0.181 0.000 1.283 158 I CA 0.106 61.477 61.300 0.118 0.000 1.161 158 I CB 0.349 38.385 38.000 0.061 0.000 1.012 158 I HN 0.456 nan 8.210 nan 0.000 0.421 159 W N 2.900 124.178 121.300 -0.037 0.000 2.968 159 W HA 0.372 5.026 4.660 -0.010 0.000 0.337 159 W C -1.158 175.316 176.519 -0.075 0.000 1.060 159 W CA -1.899 55.408 57.345 -0.063 0.000 1.240 159 W CB 1.246 30.615 29.460 -0.153 0.000 1.370 159 W HN 0.032 nan 8.180 nan 0.000 0.459 160 D N 6.908 127.456 120.400 0.246 0.000 2.472 160 D HA 0.039 4.673 4.640 -0.010 0.000 0.248 160 D C -1.396 174.803 176.300 -0.167 0.000 1.174 160 D CA -0.209 53.803 54.000 0.020 0.000 0.883 160 D CB 1.691 42.500 40.800 0.015 0.000 1.149 160 D HN 0.017 nan 8.370 nan 0.000 0.488 161 P HA -0.191 nan 4.420 nan 0.000 0.216 161 P C 1.301 178.405 177.300 -0.327 0.000 1.153 161 P CA 0.618 63.539 63.100 -0.298 0.000 0.858 161 P CB 0.219 31.778 31.700 -0.235 0.000 0.789 162 V N -0.065 119.706 119.914 -0.237 0.000 2.323 162 V HA -0.171 3.943 4.120 -0.010 0.000 0.244 162 V C 2.496 178.519 176.094 -0.119 0.000 1.041 162 V CA 1.588 63.795 62.300 -0.155 0.000 1.025 162 V CB -1.046 30.706 31.823 -0.118 0.000 0.656 162 V HN 0.151 nan 8.190 nan 0.000 0.451 163 E N 0.114 120.241 120.200 -0.122 0.000 2.085 163 E HA -0.276 4.068 4.350 -0.010 0.000 0.194 163 E C 2.196 178.712 176.600 -0.139 0.000 0.994 163 E CA 1.938 58.332 56.400 -0.011 0.000 0.801 163 E CB -0.173 29.594 29.700 0.112 0.000 0.743 163 E HN 0.583 nan 8.360 nan 0.000 0.453 164 M N -0.247 118.985 119.600 -0.613 0.000 2.065 164 M HA -0.249 4.225 4.480 -0.010 0.000 0.259 164 M C 2.343 178.149 176.300 -0.824 0.000 1.069 164 M CA 1.833 56.303 55.300 -1.382 0.000 1.110 164 M CB -0.518 30.866 32.600 -2.027 0.000 1.328 164 M HN 0.153 nan 8.290 nan 0.000 0.405 165 Y N 1.414 121.289 120.300 -0.707 0.000 2.081 165 Y HA -0.335 4.209 4.550 -0.010 0.000 0.280 165 Y C 1.704 177.376 175.900 -0.381 0.000 1.163 165 Y CA 2.700 60.511 58.100 -0.482 0.000 1.135 165 Y CB -0.882 37.409 38.460 -0.282 0.000 0.970 165 Y HN 0.468 nan 8.280 nan 0.000 0.498 166 N N -1.415 117.028 118.700 -0.427 0.000 2.120 166 N HA -0.251 4.483 4.740 -0.010 0.000 0.188 166 N C 1.782 176.635 175.510 -1.096 0.000 1.024 166 N CA 1.190 53.843 53.050 -0.661 0.000 0.852 166 N CB -0.434 37.820 38.487 -0.388 0.000 1.003 166 N HN 0.556 nan 8.380 nan 0.000 0.424 167 H N 0.794 119.313 119.070 -0.918 0.000 2.290 167 H HA -0.039 4.511 4.556 -0.010 0.000 0.298 167 H C 1.966 176.984 175.328 -0.518 0.000 1.087 167 H CA 1.474 57.121 56.048 -0.668 0.000 1.291 167 H CB -0.038 29.820 29.762 0.160 0.000 1.369 167 H HN 0.106 nan 8.280 nan 0.000 0.492 168 L N -0.507 120.588 121.223 -0.213 0.000 2.056 168 L HA -0.145 4.189 4.340 -0.010 0.000 0.207 168 L C 2.559 179.255 176.870 -0.291 0.000 1.078 168 L CA 1.560 56.304 54.840 -0.161 0.000 0.749 168 L CB -0.458 41.476 42.059 -0.208 0.000 0.901 168 L HN 0.376 nan 8.230 nan 0.000 0.433 169 T N -0.593 113.656 114.554 -0.509 0.000 2.821 169 T HA -0.136 4.208 4.350 -0.010 0.000 0.267 169 T C 1.332 175.841 174.700 -0.319 0.000 1.046 169 T CA 1.551 63.373 62.100 -0.464 0.000 1.139 169 T CB -0.283 68.134 68.868 -0.751 0.000 0.871 169 T HN 0.365 nan 8.240 nan 0.000 0.454 170 N N 0.744 119.160 118.700 -0.473 0.000 2.270 170 N HA 0.078 4.812 4.740 -0.010 0.000 0.198 170 N C -0.336 175.022 175.510 -0.253 0.000 1.117 170 N CA -0.050 52.792 53.050 -0.346 0.000 0.845 170 N CB 0.248 38.447 38.487 -0.480 0.000 0.980 170 N HN 0.073 nan 8.380 nan 0.000 0.486 171 D N -0.136 120.122 120.400 -0.237 0.000 2.890 171 D HA -0.189 4.445 4.640 -0.010 0.000 0.226 171 D C -0.416 175.878 176.300 -0.011 0.000 1.207 171 D CA 0.239 54.190 54.000 -0.082 0.000 0.764 171 D CB -0.638 40.162 40.800 0.001 0.000 0.948 171 D HN 0.371 nan 8.370 nan 0.000 0.404 172 W N 1.275 122.363 121.300 -0.354 0.000 3.077 172 W HA 0.250 4.904 4.660 -0.009 0.000 0.245 172 W C 2.100 178.447 176.519 -0.286 0.000 1.316 172 W CA 0.528 57.622 57.345 -0.419 0.000 1.537 172 W CB -0.913 28.193 29.460 -0.590 0.000 1.131 172 W HN 0.551 nan 8.180 nan 0.000 0.695 173 G N 1.709 110.566 108.800 0.096 0.000 2.698 173 G HA2 -0.449 3.505 3.960 -0.010 0.000 0.337 173 G HA3 -0.449 3.505 3.960 -0.010 0.000 0.337 173 G C 1.009 176.127 174.900 0.364 0.000 1.196 173 G CA 1.365 46.618 45.100 0.256 0.000 0.965 173 G HN 0.206 nan 8.290 nan 0.000 0.550 174 D N 1.576 122.110 120.400 0.224 0.000 2.347 174 D HA 0.084 4.718 4.640 -0.010 0.000 0.213 174 D C 1.436 177.841 176.300 0.174 0.000 0.985 174 D CA 0.588 54.687 54.000 0.166 0.000 0.879 174 D CB -0.030 40.819 40.800 0.081 0.000 0.919 174 D HN 0.529 nan 8.370 nan 0.000 0.526 175 K N 1.930 122.479 120.400 0.248 0.000 2.504 175 K HA -0.123 4.191 4.320 -0.010 0.000 0.278 175 K C 0.307 177.067 176.600 0.266 0.000 1.025 175 K CA 0.110 56.528 56.287 0.218 0.000 1.093 175 K CB 0.366 32.987 32.500 0.202 0.000 0.873 175 K HN 0.003 nan 8.250 nan 0.000 0.483 176 E N 3.764 124.016 120.200 0.087 0.000 2.608 176 E HA -0.127 4.217 4.350 -0.010 0.000 0.259 176 E C -0.835 175.814 176.600 0.082 0.000 0.951 176 E CA 0.274 56.665 56.400 -0.015 0.000 0.945 176 E CB 0.333 30.013 29.700 -0.033 0.000 0.916 176 E HN 0.539 nan 8.360 nan 0.000 0.477 177 H N 3.882 122.768 119.070 -0.306 0.000 2.767 177 H HA 0.088 4.638 4.556 -0.010 0.000 0.316 177 H C -0.242 174.941 175.328 -0.242 0.000 1.059 177 H CA -0.574 55.127 56.048 -0.577 0.000 1.461 177 H CB 0.631 29.469 29.762 -1.541 0.000 1.475 177 H HN 0.461 nan 8.280 nan 0.000 0.531 178 E N 3.945 124.242 120.200 0.162 0.000 2.257 178 E HA 0.094 4.438 4.350 -0.010 0.000 0.278 178 E C -0.154 176.573 176.600 0.212 0.000 1.049 178 E CA -0.193 56.312 56.400 0.175 0.000 0.876 178 E CB 1.000 30.798 29.700 0.164 0.000 1.035 178 E HN 0.419 nan 8.360 nan 0.000 0.419 179 I N 6.407 127.074 120.570 0.162 0.000 2.371 179 I HA 0.178 4.342 4.170 -0.010 0.000 0.290 179 I C -1.917 174.325 176.117 0.209 0.000 1.028 179 I CA -2.022 59.383 61.300 0.175 0.000 1.345 179 I CB 0.657 38.740 38.000 0.139 0.000 1.407 179 I HN 0.257 nan 8.210 nan 0.000 0.501 180 P HA 0.396 nan 4.420 nan 0.000 0.278 180 P C -1.210 176.177 177.300 0.146 0.000 1.258 180 P CA -0.282 62.810 63.100 -0.015 0.000 0.811 180 P CB 0.887 32.577 31.700 -0.016 0.000 1.063 181 F N -1.861 118.209 119.950 0.200 0.000 2.603 181 F HA 0.662 5.183 4.527 -0.010 0.000 0.317 181 F C -0.645 175.293 175.800 0.230 0.000 1.066 181 F CA -1.218 56.928 58.000 0.244 0.000 0.941 181 F CB 1.161 40.359 39.000 0.331 0.000 1.291 181 F HN 0.053 nan 8.300 nan 0.000 0.472 182 D N 1.939 122.631 120.400 0.488 0.000 2.440 182 D HA 0.289 4.923 4.640 -0.010 0.000 0.239 182 D C 0.570 177.090 176.300 0.366 0.000 1.084 182 D CA -0.635 53.580 54.000 0.358 0.000 0.843 182 D CB 1.348 42.398 40.800 0.417 0.000 1.097 182 D HN 0.695 nan 8.370 nan 0.000 0.531 183 I N 1.595 122.304 120.570 0.231 0.000 3.334 183 I HA -0.005 4.159 4.170 -0.010 0.000 0.282 183 I C 1.302 177.586 176.117 0.279 0.000 1.313 183 I CA 0.193 61.611 61.300 0.197 0.000 1.396 183 I CB -0.385 37.575 38.000 -0.068 0.000 1.054 183 I HN 0.278 nan 8.210 nan 0.000 0.495 184 Y N 2.061 122.374 120.300 0.021 0.000 2.256 184 Y HA -0.142 4.403 4.550 -0.010 0.000 0.288 184 Y C 1.431 177.184 175.900 -0.244 0.000 1.155 184 Y CA 1.180 59.069 58.100 -0.351 0.000 1.203 184 Y CB -0.161 37.952 38.460 -0.578 0.000 0.980 184 Y HN 0.302 nan 8.280 nan 0.000 0.530 185 H N 0.801 120.005 119.070 0.224 0.000 2.646 185 H HA 0.099 4.649 4.556 -0.010 0.000 0.325 185 H C -1.586 173.823 175.328 0.135 0.000 1.075 185 H CA -2.066 54.087 56.048 0.175 0.000 1.421 185 H CB 0.824 30.722 29.762 0.227 0.000 1.461 185 H HN 0.128 nan 8.280 nan 0.000 0.525 186 P HA -0.114 nan 4.420 nan 0.000 0.217 186 P C 1.365 178.757 177.300 0.154 0.000 1.150 186 P CA 1.444 64.623 63.100 0.132 0.000 0.832 186 P CB 0.189 31.945 31.700 0.094 0.000 0.787 187 A N -0.399 122.541 122.820 0.199 0.000 1.865 187 A HA -0.193 4.121 4.320 -0.010 0.000 0.217 187 A C 2.332 180.043 177.584 0.213 0.000 1.191 187 A CA 2.651 54.825 52.037 0.228 0.000 0.623 187 A CB -1.967 17.178 19.000 0.241 0.000 0.826 187 A HN 0.163 nan 8.150 nan 0.000 0.444 188 T N -1.018 113.730 114.554 0.323 0.000 2.788 188 T HA -0.131 4.213 4.350 -0.010 0.000 0.268 188 T C 2.066 176.806 174.700 0.068 0.000 1.044 188 T CA 1.548 63.785 62.100 0.228 0.000 1.139 188 T CB -0.214 68.937 68.868 0.471 0.000 0.867 188 T HN 0.541 nan 8.240 nan 0.000 0.454 189 R N 1.052 121.634 120.500 0.137 0.000 2.081 189 R HA -0.055 4.279 4.340 -0.010 0.000 0.235 189 R C 2.482 178.864 176.300 0.136 0.000 1.131 189 R CA 1.457 57.632 56.100 0.126 0.000 0.960 189 R CB -0.104 30.299 30.300 0.173 0.000 0.856 189 R HN 0.243 nan 8.270 nan 0.000 0.436 190 K N -0.380 120.066 120.400 0.077 0.000 2.057 190 K HA -0.188 4.127 4.320 -0.010 0.000 0.206 190 K C 1.945 178.491 176.600 -0.090 0.000 1.050 190 K CA 1.483 57.796 56.287 0.043 0.000 0.935 190 K CB -0.268 32.247 32.500 0.026 0.000 0.715 190 K HN 0.159 nan 8.250 nan 0.000 0.439 191 F N 1.563 121.233 119.950 -0.467 0.000 2.095 191 F HA -0.229 4.292 4.527 -0.010 0.000 0.298 191 F C 1.848 177.375 175.800 -0.455 0.000 1.104 191 F CA 1.410 58.959 58.000 -0.753 0.000 1.232 191 F CB -0.411 37.474 39.000 -1.859 0.000 0.987 191 F HN -0.203 nan 8.300 nan 0.000 0.475 192 V N -0.081 119.604 119.914 -0.381 0.000 2.295 192 V HA -0.308 3.806 4.120 -0.010 0.000 0.246 192 V C 2.276 178.210 176.094 -0.266 0.000 1.049 192 V CA 2.148 64.272 62.300 -0.293 0.000 1.024 192 V CB -0.922 30.837 31.823 -0.106 0.000 0.648 192 V HN 0.293 nan 8.190 nan 0.000 0.447 193 F N 0.372 120.277 119.950 -0.074 0.000 2.206 193 F HA -0.081 4.440 4.527 -0.010 0.000 0.298 193 F C 2.250 178.031 175.800 -0.031 0.000 1.090 193 F CA 1.453 59.458 58.000 0.007 0.000 1.323 193 F CB -0.608 38.385 39.000 -0.012 0.000 1.028 193 F HN 0.186 nan 8.300 nan 0.000 0.492 194 D N -0.456 119.955 120.400 0.018 0.000 2.097 194 D HA -0.136 4.498 4.640 -0.010 0.000 0.195 194 D C 2.294 178.518 176.300 -0.127 0.000 0.989 194 D CA 1.849 55.808 54.000 -0.068 0.000 0.827 194 D CB -0.787 39.934 40.800 -0.131 0.000 0.966 194 D HN 0.151 nan 8.370 nan 0.000 0.456 195 T N 0.424 114.779 114.554 -0.332 0.000 2.746 195 T HA -0.162 4.182 4.350 -0.010 0.000 0.267 195 T C 1.675 176.420 174.700 0.074 0.000 1.039 195 T CA 0.679 62.597 62.100 -0.303 0.000 1.142 195 T CB -0.404 67.991 68.868 -0.788 0.000 0.866 195 T HN 0.093 nan 8.240 nan 0.000 0.444 196 F N 1.900 121.833 119.950 -0.029 0.000 2.146 196 F HA 0.015 4.537 4.527 -0.010 0.000 0.298 196 F C 2.377 178.235 175.800 0.096 0.000 1.096 196 F CA 1.180 59.192 58.000 0.020 0.000 1.275 196 F CB -0.411 38.545 39.000 -0.074 0.000 1.008 196 F HN 0.173 nan 8.300 nan 0.000 0.480 197 E N -0.360 119.835 120.200 -0.010 0.000 2.085 197 E HA -0.340 4.004 4.350 -0.010 0.000 0.194 197 E C 2.187 178.731 176.600 -0.093 0.000 0.994 197 E CA 1.540 57.879 56.400 -0.102 0.000 0.801 197 E CB -0.213 29.483 29.700 -0.007 0.000 0.743 197 E HN 0.453 nan 8.360 nan 0.000 0.453 198 Q N -0.156 119.634 119.800 -0.017 0.000 2.083 198 Q HA -0.162 4.172 4.340 -0.010 0.000 0.198 198 Q C 1.634 177.658 176.000 0.041 0.000 0.969 198 Q CA 1.897 57.703 55.803 0.005 0.000 0.838 198 Q CB -0.687 28.067 28.738 0.026 0.000 0.900 198 Q HN 0.501 nan 8.270 nan 0.000 0.436 199 W N 0.228 121.480 121.300 -0.080 0.000 2.338 199 W HA -0.176 4.479 4.660 -0.010 0.000 0.304 199 W C 1.373 177.803 176.519 -0.150 0.000 1.212 199 W CA 1.624 58.951 57.345 -0.030 0.000 1.264 199 W CB -0.212 29.335 29.460 0.144 0.000 1.142 199 W HN 0.211 nan 8.180 nan 0.000 0.512 200 L N 0.619 121.763 121.223 -0.131 0.000 2.079 200 L HA -0.256 4.079 4.340 -0.010 0.000 0.210 200 L C 2.616 179.317 176.870 -0.282 0.000 1.081 200 L CA 1.648 56.299 54.840 -0.314 0.000 0.752 200 L CB -0.826 41.003 42.059 -0.384 0.000 0.896 200 L HN -0.046 nan 8.230 nan 0.000 0.433 201 K N -0.222 120.061 120.400 -0.196 0.000 2.057 201 K HA -0.153 4.161 4.320 -0.010 0.000 0.206 201 K C 1.320 177.819 176.600 -0.169 0.000 1.050 201 K CA 1.313 57.511 56.287 -0.148 0.000 0.935 201 K CB -0.071 32.372 32.500 -0.094 0.000 0.715 201 K HN 0.269 nan 8.250 nan 0.000 0.439 202 D N 0.008 120.289 120.400 -0.199 0.000 2.363 202 D HA -0.011 4.623 4.640 -0.010 0.000 0.226 202 D C -0.033 176.071 176.300 -0.327 0.000 1.020 202 D CA 0.603 54.478 54.000 -0.208 0.000 0.892 202 D CB 0.412 41.125 40.800 -0.145 0.000 0.900 202 D HN -0.086 nan 8.370 nan 0.000 0.531 203 S N 1.109 116.537 115.700 -0.453 0.000 2.384 203 S HA 0.153 4.617 4.470 -0.010 0.000 0.227 203 S C -1.761 172.640 174.600 -0.332 0.000 1.257 203 S CA -0.878 57.004 58.200 -0.531 0.000 1.249 203 S CB 1.384 63.937 63.200 -1.079 0.000 1.018 203 S HN 0.130 nan 8.310 nan 0.000 0.478 204 P HA -0.132 nan 4.420 nan 0.000 0.222 204 P C 0.761 177.999 177.300 -0.102 0.000 1.147 204 P CA 1.095 64.113 63.100 -0.137 0.000 0.790 204 P CB 0.075 31.716 31.700 -0.099 0.000 0.780 205 Q N -1.137 118.601 119.800 -0.103 0.000 2.392 205 Q HA 0.120 4.454 4.340 -0.010 0.000 0.203 205 Q C 0.524 176.501 176.000 -0.039 0.000 0.917 205 Q CA 0.414 56.183 55.803 -0.056 0.000 0.939 205 Q CB -1.474 27.240 28.738 -0.040 0.000 1.063 205 Q HN 0.002 nan 8.270 nan 0.000 0.516 206 T N 1.969 116.475 114.554 -0.081 0.000 2.851 206 T HA 0.094 4.438 4.350 -0.010 0.000 0.298 206 T C 0.033 174.739 174.700 0.010 0.000 0.977 206 T CA -0.215 61.868 62.100 -0.028 0.000 1.126 206 T CB 0.782 69.595 68.868 -0.092 0.000 0.916 206 T HN 0.186 nan 8.240 nan 0.000 0.529 207 D N 1.599 122.042 120.400 0.072 0.000 2.379 207 D HA 0.120 4.755 4.640 -0.010 0.000 0.218 207 D C 0.222 176.573 176.300 0.085 0.000 1.006 207 D CA 0.543 54.593 54.000 0.082 0.000 0.893 207 D CB 0.734 41.600 40.800 0.111 0.000 1.019 207 D HN 0.261 nan 8.370 nan 0.000 0.503 208 V N 2.146 122.099 119.914 0.065 0.000 2.483 208 V HA 0.222 4.336 4.120 -0.010 0.000 0.297 208 V C -0.082 175.959 176.094 -0.089 0.000 1.027 208 V CA -0.811 61.452 62.300 -0.061 0.000 0.855 208 V CB 2.526 34.138 31.823 -0.352 0.000 0.995 208 V HN -0.218 nan 8.190 nan 0.000 0.424 209 V N 5.397 125.252 119.914 -0.099 0.000 2.389 209 V HA 0.370 4.484 4.120 -0.010 0.000 0.264 209 V C 0.633 176.442 176.094 -0.475 0.000 1.049 209 V CA -0.415 61.715 62.300 -0.284 0.000 0.932 209 V CB 0.865 32.417 31.823 -0.452 0.000 1.011 209 V HN 0.813 nan 8.190 nan 0.000 0.475 210 R N 5.021 125.267 120.500 -0.424 0.000 2.565 210 R HA 0.317 4.651 4.340 -0.010 0.000 0.286 210 R C -0.960 175.085 176.300 -0.424 0.000 1.256 210 R CA -0.544 55.354 56.100 -0.337 0.000 1.238 210 R CB 0.009 30.190 30.300 -0.199 0.000 1.153 210 R HN 0.532 nan 8.270 nan 0.000 0.553 211 F N 2.138 121.900 119.950 -0.312 0.000 2.519 211 F HA 0.074 4.595 4.527 -0.010 0.000 0.375 211 F C 0.739 176.265 175.800 -0.457 0.000 1.084 211 F CA 0.590 58.285 58.000 -0.510 0.000 1.147 211 F CB 1.273 39.748 39.000 -0.876 0.000 1.088 211 F HN 0.247 nan 8.300 nan 0.000 0.555 212 T N 2.204 116.639 114.554 -0.198 0.000 3.466 212 T HA 0.285 4.629 4.350 -0.010 0.000 0.297 212 T C 0.435 175.199 174.700 0.107 0.000 1.640 212 T CA -0.369 61.725 62.100 -0.009 0.000 1.631 212 T CB 0.531 69.374 68.868 -0.041 0.000 0.928 212 T HN 0.597 nan 8.240 nan 0.000 0.688 213 T N 0.003 114.554 114.554 -0.005 0.000 2.614 213 T HA 0.526 4.870 4.350 -0.010 0.000 0.163 213 T C 0.027 174.347 174.700 -0.633 0.000 0.806 213 T CA -0.039 61.918 62.100 -0.239 0.000 1.020 213 T CB 0.181 69.051 68.868 0.003 0.000 2.539 213 T HN 0.190 nan 8.240 nan 0.000 0.380 214 F N -0.617 119.197 119.950 -0.227 0.000 2.126 214 F HA 0.528 5.049 4.527 -0.010 0.000 0.203 214 F C 1.134 176.521 175.800 -0.689 0.000 1.230 214 F CA -0.503 57.044 58.000 -0.755 0.000 1.271 214 F CB -0.190 38.213 39.000 -0.995 0.000 1.758 214 F HN 0.187 nan 8.300 nan 0.000 0.304 215 F N -2.162 117.841 119.950 0.087 0.000 2.712 215 F HA 0.286 4.807 4.527 -0.010 0.000 0.297 215 F C -0.734 174.753 175.800 -0.521 0.000 1.114 215 F CA -0.634 57.220 58.000 -0.243 0.000 1.305 215 F CB -0.120 38.682 39.000 -0.330 0.000 1.086 215 F HN -0.122 nan 8.300 nan 0.000 0.599 216 Y N 0.763 121.212 120.300 0.248 0.000 2.346 216 Y HA 0.497 5.041 4.550 -0.010 0.000 0.332 216 Y C -0.085 175.863 175.900 0.079 0.000 0.985 216 Y CA -1.819 56.374 58.100 0.156 0.000 1.112 216 Y CB 1.207 39.762 38.460 0.157 0.000 1.170 216 Y HN -0.207 nan 8.280 nan 0.000 0.447 217 Q N 3.726 123.631 119.800 0.175 0.000 2.332 217 Q HA 0.298 4.632 4.340 -0.010 0.000 0.263 217 Q C -0.667 175.344 176.000 0.019 0.000 0.979 217 Q CA -0.526 55.291 55.803 0.022 0.000 0.885 217 Q CB 0.286 28.966 28.738 -0.097 0.000 1.218 217 Q HN 0.460 nan 8.270 nan 0.000 0.405 218 F N 0.802 120.798 119.950 0.077 0.000 2.553 218 F HA 0.282 4.803 4.527 -0.010 0.000 0.356 218 F C 0.326 176.167 175.800 0.068 0.000 1.142 218 F CA -0.835 57.184 58.000 0.032 0.000 1.322 218 F CB -0.319 38.708 39.000 0.045 0.000 1.126 218 F HN 0.408 nan 8.300 nan 0.000 0.599 219 T N 4.957 119.681 114.554 0.282 0.000 2.750 219 T HA 0.224 4.568 4.350 -0.010 0.000 0.277 219 T C -0.421 174.384 174.700 0.174 0.000 0.996 219 T CA 0.375 62.579 62.100 0.173 0.000 1.195 219 T CB -0.249 68.725 68.868 0.177 0.000 0.963 219 T HN 0.615 nan 8.240 nan 0.000 0.516 220 L N 6.043 127.283 121.223 0.028 0.000 2.595 220 L HA 0.472 4.806 4.340 -0.010 0.000 0.259 220 L C -1.402 175.538 176.870 0.117 0.000 1.033 220 L CA -0.157 54.719 54.840 0.060 0.000 0.901 220 L CB 0.781 42.763 42.059 -0.129 0.000 1.151 220 L HN 0.564 nan 8.230 nan 0.000 0.453 221 L N 3.644 124.957 121.223 0.151 0.000 2.365 221 L HA 0.613 4.947 4.340 -0.010 0.000 0.273 221 L C -0.862 176.201 176.870 0.321 0.000 1.000 221 L CA -0.572 54.396 54.840 0.214 0.000 0.819 221 L CB 1.943 44.051 42.059 0.082 0.000 1.284 221 L HN 0.261 nan 8.230 nan 0.000 0.418 222 F N 0.557 120.580 119.950 0.122 0.000 2.483 222 F HA 0.394 4.915 4.527 -0.009 0.000 0.329 222 F C 0.372 176.264 175.800 0.152 0.000 1.064 222 F CA -0.875 57.183 58.000 0.097 0.000 0.986 222 F CB 1.525 40.579 39.000 0.090 0.000 1.218 222 F HN 0.532 nan 8.300 nan 0.000 0.484 223 D N -0.212 120.233 120.400 0.076 0.000 2.549 223 D HA 0.129 4.763 4.640 -0.010 0.000 0.270 223 D C 0.764 177.103 176.300 0.066 0.000 1.181 223 D CA -0.426 53.589 54.000 0.025 0.000 1.070 223 D CB 0.185 40.912 40.800 -0.121 0.000 1.154 223 D HN 0.535 nan 8.370 nan 0.000 0.602 224 E N 0.094 120.328 120.200 0.057 0.000 2.409 224 E HA -0.203 4.141 4.350 -0.010 0.000 0.198 224 E C 0.398 177.015 176.600 0.027 0.000 1.024 224 E CA 0.920 57.389 56.400 0.115 0.000 0.861 224 E CB -0.285 29.469 29.700 0.091 0.000 0.788 224 E HN 0.541 nan 8.360 nan 0.000 0.521 225 K N 0.748 121.110 120.400 -0.062 0.000 2.437 225 K HA 0.228 4.543 4.320 -0.010 0.000 0.205 225 K C -0.164 176.325 176.600 -0.186 0.000 1.026 225 K CA -0.169 56.063 56.287 -0.091 0.000 1.153 225 K CB 0.290 32.745 32.500 -0.074 0.000 0.863 225 K HN 0.028 nan 8.250 nan 0.000 0.502 226 R N 0.499 120.774 120.500 -0.375 0.000 3.776 226 R HA -0.191 4.143 4.340 -0.010 0.000 0.312 226 R C -0.687 175.518 176.300 -0.159 0.000 1.181 226 R CA 0.740 56.503 56.100 -0.562 0.000 0.836 226 R CB -1.955 28.070 30.300 -0.459 0.000 1.324 226 R HN 0.241 nan 8.270 nan 0.000 0.501 227 R N 1.039 121.400 120.500 -0.231 0.000 2.787 227 R HA 0.310 4.644 4.340 -0.010 0.000 0.271 227 R C 0.021 175.756 176.300 -0.942 0.000 0.993 227 R CA -1.040 54.825 56.100 -0.391 0.000 0.993 227 R CB 1.065 31.205 30.300 -0.267 0.000 1.155 227 R HN 0.122 nan 8.270 nan 0.000 0.486 228 E N 1.842 121.275 120.200 -1.278 0.000 2.452 228 E HA -0.128 4.216 4.350 -0.010 0.000 0.261 228 E C 0.088 176.345 176.600 -0.572 0.000 0.987 228 E CA 0.419 56.041 56.400 -1.297 0.000 0.926 228 E CB 0.771 30.042 29.700 -0.714 0.000 0.934 228 E HN 0.468 nan 8.360 nan 0.000 0.452 229 K N 2.731 122.903 120.400 -0.381 0.000 2.286 229 K HA 0.142 4.456 4.320 -0.010 0.000 0.203 229 K C -0.516 175.997 176.600 -0.145 0.000 1.078 229 K CA 0.291 56.459 56.287 -0.199 0.000 0.957 229 K CB 0.846 33.280 32.500 -0.110 0.000 1.018 229 K HN 0.365 nan 8.250 nan 0.000 0.484 230 V N 1.442 121.278 119.914 -0.130 0.000 2.686 230 V HA 0.464 4.578 4.120 -0.010 0.000 0.306 230 V C -1.289 174.778 176.094 -0.044 0.000 1.065 230 V CA -0.960 61.259 62.300 -0.136 0.000 0.894 230 V CB 1.710 33.314 31.823 -0.364 0.000 1.004 230 V HN -0.036 nan 8.190 nan 0.000 0.424 231 V N 3.023 122.952 119.914 0.025 0.000 2.851 231 V HA 0.816 4.930 4.120 -0.010 0.000 0.307 231 V C -2.099 174.102 176.094 0.178 0.000 1.129 231 V CA -0.134 62.250 62.300 0.140 0.000 0.932 231 V CB 2.280 34.188 31.823 0.141 0.000 1.024 231 V HN 1.036 nan 8.190 nan 0.000 0.426 232 D N 4.241 124.802 120.400 0.268 0.000 2.764 232 D HA 0.149 4.783 4.640 -0.010 0.000 0.227 232 D C -0.064 176.366 176.300 0.217 0.000 1.347 232 D CA -0.419 53.735 54.000 0.257 0.000 0.953 232 D CB 1.312 42.286 40.800 0.290 0.000 1.476 232 D HN 0.589 nan 8.370 nan 0.000 0.585 233 W N 4.067 125.176 121.300 -0.317 0.000 2.468 233 W HA -0.032 4.622 4.660 -0.010 0.000 0.262 233 W C 0.621 176.866 176.519 -0.457 0.000 1.241 233 W CA 0.869 57.744 57.345 -0.783 0.000 1.232 233 W CB -0.159 28.710 29.460 -0.984 0.000 1.124 233 W HN 0.388 nan 8.180 nan 0.000 0.597 234 F N -0.432 119.595 119.950 0.129 0.000 2.695 234 F HA 0.407 4.928 4.527 -0.010 0.000 0.303 234 F C 1.716 177.462 175.800 -0.089 0.000 1.091 234 F CA 0.008 57.947 58.000 -0.100 0.000 1.300 234 F CB -0.908 38.026 39.000 -0.110 0.000 1.071 234 F HN -0.256 nan 8.300 nan 0.000 0.578 235 G N -0.500 108.411 108.800 0.185 0.000 2.406 235 G HA2 0.208 4.162 3.960 -0.010 0.000 0.251 235 G HA3 0.208 4.162 3.960 -0.010 0.000 0.251 235 G C 0.185 175.177 174.900 0.154 0.000 1.271 235 G CA -0.304 44.917 45.100 0.202 0.000 0.859 235 G HN 0.370 nan 8.290 nan 0.000 0.540 236 C N 2.635 122.044 119.300 0.180 0.000 2.614 236 C HA 0.342 4.796 4.460 -0.010 0.000 0.299 236 C C 2.575 177.693 174.990 0.214 0.000 1.293 236 C CA -0.002 59.144 59.018 0.214 0.000 1.713 236 C CB -1.236 26.717 27.740 0.354 0.000 1.890 236 C HN 0.870 nan 8.230 nan 0.000 0.602 237 A N -0.461 122.469 122.820 0.183 0.000 1.902 237 A HA -0.189 4.126 4.320 -0.010 0.000 0.217 237 A C 1.475 179.064 177.584 0.009 0.000 1.181 237 A CA 1.568 53.688 52.037 0.140 0.000 0.623 237 A CB -0.609 18.487 19.000 0.160 0.000 0.818 237 A HN 0.643 nan 8.150 nan 0.000 0.443 238 C N 0.872 120.198 119.300 0.043 0.000 2.687 238 C HA 0.406 4.860 4.460 -0.010 0.000 0.465 238 C C 1.601 176.645 174.990 0.090 0.000 1.304 238 C CA 0.471 59.508 59.018 0.033 0.000 1.620 238 C CB -1.921 25.854 27.740 0.058 0.000 2.212 238 C HN 0.686 nan 8.230 nan 0.000 0.616 239 T N -3.672 110.873 114.554 -0.014 0.000 3.262 239 T HA 0.255 4.599 4.350 -0.010 0.000 0.300 239 T C 0.037 174.704 174.700 -0.056 0.000 0.959 239 T CA 0.027 62.053 62.100 -0.123 0.000 0.936 239 T CB -0.465 68.296 68.868 -0.178 0.000 1.169 239 T HN 0.303 nan 8.240 nan 0.000 0.532 240 V N 0.252 120.067 119.914 -0.165 0.000 2.966 240 V HA 1.020 5.135 4.120 -0.010 0.000 0.317 240 V C -0.351 175.630 176.094 -0.189 0.000 1.070 240 V CA -0.464 61.681 62.300 -0.258 0.000 1.008 240 V CB 1.527 32.899 31.823 -0.751 0.000 1.070 240 V HN 0.732 nan 8.190 nan 0.000 0.457 241 S N 0.460 116.061 115.700 -0.165 0.000 2.588 241 S HA 0.621 5.085 4.470 -0.010 0.000 0.269 241 S C -2.546 171.996 174.600 -0.097 0.000 1.157 241 S CA -0.884 57.259 58.200 -0.095 0.000 0.824 241 S CB 1.330 64.583 63.200 0.087 0.000 1.126 241 S HN 0.459 nan 8.310 nan 0.000 0.464 242 P HA -0.094 nan 4.420 nan 0.000 0.215 242 P C 1.601 178.983 177.300 0.138 0.000 1.157 242 P CA 1.228 64.190 63.100 -0.230 0.000 0.874 242 P CB 0.037 31.444 31.700 -0.489 0.000 0.790 243 R N 0.167 120.778 120.500 0.185 0.000 2.066 243 R HA 0.003 4.337 4.340 -0.010 0.000 0.232 243 R C 2.129 178.593 176.300 0.273 0.000 1.131 243 R CA 1.908 58.179 56.100 0.285 0.000 0.955 243 R CB -1.563 28.969 30.300 0.387 0.000 0.851 243 R HN 0.048 nan 8.270 nan 0.000 0.432 244 A N 0.265 123.101 122.820 0.026 0.000 1.972 244 A HA -0.078 4.236 4.320 -0.010 0.000 0.219 244 A C 2.225 180.000 177.584 0.318 0.000 1.169 244 A CA 1.379 53.358 52.037 -0.097 0.000 0.635 244 A CB -0.551 18.037 19.000 -0.688 0.000 0.810 244 A HN 0.349 nan 8.150 nan 0.000 0.446 245 L N -0.613 120.772 121.223 0.270 0.000 2.056 245 L HA -0.157 4.177 4.340 -0.010 0.000 0.207 245 L C 2.046 179.088 176.870 0.288 0.000 1.078 245 L CA 1.334 56.344 54.840 0.284 0.000 0.749 245 L CB -0.573 41.628 42.059 0.237 0.000 0.901 245 L HN 0.275 nan 8.230 nan 0.000 0.433 246 D N -0.058 120.519 120.400 0.294 0.000 2.117 246 D HA -0.173 4.461 4.640 -0.010 0.000 0.198 246 D C 1.777 178.207 176.300 0.217 0.000 0.982 246 D CA 1.135 55.282 54.000 0.244 0.000 0.828 246 D CB -0.250 40.705 40.800 0.258 0.000 0.967 246 D HN 0.258 nan 8.370 nan 0.000 0.464 247 D N -0.052 120.510 120.400 0.270 0.000 2.117 247 D HA -0.145 4.489 4.640 -0.010 0.000 0.197 247 D C 1.848 178.227 176.300 0.132 0.000 0.987 247 D CA 0.378 54.545 54.000 0.278 0.000 0.829 247 D CB -0.539 40.560 40.800 0.499 0.000 0.961 247 D HN 0.209 nan 8.370 nan 0.000 0.460 248 F N 1.752 121.581 119.950 -0.202 0.000 2.095 248 F HA -0.212 4.309 4.527 -0.010 0.000 0.298 248 F C 2.351 178.055 175.800 -0.160 0.000 1.104 248 F CA 1.844 59.519 58.000 -0.541 0.000 1.232 248 F CB 0.001 38.664 39.000 -0.562 0.000 0.987 248 F HN -0.093 nan 8.300 nan 0.000 0.475 249 E N 0.272 120.586 120.200 0.190 0.000 2.085 249 E HA -0.264 4.080 4.350 -0.010 0.000 0.194 249 E C 2.224 178.820 176.600 -0.008 0.000 0.994 249 E CA 1.174 57.633 56.400 0.097 0.000 0.801 249 E CB -0.373 29.399 29.700 0.121 0.000 0.743 249 E HN 0.494 nan 8.360 nan 0.000 0.453 250 A N 1.109 123.936 122.820 0.012 0.000 1.972 250 A HA -0.188 4.126 4.320 -0.010 0.000 0.219 250 A C 2.097 179.638 177.584 -0.071 0.000 1.169 250 A CA 1.640 53.676 52.037 -0.002 0.000 0.635 250 A CB -0.373 18.651 19.000 0.039 0.000 0.810 250 A HN 0.201 nan 8.150 nan 0.000 0.446 251 K N -2.176 118.137 120.400 -0.145 0.000 2.137 251 K HA -0.033 4.281 4.320 -0.010 0.000 0.202 251 K C 1.266 177.559 176.600 -0.512 0.000 1.052 251 K CA 1.092 57.208 56.287 -0.284 0.000 0.961 251 K CB -0.117 32.233 32.500 -0.250 0.000 0.741 251 K HN 0.541 nan 8.250 nan 0.000 0.452 252 Y N -0.662 119.342 120.300 -0.494 0.000 2.458 252 Y HA 0.219 4.763 4.550 -0.010 0.000 0.254 252 Y C 1.132 176.975 175.900 -0.096 0.000 1.120 252 Y CA 0.440 58.276 58.100 -0.441 0.000 1.282 252 Y CB 1.282 39.104 38.460 -1.063 0.000 1.109 252 Y HN 0.307 nan 8.280 nan 0.000 0.526 253 G N 0.404 109.215 108.800 0.018 0.000 2.147 253 G HA2 -0.315 3.639 3.960 -0.010 0.000 0.244 253 G HA3 -0.315 3.639 3.960 -0.010 0.000 0.244 253 G C -0.391 174.672 174.900 0.272 0.000 1.005 253 G CA 0.487 45.654 45.100 0.113 0.000 0.713 253 G HN 0.570 nan 8.290 nan 0.000 0.515 254 Y N -3.039 117.332 120.300 0.117 0.000 2.604 254 Y HA 0.762 5.306 4.550 -0.010 0.000 0.331 254 Y C -0.606 175.429 175.900 0.226 0.000 1.158 254 Y CA -1.659 56.528 58.100 0.144 0.000 1.056 254 Y CB 0.856 39.395 38.460 0.132 0.000 1.330 254 Y HN 0.241 nan 8.280 nan 0.000 0.457 255 R N 3.371 123.982 120.500 0.186 0.000 2.312 255 R HA 0.595 4.929 4.340 -0.010 0.000 0.311 255 R C -1.245 175.108 176.300 0.088 0.000 1.004 255 R CA -0.654 55.503 56.100 0.096 0.000 0.902 255 R CB 0.816 31.171 30.300 0.091 0.000 1.073 255 R HN 0.911 nan 8.270 nan 0.000 0.457 256 L N 4.927 126.113 121.223 -0.062 0.000 2.455 256 L HA 0.220 4.554 4.340 -0.010 0.000 0.272 256 L C 0.737 177.580 176.870 -0.045 0.000 1.174 256 L CA 0.119 54.888 54.840 -0.118 0.000 0.869 256 L CB 0.571 42.413 42.059 -0.363 0.000 1.130 256 L HN 0.564 nan 8.230 nan 0.000 0.474 257 R N 3.877 124.338 120.500 -0.064 0.000 2.539 257 R HA 0.120 4.454 4.340 -0.010 0.000 0.275 257 R C -1.507 174.655 176.300 -0.231 0.000 1.077 257 R CA -1.506 54.535 56.100 -0.099 0.000 1.097 257 R CB 0.290 30.538 30.300 -0.088 0.000 1.018 257 R HN 0.357 nan 8.270 nan 0.000 0.483 258 P HA -0.224 nan 4.420 nan 0.000 0.217 258 P C 0.761 177.766 177.300 -0.491 0.000 1.148 258 P CA 1.215 63.762 63.100 -0.922 0.000 0.834 258 P CB 0.260 31.463 31.700 -0.828 0.000 0.783 259 E N -0.140 119.880 120.200 -0.301 0.000 2.209 259 E HA -0.193 4.151 4.350 -0.010 0.000 0.196 259 E C 1.359 177.811 176.600 -0.247 0.000 0.993 259 E CA 1.195 57.456 56.400 -0.231 0.000 0.819 259 E CB -0.936 28.670 29.700 -0.157 0.000 0.745 259 E HN 0.207 nan 8.360 nan 0.000 0.477 260 D N -1.282 118.938 120.400 -0.299 0.000 2.371 260 D HA -0.091 4.543 4.640 -0.010 0.000 0.221 260 D C 0.819 176.711 176.300 -0.681 0.000 0.986 260 D CA 0.622 54.359 54.000 -0.439 0.000 0.899 260 D CB 0.071 40.574 40.800 -0.494 0.000 0.902 260 D HN 0.294 nan 8.370 nan 0.000 0.530 261 F N -0.249 119.502 119.950 -0.331 0.000 2.480 261 F HA -0.039 4.482 4.527 -0.010 0.000 0.280 261 F C 2.343 177.992 175.800 -0.251 0.000 1.002 261 F CA 0.092 57.932 58.000 -0.266 0.000 1.325 261 F CB -0.560 38.300 39.000 -0.234 0.000 1.134 261 F HN -0.190 nan 8.300 nan 0.000 0.646 262 V N -2.081 117.718 119.914 -0.192 0.000 2.871 262 V HA -0.023 4.091 4.120 -0.010 0.000 0.256 262 V C 0.616 176.445 176.094 -0.442 0.000 1.082 262 V CA 1.178 63.155 62.300 -0.537 0.000 1.105 262 V CB -0.781 30.725 31.823 -0.529 0.000 0.713 262 V HN 0.483 nan 8.190 nan 0.000 0.473 263 D N 0.877 121.121 120.400 -0.261 0.000 2.689 263 D HA -0.100 4.534 4.640 -0.010 0.000 0.237 263 D C 1.201 177.411 176.300 -0.150 0.000 1.148 263 D CA 1.484 55.381 54.000 -0.172 0.000 0.656 263 D CB -1.530 39.206 40.800 -0.108 0.000 1.050 263 D HN 1.568 nan 8.370 nan 0.000 0.426 264 G N -1.015 107.685 108.800 -0.166 0.000 2.166 264 G HA2 -0.014 3.940 3.960 -0.010 0.000 0.260 264 G HA3 -0.014 3.940 3.960 -0.010 0.000 0.260 264 G C 1.475 176.314 174.900 -0.101 0.000 0.986 264 G CA 0.900 45.931 45.100 -0.115 0.000 0.683 264 G HN 1.795 nan 8.290 nan 0.000 0.527 265 G N -1.919 106.775 108.800 -0.176 0.000 2.201 265 G HA2 0.183 4.137 3.960 -0.010 0.000 0.212 265 G HA3 0.183 4.137 3.960 -0.010 0.000 0.212 265 G C 1.314 176.252 174.900 0.064 0.000 0.994 265 G CA 1.144 46.197 45.100 -0.079 0.000 0.644 265 G HN 1.948 nan 8.290 nan 0.000 0.508 266 A N -0.452 122.383 122.820 0.025 0.000 2.072 266 A HA 0.505 4.820 4.320 -0.010 0.000 0.216 266 A C 1.334 179.076 177.584 0.264 0.000 1.156 266 A CA 1.552 53.674 52.037 0.141 0.000 0.701 266 A CB -0.377 18.679 19.000 0.093 0.000 0.816 266 A HN 1.397 nan 8.150 nan 0.000 0.458 267 Y N -0.628 119.712 120.300 0.068 0.000 3.491 267 Y HA -0.274 4.270 4.550 -0.010 0.000 0.215 267 Y C 0.640 176.604 175.900 0.106 0.000 1.219 267 Y CA 0.651 58.802 58.100 0.085 0.000 1.485 267 Y CB -2.422 36.099 38.460 0.101 0.000 1.450 267 Y HN 0.589 nan 8.280 nan 0.000 0.603 268 N N -1.675 117.129 118.700 0.173 0.000 2.725 268 N HA -0.208 4.526 4.740 -0.010 0.000 0.249 268 N C 0.305 175.967 175.510 0.255 0.000 1.103 268 N CA 1.168 54.319 53.050 0.169 0.000 0.707 268 N CB -1.108 37.454 38.487 0.125 0.000 1.043 268 N HN 0.594 nan 8.380 nan 0.000 0.553 269 S N -0.491 115.380 115.700 0.286 0.000 2.643 269 S HA 0.114 4.578 4.470 -0.010 0.000 0.310 269 S C 1.724 176.577 174.600 0.422 0.000 1.253 269 S CA 0.471 58.888 58.200 0.362 0.000 1.047 269 S CB 0.650 64.058 63.200 0.347 0.000 0.767 269 S HN 0.450 nan 8.310 nan 0.000 0.498 270 A N 4.686 127.799 122.820 0.488 0.000 2.139 270 A HA -0.084 4.230 4.320 -0.010 0.000 0.221 270 A C 1.470 179.293 177.584 0.399 0.000 1.159 270 A CA 1.455 53.742 52.037 0.417 0.000 0.662 270 A CB -0.749 18.384 19.000 0.221 0.000 0.796 270 A HN 0.984 nan 8.150 nan 0.000 0.463 271 W N 0.309 121.779 121.300 0.284 0.000 2.584 271 W HA 0.112 4.765 4.660 -0.010 0.000 0.264 271 W C 0.983 177.510 176.519 0.014 0.000 1.264 271 W CA 0.076 57.528 57.345 0.180 0.000 1.306 271 W CB 0.094 29.766 29.460 0.353 0.000 1.110 271 W HN 0.057 nan 8.180 nan 0.000 0.606 272 R N 1.000 121.660 120.500 0.266 0.000 2.543 272 R HA 0.123 4.457 4.340 -0.010 0.000 0.277 272 R C -0.087 176.189 176.300 -0.040 0.000 1.074 272 R CA -0.260 55.912 56.100 0.119 0.000 1.076 272 R CB 0.550 30.924 30.300 0.122 0.000 0.993 272 R HN -0.253 nan 8.270 nan 0.000 0.459 273 V N 5.840 125.692 119.914 -0.103 0.000 2.509 273 V HA -0.013 4.101 4.120 -0.010 0.000 0.297 273 V C -1.737 174.208 176.094 -0.248 0.000 1.014 273 V CA -0.791 61.374 62.300 -0.224 0.000 1.127 273 V CB -0.021 31.696 31.823 -0.177 0.000 0.925 273 V HN 0.588 nan 8.190 nan 0.000 0.480 274 P HA 0.248 nan 4.420 nan 0.000 0.268 274 P C -0.215 176.934 177.300 -0.253 0.000 1.204 274 P CA 0.023 62.883 63.100 -0.400 0.000 0.768 274 P CB 0.522 31.696 31.700 -0.877 0.000 0.842 275 R N 1.836 122.247 120.500 -0.148 0.000 2.598 275 R HA 0.265 4.599 4.340 -0.010 0.000 0.279 275 R C 1.528 177.778 176.300 -0.084 0.000 0.984 275 R CA -0.832 55.197 56.100 -0.118 0.000 0.999 275 R CB 1.046 31.285 30.300 -0.101 0.000 1.114 275 R HN 0.423 nan 8.270 nan 0.000 0.493 276 K N 1.653 122.009 120.400 -0.073 0.000 2.113 276 K HA -0.211 4.103 4.320 -0.010 0.000 0.208 276 K C 1.688 178.316 176.600 0.047 0.000 1.047 276 K CA 1.899 58.174 56.287 -0.020 0.000 0.928 276 K CB -0.106 32.371 32.500 -0.039 0.000 0.716 276 K HN 0.704 nan 8.250 nan 0.000 0.446 277 A N 1.042 123.874 122.820 0.020 0.000 1.940 277 A HA -0.225 4.089 4.320 -0.010 0.000 0.219 277 A C 1.983 179.558 177.584 -0.016 0.000 1.176 277 A CA 1.517 53.582 52.037 0.047 0.000 0.631 277 A CB -0.430 18.532 19.000 -0.064 0.000 0.814 277 A HN 0.484 nan 8.150 nan 0.000 0.446 278 Q N -0.828 118.958 119.800 -0.022 0.000 2.046 278 Q HA -0.130 4.204 4.340 -0.010 0.000 0.200 278 Q C 2.397 178.492 176.000 0.159 0.000 0.975 278 Q CA 1.429 57.262 55.803 0.049 0.000 0.836 278 Q CB -0.160 28.631 28.738 0.088 0.000 0.896 278 Q HN 0.622 nan 8.270 nan 0.000 0.428 279 R N 0.504 121.084 120.500 0.133 0.000 2.075 279 R HA -0.122 4.212 4.340 -0.010 0.000 0.232 279 R C 1.716 178.126 176.300 0.182 0.000 1.126 279 R CA 1.318 57.513 56.100 0.159 0.000 0.963 279 R CB -0.138 30.221 30.300 0.097 0.000 0.858 279 R HN 0.269 nan 8.270 nan 0.000 0.435 280 D N -0.052 120.462 120.400 0.190 0.000 2.104 280 D HA -0.231 4.403 4.640 -0.010 0.000 0.194 280 D C 1.473 177.897 176.300 0.207 0.000 0.994 280 D CA 0.852 54.960 54.000 0.179 0.000 0.830 280 D CB -0.312 40.611 40.800 0.205 0.000 0.959 280 D HN 0.340 nan 8.370 nan 0.000 0.452 281 W N 1.265 122.587 121.300 0.036 0.000 2.381 281 W HA -0.117 4.537 4.660 -0.010 0.000 0.301 281 W C 2.018 178.636 176.519 0.164 0.000 1.205 281 W CA 0.637 58.019 57.345 0.063 0.000 1.285 281 W CB -0.320 29.065 29.460 -0.124 0.000 1.133 281 W HN -0.058 nan 8.180 nan 0.000 0.521 282 I N 1.066 121.743 120.570 0.178 0.000 2.151 282 I HA -0.380 3.784 4.170 -0.010 0.000 0.243 282 I C 2.157 178.299 176.117 0.043 0.000 1.080 282 I CA 1.972 63.318 61.300 0.076 0.000 1.339 282 I CB -0.757 37.317 38.000 0.123 0.000 1.039 282 I HN -0.149 nan 8.210 nan 0.000 0.409 283 D N 0.458 120.933 120.400 0.124 0.000 2.104 283 D HA -0.233 4.401 4.640 -0.010 0.000 0.194 283 D C 1.926 178.329 176.300 0.172 0.000 0.994 283 D CA 1.397 55.494 54.000 0.162 0.000 0.830 283 D CB -0.477 40.470 40.800 0.245 0.000 0.959 283 D HN 0.266 nan 8.370 nan 0.000 0.452 284 F N 1.077 121.035 119.950 0.013 0.000 2.075 284 F HA -0.155 4.366 4.527 -0.010 0.000 0.297 284 F C 2.163 177.860 175.800 -0.171 0.000 1.113 284 F CA 0.873 58.858 58.000 -0.025 0.000 1.218 284 F CB -0.531 38.423 39.000 -0.075 0.000 0.984 284 F HN -0.097 nan 8.300 nan 0.000 0.472 285 L N -0.112 120.838 121.223 -0.455 0.000 2.046 285 L HA -0.184 4.150 4.340 -0.010 0.000 0.208 285 L C 2.472 179.273 176.870 -0.115 0.000 1.077 285 L CA 2.080 56.651 54.840 -0.449 0.000 0.747 285 L CB -1.023 40.738 42.059 -0.498 0.000 0.896 285 L HN 0.130 nan 8.230 nan 0.000 0.432 286 S N -0.525 115.137 115.700 -0.063 0.000 2.383 286 S HA -0.093 4.371 4.470 -0.010 0.000 0.227 286 S C 1.931 176.540 174.600 0.015 0.000 1.026 286 S CA 0.926 59.131 58.200 0.008 0.000 0.981 286 S CB -0.870 62.342 63.200 0.020 0.000 0.818 286 S HN 0.680 nan 8.310 nan 0.000 0.472 287 G N 0.975 109.778 108.800 0.006 0.000 2.446 287 G HA2 -0.247 3.707 3.960 -0.010 0.000 0.217 287 G HA3 -0.247 3.707 3.960 -0.010 0.000 0.217 287 G C 1.247 176.144 174.900 -0.005 0.000 1.168 287 G CA 0.906 46.009 45.100 0.005 0.000 0.771 287 G HN 0.516 nan 8.290 nan 0.000 0.551 288 F N 1.095 120.953 119.950 -0.153 0.000 2.113 288 F HA -0.024 4.497 4.527 -0.010 0.000 0.297 288 F C 2.689 178.451 175.800 -0.063 0.000 1.103 288 F CA 1.412 59.331 58.000 -0.135 0.000 1.248 288 F CB -0.371 38.529 39.000 -0.167 0.000 0.999 288 F HN 0.001 nan 8.300 nan 0.000 0.475 289 V N 1.139 121.046 119.914 -0.011 0.000 2.295 289 V HA -0.285 3.829 4.120 -0.010 0.000 0.246 289 V C 2.558 178.591 176.094 -0.102 0.000 1.049 289 V CA 2.269 64.578 62.300 0.015 0.000 1.024 289 V CB -0.686 31.294 31.823 0.261 0.000 0.648 289 V HN 0.278 nan 8.190 nan 0.000 0.447 290 R N 0.237 120.682 120.500 -0.091 0.000 2.081 290 R HA -0.208 4.126 4.340 -0.010 0.000 0.235 290 R C 2.398 178.588 176.300 -0.183 0.000 1.131 290 R CA 1.832 57.858 56.100 -0.125 0.000 0.960 290 R CB -0.390 29.875 30.300 -0.059 0.000 0.856 290 R HN 0.844 nan 8.270 nan 0.000 0.436 291 E N 0.511 120.590 120.200 -0.202 0.000 2.085 291 E HA -0.195 4.149 4.350 -0.010 0.000 0.194 291 E C 1.398 177.846 176.600 -0.253 0.000 0.994 291 E CA 1.212 57.480 56.400 -0.220 0.000 0.801 291 E CB -0.292 29.282 29.700 -0.211 0.000 0.743 291 E HN 0.309 nan 8.360 nan 0.000 0.453 292 N N 0.726 119.230 118.700 -0.328 0.000 2.300 292 N HA -0.063 4.671 4.740 -0.010 0.000 0.179 292 N C 2.026 177.541 175.510 0.008 0.000 1.016 292 N CA 1.112 54.050 53.050 -0.187 0.000 0.876 292 N CB 0.173 38.305 38.487 -0.591 0.000 0.979 292 N HN 0.100 nan 8.380 nan 0.000 0.432 293 V N 1.855 121.672 119.914 -0.163 0.000 2.358 293 V HA -0.205 3.909 4.120 -0.010 0.000 0.246 293 V C 2.505 178.349 176.094 -0.417 0.000 1.047 293 V CA 1.454 63.409 62.300 -0.575 0.000 1.035 293 V CB -0.419 30.860 31.823 -0.906 0.000 0.658 293 V HN 0.286 nan 8.190 nan 0.000 0.452 294 K N -0.040 120.189 120.400 -0.284 0.000 2.103 294 K HA -0.282 4.032 4.320 -0.010 0.000 0.207 294 K C 2.279 178.781 176.600 -0.163 0.000 1.048 294 K CA 2.002 58.159 56.287 -0.216 0.000 0.930 294 K CB -0.163 32.233 32.500 -0.172 0.000 0.716 294 K HN 0.545 nan 8.250 nan 0.000 0.444 295 Q N 0.517 120.235 119.800 -0.136 0.000 2.084 295 Q HA -0.150 4.184 4.340 -0.010 0.000 0.202 295 Q C 2.122 178.149 176.000 0.044 0.000 0.978 295 Q CA 1.449 57.195 55.803 -0.096 0.000 0.844 295 Q CB -0.055 28.524 28.738 -0.266 0.000 0.898 295 Q HN 0.391 nan 8.270 nan 0.000 0.426 296 L N 0.161 121.426 121.223 0.069 0.000 2.046 296 L HA -0.192 4.142 4.340 -0.010 0.000 0.208 296 L C 2.565 179.425 176.870 -0.017 0.000 1.077 296 L CA 1.072 55.908 54.840 -0.006 0.000 0.747 296 L CB -0.588 41.179 42.059 -0.487 0.000 0.896 296 L HN 0.330 nan 8.230 nan 0.000 0.432 297 A N -0.263 122.443 122.820 -0.191 0.000 1.898 297 A HA -0.216 4.098 4.320 -0.010 0.000 0.216 297 A C 1.914 179.259 177.584 -0.399 0.000 1.181 297 A CA 1.856 53.718 52.037 -0.292 0.000 0.620 297 A CB -0.486 18.343 19.000 -0.286 0.000 0.819 297 A HN 0.333 nan 8.150 nan 0.000 0.442 298 D N -0.275 120.032 120.400 -0.154 0.000 2.117 298 D HA -0.150 4.484 4.640 -0.010 0.000 0.197 298 D C 2.021 178.333 176.300 0.019 0.000 0.987 298 D CA 1.520 55.501 54.000 -0.032 0.000 0.829 298 D CB -0.359 40.432 40.800 -0.016 0.000 0.961 298 D HN 0.503 nan 8.370 nan 0.000 0.460 299 M N 0.223 119.869 119.600 0.077 0.000 2.132 299 M HA -0.114 4.360 4.480 -0.010 0.000 0.263 299 M C 2.338 178.706 176.300 0.115 0.000 1.065 299 M CA 0.941 56.318 55.300 0.127 0.000 1.122 299 M CB -0.096 32.665 32.600 0.268 0.000 1.365 299 M HN -0.139 nan 8.290 nan 0.000 0.411 300 S N -0.425 115.394 115.700 0.197 0.000 2.359 300 S HA -0.201 4.263 4.470 -0.010 0.000 0.224 300 S C 1.625 176.291 174.600 0.110 0.000 1.035 300 S CA 1.518 59.820 58.200 0.170 0.000 1.018 300 S CB -0.785 62.557 63.200 0.236 0.000 0.876 300 S HN 0.578 nan 8.310 nan 0.000 0.448 301 H N 0.855 119.992 119.070 0.113 0.000 2.389 301 H HA 0.083 4.633 4.556 -0.010 0.000 0.299 301 H C 2.407 177.758 175.328 0.038 0.000 1.081 301 H CA 0.778 56.866 56.048 0.066 0.000 1.345 301 H CB -0.145 29.646 29.762 0.049 0.000 1.393 301 H HN 0.446 nan 8.280 nan 0.000 0.520 302 A N 1.008 123.912 122.820 0.141 0.000 2.015 302 A HA 0.007 4.321 4.320 -0.010 0.000 0.219 302 A C 2.237 179.842 177.584 0.034 0.000 1.163 302 A CA 1.216 53.294 52.037 0.068 0.000 0.646 302 A CB -0.437 18.586 19.000 0.038 0.000 0.806 302 A HN 0.443 nan 8.150 nan 0.000 0.448 303 A N -1.598 121.238 122.820 0.027 0.000 2.337 303 A HA 0.448 4.762 4.320 -0.010 0.000 0.227 303 A C 1.553 179.144 177.584 0.012 0.000 1.259 303 A CA 0.932 52.963 52.037 -0.010 0.000 0.870 303 A CB -1.007 17.954 19.000 -0.065 0.000 0.927 303 A HN 1.816 nan 8.150 nan 0.000 0.497 304 G N -0.344 108.487 108.800 0.051 0.000 2.147 304 G HA2 -0.241 3.713 3.960 -0.010 0.000 0.244 304 G HA3 -0.241 3.713 3.960 -0.010 0.000 0.244 304 G C 0.009 174.956 174.900 0.077 0.000 1.005 304 G CA 0.646 45.779 45.100 0.055 0.000 0.713 304 G HN 0.598 nan 8.290 nan 0.000 0.515 305 K N -0.173 120.297 120.400 0.118 0.000 2.328 305 K HA 0.533 4.847 4.320 -0.010 0.000 0.246 305 K C -0.131 176.602 176.600 0.221 0.000 0.955 305 K CA -0.866 55.500 56.287 0.132 0.000 0.817 305 K CB 1.980 34.541 32.500 0.102 0.000 1.208 305 K HN 0.252 nan 8.250 nan 0.000 0.432 306 E N 0.735 121.049 120.200 0.189 0.000 2.301 306 E HA 0.300 4.644 4.350 -0.010 0.000 0.275 306 E C -0.882 175.825 176.600 0.179 0.000 1.030 306 E CA -0.577 55.961 56.400 0.230 0.000 0.852 306 E CB 1.419 31.234 29.700 0.193 0.000 1.060 306 E HN 0.542 nan 8.360 nan 0.000 0.401 307 A N 3.914 126.862 122.820 0.212 0.000 2.260 307 A HA 0.451 4.766 4.320 -0.010 0.000 0.314 307 A C -0.519 177.171 177.584 0.178 0.000 1.257 307 A CA -0.445 51.747 52.037 0.257 0.000 0.871 307 A CB 0.294 19.424 19.000 0.217 0.000 1.166 307 A HN 0.671 nan 8.150 nan 0.000 0.522 308 M N 4.401 124.089 119.600 0.146 0.000 2.311 308 M HA 0.652 5.126 4.480 -0.010 0.000 0.325 308 M C -0.982 175.394 176.300 0.128 0.000 1.061 308 M CA -0.555 54.765 55.300 0.034 0.000 0.957 308 M CB 1.544 34.061 32.600 -0.138 0.000 1.646 308 M HN 0.798 nan 8.290 nan 0.000 0.434 309 M N 4.975 124.646 119.600 0.119 0.000 2.294 309 M HA 0.414 4.888 4.480 -0.010 0.000 0.335 309 M C -1.798 174.561 176.300 0.098 0.000 1.079 309 M CA -0.669 54.690 55.300 0.099 0.000 0.982 309 M CB 1.304 34.073 32.600 0.283 0.000 1.651 309 M HN 0.809 nan 8.290 nan 0.000 0.437 310 F N 5.910 125.796 119.950 -0.108 0.000 2.467 310 F HA 0.308 4.829 4.527 -0.010 0.000 0.362 310 F C -0.809 174.938 175.800 -0.087 0.000 1.090 310 F CA -0.751 57.192 58.000 -0.093 0.000 1.202 310 F CB 0.633 39.573 39.000 -0.100 0.000 1.113 310 F HN 0.584 nan 8.300 nan 0.000 0.541 311 L N 7.464 128.322 121.223 -0.607 0.000 2.415 311 L HA 0.533 4.867 4.340 -0.010 0.000 0.269 311 L C 0.125 176.225 176.870 -1.282 0.000 1.244 311 L CA 0.704 55.095 54.840 -0.747 0.000 1.113 311 L CB -0.997 40.781 42.059 -0.467 0.000 1.352 311 L HN 0.841 nan 8.230 nan 0.000 0.433 312 G N 1.500 109.566 108.800 -1.224 0.000 2.343 312 G HA2 0.246 4.200 3.960 -0.010 0.000 0.289 312 G HA3 0.246 4.200 3.960 -0.010 0.000 0.289 312 G C -0.716 174.183 174.900 -0.002 0.000 1.295 312 G CA -0.183 44.383 45.100 -0.890 0.000 0.869 312 G HN 0.301 nan 8.290 nan 0.000 0.522 313 D N -0.694 120.028 120.400 0.535 0.000 3.899 313 D HA -0.205 4.429 4.640 -0.010 0.000 0.146 313 D C 1.197 177.763 176.300 0.444 0.000 0.820 313 D CA 2.127 56.437 54.000 0.517 0.000 1.056 313 D CB -0.685 40.352 40.800 0.394 0.000 0.474 313 D HN 0.626 nan 8.370 nan 0.000 0.457 314 Q N 1.115 121.070 119.800 0.259 0.000 3.254 314 Q HA 0.149 4.483 4.340 -0.010 0.000 0.315 314 Q C 0.636 176.797 176.000 0.269 0.000 1.405 314 Q CA -0.117 55.804 55.803 0.197 0.000 0.966 314 Q CB -0.611 28.168 28.738 0.069 0.000 1.706 314 Q HN 0.543 nan 8.270 nan 0.000 0.525 315 W N -0.314 121.014 121.300 0.047 0.000 3.127 315 W HA 0.300 4.954 4.660 -0.010 0.000 0.344 315 W C -0.918 175.626 176.519 0.042 0.000 1.151 315 W CA -0.562 56.795 57.345 0.019 0.000 1.765 315 W CB 0.137 29.513 29.460 -0.141 0.000 1.085 315 W HN 0.029 nan 8.180 nan 0.000 0.596 316 I N 2.503 122.902 120.570 -0.286 0.000 2.618 316 I HA 0.232 4.396 4.170 -0.010 0.000 0.284 316 I C 1.679 177.757 176.117 -0.066 0.000 1.146 316 I CA 1.510 62.588 61.300 -0.371 0.000 1.425 316 I CB -0.240 37.677 38.000 -0.139 0.000 1.383 316 I HN 0.433 nan 8.210 nan 0.000 0.562 317 G N 4.379 113.096 108.800 -0.139 0.000 2.195 317 G HA2 -0.322 3.632 3.960 -0.010 0.000 0.246 317 G HA3 -0.322 3.632 3.960 -0.010 0.000 0.246 317 G C 0.872 175.789 174.900 0.029 0.000 0.984 317 G CA 0.675 45.771 45.100 -0.006 0.000 0.633 317 G HN 0.691 nan 8.290 nan 0.000 0.525 318 T N -1.957 112.613 114.554 0.026 0.000 2.894 318 T HA 0.307 4.651 4.350 -0.010 0.000 0.258 318 T C 0.822 175.600 174.700 0.129 0.000 1.043 318 T CA 1.200 63.393 62.100 0.155 0.000 1.141 318 T CB -0.037 69.014 68.868 0.306 0.000 0.873 318 T HN 0.770 nan 8.240 nan 0.000 0.449 319 E N 1.477 121.664 120.200 -0.022 0.000 2.302 319 E HA -0.109 4.235 4.350 -0.010 0.000 0.186 319 E C -2.069 174.408 176.600 -0.205 0.000 1.444 319 E CA 0.481 56.844 56.400 -0.061 0.000 0.671 319 E CB -1.528 28.166 29.700 -0.010 0.000 1.122 319 E HN 0.434 nan 8.360 nan 0.000 0.366 320 P HA -0.148 nan 4.420 nan 0.000 0.221 320 P C 0.920 177.726 177.300 -0.824 0.000 1.145 320 P CA 1.250 63.527 63.100 -1.371 0.000 0.795 320 P CB 0.012 31.106 31.700 -1.010 0.000 0.775 321 Y N -1.171 118.989 120.300 -0.234 0.000 2.458 321 Y HA 0.204 4.748 4.550 -0.010 0.000 0.256 321 Y C 0.952 176.832 175.900 -0.033 0.000 1.159 321 Y CA -0.041 57.999 58.100 -0.099 0.000 1.261 321 Y CB 0.023 38.434 38.460 -0.082 0.000 1.119 321 Y HN -0.191 nan 8.280 nan 0.000 0.524 322 K N 0.907 121.358 120.400 0.085 0.000 2.118 322 K HA 0.129 4.443 4.320 -0.010 0.000 0.267 322 K C -0.594 176.074 176.600 0.113 0.000 0.991 322 K CA -0.861 55.485 56.287 0.098 0.000 0.916 322 K CB 0.646 33.195 32.500 0.083 0.000 1.041 322 K HN -0.047 nan 8.250 nan 0.000 0.455 323 D N 0.567 121.028 120.400 0.101 0.000 2.506 323 D HA 0.016 4.650 4.640 -0.010 0.000 0.234 323 D C 1.252 177.613 176.300 0.102 0.000 1.143 323 D CA 1.434 55.492 54.000 0.096 0.000 0.871 323 D CB 0.864 41.708 40.800 0.073 0.000 1.190 323 D HN 0.833 nan 8.370 nan 0.000 0.459 324 G N 1.297 110.155 108.800 0.097 0.000 2.232 324 G HA2 -0.350 3.604 3.960 -0.010 0.000 0.226 324 G HA3 -0.350 3.604 3.960 -0.010 0.000 0.226 324 G C 0.882 175.836 174.900 0.089 0.000 0.996 324 G CA 0.195 45.339 45.100 0.073 0.000 0.626 324 G HN 0.465 nan 8.290 nan 0.000 0.509 325 F N 3.163 123.107 119.950 -0.010 0.000 2.161 325 F HA -0.061 4.461 4.527 -0.010 0.000 0.300 325 F C 2.482 178.268 175.800 -0.024 0.000 1.089 325 F CA 2.445 60.431 58.000 -0.024 0.000 1.282 325 F CB -0.037 38.944 39.000 -0.032 0.000 1.010 325 F HN 0.350 nan 8.300 nan 0.000 0.485 326 D N -0.129 120.274 120.400 0.005 0.000 2.218 326 D HA -0.236 4.398 4.640 -0.010 0.000 0.204 326 D C 1.509 177.737 176.300 -0.119 0.000 0.976 326 D CA 1.490 55.449 54.000 -0.070 0.000 0.853 326 D CB -0.975 39.836 40.800 0.017 0.000 0.939 326 D HN 0.503 nan 8.370 nan 0.000 0.481 327 E N -0.126 120.013 120.200 -0.100 0.000 2.427 327 E HA 0.056 4.400 4.350 -0.010 0.000 0.196 327 E C 2.142 178.661 176.600 -0.135 0.000 1.028 327 E CA -0.051 56.296 56.400 -0.088 0.000 0.864 327 E CB 0.006 29.674 29.700 -0.054 0.000 0.813 327 E HN 0.365 nan 8.360 nan 0.000 0.514 328 L N -0.374 120.707 121.223 -0.237 0.000 2.201 328 L HA -0.015 4.319 4.340 -0.010 0.000 0.212 328 L C 1.635 178.389 176.870 -0.193 0.000 1.105 328 L CA 0.785 55.459 54.840 -0.276 0.000 0.775 328 L CB -0.424 41.352 42.059 -0.472 0.000 0.913 328 L HN 0.321 nan 8.230 nan 0.000 0.440 329 G N 0.587 109.294 108.800 -0.155 0.000 2.147 329 G HA2 -0.283 3.672 3.960 -0.010 0.000 0.244 329 G HA3 -0.283 3.672 3.960 -0.010 0.000 0.244 329 G C 0.196 175.129 174.900 0.056 0.000 1.005 329 G CA -0.221 44.875 45.100 -0.007 0.000 0.713 329 G HN 0.220 nan 8.290 nan 0.000 0.515 330 L N 0.561 121.716 121.223 -0.113 0.000 2.499 330 L HA 0.157 4.491 4.340 -0.010 0.000 0.273 330 L C 1.497 178.370 176.870 0.005 0.000 1.195 330 L CA -0.105 54.702 54.840 -0.054 0.000 0.882 330 L CB 0.396 42.367 42.059 -0.147 0.000 1.133 330 L HN 0.151 nan 8.230 nan 0.000 0.483 331 D N 2.301 122.743 120.400 0.071 0.000 2.149 331 D HA 0.047 4.681 4.640 -0.010 0.000 0.201 331 D C 0.502 176.651 176.300 -0.252 0.000 0.972 331 D CA 1.090 55.101 54.000 0.018 0.000 0.835 331 D CB 0.476 41.360 40.800 0.141 0.000 0.966 331 D HN 0.612 nan 8.370 nan 0.000 0.476 332 A N -0.002 122.637 122.820 -0.302 0.000 2.609 332 A HA 0.542 4.856 4.320 -0.010 0.000 0.291 332 A C -1.322 176.172 177.584 -0.150 0.000 1.096 332 A CA -0.565 51.181 52.037 -0.484 0.000 0.684 332 A CB 1.946 20.323 19.000 -1.038 0.000 1.282 332 A HN -0.089 nan 8.150 nan 0.000 0.412 333 V N 0.684 120.544 119.914 -0.090 0.000 2.540 333 V HA 0.627 4.741 4.120 -0.010 0.000 0.302 333 V C -0.425 175.672 176.094 0.006 0.000 1.035 333 V CA -0.612 61.694 62.300 0.009 0.000 0.873 333 V CB 1.442 33.291 31.823 0.043 0.000 0.992 333 V HN 0.947 nan 8.190 nan 0.000 0.428 334 V N 4.471 124.414 119.914 0.048 0.000 2.581 334 V HA 1.016 5.130 4.120 -0.010 0.000 0.303 334 V C 0.296 176.454 176.094 0.107 0.000 1.041 334 V CA 0.453 62.810 62.300 0.094 0.000 0.907 334 V CB 1.625 33.531 31.823 0.138 0.000 0.994 334 V HN 1.031 nan 8.190 nan 0.000 0.442 335 G N 3.154 111.987 108.800 0.055 0.000 2.708 335 G HA2 0.546 4.500 3.960 -0.010 0.000 0.289 335 G HA3 0.546 4.500 3.960 -0.010 0.000 0.289 335 G C -1.119 173.778 174.900 -0.005 0.000 1.416 335 G CA -0.621 44.471 45.100 -0.013 0.000 0.829 335 G HN 0.793 nan 8.290 nan 0.000 0.480 336 S N 0.491 116.166 115.700 -0.041 0.000 2.489 336 S HA 0.369 4.833 4.470 -0.010 0.000 0.277 336 S C 0.212 174.752 174.600 -0.101 0.000 1.230 336 S CA -0.434 57.733 58.200 -0.055 0.000 1.053 336 S CB 0.830 63.993 63.200 -0.063 0.000 0.955 336 S HN 0.365 nan 8.310 nan 0.000 0.488 337 I N 3.678 124.120 120.570 -0.213 0.000 2.291 337 I HA 0.224 4.388 4.170 -0.010 0.000 0.292 337 I C 1.260 177.289 176.117 -0.146 0.000 1.064 337 I CA 0.107 61.233 61.300 -0.289 0.000 1.269 337 I CB 0.245 37.836 38.000 -0.682 0.000 1.418 337 I HN 0.883 nan 8.210 nan 0.000 0.485 338 G N 5.264 113.997 108.800 -0.112 0.000 2.850 338 G HA2 0.197 4.151 3.960 -0.010 0.000 0.211 338 G HA3 0.197 4.151 3.960 -0.010 0.000 0.211 338 G C -0.021 174.835 174.900 -0.072 0.000 1.124 338 G CA 0.225 45.278 45.100 -0.078 0.000 0.769 338 G HN 0.667 nan 8.290 nan 0.000 0.535 339 D N -3.548 116.787 120.400 -0.109 0.000 2.871 339 D HA 0.205 4.839 4.640 -0.010 0.000 0.330 339 D C 1.186 177.374 176.300 -0.187 0.000 1.364 339 D CA 0.096 54.024 54.000 -0.121 0.000 0.759 339 D CB 0.174 40.920 40.800 -0.089 0.000 1.325 339 D HN 0.009 nan 8.370 nan 0.000 0.452 340 G N -0.828 107.822 108.800 -0.250 0.000 2.408 340 G HA2 -0.170 3.784 3.960 -0.010 0.000 0.217 340 G HA3 -0.170 3.784 3.960 -0.010 0.000 0.217 340 G C 1.114 175.792 174.900 -0.369 0.000 1.150 340 G CA 1.728 46.647 45.100 -0.302 0.000 0.776 340 G HN 0.525 nan 8.290 nan 0.000 0.542 341 T N 1.208 115.562 114.554 -0.333 0.000 2.708 341 T HA -0.156 4.188 4.350 -0.010 0.000 0.266 341 T C 2.807 177.365 174.700 -0.238 0.000 1.037 341 T CA 2.162 64.085 62.100 -0.296 0.000 1.146 341 T CB -0.635 68.076 68.868 -0.261 0.000 0.865 341 T HN 0.561 nan 8.240 nan 0.000 0.435 342 T N 0.190 114.621 114.554 -0.204 0.000 2.951 342 T HA -0.066 4.278 4.350 -0.010 0.000 0.268 342 T C 2.061 176.658 174.700 -0.171 0.000 1.073 342 T CA 1.326 63.310 62.100 -0.193 0.000 1.134 342 T CB -0.888 67.802 68.868 -0.296 0.000 0.884 342 T HN 0.275 nan 8.240 nan 0.000 0.479 343 T N 2.014 116.434 114.554 -0.224 0.000 2.708 343 T HA -0.055 4.289 4.350 -0.010 0.000 0.266 343 T C 2.188 176.750 174.700 -0.230 0.000 1.037 343 T CA 0.939 62.910 62.100 -0.214 0.000 1.146 343 T CB -0.186 68.559 68.868 -0.205 0.000 0.865 343 T HN 0.261 nan 8.240 nan 0.000 0.435 344 R N 0.798 121.043 120.500 -0.426 0.000 2.120 344 R HA 0.142 4.476 4.340 -0.010 0.000 0.234 344 R C 2.430 178.556 176.300 -0.290 0.000 1.123 344 R CA 0.883 56.607 56.100 -0.628 0.000 0.975 344 R CB -0.762 28.506 30.300 -1.721 0.000 0.866 344 R HN 0.481 nan 8.270 nan 0.000 0.446 345 M N -0.050 119.480 119.600 -0.118 0.000 2.144 345 M HA -0.190 4.284 4.480 -0.010 0.000 0.260 345 M C 2.116 178.541 176.300 0.207 0.000 1.067 345 M CA 1.737 57.141 55.300 0.173 0.000 1.095 345 M CB -0.321 32.378 32.600 0.165 0.000 1.365 345 M HN 0.046 nan 8.290 nan 0.000 0.406 346 I N -0.673 119.931 120.570 0.056 0.000 2.277 346 I HA -0.133 4.031 4.170 -0.010 0.000 0.243 346 I C 2.653 178.805 176.117 0.060 0.000 1.094 346 I CA 0.956 62.274 61.300 0.031 0.000 1.393 346 I CB -0.562 37.431 38.000 -0.011 0.000 1.078 346 I HN 0.186 nan 8.210 nan 0.000 0.417 347 A N 0.399 123.248 122.820 0.049 0.000 1.972 347 A HA -0.202 4.112 4.320 -0.010 0.000 0.219 347 A C 1.628 179.288 177.584 0.126 0.000 1.169 347 A CA 1.946 54.029 52.037 0.077 0.000 0.635 347 A CB -0.524 18.495 19.000 0.031 0.000 0.810 347 A HN 0.346 nan 8.150 nan 0.000 0.446 348 D N -0.571 119.951 120.400 0.203 0.000 2.340 348 D HA 0.174 4.808 4.640 -0.010 0.000 0.220 348 D C 0.192 176.645 176.300 0.254 0.000 1.039 348 D CA 0.004 54.195 54.000 0.319 0.000 0.866 348 D CB -0.150 40.976 40.800 0.543 0.000 0.913 348 D HN 0.445 nan 8.370 nan 0.000 0.523 349 I N 3.194 123.777 120.570 0.021 0.000 2.598 349 I HA 0.064 4.228 4.170 -0.010 0.000 0.284 349 I C -1.757 174.318 176.117 -0.069 0.000 1.140 349 I CA -1.158 59.954 61.300 -0.313 0.000 1.420 349 I CB 0.523 38.315 38.000 -0.346 0.000 1.387 349 I HN -0.130 nan 8.210 nan 0.000 0.553 350 P HA 0.347 nan 4.420 nan 0.000 0.283 350 P C 0.352 177.734 177.300 0.137 0.000 1.278 350 P CA -0.309 62.833 63.100 0.069 0.000 0.834 350 P CB 1.628 33.379 31.700 0.085 0.000 1.150 351 G N -1.101 107.775 108.800 0.127 0.000 2.175 351 G HA2 -0.115 3.839 3.960 -0.010 0.000 0.244 351 G HA3 -0.115 3.839 3.960 -0.010 0.000 0.244 351 G C -0.121 174.825 174.900 0.076 0.000 0.982 351 G CA 0.113 45.287 45.100 0.123 0.000 0.641 351 G HN 0.795 nan 8.290 nan 0.000 0.527 352 V N -3.143 116.829 119.914 0.097 0.000 2.960 352 V HA 0.905 5.019 4.120 -0.010 0.000 0.315 352 V C 1.245 177.381 176.094 0.069 0.000 1.087 352 V CA -0.324 62.008 62.300 0.053 0.000 0.982 352 V CB 1.711 33.566 31.823 0.054 0.000 1.039 352 V HN -0.026 nan 8.190 nan 0.000 0.437 353 K N 1.531 121.972 120.400 0.067 0.000 2.025 353 K HA 0.149 4.463 4.320 -0.010 0.000 0.207 353 K C 0.283 177.050 176.600 0.279 0.000 1.049 353 K CA 2.315 58.705 56.287 0.172 0.000 0.933 353 K CB -0.341 32.305 32.500 0.242 0.000 0.714 353 K HN 0.919 nan 8.250 nan 0.000 0.438 354 Y N -2.872 117.487 120.300 0.099 0.000 2.625 354 Y HA 0.583 5.127 4.550 -0.010 0.000 0.338 354 Y C -0.792 175.182 175.900 0.124 0.000 1.123 354 Y CA -1.528 56.642 58.100 0.115 0.000 1.046 354 Y CB 1.134 39.662 38.460 0.113 0.000 1.299 354 Y HN -0.098 nan 8.280 nan 0.000 0.464 355 T N -1.138 113.573 114.554 0.262 0.000 2.908 355 T HA 0.645 4.989 4.350 -0.010 0.000 0.290 355 T C -1.199 173.660 174.700 0.264 0.000 1.034 355 T CA -0.745 61.457 62.100 0.169 0.000 1.010 355 T CB 2.323 71.281 68.868 0.151 0.000 1.068 355 T HN 0.916 nan 8.240 nan 0.000 0.481 356 E N 0.507 120.818 120.200 0.185 0.000 2.292 356 E HA 0.581 4.925 4.350 -0.010 0.000 0.272 356 E C -0.493 176.174 176.600 0.112 0.000 0.881 356 E CA -1.015 55.504 56.400 0.198 0.000 0.754 356 E CB 1.589 31.425 29.700 0.228 0.000 1.201 356 E HN 0.997 nan 8.360 nan 0.000 0.425 357 G N 3.046 111.911 108.800 0.108 0.000 2.348 357 G HA2 0.276 4.230 3.960 -0.010 0.000 0.312 357 G HA3 0.276 4.230 3.960 -0.010 0.000 0.312 357 G C -0.632 174.219 174.900 -0.082 0.000 1.126 357 G CA -0.590 44.459 45.100 -0.084 0.000 0.865 357 G HN 0.328 nan 8.290 nan 0.000 0.474 358 R N 2.914 123.321 120.500 -0.155 0.000 2.287 358 R HA 0.247 4.581 4.340 -0.010 0.000 0.327 358 R C -0.796 175.388 176.300 -0.194 0.000 1.109 358 R CA -0.431 55.587 56.100 -0.137 0.000 1.013 358 R CB -0.045 30.214 30.300 -0.069 0.000 1.126 358 R HN 0.421 nan 8.270 nan 0.000 0.503 359 F N 2.635 122.352 119.950 -0.388 0.000 2.375 359 F HA 0.297 4.818 4.527 -0.010 0.000 0.313 359 F C 1.023 176.786 175.800 -0.063 0.000 1.176 359 F CA -0.361 57.477 58.000 -0.270 0.000 1.142 359 F CB 0.753 39.491 39.000 -0.438 0.000 1.275 359 F HN 0.143 nan 8.300 nan 0.000 0.544 360 L N 2.378 123.813 121.223 0.354 0.000 2.334 360 L HA 0.462 4.796 4.340 -0.010 0.000 0.270 360 L C -2.245 175.001 176.870 0.627 0.000 1.018 360 L CA -2.070 53.016 54.840 0.411 0.000 0.811 360 L CB 1.491 43.715 42.059 0.275 0.000 1.271 360 L HN 0.300 nan 8.230 nan 0.000 0.443 361 P HA 0.008 nan 4.420 nan 0.000 0.277 361 P C -1.132 176.500 177.300 0.554 0.000 1.240 361 P CA -0.305 63.078 63.100 0.472 0.000 0.798 361 P CB 0.565 32.473 31.700 0.348 0.000 0.979 362 Y N 2.273 122.747 120.300 0.290 0.000 2.597 362 Y HA 0.075 4.619 4.550 -0.010 0.000 0.336 362 Y C 0.170 176.314 175.900 0.407 0.000 1.216 362 Y CA -0.133 58.084 58.100 0.196 0.000 1.463 362 Y CB -0.129 38.372 38.460 0.068 0.000 1.303 362 Y HN 0.150 nan 8.280 nan 0.000 0.576 363 F N 7.915 127.576 119.950 -0.481 0.000 2.600 363 F HA 0.229 4.750 4.527 -0.010 0.000 0.345 363 F C -0.554 175.079 175.800 -0.277 0.000 1.271 363 F CA -0.525 57.139 58.000 -0.561 0.000 1.138 363 F CB -1.517 37.186 39.000 -0.496 0.000 1.449 363 F HN 0.288 nan 8.300 nan 0.000 0.645 364 F N 3.395 123.318 119.950 -0.044 0.000 2.650 364 F HA 0.377 4.898 4.527 -0.010 0.000 0.310 364 F C -2.077 173.878 175.800 0.259 0.000 1.112 364 F CA -2.393 55.710 58.000 0.172 0.000 0.986 364 F CB 2.010 41.194 39.000 0.306 0.000 1.285 364 F HN -0.082 nan 8.300 nan 0.000 0.440 365 P HA -0.169 nan 4.420 nan 0.000 0.220 365 P C 1.066 178.495 177.300 0.215 0.000 1.144 365 P CA 1.708 64.823 63.100 0.025 0.000 0.800 365 P CB 0.185 31.782 31.700 -0.172 0.000 0.772 366 D N -1.010 119.565 120.400 0.292 0.000 2.182 366 D HA -0.150 4.484 4.640 -0.010 0.000 0.201 366 D C 1.599 178.111 176.300 0.352 0.000 0.986 366 D CA 2.044 56.236 54.000 0.320 0.000 0.847 366 D CB -0.083 40.976 40.800 0.433 0.000 0.942 366 D HN 0.215 nan 8.370 nan 0.000 0.467 367 T N -3.921 110.842 114.554 0.348 0.000 2.964 367 T HA 0.169 4.513 4.350 -0.010 0.000 0.250 367 T C 0.578 175.116 174.700 -0.271 0.000 0.982 367 T CA -0.454 61.717 62.100 0.119 0.000 0.959 367 T CB -0.333 68.523 68.868 -0.020 0.000 1.141 367 T HN -0.008 nan 8.240 nan 0.000 0.494 368 F N 3.842 123.680 119.950 -0.188 0.000 2.499 368 F HA 0.497 5.018 4.527 -0.010 0.000 0.353 368 F C -0.498 175.301 175.800 -0.002 0.000 1.196 368 F CA -1.403 56.285 58.000 -0.519 0.000 1.244 368 F CB -0.044 38.594 39.000 -0.603 0.000 1.577 368 F HN 0.313 nan 8.300 nan 0.000 0.614 369 Y N -0.881 119.522 120.300 0.173 0.000 2.524 369 Y HA 0.587 5.131 4.550 -0.010 0.000 0.347 369 Y C -0.394 175.689 175.900 0.305 0.000 1.005 369 Y CA -2.327 55.916 58.100 0.238 0.000 1.025 369 Y CB 0.626 39.146 38.460 0.100 0.000 1.275 369 Y HN 0.199 nan 8.280 nan 0.000 0.460 370 E N 1.717 122.098 120.200 0.301 0.000 2.652 370 E HA 0.344 4.688 4.350 -0.010 0.000 0.255 370 E C 1.179 177.832 176.600 0.088 0.000 0.952 370 E CA 2.277 58.745 56.400 0.113 0.000 0.947 370 E CB -0.018 29.724 29.700 0.070 0.000 0.912 370 E HN 1.185 nan 8.360 nan 0.000 0.489 371 G N 3.404 112.201 108.800 -0.006 0.000 2.217 371 G HA2 -0.329 3.625 3.960 -0.010 0.000 0.246 371 G HA3 -0.329 3.625 3.960 -0.010 0.000 0.246 371 G C 0.281 175.139 174.900 -0.070 0.000 0.990 371 G CA 0.141 45.237 45.100 -0.006 0.000 0.627 371 G HN 0.701 nan 8.290 nan 0.000 0.522 372 N N 0.914 119.462 118.700 -0.253 0.000 2.524 372 N HA 0.488 5.222 4.740 -0.010 0.000 0.283 372 N C -1.182 174.237 175.510 -0.153 0.000 1.142 372 N CA -0.431 52.389 53.050 -0.382 0.000 0.984 372 N CB 1.331 39.185 38.487 -1.055 0.000 1.155 372 N HN 0.076 nan 8.380 nan 0.000 0.467 373 D N 2.600 122.915 120.400 -0.141 0.000 2.479 373 D HA 0.380 5.015 4.640 -0.010 0.000 0.247 373 D C -2.058 174.152 176.300 -0.149 0.000 1.119 373 D CA -2.106 51.857 54.000 -0.061 0.000 0.922 373 D CB 1.087 41.887 40.800 0.000 0.000 1.014 373 D HN 0.363 nan 8.370 nan 0.000 0.510 374 P HA -0.074 nan 4.420 nan 0.000 0.234 374 P C 1.303 178.607 177.300 0.007 0.000 1.167 374 P CA 0.525 63.305 63.100 -0.534 0.000 0.763 374 P CB 0.192 30.906 31.700 -1.644 0.000 0.835 375 S N -1.078 114.770 115.700 0.246 0.000 2.423 375 S HA -0.122 4.342 4.470 -0.010 0.000 0.231 375 S C 1.820 176.545 174.600 0.208 0.000 1.014 375 S CA 0.699 59.110 58.200 0.352 0.000 0.965 375 S CB -1.380 61.951 63.200 0.218 0.000 0.785 375 S HN 0.051 nan 8.310 nan 0.000 0.495 376 I N 1.611 122.255 120.570 0.124 0.000 2.113 376 I HA -0.169 3.995 4.170 -0.010 0.000 0.238 376 I C 2.840 179.042 176.117 0.142 0.000 1.070 376 I CA 1.806 63.170 61.300 0.106 0.000 1.332 376 I CB -0.494 37.542 38.000 0.061 0.000 1.044 376 I HN 0.251 nan 8.210 nan 0.000 0.402 377 E N 1.007 121.281 120.200 0.123 0.000 2.070 377 E HA -0.213 4.131 4.350 -0.010 0.000 0.197 377 E C 2.202 178.968 176.600 0.276 0.000 1.004 377 E CA 1.604 58.101 56.400 0.162 0.000 0.805 377 E CB -0.716 29.048 29.700 0.107 0.000 0.744 377 E HN 0.567 nan 8.360 nan 0.000 0.451 378 G N 0.327 109.351 108.800 0.373 0.000 2.476 378 G HA2 -0.267 3.687 3.960 -0.010 0.000 0.218 378 G HA3 -0.267 3.687 3.960 -0.010 0.000 0.218 378 G C 1.524 176.664 174.900 0.402 0.000 1.164 378 G CA 0.970 46.375 45.100 0.509 0.000 0.768 378 G HN 0.184 nan 8.290 nan 0.000 0.560 379 L N -0.043 121.369 121.223 0.315 0.000 2.131 379 L HA 0.030 4.364 4.340 -0.010 0.000 0.206 379 L C 2.545 179.602 176.870 0.312 0.000 1.087 379 L CA 0.851 55.889 54.840 0.330 0.000 0.767 379 L CB -0.309 41.891 42.059 0.234 0.000 0.917 379 L HN 0.144 nan 8.230 nan 0.000 0.441 380 D N 0.585 121.130 120.400 0.240 0.000 2.106 380 D HA -0.274 4.360 4.640 -0.010 0.000 0.191 380 D C 1.869 178.299 176.300 0.216 0.000 0.997 380 D CA 1.499 55.614 54.000 0.193 0.000 0.834 380 D CB -0.139 40.753 40.800 0.154 0.000 0.956 380 D HN 0.211 nan 8.370 nan 0.000 0.448 381 N N -0.399 118.471 118.700 0.283 0.000 2.120 381 N HA -0.171 4.563 4.740 -0.010 0.000 0.188 381 N C 2.117 177.893 175.510 0.442 0.000 1.024 381 N CA 0.989 54.233 53.050 0.323 0.000 0.852 381 N CB -0.463 38.261 38.487 0.396 0.000 1.003 381 N HN 0.466 nan 8.380 nan 0.000 0.424 382 W N 1.974 123.445 121.300 0.286 0.000 2.358 382 W HA -0.155 4.500 4.660 -0.010 0.000 0.303 382 W C 1.947 178.597 176.519 0.218 0.000 1.208 382 W CA 0.749 58.257 57.345 0.271 0.000 1.274 382 W CB -0.109 29.463 29.460 0.188 0.000 1.138 382 W HN 0.104 nan 8.180 nan 0.000 0.515 383 R N 0.367 120.861 120.500 -0.010 0.000 2.075 383 R HA -0.141 4.193 4.340 -0.010 0.000 0.232 383 R C 2.266 178.472 176.300 -0.156 0.000 1.126 383 R CA 1.546 57.536 56.100 -0.182 0.000 0.963 383 R CB -0.408 29.885 30.300 -0.012 0.000 0.858 383 R HN 0.068 nan 8.270 nan 0.000 0.435 384 K N 0.092 120.463 120.400 -0.048 0.000 2.148 384 K HA -0.072 4.242 4.320 -0.010 0.000 0.204 384 K C 1.941 178.465 176.600 -0.127 0.000 1.050 384 K CA 1.401 57.641 56.287 -0.079 0.000 0.942 384 K CB 0.035 32.508 32.500 -0.044 0.000 0.724 384 K HN 0.152 nan 8.250 nan 0.000 0.446 385 A N 0.671 123.444 122.820 -0.078 0.000 1.903 385 A HA -0.065 4.250 4.320 -0.010 0.000 0.213 385 A C 2.003 179.480 177.584 -0.179 0.000 1.185 385 A CA 0.904 52.908 52.037 -0.056 0.000 0.628 385 A CB -0.361 18.762 19.000 0.207 0.000 0.830 385 A HN 0.194 nan 8.150 nan 0.000 0.446 386 R N 0.695 120.900 120.500 -0.492 0.000 2.096 386 R HA -0.244 4.090 4.340 -0.010 0.000 0.240 386 R C 2.428 178.526 176.300 -0.337 0.000 1.139 386 R CA 2.146 57.806 56.100 -0.732 0.000 0.952 386 R CB -0.372 29.160 30.300 -1.279 0.000 0.854 386 R HN 0.669 nan 8.270 nan 0.000 0.436 387 R N -0.275 120.070 120.500 -0.259 0.000 2.120 387 R HA -0.038 4.296 4.340 -0.010 0.000 0.234 387 R C 2.060 178.280 176.300 -0.133 0.000 1.123 387 R CA 1.415 57.421 56.100 -0.157 0.000 0.975 387 R CB -0.498 29.735 30.300 -0.111 0.000 0.866 387 R HN 0.232 nan 8.270 nan 0.000 0.446 388 A N 1.736 124.459 122.820 -0.161 0.000 1.897 388 A HA 0.031 4.345 4.320 -0.010 0.000 0.215 388 A C 2.218 179.737 177.584 -0.109 0.000 1.181 388 A CA 0.919 52.852 52.037 -0.173 0.000 0.620 388 A CB -0.349 18.500 19.000 -0.252 0.000 0.821 388 A HN 0.272 nan 8.150 nan 0.000 0.443 389 I N 0.058 120.584 120.570 -0.073 0.000 2.335 389 I HA -0.281 3.883 4.170 -0.010 0.000 0.251 389 I C 2.149 178.279 176.117 0.022 0.000 1.129 389 I CA 1.045 62.348 61.300 0.004 0.000 1.402 389 I CB -0.271 37.769 38.000 0.068 0.000 1.069 389 I HN 0.286 nan 8.210 nan 0.000 0.424 390 L N -0.059 121.173 121.223 0.015 0.000 2.201 390 L HA -0.137 4.197 4.340 -0.010 0.000 0.212 390 L C 2.534 179.438 176.870 0.057 0.000 1.105 390 L CA 0.848 55.750 54.840 0.104 0.000 0.775 390 L CB -0.523 41.583 42.059 0.078 0.000 0.913 390 L HN 0.213 nan 8.230 nan 0.000 0.440 391 R N -0.871 119.626 120.500 -0.004 0.000 2.161 391 R HA 0.140 4.474 4.340 -0.010 0.000 0.213 391 R C 0.743 177.058 176.300 0.026 0.000 1.055 391 R CA 0.362 56.457 56.100 -0.008 0.000 0.996 391 R CB -0.165 30.126 30.300 -0.015 0.000 0.901 391 R HN 0.138 nan 8.270 nan 0.000 0.456 392 S N 1.031 116.746 115.700 0.024 0.000 2.536 392 S HA 0.373 4.838 4.470 -0.010 0.000 0.246 392 S C -2.882 171.752 174.600 0.055 0.000 1.077 392 S CA -1.296 56.934 58.200 0.050 0.000 1.091 392 S CB 1.391 64.622 63.200 0.052 0.000 1.148 392 S HN -0.184 nan 8.310 nan 0.000 0.447 393 P HA 0.295 nan 4.420 nan 0.000 0.271 393 P C -0.367 177.041 177.300 0.179 0.000 1.216 393 P CA -0.313 62.836 63.100 0.081 0.000 0.776 393 P CB 0.243 31.926 31.700 -0.028 0.000 0.881 394 I N -1.119 119.610 120.570 0.264 0.000 2.428 394 I HA 0.347 4.511 4.170 -0.010 0.000 0.296 394 I C 0.836 177.243 176.117 0.484 0.000 0.985 394 I CA -0.329 61.180 61.300 0.347 0.000 1.260 394 I CB 1.620 39.843 38.000 0.370 0.000 1.389 394 I HN 0.104 nan 8.210 nan 0.000 0.484 395 S N 3.742 119.689 115.700 0.410 0.000 2.383 395 S HA 0.055 4.519 4.470 -0.010 0.000 0.227 395 S C 0.672 175.462 174.600 0.316 0.000 1.026 395 S CA 0.872 59.266 58.200 0.324 0.000 0.981 395 S CB -0.204 63.199 63.200 0.338 0.000 0.818 395 S HN 0.676 nan 8.310 nan 0.000 0.472 396 R N -0.407 120.349 120.500 0.426 0.000 2.799 396 R HA 0.647 4.981 4.340 -0.010 0.000 0.270 396 R C -0.778 175.528 176.300 0.010 0.000 1.010 396 R CA -0.594 55.638 56.100 0.220 0.000 0.916 396 R CB 1.742 32.141 30.300 0.164 0.000 1.228 396 R HN 0.241 nan 8.270 nan 0.000 0.469 397 M N -1.144 118.143 119.600 -0.523 0.000 2.719 397 M HA 0.923 5.397 4.480 -0.010 0.000 0.291 397 M C -0.504 175.379 176.300 -0.696 0.000 1.264 397 M CA -0.634 54.312 55.300 -0.589 0.000 0.811 397 M CB 2.760 34.577 32.600 -1.305 0.000 1.756 397 M HN 0.663 nan 8.290 nan 0.000 0.464 398 G N -0.176 108.169 108.800 -0.758 0.000 2.322 398 G HA2 0.519 4.473 3.960 -0.010 0.000 0.295 398 G HA3 0.519 4.473 3.960 -0.010 0.000 0.295 398 G C -2.600 171.823 174.900 -0.795 0.000 1.369 398 G CA -0.753 43.792 45.100 -0.925 0.000 0.821 398 G HN 0.777 nan 8.290 nan 0.000 0.536 399 Y N -1.064 118.985 120.300 -0.417 0.000 2.605 399 Y HA 0.773 5.317 4.550 -0.010 0.000 0.343 399 Y C 0.805 176.459 175.900 -0.410 0.000 1.036 399 Y CA -0.029 57.828 58.100 -0.404 0.000 1.065 399 Y CB 2.591 40.650 38.460 -0.669 0.000 1.288 399 Y HN 0.928 nan 8.280 nan 0.000 0.481 400 G N -0.788 107.851 108.800 -0.267 0.000 2.630 400 G HA2 0.634 4.588 3.960 -0.010 0.000 0.296 400 G HA3 0.634 4.588 3.960 -0.010 0.000 0.296 400 G C -0.300 174.303 174.900 -0.494 0.000 1.285 400 G CA -0.368 44.631 45.100 -0.167 0.000 0.958 400 G HN 1.226 nan 8.290 nan 0.000 0.479 401 G N -1.223 107.331 108.800 -0.410 0.000 2.384 401 G HA2 0.039 3.993 3.960 -0.010 0.000 0.200 401 G HA3 0.039 3.993 3.960 -0.010 0.000 0.200 401 G C -1.180 173.492 174.900 -0.380 0.000 1.205 401 G CA -0.588 44.056 45.100 -0.761 0.000 1.116 401 G HN 0.902 nan 8.290 nan 0.000 0.547 402 Y N 1.020 121.314 120.300 -0.010 0.000 2.477 402 Y HA 0.492 5.036 4.550 -0.010 0.000 0.349 402 Y C 1.599 177.488 175.900 -0.019 0.000 0.977 402 Y CA -0.295 57.790 58.100 -0.025 0.000 1.214 402 Y CB 1.196 39.600 38.460 -0.093 0.000 1.124 402 Y HN 0.561 nan 8.280 nan 0.000 0.521 403 L N 2.244 123.566 121.223 0.166 0.000 2.079 403 L HA -0.247 4.087 4.340 -0.010 0.000 0.210 403 L C 2.323 179.145 176.870 -0.079 0.000 1.081 403 L CA 2.264 57.202 54.840 0.164 0.000 0.752 403 L CB -0.737 41.516 42.059 0.324 0.000 0.896 403 L HN 0.729 nan 8.230 nan 0.000 0.433 404 S N -1.404 113.973 115.700 -0.538 0.000 2.383 404 S HA -0.239 4.225 4.470 -0.010 0.000 0.229 404 S C 2.006 176.482 174.600 -0.207 0.000 1.030 404 S CA 1.473 59.242 58.200 -0.718 0.000 1.002 404 S CB -0.967 61.650 63.200 -0.972 0.000 0.829 404 S HN 0.364 nan 8.310 nan 0.000 0.467 405 L N 1.967 123.077 121.223 -0.187 0.000 2.005 405 L HA 0.194 4.528 4.340 -0.010 0.000 0.207 405 L C 2.880 179.646 176.870 -0.172 0.000 1.072 405 L CA 1.762 56.518 54.840 -0.141 0.000 0.744 405 L CB -1.179 40.764 42.059 -0.192 0.000 0.895 405 L HN 0.358 nan 8.230 nan 0.000 0.433 406 A N -0.673 121.788 122.820 -0.599 0.000 1.933 406 A HA -0.153 4.161 4.320 -0.010 0.000 0.218 406 A C 2.367 179.966 177.584 0.026 0.000 1.175 406 A CA 1.621 53.244 52.037 -0.689 0.000 0.628 406 A CB -1.146 16.924 19.000 -1.551 0.000 0.814 406 A HN 0.513 nan 8.150 nan 0.000 0.444 407 A N -0.484 122.358 122.820 0.036 0.000 2.131 407 A HA -0.150 4.164 4.320 -0.010 0.000 0.220 407 A C 1.933 179.619 177.584 0.171 0.000 1.158 407 A CA 1.711 53.829 52.037 0.134 0.000 0.665 407 A CB -0.389 18.756 19.000 0.242 0.000 0.795 407 A HN 0.571 nan 8.150 nan 0.000 0.460 408 K N -1.685 118.857 120.400 0.237 0.000 2.426 408 K HA 0.153 4.467 4.320 -0.010 0.000 0.193 408 K C -0.848 175.779 176.600 0.046 0.000 1.028 408 K CA 0.127 56.499 56.287 0.142 0.000 1.047 408 K CB 0.127 32.685 32.500 0.096 0.000 0.821 408 K HN 0.505 nan 8.250 nan 0.000 0.513 409 F N 1.681 121.720 119.950 0.148 0.000 2.310 409 F HA 0.201 4.722 4.527 -0.010 0.000 0.365 409 F C -1.641 174.268 175.800 0.182 0.000 1.080 409 F CA -2.369 55.730 58.000 0.165 0.000 1.187 409 F CB 1.356 40.490 39.000 0.223 0.000 1.465 409 F HN -0.102 nan 8.300 nan 0.000 0.496 410 P HA -0.200 nan 4.420 nan 0.000 0.218 410 P C 1.596 178.989 177.300 0.155 0.000 1.149 410 P CA 1.311 64.495 63.100 0.140 0.000 0.817 410 P CB 0.350 32.083 31.700 0.056 0.000 0.785 411 K N -1.135 119.366 120.400 0.168 0.000 2.057 411 K HA -0.139 4.175 4.320 -0.010 0.000 0.206 411 K C 2.075 178.782 176.600 0.178 0.000 1.050 411 K CA 0.989 57.361 56.287 0.142 0.000 0.935 411 K CB -0.536 32.039 32.500 0.125 0.000 0.715 411 K HN -0.068 nan 8.250 nan 0.000 0.439 412 F N 1.283 121.322 119.950 0.148 0.000 2.102 412 F HA -0.222 4.299 4.527 -0.010 0.000 0.298 412 F C 1.876 177.781 175.800 0.175 0.000 1.105 412 F CA 1.205 59.289 58.000 0.141 0.000 1.239 412 F CB -0.393 38.712 39.000 0.174 0.000 0.991 412 F HN -0.224 nan 8.300 nan 0.000 0.474 413 V N 0.211 120.265 119.914 0.233 0.000 2.332 413 V HA -0.356 3.759 4.120 -0.010 0.000 0.248 413 V C 1.977 178.211 176.094 0.234 0.000 1.055 413 V CA 2.426 64.928 62.300 0.337 0.000 1.038 413 V CB -0.795 31.190 31.823 0.270 0.000 0.651 413 V HN 0.299 nan 8.190 nan 0.000 0.450 414 D N -0.596 119.865 120.400 0.102 0.000 2.097 414 D HA -0.143 4.491 4.640 -0.010 0.000 0.197 414 D C 2.281 178.568 176.300 -0.023 0.000 0.984 414 D CA 1.714 55.750 54.000 0.060 0.000 0.826 414 D CB -0.152 40.672 40.800 0.041 0.000 0.973 414 D HN 0.372 nan 8.370 nan 0.000 0.460 415 T N -0.360 114.126 114.554 -0.114 0.000 2.653 415 T HA -0.183 4.161 4.350 -0.010 0.000 0.268 415 T C 2.053 176.583 174.700 -0.283 0.000 1.035 415 T CA 1.143 63.134 62.100 -0.181 0.000 1.154 415 T CB -0.462 68.280 68.868 -0.211 0.000 0.862 415 T HN -0.012 nan 8.240 nan 0.000 0.441 416 V N 1.436 121.013 119.914 -0.563 0.000 2.427 416 V HA -0.181 3.933 4.120 -0.010 0.000 0.248 416 V C 2.736 178.412 176.094 -0.696 0.000 1.051 416 V CA 1.959 63.763 62.300 -0.827 0.000 1.048 416 V CB -1.255 29.620 31.823 -1.581 0.000 0.666 416 V HN 0.556 nan 8.190 nan 0.000 0.456 417 T N -0.633 113.729 114.554 -0.319 0.000 2.652 417 T HA -0.311 4.033 4.350 -0.010 0.000 0.267 417 T C 1.835 176.473 174.700 -0.104 0.000 1.039 417 T CA 2.348 64.408 62.100 -0.067 0.000 1.153 417 T CB -0.441 68.509 68.868 0.136 0.000 0.863 417 T HN 0.772 nan 8.240 nan 0.000 0.428 418 H N 0.968 119.947 119.070 -0.152 0.000 2.319 418 H HA -0.034 4.516 4.556 -0.010 0.000 0.299 418 H C 2.071 177.270 175.328 -0.216 0.000 1.092 418 H CA 1.748 57.719 56.048 -0.129 0.000 1.302 418 H CB -0.500 29.213 29.762 -0.082 0.000 1.373 418 H HN 0.348 nan 8.280 nan 0.000 0.497 419 I N 0.462 120.828 120.570 -0.340 0.000 2.142 419 I HA -0.274 3.890 4.170 -0.010 0.000 0.240 419 I C 2.849 178.595 176.117 -0.618 0.000 1.078 419 I CA 1.107 61.993 61.300 -0.689 0.000 1.343 419 I CB -0.650 36.934 38.000 -0.694 0.000 1.046 419 I HN 0.497 nan 8.210 nan 0.000 0.405 420 A N 1.025 123.599 122.820 -0.410 0.000 1.917 420 A HA -0.246 4.068 4.320 -0.010 0.000 0.219 420 A C 2.069 179.571 177.584 -0.137 0.000 1.182 420 A CA 2.160 54.056 52.037 -0.236 0.000 0.633 420 A CB -0.750 18.061 19.000 -0.315 0.000 0.819 420 A HN 0.447 nan 8.150 nan 0.000 0.448 421 N N -0.468 118.125 118.700 -0.179 0.000 2.142 421 N HA -0.152 4.582 4.740 -0.010 0.000 0.186 421 N C 1.754 177.208 175.510 -0.093 0.000 1.023 421 N CA 1.550 54.532 53.050 -0.114 0.000 0.852 421 N CB -0.422 38.000 38.487 -0.109 0.000 0.998 421 N HN 0.774 nan 8.380 nan 0.000 0.424 422 E N -0.210 119.882 120.200 -0.180 0.000 2.106 422 E HA -0.135 4.209 4.350 -0.010 0.000 0.192 422 E C 1.788 178.447 176.600 0.098 0.000 0.984 422 E CA 0.466 56.832 56.400 -0.057 0.000 0.806 422 E CB -0.138 29.495 29.700 -0.112 0.000 0.750 422 E HN 0.266 nan 8.360 nan 0.000 0.458 423 F N 1.431 121.295 119.950 -0.142 0.000 2.095 423 F HA -0.202 4.319 4.527 -0.010 0.000 0.298 423 F C 2.359 178.199 175.800 0.067 0.000 1.104 423 F CA 1.734 59.731 58.000 -0.006 0.000 1.232 423 F CB 0.045 38.910 39.000 -0.225 0.000 0.987 423 F HN -0.103 nan 8.300 nan 0.000 0.475 424 R N -0.169 120.475 120.500 0.240 0.000 2.075 424 R HA -0.172 4.163 4.340 -0.010 0.000 0.232 424 R C 1.955 178.268 176.300 0.022 0.000 1.126 424 R CA 1.617 57.796 56.100 0.132 0.000 0.963 424 R CB -0.738 29.615 30.300 0.088 0.000 0.858 424 R HN 0.294 nan 8.270 nan 0.000 0.435 425 D N 0.687 121.075 120.400 -0.018 0.000 2.116 425 D HA -0.162 4.472 4.640 -0.010 0.000 0.193 425 D C 1.714 177.895 176.300 -0.199 0.000 0.998 425 D CA 1.290 55.221 54.000 -0.115 0.000 0.836 425 D CB -0.011 40.731 40.800 -0.097 0.000 0.951 425 D HN 0.120 nan 8.370 nan 0.000 0.449 426 I N -0.212 120.321 120.570 -0.062 0.000 2.127 426 I HA -0.293 3.871 4.170 -0.010 0.000 0.241 426 I C 2.482 178.482 176.117 -0.196 0.000 1.075 426 I CA 1.223 62.492 61.300 -0.052 0.000 1.334 426 I CB -0.428 37.650 38.000 0.130 0.000 1.040 426 I HN 0.255 nan 8.210 nan 0.000 0.405 427 H N 0.701 119.644 119.070 -0.212 0.000 2.319 427 H HA -0.186 4.364 4.556 -0.010 0.000 0.299 427 H C 1.896 177.109 175.328 -0.192 0.000 1.092 427 H CA 2.079 58.016 56.048 -0.186 0.000 1.302 427 H CB -0.057 29.624 29.762 -0.136 0.000 1.373 427 H HN 0.344 nan 8.280 nan 0.000 0.497 428 D N 0.276 120.633 120.400 -0.072 0.000 2.097 428 D HA -0.117 4.517 4.640 -0.010 0.000 0.195 428 D C 2.346 178.505 176.300 -0.236 0.000 0.989 428 D CA 0.913 54.838 54.000 -0.125 0.000 0.827 428 D CB -0.285 40.444 40.800 -0.119 0.000 0.966 428 D HN 0.313 nan 8.370 nan 0.000 0.456 429 R N -0.494 119.769 120.500 -0.394 0.000 2.189 429 R HA -0.003 4.331 4.340 -0.010 0.000 0.223 429 R C 1.681 177.684 176.300 -0.496 0.000 1.092 429 R CA 1.016 56.793 56.100 -0.537 0.000 0.989 429 R CB -0.007 29.686 30.300 -1.012 0.000 0.876 429 R HN 0.055 nan 8.270 nan 0.000 0.457 430 T N -1.783 112.482 114.554 -0.482 0.000 2.971 430 T HA 0.163 4.507 4.350 -0.010 0.000 0.252 430 T C 0.982 175.502 174.700 -0.300 0.000 1.022 430 T CA 0.665 62.435 62.100 -0.550 0.000 0.980 430 T CB 0.777 69.192 68.868 -0.754 0.000 1.044 430 T HN 0.491 nan 8.240 nan 0.000 0.501 431 G N 1.185 109.853 108.800 -0.220 0.000 2.175 431 G HA2 -0.140 3.814 3.960 -0.010 0.000 0.265 431 G HA3 -0.140 3.814 3.960 -0.010 0.000 0.265 431 G C 1.010 175.839 174.900 -0.118 0.000 0.979 431 G CA 0.483 45.514 45.100 -0.116 0.000 0.663 431 G HN 1.416 nan 8.290 nan 0.000 0.533 432 G N -2.409 106.208 108.800 -0.305 0.000 2.176 432 G HA2 0.011 3.966 3.960 -0.010 0.000 0.252 432 G HA3 0.011 3.966 3.960 -0.010 0.000 0.252 432 G C 0.370 175.177 174.900 -0.154 0.000 1.024 432 G CA 0.626 45.461 45.100 -0.441 0.000 0.755 432 G HN 1.601 nan 8.290 nan 0.000 0.507 433 V N 0.598 120.466 119.914 -0.077 0.000 2.567 433 V HA 0.720 4.834 4.120 -0.010 0.000 0.289 433 V C 1.117 177.307 176.094 0.159 0.000 1.049 433 V CA -0.165 62.165 62.300 0.050 0.000 0.969 433 V CB 1.563 33.434 31.823 0.079 0.000 0.995 433 V HN 1.086 nan 8.190 nan 0.000 0.471 434 A N 3.839 126.733 122.820 0.123 0.000 2.407 434 A HA 0.671 4.986 4.320 -0.010 0.000 0.248 434 A C 0.628 178.237 177.584 0.041 0.000 1.082 434 A CA 0.248 52.351 52.037 0.110 0.000 0.785 434 A CB 0.189 19.224 19.000 0.059 0.000 1.020 434 A HN 1.351 nan 8.150 nan 0.000 0.489 435 A N 1.380 124.099 122.820 -0.169 0.000 2.425 435 A HA 0.458 4.772 4.320 -0.010 0.000 0.242 435 A C 0.613 177.994 177.584 -0.338 0.000 1.077 435 A CA 0.156 51.793 52.037 -0.666 0.000 0.781 435 A CB -0.117 18.414 19.000 -0.781 0.000 1.020 435 A HN 0.986 nan 8.150 nan 0.000 0.494 436 E N 1.306 121.289 120.200 -0.363 0.000 2.384 436 E HA 0.378 4.722 4.350 -0.010 0.000 0.266 436 E C 0.354 176.895 176.600 -0.099 0.000 1.012 436 E CA -0.071 56.226 56.400 -0.171 0.000 0.901 436 E CB 0.615 30.232 29.700 -0.138 0.000 0.967 436 E HN 0.626 nan 8.360 nan 0.000 0.435 437 G N 2.588 111.368 108.800 -0.034 0.000 2.356 437 G HA2 0.107 4.061 3.960 -0.010 0.000 0.298 437 G HA3 0.107 4.061 3.960 -0.010 0.000 0.298 437 G C 0.261 175.182 174.900 0.035 0.000 1.145 437 G CA -0.595 44.506 45.100 0.002 0.000 0.850 437 G HN 0.633 nan 8.290 nan 0.000 0.487 438 E N 0.903 121.145 120.200 0.071 0.000 2.447 438 E HA 0.159 4.503 4.350 -0.010 0.000 0.195 438 E C 0.613 177.219 176.600 0.011 0.000 1.028 438 E CA 0.384 56.859 56.400 0.125 0.000 0.876 438 E CB 0.413 30.310 29.700 0.329 0.000 0.885 438 E HN 0.387 nan 8.360 nan 0.000 0.500 439 L N 0.441 121.620 121.223 -0.074 0.000 2.540 439 L HA 0.362 4.696 4.340 -0.010 0.000 0.256 439 L C -0.784 176.043 176.870 -0.073 0.000 1.001 439 L CA -0.973 53.789 54.840 -0.129 0.000 0.843 439 L CB 1.912 43.785 42.059 -0.310 0.000 1.436 439 L HN -0.267 nan 8.230 nan 0.000 0.410 440 N N 1.166 119.838 118.700 -0.047 0.000 2.444 440 N HA 0.508 5.243 4.740 -0.010 0.000 0.262 440 N C -1.089 174.392 175.510 -0.048 0.000 0.974 440 N CA -0.223 52.807 53.050 -0.034 0.000 0.933 440 N CB 2.259 40.743 38.487 -0.004 0.000 1.137 440 N HN 0.163 nan 8.380 nan 0.000 0.498 441 V N 1.010 120.870 119.914 -0.089 0.000 2.495 441 V HA 0.792 4.906 4.120 -0.010 0.000 0.298 441 V C -0.201 175.764 176.094 -0.214 0.000 1.031 441 V CA -0.931 61.293 62.300 -0.126 0.000 0.871 441 V CB 1.606 33.348 31.823 -0.136 0.000 0.988 441 V HN 0.715 nan 8.190 nan 0.000 0.432 442 A N 5.868 128.553 122.820 -0.225 0.000 2.330 442 A HA 0.812 5.126 4.320 -0.010 0.000 0.313 442 A C -0.767 176.604 177.584 -0.354 0.000 1.124 442 A CA -0.538 51.311 52.037 -0.313 0.000 0.774 442 A CB 0.838 19.693 19.000 -0.242 0.000 1.198 442 A HN 0.664 nan 8.150 nan 0.000 0.465 443 I N 3.184 123.437 120.570 -0.527 0.000 2.331 443 I HA 0.237 4.401 4.170 -0.010 0.000 0.292 443 I C -0.694 175.240 176.117 -0.305 0.000 0.998 443 I CA -0.357 60.684 61.300 -0.433 0.000 1.267 443 I CB 1.294 38.912 38.000 -0.638 0.000 1.386 443 I HN 0.594 nan 8.210 nan 0.000 0.476 444 L N 8.991 130.077 121.223 -0.227 0.000 2.305 444 L HA 0.488 4.822 4.340 -0.010 0.000 0.284 444 L C -0.610 176.044 176.870 -0.360 0.000 1.013 444 L CA 0.124 54.776 54.840 -0.313 0.000 0.819 444 L CB 0.828 42.757 42.059 -0.217 0.000 1.227 444 L HN 0.789 nan 8.230 nan 0.000 0.417 445 N N 1.060 119.423 118.700 -0.562 0.000 3.243 445 N HA 0.343 5.078 4.740 -0.010 0.000 0.280 445 N C -0.103 175.054 175.510 -0.589 0.000 1.545 445 N CA -0.275 52.520 53.050 -0.425 0.000 0.854 445 N CB 0.578 39.039 38.487 -0.042 0.000 1.612 445 N HN 0.164 nan 8.380 nan 0.000 0.577 446 S N -1.392 114.156 115.700 -0.253 0.000 2.428 446 S HA 0.014 4.478 4.470 -0.010 0.000 0.230 446 S C 0.671 175.011 174.600 -0.434 0.000 1.014 446 S CA 0.790 58.815 58.200 -0.291 0.000 0.957 446 S CB -0.488 62.416 63.200 -0.494 0.000 0.784 446 S HN 0.576 nan 8.310 nan 0.000 0.499 447 W N 1.461 122.631 121.300 -0.216 0.000 2.525 447 W HA 0.333 4.987 4.660 -0.010 0.000 0.288 447 W C 1.855 178.266 176.519 -0.180 0.000 1.200 447 W CA 0.552 57.779 57.345 -0.196 0.000 1.349 447 W CB -0.715 28.606 29.460 -0.232 0.000 1.102 447 W HN 0.457 nan 8.180 nan 0.000 0.558 448 G N 0.949 109.765 108.800 0.027 0.000 2.550 448 G HA2 -0.478 3.476 3.960 -0.010 0.000 0.277 448 G HA3 -0.478 3.476 3.960 -0.010 0.000 0.277 448 G C 0.921 175.809 174.900 -0.019 0.000 1.190 448 G CA 0.866 45.951 45.100 -0.025 0.000 0.971 448 G HN 0.211 nan 8.290 nan 0.000 0.559 449 K N 0.603 120.995 120.400 -0.013 0.000 2.147 449 K HA -0.039 4.275 4.320 -0.010 0.000 0.205 449 K C 2.840 179.375 176.600 -0.109 0.000 1.049 449 K CA 2.227 58.487 56.287 -0.044 0.000 0.936 449 K CB -0.320 32.203 32.500 0.038 0.000 0.722 449 K HN 0.650 nan 8.250 nan 0.000 0.446 450 M N -0.816 118.771 119.600 -0.023 0.000 2.358 450 M HA -0.053 4.421 4.480 -0.010 0.000 0.264 450 M C 0.548 176.757 176.300 -0.151 0.000 1.064 450 M CA 1.366 56.665 55.300 -0.001 0.000 1.093 450 M CB 0.138 32.765 32.600 0.044 0.000 1.401 450 M HN -0.133 nan 8.290 nan 0.000 0.440 451 R N 1.576 121.897 120.500 -0.297 0.000 2.865 451 R HA 0.395 4.729 4.340 -0.010 0.000 0.370 451 R C -0.602 175.245 176.300 -0.755 0.000 1.168 451 R CA -0.109 55.701 56.100 -0.483 0.000 1.058 451 R CB 0.190 30.136 30.300 -0.590 0.000 1.419 451 R HN 0.274 nan 8.270 nan 0.000 0.580 452 S N 0.444 115.501 115.700 -1.070 0.000 2.544 452 S HA -0.064 4.400 4.470 -0.010 0.000 0.290 452 S C 0.179 173.994 174.600 -1.308 0.000 1.276 452 S CA 0.058 57.205 58.200 -1.756 0.000 1.075 452 S CB 0.040 62.261 63.200 -1.632 0.000 0.849 452 S HN 0.609 nan 8.310 nan 0.000 0.494 453 W N 0.904 121.288 121.300 -1.525 0.000 3.520 453 W HA -0.290 4.364 4.660 -0.010 0.000 0.305 453 W C 0.859 177.209 176.519 -0.282 0.000 1.150 453 W CA 0.192 57.204 57.345 -0.555 0.000 0.656 453 W CB -1.979 27.317 29.460 -0.272 0.000 2.198 453 W HN 0.618 nan 8.180 nan 0.000 1.417 454 M N -0.691 118.775 119.600 -0.223 0.000 2.292 454 M HA 0.311 4.785 4.480 -0.010 0.000 0.286 454 M C 1.465 177.672 176.300 -0.155 0.000 1.002 454 M CA 0.426 55.742 55.300 0.025 0.000 1.029 454 M CB 0.306 32.882 32.600 -0.041 0.000 1.537 454 M HN 0.086 nan 8.290 nan 0.000 0.543 455 A N 0.304 122.881 122.820 -0.405 0.000 2.498 455 A HA 0.275 4.589 4.320 -0.010 0.000 0.239 455 A C 0.072 177.104 177.584 -0.920 0.000 1.068 455 A CA 0.265 51.709 52.037 -0.987 0.000 0.766 455 A CB -0.439 17.779 19.000 -1.305 0.000 1.003 455 A HN 0.609 nan 8.150 nan 0.000 0.497 456 F N -0.734 118.478 119.950 -1.230 0.000 2.656 456 F HA -0.201 4.320 4.527 -0.010 0.000 0.381 456 F C 0.988 177.008 175.800 0.366 0.000 0.603 456 F CA 1.082 58.786 58.000 -0.494 0.000 1.335 456 F CB -2.571 36.361 39.000 -0.114 0.000 1.836 456 F HN 0.532 nan 8.300 nan 0.000 0.290 457 T N 0.947 115.790 114.554 0.482 0.000 2.869 457 T HA 0.523 4.868 4.350 -0.010 0.000 0.295 457 T C 1.188 176.282 174.700 0.657 0.000 0.987 457 T CA 0.106 62.501 62.100 0.491 0.000 1.109 457 T CB 2.259 71.391 68.868 0.440 0.000 0.932 457 T HN 0.007 nan 8.240 nan 0.000 0.518 458 V N 1.919 122.058 119.914 0.375 0.000 2.988 458 V HA 0.449 4.563 4.120 -0.010 0.000 0.223 458 V C 1.038 177.196 176.094 0.106 0.000 1.144 458 V CA 0.236 62.710 62.300 0.290 0.000 1.242 458 V CB -0.385 31.528 31.823 0.150 0.000 1.073 458 V HN 0.923 nan 8.190 nan 0.000 0.508 459 A N -0.354 122.455 122.820 -0.018 0.000 2.306 459 A HA 0.436 4.750 4.320 -0.010 0.000 0.314 459 A C -0.070 177.338 177.584 -0.292 0.000 1.164 459 A CA -0.304 51.654 52.037 -0.132 0.000 0.822 459 A CB -0.034 18.909 19.000 -0.096 0.000 1.130 459 A HN 0.557 nan 8.150 nan 0.000 0.496 460 H N 1.961 120.633 119.070 -0.662 0.000 3.107 460 H HA 0.165 4.715 4.556 -0.010 0.000 0.301 460 H C 1.187 176.179 175.328 -0.560 0.000 0.981 460 H CA 1.570 57.049 56.048 -0.949 0.000 1.443 460 H CB 0.338 29.120 29.762 -1.633 0.000 1.479 460 H HN 1.443 nan 8.280 nan 0.000 0.564 461 A N 4.575 126.908 122.820 -0.812 0.000 2.861 461 A HA -0.204 4.110 4.320 -0.010 0.000 0.261 461 A C 0.267 177.654 177.584 -0.328 0.000 1.351 461 A CA 1.116 52.850 52.037 -0.505 0.000 0.904 461 A CB -1.924 16.852 19.000 -0.373 0.000 1.076 461 A HN 0.652 nan 8.150 nan 0.000 0.729 462 L N 0.699 121.715 121.223 -0.344 0.000 2.637 462 L HA 0.311 4.645 4.340 -0.010 0.000 0.241 462 L C -1.971 174.750 176.870 -0.249 0.000 1.398 462 L CA -1.645 53.055 54.840 -0.234 0.000 0.895 462 L CB 1.049 43.011 42.059 -0.161 0.000 1.183 462 L HN 0.250 nan 8.230 nan 0.000 0.497 463 P HA 0.172 nan 4.420 nan 0.000 0.272 463 P C -1.027 176.217 177.300 -0.092 0.000 1.223 463 P CA -0.087 62.864 63.100 -0.249 0.000 0.784 463 P CB 1.156 32.686 31.700 -0.283 0.000 0.923 464 N N -0.210 118.485 118.700 -0.009 0.000 3.229 464 N HA 0.194 4.928 4.740 -0.010 0.000 0.315 464 N C 0.803 176.354 175.510 0.068 0.000 1.520 464 N CA -0.940 52.097 53.050 -0.022 0.000 0.769 464 N CB 0.467 38.931 38.487 -0.038 0.000 1.766 464 N HN 0.266 nan 8.380 nan 0.000 0.618 465 K N -0.765 119.648 120.400 0.021 0.000 2.074 465 K HA -0.206 4.108 4.320 -0.010 0.000 0.209 465 K C 1.047 177.798 176.600 0.253 0.000 1.048 465 K CA 1.897 58.252 56.287 0.114 0.000 0.926 465 K CB -0.094 32.432 32.500 0.043 0.000 0.713 465 K HN 0.510 nan 8.250 nan 0.000 0.444 466 Q N -0.547 119.330 119.800 0.128 0.000 2.311 466 Q HA -0.042 4.292 4.340 -0.010 0.000 0.203 466 Q C 1.749 177.840 176.000 0.152 0.000 0.954 466 Q CA 1.679 57.536 55.803 0.091 0.000 0.885 466 Q CB 0.397 29.111 28.738 -0.039 0.000 0.963 466 Q HN 0.622 nan 8.270 nan 0.000 0.471 467 T N -3.670 111.011 114.554 0.211 0.000 2.969 467 T HA -0.008 4.336 4.350 -0.010 0.000 0.250 467 T C 1.682 176.562 174.700 0.299 0.000 1.021 467 T CA 0.098 62.414 62.100 0.360 0.000 1.003 467 T CB -0.497 68.605 68.868 0.390 0.000 1.040 467 T HN 0.402 nan 8.240 nan 0.000 0.492 468 Y N 2.012 122.360 120.300 0.080 0.000 2.333 468 Y HA 0.172 4.716 4.550 -0.010 0.000 0.290 468 Y C 2.142 178.039 175.900 -0.005 0.000 1.144 468 Y CA 0.681 58.825 58.100 0.075 0.000 1.228 468 Y CB -0.680 37.806 38.460 0.043 0.000 0.985 468 Y HN 0.148 nan 8.280 nan 0.000 0.542 469 S N -0.218 114.999 115.700 -0.805 0.000 2.474 469 S HA -0.079 4.385 4.470 -0.010 0.000 0.235 469 S C 0.837 174.959 174.600 -0.797 0.000 0.997 469 S CA 1.212 58.858 58.200 -0.924 0.000 0.949 469 S CB -0.385 62.199 63.200 -1.027 0.000 0.766 469 S HN 0.617 nan 8.310 nan 0.000 0.517 470 Y N -1.751 118.333 120.300 -0.360 0.000 2.539 470 Y HA 0.276 4.820 4.550 -0.011 0.000 0.284 470 Y C 1.912 177.433 175.900 -0.631 0.000 1.134 470 Y CA -0.807 56.844 58.100 -0.748 0.000 1.251 470 Y CB -0.898 36.728 38.460 -1.390 0.000 1.260 470 Y HN 0.173 nan 8.280 nan 0.000 0.528 471 Y N 1.147 121.323 120.300 -0.207 0.000 2.193 471 Y HA -0.201 4.343 4.550 -0.010 0.000 0.285 471 Y C 2.430 178.379 175.900 0.081 0.000 1.166 471 Y CA 1.630 59.777 58.100 0.077 0.000 1.181 471 Y CB -0.681 37.871 38.460 0.154 0.000 0.976 471 Y HN 0.128 nan 8.280 nan 0.000 0.520 472 G N 0.029 108.885 108.800 0.094 0.000 2.462 472 G HA2 -0.261 3.693 3.960 -0.010 0.000 0.220 472 G HA3 -0.261 3.693 3.960 -0.010 0.000 0.220 472 G C 1.703 176.630 174.900 0.044 0.000 1.121 472 G CA 1.239 46.392 45.100 0.089 0.000 0.758 472 G HN 0.516 nan 8.290 nan 0.000 0.559 473 I N 0.206 120.773 120.570 -0.005 0.000 2.163 473 I HA -0.162 4.002 4.170 -0.010 0.000 0.243 473 I C 2.684 178.841 176.117 0.068 0.000 1.085 473 I CA 0.862 62.180 61.300 0.030 0.000 1.347 473 I CB -0.216 37.809 38.000 0.041 0.000 1.044 473 I HN 0.124 nan 8.210 nan 0.000 0.408 474 L N 0.008 121.268 121.223 0.062 0.000 2.072 474 L HA -0.171 4.163 4.340 -0.010 0.000 0.205 474 L C 2.607 179.504 176.870 0.045 0.000 1.079 474 L CA 1.123 56.048 54.840 0.142 0.000 0.752 474 L CB -0.554 41.587 42.059 0.138 0.000 0.906 474 L HN 0.227 nan 8.230 nan 0.000 0.436 475 E N 0.459 120.533 120.200 -0.210 0.000 2.077 475 E HA -0.166 4.178 4.350 -0.010 0.000 0.193 475 E C 2.235 178.729 176.600 -0.177 0.000 0.989 475 E CA 1.659 57.858 56.400 -0.335 0.000 0.800 475 E CB -0.030 29.387 29.700 -0.471 0.000 0.746 475 E HN 0.230 nan 8.360 nan 0.000 0.452 476 S N 0.056 115.829 115.700 0.121 0.000 2.359 476 S HA -0.137 4.327 4.470 -0.010 0.000 0.224 476 S C 1.938 176.623 174.600 0.141 0.000 1.035 476 S CA 1.281 59.631 58.200 0.250 0.000 1.018 476 S CB -0.352 62.975 63.200 0.213 0.000 0.876 476 S HN 0.268 nan 8.310 nan 0.000 0.448 477 L N 1.847 123.159 121.223 0.148 0.000 2.201 477 L HA -0.085 4.250 4.340 -0.010 0.000 0.212 477 L C 2.673 179.680 176.870 0.228 0.000 1.105 477 L CA 1.169 56.132 54.840 0.204 0.000 0.775 477 L CB -0.722 41.481 42.059 0.240 0.000 0.913 477 L HN 0.428 nan 8.230 nan 0.000 0.440 478 S N -0.562 115.185 115.700 0.079 0.000 2.399 478 S HA -0.104 4.360 4.470 -0.010 0.000 0.231 478 S C 1.710 176.189 174.600 -0.202 0.000 1.022 478 S CA 1.094 59.120 58.200 -0.290 0.000 0.983 478 S CB -0.480 62.425 63.200 -0.491 0.000 0.803 478 S HN 0.430 nan 8.310 nan 0.000 0.480 479 G N -0.014 108.729 108.800 -0.095 0.000 3.324 479 G HA2 0.411 4.365 3.960 -0.010 0.000 0.251 479 G HA3 0.411 4.365 3.960 -0.010 0.000 0.251 479 G C 0.059 174.955 174.900 -0.008 0.000 1.072 479 G CA -0.519 44.537 45.100 -0.072 0.000 0.787 479 G HN 0.453 nan 8.290 nan 0.000 0.537 480 M N 1.586 121.210 119.600 0.039 0.000 2.255 480 M HA 0.284 4.758 4.480 -0.010 0.000 0.336 480 M C 1.210 177.545 176.300 0.058 0.000 1.135 480 M CA -0.676 54.665 55.300 0.069 0.000 1.145 480 M CB 0.834 33.496 32.600 0.104 0.000 1.473 480 M HN 0.198 nan 8.290 nan 0.000 0.462 481 R N 2.718 123.259 120.500 0.069 0.000 4.054 481 R HA 0.228 4.562 4.340 -0.010 0.000 0.227 481 R C -0.698 175.645 176.300 0.072 0.000 1.902 481 R CA -0.337 55.796 56.100 0.055 0.000 1.590 481 R CB -1.477 28.864 30.300 0.068 0.000 1.245 481 R HN 0.442 nan 8.270 nan 0.000 0.647 482 V N -2.761 117.185 119.914 0.053 0.000 3.074 482 V HA 0.485 4.599 4.120 -0.010 0.000 0.314 482 V C -0.881 175.231 176.094 0.029 0.000 1.117 482 V CA -1.473 60.839 62.300 0.020 0.000 1.014 482 V CB 2.229 34.042 31.823 -0.016 0.000 1.057 482 V HN 0.164 nan 8.190 nan 0.000 0.438 483 N N 1.238 119.944 118.700 0.010 0.000 2.434 483 N HA 0.556 5.290 4.740 -0.010 0.000 0.272 483 N C -0.835 174.669 175.510 -0.010 0.000 1.040 483 N CA -0.174 52.891 53.050 0.025 0.000 0.956 483 N CB 1.842 40.338 38.487 0.016 0.000 1.108 483 N HN 0.638 nan 8.380 nan 0.000 0.481 484 V N 3.159 123.083 119.914 0.017 0.000 2.417 484 V HA 0.496 4.610 4.120 -0.010 0.000 0.291 484 V C 0.374 176.334 176.094 -0.223 0.000 1.024 484 V CA -0.755 61.454 62.300 -0.153 0.000 0.861 484 V CB 1.374 33.118 31.823 -0.133 0.000 0.985 484 V HN 0.697 nan 8.190 nan 0.000 0.436 485 R N 3.419 123.682 120.500 -0.396 0.000 2.888 485 R HA 0.770 5.104 4.340 -0.010 0.000 0.266 485 R C -1.915 173.999 176.300 -0.645 0.000 1.020 485 R CA -0.743 55.165 56.100 -0.320 0.000 0.963 485 R CB 1.923 32.144 30.300 -0.132 0.000 1.197 485 R HN 0.374 nan 8.270 nan 0.000 0.481 486 F N 1.870 121.653 119.950 -0.279 0.000 2.493 486 F HA 0.528 5.049 4.527 -0.010 0.000 0.329 486 F C 0.048 175.711 175.800 -0.229 0.000 1.126 486 F CA -0.881 56.937 58.000 -0.303 0.000 0.937 486 F CB 2.023 40.793 39.000 -0.384 0.000 1.146 486 F HN 0.462 nan 8.300 nan 0.000 0.442 487 I N -0.219 120.281 120.570 -0.118 0.000 2.828 487 I HA 0.828 4.992 4.170 -0.010 0.000 0.302 487 I C -0.533 175.436 176.117 -0.246 0.000 1.101 487 I CA -0.828 60.379 61.300 -0.154 0.000 1.031 487 I CB 2.300 40.190 38.000 -0.185 0.000 1.231 487 I HN 0.508 nan 8.210 nan 0.000 0.427 488 S N 2.588 118.144 115.700 -0.240 0.000 2.718 488 S HA 0.529 4.993 4.470 -0.010 0.000 0.300 488 S C 0.442 174.794 174.600 -0.414 0.000 1.117 488 S CA -0.586 57.403 58.200 -0.353 0.000 1.002 488 S CB 1.226 64.311 63.200 -0.191 0.000 1.092 488 S HN 0.593 nan 8.310 nan 0.000 0.542 489 F N 0.959 120.781 119.950 -0.215 0.000 2.216 489 F HA -0.003 4.518 4.527 -0.010 0.000 0.300 489 F C 2.132 177.787 175.800 -0.243 0.000 1.085 489 F CA 1.025 58.861 58.000 -0.273 0.000 1.326 489 F CB -0.682 38.099 39.000 -0.365 0.000 1.027 489 F HN 0.513 nan 8.300 nan 0.000 0.497 490 D N 0.311 120.677 120.400 -0.056 0.000 2.144 490 D HA -0.164 4.471 4.640 -0.010 0.000 0.199 490 D C 1.750 177.964 176.300 -0.143 0.000 0.984 490 D CA 1.424 55.361 54.000 -0.104 0.000 0.834 490 D CB -0.432 40.311 40.800 -0.095 0.000 0.955 490 D HN 0.255 nan 8.370 nan 0.000 0.465 491 D N 0.469 120.797 120.400 -0.119 0.000 2.092 491 D HA -0.111 4.523 4.640 -0.010 0.000 0.193 491 D C 2.370 178.598 176.300 -0.120 0.000 0.994 491 D CA 0.576 54.527 54.000 -0.082 0.000 0.828 491 D CB -0.358 40.413 40.800 -0.049 0.000 0.963 491 D HN 0.080 nan 8.370 nan 0.000 0.450 492 V N 1.114 120.949 119.914 -0.131 0.000 2.343 492 V HA -0.200 3.914 4.120 -0.010 0.000 0.247 492 V C 2.679 178.695 176.094 -0.131 0.000 1.051 492 V CA 1.110 63.333 62.300 -0.128 0.000 1.036 492 V CB -0.474 31.270 31.823 -0.133 0.000 0.654 492 V HN 0.178 nan 8.190 nan 0.000 0.451 493 L N -0.052 121.085 121.223 -0.143 0.000 2.093 493 L HA -0.129 4.205 4.340 -0.010 0.000 0.208 493 L C 2.641 179.398 176.870 -0.190 0.000 1.085 493 L CA 1.535 56.284 54.840 -0.151 0.000 0.755 493 L CB -0.668 41.301 42.059 -0.150 0.000 0.904 493 L HN 0.366 nan 8.230 nan 0.000 0.435 494 A N -1.192 121.446 122.820 -0.303 0.000 1.898 494 A HA -0.116 4.198 4.320 -0.010 0.000 0.214 494 A C 1.712 178.998 177.584 -0.498 0.000 1.183 494 A CA 1.079 52.816 52.037 -0.500 0.000 0.622 494 A CB -0.278 18.231 19.000 -0.819 0.000 0.824 494 A HN 0.481 nan 8.150 nan 0.000 0.444 495 H N -1.633 117.406 119.070 -0.052 0.000 3.233 495 H HA 0.358 4.909 4.556 -0.010 0.000 0.263 495 H C 1.253 176.548 175.328 -0.054 0.000 1.168 495 H CA 0.170 56.190 56.048 -0.047 0.000 1.159 495 H CB -0.211 29.524 29.762 -0.046 0.000 1.593 495 H HN 0.645 nan 8.280 nan 0.000 0.580 496 G N 1.726 110.524 108.800 -0.002 0.000 2.698 496 G HA2 -0.280 3.674 3.960 -0.010 0.000 0.233 496 G HA3 -0.280 3.674 3.960 -0.010 0.000 0.233 496 G C -0.325 174.526 174.900 -0.083 0.000 1.352 496 G CA -0.268 44.811 45.100 -0.036 0.000 0.879 496 G HN 0.223 nan 8.290 nan 0.000 0.567 497 I N 1.183 121.658 120.570 -0.159 0.000 2.315 497 I HA 0.224 4.388 4.170 -0.010 0.000 0.291 497 I C -0.091 175.920 176.117 -0.177 0.000 1.006 497 I CA -0.638 60.477 61.300 -0.309 0.000 1.265 497 I CB 1.262 38.807 38.000 -0.758 0.000 1.387 497 I HN 0.328 nan 8.210 nan 0.000 0.475 498 D N 3.925 124.246 120.400 -0.132 0.000 2.493 498 D HA -0.042 4.592 4.640 -0.010 0.000 0.240 498 D C 1.389 177.699 176.300 0.016 0.000 1.142 498 D CA 0.248 54.220 54.000 -0.046 0.000 0.872 498 D CB 1.007 41.778 40.800 -0.047 0.000 1.173 498 D HN 0.632 nan 8.370 nan 0.000 0.467 499 S N 1.544 117.281 115.700 0.062 0.000 2.465 499 S HA -0.217 4.247 4.470 -0.010 0.000 0.241 499 S C 1.096 175.771 174.600 0.124 0.000 1.000 499 S CA 0.970 59.243 58.200 0.122 0.000 0.964 499 S CB -0.029 63.226 63.200 0.091 0.000 0.763 499 S HN 0.580 nan 8.310 nan 0.000 0.512 500 D N 0.921 121.369 120.400 0.080 0.000 2.349 500 D HA 0.101 4.735 4.640 -0.010 0.000 0.215 500 D C 0.482 176.834 176.300 0.086 0.000 1.016 500 D CA -0.277 53.766 54.000 0.071 0.000 0.870 500 D CB -0.522 40.302 40.800 0.040 0.000 0.917 500 D HN 0.466 nan 8.370 nan 0.000 0.524 501 I N 1.749 122.384 120.570 0.109 0.000 2.556 501 I HA -0.024 4.140 4.170 -0.010 0.000 0.284 501 I C 0.994 177.283 176.117 0.286 0.000 1.114 501 I CA -0.153 61.221 61.300 0.124 0.000 1.418 501 I CB 0.945 38.951 38.000 0.010 0.000 1.394 501 I HN -0.215 nan 8.210 nan 0.000 0.552 502 D N 4.777 125.291 120.400 0.191 0.000 2.259 502 D HA 0.081 4.715 4.640 -0.010 0.000 0.216 502 D C 0.157 176.615 176.300 0.264 0.000 0.961 502 D CA 1.288 55.393 54.000 0.176 0.000 0.878 502 D CB 0.606 41.427 40.800 0.035 0.000 1.009 502 D HN 0.205 nan 8.370 nan 0.000 0.490 503 V N 1.520 121.569 119.914 0.224 0.000 2.709 503 V HA 0.380 4.494 4.120 -0.010 0.000 0.308 503 V C -0.275 175.914 176.094 0.159 0.000 1.062 503 V CA -0.750 61.685 62.300 0.225 0.000 0.901 503 V CB 2.860 34.712 31.823 0.049 0.000 1.003 503 V HN -0.081 nan 8.190 nan 0.000 0.425 504 I N 4.783 125.479 120.570 0.210 0.000 2.377 504 I HA 0.508 4.672 4.170 -0.010 0.000 0.293 504 I C -0.685 175.352 176.117 -0.132 0.000 0.987 504 I CA -0.397 60.914 61.300 0.018 0.000 1.185 504 I CB 1.697 39.749 38.000 0.088 0.000 1.341 504 I HN 0.446 nan 8.210 nan 0.000 0.455 505 I N 6.556 127.005 120.570 -0.202 0.000 2.404 505 I HA 0.329 4.493 4.170 -0.010 0.000 0.293 505 I C -0.178 175.805 176.117 -0.224 0.000 0.992 505 I CA -0.429 60.703 61.300 -0.280 0.000 1.149 505 I CB 1.468 39.352 38.000 -0.194 0.000 1.315 505 I HN 0.577 nan 8.210 nan 0.000 0.446 506 N N 4.670 123.194 118.700 -0.294 0.000 2.410 506 N HA 0.641 5.375 4.740 -0.010 0.000 0.287 506 N C -1.185 174.295 175.510 -0.050 0.000 1.044 506 N CA -0.257 52.767 53.050 -0.044 0.000 0.881 506 N CB 2.410 41.017 38.487 0.201 0.000 1.405 506 N HN 0.829 nan 8.380 nan 0.000 0.490 507 G N 0.775 109.621 108.800 0.076 0.000 2.706 507 G HA2 0.765 4.719 3.960 -0.010 0.000 0.297 507 G HA3 0.765 4.719 3.960 -0.010 0.000 0.297 507 G C -0.639 174.282 174.900 0.035 0.000 1.403 507 G CA -0.208 44.934 45.100 0.071 0.000 0.954 507 G HN 0.811 nan 8.290 nan 0.000 0.500 508 G N 0.536 109.144 108.800 -0.320 0.000 2.369 508 G HA2 0.438 4.392 3.960 -0.010 0.000 0.295 508 G HA3 0.438 4.392 3.960 -0.010 0.000 0.295 508 G C -3.522 171.166 174.900 -0.353 0.000 1.298 508 G CA -0.536 44.053 45.100 -0.851 0.000 0.940 508 G HN 0.681 nan 8.290 nan 0.000 0.536 509 P HA 0.465 nan 4.420 nan 0.000 0.276 509 P C 0.479 177.893 177.300 0.188 0.000 1.252 509 P CA -0.570 62.653 63.100 0.206 0.000 0.802 509 P CB 1.182 33.084 31.700 0.336 0.000 1.035 510 V N 1.598 121.648 119.914 0.227 0.000 2.901 510 V HA -0.043 4.071 4.120 -0.010 0.000 0.307 510 V C 0.181 176.376 176.094 0.167 0.000 1.084 510 V CA 0.906 63.307 62.300 0.169 0.000 1.184 510 V CB -0.919 31.081 31.823 0.296 0.000 0.941 510 V HN 0.685 nan 8.190 nan 0.000 0.493 511 D N 2.325 122.788 120.400 0.104 0.000 2.723 511 D HA -0.130 4.504 4.640 -0.010 0.000 0.236 511 D C 0.206 176.568 176.300 0.103 0.000 1.138 511 D CA 1.446 55.499 54.000 0.087 0.000 0.676 511 D CB -1.315 39.549 40.800 0.106 0.000 1.069 511 D HN 1.124 nan 8.370 nan 0.000 0.430 512 T N -5.300 109.314 114.554 0.100 0.000 2.930 512 T HA 0.756 5.100 4.350 -0.010 0.000 0.290 512 T C 1.434 176.060 174.700 -0.123 0.000 1.052 512 T CA -0.277 61.870 62.100 0.078 0.000 1.017 512 T CB 2.121 71.157 68.868 0.280 0.000 1.137 512 T HN -0.045 nan 8.240 nan 0.000 0.511 513 A N 0.414 123.004 122.820 -0.383 0.000 2.032 513 A HA 0.074 4.388 4.320 -0.010 0.000 0.221 513 A C 1.544 178.770 177.584 -0.596 0.000 1.165 513 A CA 1.320 52.976 52.037 -0.635 0.000 0.645 513 A CB -1.126 17.328 19.000 -0.909 0.000 0.807 513 A HN 0.770 nan 8.150 nan 0.000 0.453 514 F N 0.132 120.028 119.950 -0.090 0.000 2.473 514 F HA 0.003 4.524 4.527 -0.010 0.000 0.294 514 F C 2.710 178.542 175.800 0.054 0.000 1.103 514 F CA 1.402 59.322 58.000 -0.134 0.000 1.442 514 F CB -0.890 37.901 39.000 -0.348 0.000 1.097 514 F HN 0.303 nan 8.300 nan 0.000 0.547 515 T N -3.667 111.013 114.554 0.210 0.000 2.939 515 T HA 0.454 4.798 4.350 -0.010 0.000 0.254 515 T C 1.943 176.940 174.700 0.496 0.000 1.041 515 T CA 0.991 63.261 62.100 0.284 0.000 1.142 515 T CB -0.079 68.859 68.868 0.117 0.000 0.874 515 T HN 0.361 nan 8.240 nan 0.000 0.452 516 G N 0.400 109.341 108.800 0.236 0.000 2.421 516 G HA2 0.326 4.280 3.960 -0.010 0.000 0.188 516 G HA3 0.326 4.280 3.960 -0.010 0.000 0.188 516 G C 0.972 175.770 174.900 -0.171 0.000 1.001 516 G CA 0.362 45.458 45.100 -0.006 0.000 0.693 516 G HN 1.481 nan 8.290 nan 0.000 0.479 517 G N 0.751 109.543 108.800 -0.013 0.000 2.547 517 G HA2 -0.251 3.703 3.960 -0.010 0.000 0.271 517 G HA3 -0.251 3.703 3.960 -0.010 0.000 0.271 517 G C 0.480 175.310 174.900 -0.117 0.000 1.209 517 G CA 0.890 45.955 45.100 -0.059 0.000 0.959 517 G HN 0.686 nan 8.290 nan 0.000 0.563 518 D N 0.071 120.366 120.400 -0.174 0.000 2.350 518 D HA 0.022 4.657 4.640 -0.010 0.000 0.216 518 D C 2.399 178.492 176.300 -0.345 0.000 0.968 518 D CA 0.942 54.807 54.000 -0.226 0.000 0.894 518 D CB -0.126 40.559 40.800 -0.191 0.000 0.909 518 D HN 0.400 nan 8.370 nan 0.000 0.520 519 V N -0.406 119.224 119.914 -0.473 0.000 2.546 519 V HA -0.237 3.877 4.120 -0.010 0.000 0.254 519 V C 1.423 177.066 176.094 -0.752 0.000 1.076 519 V CA 1.524 63.408 62.300 -0.694 0.000 1.087 519 V CB -0.454 30.733 31.823 -1.060 0.000 0.674 519 V HN 0.330 nan 8.190 nan 0.000 0.470 520 W N 0.102 121.120 121.300 -0.470 0.000 2.825 520 W HA -0.035 4.620 4.660 -0.009 0.000 0.243 520 W C 2.391 178.678 176.519 -0.387 0.000 1.293 520 W CA 1.032 58.153 57.345 -0.375 0.000 1.403 520 W CB -0.411 28.868 29.460 -0.302 0.000 1.134 520 W HN 0.442 nan 8.180 nan 0.000 0.666 521 T N -2.873 111.454 114.554 -0.378 0.000 3.107 521 T HA 0.015 4.359 4.350 -0.010 0.000 0.249 521 T C 0.687 175.114 174.700 -0.456 0.000 1.096 521 T CA -0.191 61.457 62.100 -0.754 0.000 1.012 521 T CB -0.340 67.761 68.868 -1.279 0.000 0.977 521 T HN -0.136 nan 8.240 nan 0.000 0.527 522 N N 3.335 121.833 118.700 -0.337 0.000 2.405 522 N HA 0.172 4.906 4.740 -0.010 0.000 0.260 522 N C -1.432 173.983 175.510 -0.159 0.000 1.152 522 N CA -2.253 50.652 53.050 -0.243 0.000 0.948 522 N CB 1.673 39.991 38.487 -0.282 0.000 1.111 522 N HN 0.093 nan 8.380 nan 0.000 0.485 523 P HA -0.175 nan 4.420 nan 0.000 0.218 523 P C 1.038 178.317 177.300 -0.036 0.000 1.148 523 P CA 1.127 64.212 63.100 -0.024 0.000 0.822 523 P CB 0.454 32.159 31.700 0.010 0.000 0.784 524 K N -0.319 120.042 120.400 -0.066 0.000 2.097 524 K HA -0.144 4.170 4.320 -0.010 0.000 0.206 524 K C 2.092 178.645 176.600 -0.079 0.000 1.049 524 K CA 0.811 57.060 56.287 -0.063 0.000 0.933 524 K CB -0.522 31.931 32.500 -0.078 0.000 0.717 524 K HN -0.029 nan 8.250 nan 0.000 0.442 525 L N 0.888 122.027 121.223 -0.139 0.000 2.017 525 L HA -0.125 4.209 4.340 -0.010 0.000 0.208 525 L C 1.975 178.801 176.870 -0.074 0.000 1.073 525 L CA 1.481 56.209 54.840 -0.187 0.000 0.745 525 L CB -0.506 41.299 42.059 -0.424 0.000 0.894 525 L HN -0.032 nan 8.230 nan 0.000 0.432 526 V N -0.167 119.741 119.914 -0.011 0.000 2.427 526 V HA -0.249 3.865 4.120 -0.010 0.000 0.248 526 V C 2.502 178.637 176.094 0.068 0.000 1.051 526 V CA 1.852 64.206 62.300 0.091 0.000 1.048 526 V CB -0.581 31.310 31.823 0.112 0.000 0.666 526 V HN 0.504 nan 8.190 nan 0.000 0.456 527 E N -0.096 120.130 120.200 0.044 0.000 2.051 527 E HA -0.193 4.152 4.350 -0.010 0.000 0.192 527 E C 2.290 178.932 176.600 0.071 0.000 0.991 527 E CA 1.930 58.363 56.400 0.056 0.000 0.799 527 E CB -0.373 29.348 29.700 0.034 0.000 0.748 527 E HN 0.568 nan 8.360 nan 0.000 0.449 528 T N 0.741 115.322 114.554 0.045 0.000 2.652 528 T HA -0.158 4.186 4.350 -0.010 0.000 0.267 528 T C 2.108 176.879 174.700 0.118 0.000 1.039 528 T CA 1.476 63.609 62.100 0.056 0.000 1.153 528 T CB -0.323 68.541 68.868 -0.007 0.000 0.863 528 T HN -0.026 nan 8.240 nan 0.000 0.428 529 V N 1.310 121.284 119.914 0.101 0.000 2.307 529 V HA -0.149 3.965 4.120 -0.010 0.000 0.245 529 V C 2.618 178.837 176.094 0.209 0.000 1.045 529 V CA 1.595 63.989 62.300 0.158 0.000 1.024 529 V CB -0.614 31.250 31.823 0.068 0.000 0.651 529 V HN 0.353 nan 8.190 nan 0.000 0.449 530 R N 0.167 120.750 120.500 0.138 0.000 2.081 530 R HA -0.112 4.222 4.340 -0.010 0.000 0.235 530 R C 2.451 178.918 176.300 0.279 0.000 1.131 530 R CA 1.493 57.714 56.100 0.201 0.000 0.960 530 R CB -0.593 29.831 30.300 0.208 0.000 0.856 530 R HN 0.541 nan 8.270 nan 0.000 0.436 531 A N 0.237 123.186 122.820 0.215 0.000 1.898 531 A HA -0.201 4.113 4.320 -0.010 0.000 0.216 531 A C 1.876 179.588 177.584 0.214 0.000 1.181 531 A CA 1.158 53.302 52.037 0.179 0.000 0.620 531 A CB -0.775 18.309 19.000 0.139 0.000 0.819 531 A HN 0.608 nan 8.150 nan 0.000 0.442 532 W N 0.627 121.971 121.300 0.073 0.000 2.379 532 W HA -0.148 4.506 4.660 -0.010 0.000 0.307 532 W C 1.936 178.513 176.519 0.097 0.000 1.200 532 W CA 2.143 59.530 57.345 0.071 0.000 1.297 532 W CB -0.392 29.105 29.460 0.061 0.000 1.140 532 W HN 0.088 nan 8.180 nan 0.000 0.507 533 V N 1.281 121.262 119.914 0.112 0.000 2.343 533 V HA -0.305 3.809 4.120 -0.010 0.000 0.247 533 V C 2.413 178.520 176.094 0.022 0.000 1.051 533 V CA 2.357 64.615 62.300 -0.069 0.000 1.036 533 V CB -1.063 30.835 31.823 0.125 0.000 0.654 533 V HN 0.089 nan 8.190 nan 0.000 0.451 534 R N 0.958 121.555 120.500 0.161 0.000 2.127 534 R HA -0.112 4.222 4.340 -0.010 0.000 0.238 534 R C 2.069 178.342 176.300 -0.045 0.000 1.134 534 R CA 1.556 57.687 56.100 0.052 0.000 0.975 534 R CB -0.923 29.378 30.300 0.001 0.000 0.865 534 R HN 0.528 nan 8.270 nan 0.000 0.447 535 G N -2.544 106.212 108.800 -0.075 0.000 2.920 535 G HA2 0.230 4.184 3.960 -0.010 0.000 0.208 535 G HA3 0.230 4.184 3.960 -0.010 0.000 0.208 535 G C 0.696 175.489 174.900 -0.178 0.000 1.159 535 G CA 0.395 45.432 45.100 -0.106 0.000 0.784 535 G HN 0.542 nan 8.290 nan 0.000 0.535 536 G N -1.612 107.036 108.800 -0.252 0.000 2.234 536 G HA2 0.102 4.056 3.960 -0.010 0.000 0.153 536 G HA3 0.102 4.056 3.960 -0.010 0.000 0.153 536 G C 0.677 175.318 174.900 -0.432 0.000 1.013 536 G CA 0.088 45.039 45.100 -0.249 0.000 0.712 536 G HN 0.794 nan 8.290 nan 0.000 0.491 537 G N -0.146 108.122 108.800 -0.886 0.000 2.653 537 G HA2 0.701 4.655 3.960 -0.010 0.000 0.265 537 G HA3 0.701 4.655 3.960 -0.010 0.000 0.265 537 G C 0.152 174.618 174.900 -0.724 0.000 1.237 537 G CA 0.497 44.614 45.100 -1.637 0.000 0.946 537 G HN 1.573 nan 8.290 nan 0.000 0.522 538 A N -0.728 121.837 122.820 -0.426 0.000 2.398 538 A HA 0.644 4.958 4.320 -0.010 0.000 0.301 538 A C -1.597 176.191 177.584 0.340 0.000 1.041 538 A CA -0.540 51.513 52.037 0.027 0.000 0.711 538 A CB 1.379 20.393 19.000 0.024 0.000 1.240 538 A HN 0.873 nan 8.150 nan 0.000 0.420 539 F N 3.119 123.150 119.950 0.136 0.000 2.477 539 F HA 0.640 5.160 4.527 -0.011 0.000 0.335 539 F C -1.038 174.804 175.800 0.070 0.000 1.130 539 F CA -0.630 57.462 58.000 0.154 0.000 0.948 539 F CB 1.883 40.963 39.000 0.135 0.000 1.154 539 F HN 0.347 nan 8.300 nan 0.000 0.439 540 V N 5.524 125.131 119.914 -0.512 0.000 2.409 540 V HA 0.683 4.797 4.120 -0.010 0.000 0.291 540 V C 0.166 175.866 176.094 -0.657 0.000 1.020 540 V CA -0.613 61.457 62.300 -0.383 0.000 0.848 540 V CB 1.339 33.042 31.823 -0.200 0.000 0.990 540 V HN 0.958 nan 8.190 nan 0.000 0.430 541 G N 3.596 112.140 108.800 -0.426 0.000 2.416 541 G HA2 0.625 4.579 3.960 -0.010 0.000 0.324 541 G HA3 0.625 4.579 3.960 -0.010 0.000 0.324 541 G C -1.116 173.649 174.900 -0.225 0.000 1.194 541 G CA -0.444 44.457 45.100 -0.332 0.000 0.922 541 G HN 0.541 nan 8.290 nan 0.000 0.467 542 V N 2.589 122.393 119.914 -0.183 0.000 2.409 542 V HA 0.813 4.927 4.120 -0.010 0.000 0.291 542 V C 1.067 177.179 176.094 0.029 0.000 1.020 542 V CA 0.766 62.977 62.300 -0.149 0.000 0.848 542 V CB 0.403 32.202 31.823 -0.040 0.000 0.990 542 V HN 1.630 nan 8.190 nan 0.000 0.430 543 G N 5.083 113.889 108.800 0.010 0.000 3.675 543 G HA2 -0.203 3.751 3.960 -0.010 0.000 0.275 543 G HA3 -0.203 3.751 3.960 -0.010 0.000 0.275 543 G C 0.119 175.171 174.900 0.253 0.000 1.648 543 G CA 0.284 45.550 45.100 0.277 0.000 1.093 543 G HN 0.678 nan 8.290 nan 0.000 0.617 544 E N 2.483 122.726 120.200 0.072 0.000 3.786 544 E HA 0.320 4.664 4.350 -0.010 0.000 0.215 544 E C -2.656 173.625 176.600 -0.533 0.000 1.188 544 E CA -1.602 54.677 56.400 -0.202 0.000 1.248 544 E CB 2.077 31.942 29.700 0.276 0.000 1.260 544 E HN 0.409 nan 8.360 nan 0.000 0.426 545 P HA -0.076 nan 4.420 nan 0.000 0.271 545 P C 0.401 177.284 177.300 -0.696 0.000 1.218 545 P CA 0.378 63.194 63.100 -0.473 0.000 0.780 545 P CB 1.138 32.672 31.700 -0.278 0.000 0.901 546 S N 0.047 115.225 115.700 -0.869 0.000 3.445 546 S HA -0.190 4.274 4.470 -0.010 0.000 0.319 546 S C 0.235 174.222 174.600 -1.023 0.000 1.209 546 S CA 0.885 57.975 58.200 -1.849 0.000 0.934 546 S CB -3.109 59.058 63.200 -1.721 0.000 0.999 546 S HN 0.788 nan 8.310 nan 0.000 0.582 547 S N 0.304 115.628 115.700 -0.626 0.000 2.565 547 S HA 0.758 5.222 4.470 -0.010 0.000 0.276 547 S C -0.015 174.332 174.600 -0.421 0.000 1.326 547 S CA -0.218 57.648 58.200 -0.558 0.000 1.045 547 S CB 1.598 64.412 63.200 -0.643 0.000 0.918 547 S HN 1.953 nan 8.310 nan 0.000 0.505 548 A N 3.456 126.018 122.820 -0.430 0.000 2.414 548 A HA 0.708 5.022 4.320 -0.010 0.000 0.286 548 A C -2.944 174.622 177.584 -0.029 0.000 1.073 548 A CA -1.674 50.272 52.037 -0.152 0.000 0.727 548 A CB 1.114 20.086 19.000 -0.048 0.000 1.215 548 A HN 0.669 nan 8.150 nan 0.000 0.430 549 P HA 0.339 nan 4.420 nan 0.000 0.275 549 P C 0.441 177.903 177.300 0.270 0.000 1.228 549 P CA 0.024 63.333 63.100 0.348 0.000 0.786 549 P CB 0.994 32.903 31.700 0.349 0.000 0.927 550 R N -0.622 120.044 120.500 0.276 0.000 4.002 550 R HA -0.274 4.060 4.340 -0.010 0.000 0.443 550 R C 1.482 177.894 176.300 0.187 0.000 0.770 550 R CA 1.358 57.572 56.100 0.191 0.000 1.648 550 R CB -2.305 28.083 30.300 0.148 0.000 2.287 550 R HN 0.415 nan 8.270 nan 0.000 0.454 551 F N 2.021 122.015 119.950 0.073 0.000 2.091 551 F HA -0.132 4.389 4.527 -0.009 0.000 0.299 551 F C 0.929 176.756 175.800 0.044 0.000 1.103 551 F CA 1.888 59.916 58.000 0.046 0.000 1.228 551 F CB 0.143 39.163 39.000 0.033 0.000 0.984 551 F HN 0.096 nan 8.300 nan 0.000 0.477 552 Q N -0.544 119.251 119.800 -0.008 0.000 2.330 552 Q HA 0.191 4.525 4.340 -0.010 0.000 0.269 552 Q C 0.857 176.865 176.000 0.014 0.000 1.022 552 Q CA -0.123 55.622 55.803 -0.096 0.000 0.796 552 Q CB 1.855 30.570 28.738 -0.037 0.000 1.271 552 Q HN 0.001 nan 8.270 nan 0.000 0.450 553 T N 1.137 115.680 114.554 -0.017 0.000 2.759 553 T HA -0.142 4.202 4.350 -0.010 0.000 0.269 553 T C 1.331 176.043 174.700 0.021 0.000 1.042 553 T CA 1.781 63.887 62.100 0.010 0.000 1.140 553 T CB 0.018 68.880 68.868 -0.011 0.000 0.864 553 T HN 0.833 nan 8.240 nan 0.000 0.455 554 G N -0.004 108.805 108.800 0.016 0.000 3.277 554 G HA2 0.340 4.295 3.960 -0.010 0.000 0.243 554 G HA3 0.340 4.295 3.960 -0.010 0.000 0.243 554 G C 0.332 175.260 174.900 0.047 0.000 1.107 554 G CA -0.432 44.683 45.100 0.024 0.000 0.771 554 G HN 0.250 nan 8.290 nan 0.000 0.544 555 R N -0.615 119.925 120.500 0.067 0.000 2.512 555 R HA 0.473 4.808 4.340 -0.010 0.000 0.291 555 R C -0.628 175.766 176.300 0.157 0.000 1.097 555 R CA -0.736 55.410 56.100 0.076 0.000 0.940 555 R CB 0.678 31.013 30.300 0.059 0.000 1.198 555 R HN -0.032 nan 8.270 nan 0.000 0.429 556 F N 4.013 123.925 119.950 -0.062 0.000 2.298 556 F HA 0.400 4.924 4.527 -0.006 0.000 0.282 556 F C -0.091 175.784 175.800 0.125 0.000 1.045 556 F CA 0.268 58.262 58.000 -0.009 0.000 1.280 556 F CB 0.324 39.247 39.000 -0.129 0.000 1.114 556 F HN 0.366 nan 8.300 nan 0.000 0.546 557 F N 3.068 122.968 119.950 -0.085 0.000 2.494 557 F HA 0.172 4.695 4.527 -0.007 0.000 0.369 557 F C 1.560 177.230 175.800 -0.217 0.000 1.098 557 F CA -0.898 56.951 58.000 -0.253 0.000 1.154 557 F CB -0.083 38.797 39.000 -0.201 0.000 1.103 557 F HN 0.145 nan 8.300 nan 0.000 0.549 558 Q N 2.673 122.414 119.800 -0.099 0.000 2.170 558 Q HA -0.069 4.265 4.340 -0.010 0.000 0.203 558 Q C 1.474 177.421 176.000 -0.089 0.000 0.976 558 Q CA 1.194 56.967 55.803 -0.050 0.000 0.858 558 Q CB -0.022 28.718 28.738 0.003 0.000 0.907 558 Q HN 0.651 nan 8.270 nan 0.000 0.433 559 L N 0.330 121.416 121.223 -0.230 0.000 2.912 559 L HA 0.269 4.603 4.340 -0.010 0.000 0.240 559 L C 1.591 178.377 176.870 -0.142 0.000 1.262 559 L CA -0.230 54.458 54.840 -0.254 0.000 1.058 559 L CB -0.279 41.466 42.059 -0.522 0.000 1.383 559 L HN -0.005 nan 8.230 nan 0.000 0.512 560 A N 1.026 123.825 122.820 -0.035 0.000 1.986 560 A HA -0.260 4.054 4.320 -0.010 0.000 0.220 560 A C 2.079 179.631 177.584 -0.052 0.000 1.171 560 A CA 2.126 54.151 52.037 -0.019 0.000 0.640 560 A CB -0.304 18.656 19.000 -0.066 0.000 0.811 560 A HN 0.659 nan 8.150 nan 0.000 0.451 561 D N -0.047 120.329 120.400 -0.040 0.000 2.178 561 D HA -0.108 4.527 4.640 -0.010 0.000 0.201 561 D C 1.765 178.045 176.300 -0.033 0.000 0.980 561 D CA 1.575 55.590 54.000 0.026 0.000 0.842 561 D CB -0.796 40.077 40.800 0.123 0.000 0.948 561 D HN 0.274 nan 8.370 nan 0.000 0.472 562 V N 1.747 121.477 119.914 -0.307 0.000 2.323 562 V HA -0.152 3.962 4.120 -0.010 0.000 0.244 562 V C 2.606 178.606 176.094 -0.156 0.000 1.041 562 V CA 1.707 63.645 62.300 -0.603 0.000 1.025 562 V CB -0.514 30.877 31.823 -0.720 0.000 0.656 562 V HN 0.378 nan 8.190 nan 0.000 0.451 563 I N -1.989 118.562 120.570 -0.030 0.000 3.728 563 I HA 0.459 4.624 4.170 -0.010 0.000 0.307 563 I C 1.527 177.671 176.117 0.044 0.000 1.276 563 I CA 0.940 62.288 61.300 0.079 0.000 1.285 563 I CB -0.069 38.038 38.000 0.178 0.000 1.038 563 I HN 0.381 nan 8.210 nan 0.000 0.445 564 G N 1.538 110.334 108.800 -0.007 0.000 2.159 564 G HA2 -0.201 3.753 3.960 -0.010 0.000 0.256 564 G HA3 -0.201 3.753 3.960 -0.010 0.000 0.256 564 G C 0.033 174.843 174.900 -0.150 0.000 0.977 564 G CA 0.156 45.231 45.100 -0.042 0.000 0.652 564 G HN 0.364 nan 8.290 nan 0.000 0.531 565 V N 0.191 119.985 119.914 -0.199 0.000 2.760 565 V HA 0.747 4.861 4.120 -0.010 0.000 0.309 565 V C -0.674 175.151 176.094 -0.449 0.000 1.077 565 V CA -0.626 61.428 62.300 -0.410 0.000 0.910 565 V CB 2.119 33.627 31.823 -0.524 0.000 1.008 565 V HN 0.285 nan 8.190 nan 0.000 0.424 566 D N 1.641 121.517 120.400 -0.873 0.000 2.493 566 D HA 0.423 5.057 4.640 -0.010 0.000 0.239 566 D C -0.956 174.609 176.300 -1.225 0.000 1.049 566 D CA -0.544 52.803 54.000 -1.088 0.000 1.008 566 D CB 2.579 42.902 40.800 -0.796 0.000 1.398 566 D HN 0.651 nan 8.370 nan 0.000 0.513 567 E N 1.000 120.458 120.200 -1.236 0.000 2.133 567 E HA 0.225 4.569 4.350 -0.010 0.000 0.274 567 E C -0.914 175.492 176.600 -0.325 0.000 0.930 567 E CA -0.643 55.371 56.400 -0.643 0.000 0.770 567 E CB 1.054 30.433 29.700 -0.534 0.000 1.104 567 E HN 0.250 nan 8.360 nan 0.000 0.403 568 E N 3.512 123.647 120.200 -0.107 0.000 2.415 568 E HA -0.033 4.311 4.350 -0.010 0.000 0.263 568 E C -0.277 176.048 176.600 -0.458 0.000 0.995 568 E CA 0.293 56.576 56.400 -0.194 0.000 0.915 568 E CB 0.526 30.070 29.700 -0.261 0.000 0.951 568 E HN 0.379 nan 8.360 nan 0.000 0.449 569 R N 4.105 124.358 120.500 -0.411 0.000 2.613 569 R HA 0.099 4.433 4.340 -0.010 0.000 0.361 569 R C -0.393 175.840 176.300 -0.113 0.000 1.072 569 R CA -0.413 55.467 56.100 -0.368 0.000 1.089 569 R CB -0.569 29.501 30.300 -0.382 0.000 1.343 569 R HN 0.789 nan 8.270 nan 0.000 0.571 570 Y N -0.751 119.483 120.300 -0.110 0.000 4.841 570 Y HA -0.290 4.252 4.550 -0.015 0.000 0.242 570 Y C 1.367 177.226 175.900 -0.069 0.000 1.002 570 Y CA 0.749 58.800 58.100 -0.082 0.000 2.011 570 Y CB -1.594 36.825 38.460 -0.069 0.000 1.554 570 Y HN 0.107 nan 8.280 nan 0.000 0.618 571 Q N -0.408 119.393 119.800 0.003 0.000 2.391 571 Q HA 0.138 4.472 4.340 -0.010 0.000 0.211 571 Q C 1.572 177.552 176.000 -0.033 0.000 0.908 571 Q CA 1.475 57.276 55.803 -0.004 0.000 0.920 571 Q CB 0.155 28.890 28.738 -0.005 0.000 1.056 571 Q HN 0.679 nan 8.270 nan 0.000 0.523 572 T N -2.492 112.017 114.554 -0.076 0.000 3.266 572 T HA 0.376 4.720 4.350 -0.010 0.000 0.278 572 T C 1.401 176.018 174.700 -0.140 0.000 1.010 572 T CA -0.219 61.820 62.100 -0.102 0.000 0.909 572 T CB -0.278 68.523 68.868 -0.112 0.000 1.122 572 T HN -0.003 nan 8.240 nan 0.000 0.536 573 L N 0.450 121.611 121.223 -0.103 0.000 2.191 573 L HA -0.029 4.305 4.340 -0.010 0.000 0.212 573 L C 2.670 179.483 176.870 -0.095 0.000 1.103 573 L CA 0.786 55.565 54.840 -0.103 0.000 0.769 573 L CB -0.636 41.399 42.059 -0.039 0.000 0.908 573 L HN 0.346 nan 8.230 nan 0.000 0.438 574 S N -0.674 114.982 115.700 -0.073 0.000 2.447 574 S HA -0.036 4.428 4.470 -0.010 0.000 0.233 574 S C 0.866 175.421 174.600 -0.074 0.000 1.006 574 S CA 0.330 58.494 58.200 -0.060 0.000 0.957 574 S CB -0.040 63.136 63.200 -0.040 0.000 0.773 574 S HN 0.092 nan 8.310 nan 0.000 0.507 575 V N 3.506 123.356 119.914 -0.107 0.000 2.368 575 V HA 0.166 4.280 4.120 -0.010 0.000 0.266 575 V C 0.072 176.056 176.094 -0.182 0.000 1.045 575 V CA -0.894 61.337 62.300 -0.115 0.000 0.899 575 V CB 0.764 32.514 31.823 -0.120 0.000 1.006 575 V HN 0.258 nan 8.190 nan 0.000 0.470 576 D N 5.115 125.418 120.400 -0.162 0.000 2.493 576 D HA 0.065 4.699 4.640 -0.010 0.000 0.240 576 D C 0.033 176.064 176.300 -0.447 0.000 1.142 576 D CA 0.232 54.037 54.000 -0.325 0.000 0.872 576 D CB 0.930 41.535 40.800 -0.325 0.000 1.173 576 D HN 0.326 nan 8.370 nan 0.000 0.467 577 K N 2.847 122.959 120.400 -0.480 0.000 2.211 577 K HA 0.267 4.581 4.320 -0.010 0.000 0.275 577 K C -0.621 175.805 176.600 -0.290 0.000 1.024 577 K CA -0.593 55.508 56.287 -0.310 0.000 0.887 577 K CB 0.724 33.135 32.500 -0.148 0.000 1.084 577 K HN 0.325 nan 8.250 nan 0.000 0.463 578 Y N 2.258 122.657 120.300 0.164 0.000 2.328 578 Y HA 0.347 4.892 4.550 -0.008 0.000 0.333 578 Y C -0.183 175.862 175.900 0.243 0.000 0.958 578 Y CA -0.765 57.452 58.100 0.195 0.000 1.167 578 Y CB 0.920 39.425 38.460 0.076 0.000 1.151 578 Y HN 0.396 nan 8.280 nan 0.000 0.470 579 F N 6.021 126.027 119.950 0.093 0.000 2.410 579 F HA 0.420 4.941 4.527 -0.011 0.000 0.349 579 F C -1.866 173.920 175.800 -0.022 0.000 1.117 579 F CA -2.377 55.647 58.000 0.040 0.000 1.104 579 F CB 1.204 40.220 39.000 0.026 0.000 1.122 579 F HN 0.310 nan 8.300 nan 0.000 0.483 580 P HA 0.187 nan 4.420 nan 0.000 0.274 580 P C -2.699 174.553 177.300 -0.081 0.000 1.237 580 P CA -1.704 61.396 63.100 0.001 0.000 0.793 580 P CB 0.110 31.817 31.700 0.012 0.000 0.977 581 P HA -0.000 nan 4.420 nan 0.000 0.265 581 P C -0.140 177.205 177.300 0.074 0.000 1.187 581 P CA 0.229 63.163 63.100 -0.278 0.000 0.766 581 P CB 0.175 31.803 31.700 -0.120 0.000 0.820 582 V N 4.198 124.300 119.914 0.313 0.000 2.740 582 V HA -0.004 4.110 4.120 -0.010 0.000 0.303 582 V C 0.504 176.792 176.094 0.324 0.000 1.054 582 V CA 0.084 62.592 62.300 0.346 0.000 1.106 582 V CB 1.099 33.200 31.823 0.462 0.000 0.957 582 V HN 0.214 nan 8.190 nan 0.000 0.486 583 V N 8.090 128.116 119.914 0.186 0.000 2.288 583 V HA 0.213 4.327 4.120 -0.010 0.000 0.266 583 V C -1.078 175.085 176.094 0.115 0.000 1.048 583 V CA -0.854 61.547 62.300 0.168 0.000 0.842 583 V CB 1.084 32.993 31.823 0.144 0.000 1.064 583 V HN 0.860 nan 8.190 nan 0.000 0.472 584 P HA 0.018 nan 4.420 nan 0.000 0.225 584 P C 0.040 177.355 177.300 0.026 0.000 1.156 584 P CA 0.714 63.813 63.100 -0.001 0.000 0.787 584 P CB 0.527 32.223 31.700 -0.006 0.000 0.802 585 D N 0.497 120.947 120.400 0.083 0.000 2.460 585 D HA 0.239 4.873 4.640 -0.010 0.000 0.232 585 D C -0.244 176.123 176.300 0.112 0.000 1.079 585 D CA 0.121 54.163 54.000 0.070 0.000 0.864 585 D CB 0.964 41.801 40.800 0.062 0.000 1.048 585 D HN 0.201 nan 8.370 nan 0.000 0.523 586 H N 1.451 120.503 119.070 -0.030 0.000 3.012 586 H HA 0.035 4.585 4.556 -0.009 0.000 0.367 586 H C 0.151 175.448 175.328 -0.051 0.000 1.211 586 H CA -0.649 55.380 56.048 -0.032 0.000 1.139 586 H CB 1.628 31.341 29.762 -0.081 0.000 1.838 586 H HN 0.195 nan 8.280 nan 0.000 0.550 587 F N 3.423 123.140 119.950 -0.388 0.000 2.085 587 F HA -0.265 4.256 4.527 -0.010 0.000 0.299 587 F C 1.904 177.642 175.800 -0.103 0.000 1.096 587 F CA 2.304 60.161 58.000 -0.237 0.000 1.227 587 F CB -0.250 38.610 39.000 -0.234 0.000 0.983 587 F HN 0.581 nan 8.300 nan 0.000 0.482 588 I N -0.230 120.486 120.570 0.242 0.000 2.226 588 I HA -0.284 3.880 4.170 -0.010 0.000 0.245 588 I C 1.983 178.034 176.117 -0.111 0.000 1.100 588 I CA 1.892 63.212 61.300 0.033 0.000 1.374 588 I CB -0.637 37.361 38.000 -0.003 0.000 1.057 588 I HN 0.330 nan 8.210 nan 0.000 0.413 589 T N -1.895 112.616 114.554 -0.072 0.000 3.163 589 T HA 0.379 4.723 4.350 -0.010 0.000 0.252 589 T C 1.615 176.236 174.700 -0.131 0.000 1.056 589 T CA 0.304 62.343 62.100 -0.101 0.000 0.947 589 T CB 0.298 69.124 68.868 -0.070 0.000 1.016 589 T HN 0.239 nan 8.240 nan 0.000 0.554 590 A N 2.349 125.052 122.820 -0.194 0.000 1.978 590 A HA -0.115 4.199 4.320 -0.010 0.000 0.220 590 A C 1.997 179.483 177.584 -0.163 0.000 1.170 590 A CA 1.528 53.448 52.037 -0.195 0.000 0.636 590 A CB -0.461 18.355 19.000 -0.306 0.000 0.810 590 A HN 0.468 nan 8.150 nan 0.000 0.448 591 D N -0.698 119.597 120.400 -0.176 0.000 2.339 591 D HA 0.155 4.789 4.640 -0.010 0.000 0.217 591 D C 0.029 176.260 176.300 -0.113 0.000 1.050 591 D CA 0.079 54.000 54.000 -0.131 0.000 0.856 591 D CB 0.197 40.922 40.800 -0.125 0.000 0.922 591 D HN 0.148 nan 8.370 nan 0.000 0.518 592 V N 3.279 123.121 119.914 -0.120 0.000 2.479 592 V HA 0.071 4.185 4.120 -0.010 0.000 0.281 592 V C -1.864 174.172 176.094 -0.097 0.000 1.031 592 V CA -1.162 61.067 62.300 -0.118 0.000 1.038 592 V CB 0.416 32.163 31.823 -0.128 0.000 0.981 592 V HN -0.044 nan 8.190 nan 0.000 0.478 593 P HA 0.081 nan 4.420 nan 0.000 0.264 593 P C -0.337 176.923 177.300 -0.066 0.000 1.193 593 P CA 0.025 63.083 63.100 -0.070 0.000 0.763 593 P CB 0.294 31.954 31.700 -0.066 0.000 0.810 594 V N 3.052 122.935 119.914 -0.051 0.000 2.775 594 V HA 0.120 4.234 4.120 -0.010 0.000 0.299 594 V C 0.657 176.730 176.094 -0.034 0.000 1.062 594 V CA 0.347 62.621 62.300 -0.043 0.000 1.063 594 V CB 0.893 32.699 31.823 -0.028 0.000 0.994 594 V HN 0.540 nan 8.190 nan 0.000 0.483 595 D N 4.836 125.218 120.400 -0.031 0.000 2.438 595 D HA 0.365 4.999 4.640 -0.010 0.000 0.257 595 D C -1.840 174.459 176.300 -0.001 0.000 1.148 595 D CA -2.024 51.964 54.000 -0.019 0.000 0.902 595 D CB 2.054 42.839 40.800 -0.026 0.000 1.062 595 D HN 0.153 nan 8.370 nan 0.000 0.518 596 P HA -0.133 nan 4.420 nan 0.000 0.215 596 P C 1.156 178.474 177.300 0.030 0.000 1.157 596 P CA 1.486 64.598 63.100 0.019 0.000 0.874 596 P CB 0.300 32.008 31.700 0.014 0.000 0.790 597 A N -0.335 122.499 122.820 0.023 0.000 1.933 597 A HA -0.080 4.234 4.320 -0.010 0.000 0.218 597 A C 2.311 179.921 177.584 0.043 0.000 1.175 597 A CA 2.017 54.071 52.037 0.028 0.000 0.628 597 A CB -1.516 17.495 19.000 0.019 0.000 0.814 597 A HN 0.201 nan 8.150 nan 0.000 0.444 598 A N -0.300 122.543 122.820 0.038 0.000 1.873 598 A HA -0.146 4.168 4.320 -0.010 0.000 0.215 598 A C 2.242 179.889 177.584 0.105 0.000 1.186 598 A CA 1.694 53.763 52.037 0.053 0.000 0.616 598 A CB -0.500 18.511 19.000 0.018 0.000 0.823 598 A HN 0.526 nan 8.150 nan 0.000 0.442 599 R N -0.674 119.882 120.500 0.093 0.000 2.091 599 R HA -0.153 4.182 4.340 -0.010 0.000 0.238 599 R C 2.042 178.492 176.300 0.250 0.000 1.136 599 R CA 1.555 57.766 56.100 0.185 0.000 0.959 599 R CB -0.158 30.214 30.300 0.119 0.000 0.856 599 R HN 0.447 nan 8.270 nan 0.000 0.437 600 E N 0.229 120.510 120.200 0.135 0.000 2.051 600 E HA -0.164 4.180 4.350 -0.010 0.000 0.192 600 E C 1.843 178.484 176.600 0.070 0.000 0.991 600 E CA 1.448 57.902 56.400 0.089 0.000 0.799 600 E CB -0.299 29.430 29.700 0.049 0.000 0.748 600 E HN 0.451 nan 8.360 nan 0.000 0.449 601 A N 0.276 123.145 122.820 0.082 0.000 1.933 601 A HA -0.181 4.133 4.320 -0.010 0.000 0.218 601 A C 2.071 179.695 177.584 0.067 0.000 1.175 601 A CA 1.508 53.579 52.037 0.057 0.000 0.628 601 A CB -1.073 17.963 19.000 0.060 0.000 0.814 601 A HN 0.465 nan 8.150 nan 0.000 0.444 602 W N 1.024 122.293 121.300 -0.052 0.000 2.355 602 W HA -0.147 4.506 4.660 -0.011 0.000 0.309 602 W C 1.920 178.364 176.519 -0.125 0.000 1.206 602 W CA 1.897 59.194 57.345 -0.080 0.000 1.284 602 W CB -0.234 29.195 29.460 -0.051 0.000 1.145 602 W HN 0.466 nan 8.180 nan 0.000 0.502 603 E N -0.350 119.724 120.200 -0.210 0.000 2.058 603 E HA -0.294 4.050 4.350 -0.010 0.000 0.194 603 E C 2.174 178.542 176.600 -0.388 0.000 0.997 603 E CA 1.521 57.645 56.400 -0.461 0.000 0.801 603 E CB -0.405 29.224 29.700 -0.120 0.000 0.746 603 E HN 0.324 nan 8.360 nan 0.000 0.450 604 Q N -0.203 119.471 119.800 -0.211 0.000 2.123 604 Q HA -0.013 4.321 4.340 -0.010 0.000 0.199 604 Q C 2.113 178.002 176.000 -0.186 0.000 0.966 604 Q CA 1.122 56.830 55.803 -0.158 0.000 0.845 604 Q CB -0.134 28.555 28.738 -0.081 0.000 0.907 604 Q HN 0.240 nan 8.270 nan 0.000 0.439 605 A N 0.388 123.083 122.820 -0.208 0.000 1.969 605 A HA 0.196 4.510 4.320 -0.010 0.000 0.218 605 A C 1.306 178.722 177.584 -0.280 0.000 1.169 605 A CA 1.514 53.435 52.037 -0.192 0.000 0.635 605 A CB -0.724 18.192 19.000 -0.140 0.000 0.810 605 A HN 0.435 nan 8.150 nan 0.000 0.445 606 G N -1.967 106.535 108.800 -0.497 0.000 2.569 606 G HA2 -0.207 3.747 3.960 -0.010 0.000 0.259 606 G HA3 -0.207 3.747 3.960 -0.010 0.000 0.259 606 G C -0.305 174.227 174.900 -0.613 0.000 1.263 606 G CA 0.299 45.017 45.100 -0.637 0.000 0.928 606 G HN 0.718 nan 8.290 nan 0.000 0.572 607 Y N 0.312 120.536 120.300 -0.127 0.000 2.524 607 Y HA 0.674 5.217 4.550 -0.011 0.000 0.344 607 Y C 1.172 177.040 175.900 -0.055 0.000 1.012 607 Y CA -0.949 57.105 58.100 -0.075 0.000 1.068 607 Y CB 1.309 39.745 38.460 -0.039 0.000 1.249 607 Y HN 0.632 nan 8.280 nan 0.000 0.468 608 R N 2.017 122.586 120.500 0.114 0.000 2.570 608 R HA 0.238 4.572 4.340 -0.010 0.000 0.277 608 R C -0.665 175.676 176.300 0.068 0.000 1.039 608 R CA -0.035 56.092 56.100 0.045 0.000 1.065 608 R CB 0.241 30.536 30.300 -0.008 0.000 0.964 608 R HN 0.566 nan 8.270 nan 0.000 0.428 609 I N 4.864 125.464 120.570 0.049 0.000 2.575 609 I HA 0.090 4.254 4.170 -0.010 0.000 0.285 609 I C -1.714 174.444 176.117 0.068 0.000 1.085 609 I CA -2.031 59.303 61.300 0.056 0.000 1.403 609 I CB 0.634 38.653 38.000 0.033 0.000 1.409 609 I HN 0.281 nan 8.210 nan 0.000 0.557 610 P HA 0.044 nan 4.420 nan 0.000 0.261 610 P C -0.931 176.421 177.300 0.087 0.000 1.165 610 P CA 0.367 63.567 63.100 0.167 0.000 0.759 610 P CB 0.405 32.233 31.700 0.214 0.000 0.772 611 L N 1.844 123.101 121.223 0.057 0.000 2.455 611 L HA 0.321 4.655 4.340 -0.010 0.000 0.264 611 L C -0.021 176.855 176.870 0.009 0.000 0.968 611 L CA -0.930 53.924 54.840 0.023 0.000 0.827 611 L CB 2.247 44.306 42.059 -0.001 0.000 1.317 611 L HN 0.254 nan 8.230 nan 0.000 0.407 612 S N 2.249 117.956 115.700 0.011 0.000 2.575 612 S HA 0.267 4.731 4.470 -0.010 0.000 0.295 612 S C 1.156 175.743 174.600 -0.021 0.000 1.267 612 S CA 1.287 59.489 58.200 0.003 0.000 1.074 612 S CB 0.163 63.365 63.200 0.003 0.000 0.829 612 S HN 1.240 nan 8.310 nan 0.000 0.497 613 G N 3.061 111.839 108.800 -0.036 0.000 2.184 613 G HA2 -0.258 3.696 3.960 -0.010 0.000 0.264 613 G HA3 -0.258 3.696 3.960 -0.010 0.000 0.264 613 G C 0.586 175.438 174.900 -0.080 0.000 0.975 613 G CA 0.309 45.377 45.100 -0.054 0.000 0.642 613 G HN 0.956 nan 8.290 nan 0.000 0.536 614 C N 0.128 119.371 119.300 -0.094 0.000 3.785 614 C HA 0.648 5.102 4.460 -0.010 0.000 0.312 614 C C 2.039 176.922 174.990 -0.179 0.000 1.566 614 C CA 0.316 59.266 59.018 -0.114 0.000 1.837 614 C CB -0.467 27.227 27.740 -0.076 0.000 2.826 614 C HN 2.050 nan 8.230 nan 0.000 0.667 615 G N 1.260 109.902 108.800 -0.263 0.000 2.564 615 G HA2 0.269 4.223 3.960 -0.010 0.000 0.273 615 G HA3 0.269 4.223 3.960 -0.010 0.000 0.273 615 G C -0.038 174.709 174.900 -0.255 0.000 1.242 615 G CA 0.136 44.920 45.100 -0.527 0.000 0.951 615 G HN 1.482 nan 8.290 nan 0.000 0.564 616 G N -3.635 105.059 108.800 -0.176 0.000 2.547 616 G HA2 0.713 4.667 3.960 -0.010 0.000 0.291 616 G HA3 0.713 4.667 3.960 -0.010 0.000 0.291 616 G C 0.883 175.852 174.900 0.114 0.000 1.471 616 G CA 1.225 46.378 45.100 0.087 0.000 0.798 616 G HN 2.662 nan 8.290 nan 0.000 0.504 617 G N -1.076 107.773 108.800 0.082 0.000 2.213 617 G HA2 -0.186 3.768 3.960 -0.010 0.000 0.236 617 G HA3 -0.186 3.768 3.960 -0.010 0.000 0.236 617 G C 0.324 175.237 174.900 0.022 0.000 0.991 617 G CA 0.736 45.867 45.100 0.051 0.000 0.629 617 G HN 0.949 nan 8.290 nan 0.000 0.517 618 Q N 1.734 121.451 119.800 -0.138 0.000 2.313 618 Q HA 0.530 4.864 4.340 -0.010 0.000 0.266 618 Q C 0.826 176.911 176.000 0.142 0.000 0.989 618 Q CA 0.506 56.170 55.803 -0.232 0.000 0.890 618 Q CB 1.217 29.634 28.738 -0.535 0.000 1.200 618 Q HN 0.730 nan 8.270 nan 0.000 0.396 619 S N 1.987 117.874 115.700 0.312 0.000 2.549 619 S HA 0.093 4.557 4.470 -0.010 0.000 0.286 619 S C 0.798 175.437 174.600 0.064 0.000 1.314 619 S CA -0.385 57.938 58.200 0.204 0.000 1.062 619 S CB 0.333 63.761 63.200 0.379 0.000 0.865 619 S HN 0.652 nan 8.310 nan 0.000 0.498 620 I N 1.461 122.013 120.570 -0.030 0.000 2.439 620 I HA 0.003 4.167 4.170 -0.010 0.000 0.251 620 I C 1.204 177.329 176.117 0.012 0.000 1.139 620 I CA 0.969 62.255 61.300 -0.025 0.000 1.438 620 I CB -0.099 37.866 38.000 -0.059 0.000 1.085 620 I HN 0.602 nan 8.210 nan 0.000 0.427 621 K N 0.988 121.415 120.400 0.044 0.000 2.340 621 K HA 0.420 4.734 4.320 -0.010 0.000 0.244 621 K C -2.530 174.208 176.600 0.230 0.000 0.973 621 K CA -1.830 54.521 56.287 0.106 0.000 0.828 621 K CB 1.905 34.459 32.500 0.089 0.000 1.226 621 K HN -0.236 nan 8.250 nan 0.000 0.437 622 P HA 0.077 nan 4.420 nan 0.000 0.288 622 P C 0.118 177.461 177.300 0.072 0.000 1.267 622 P CA -0.502 62.679 63.100 0.136 0.000 0.815 622 P CB 1.048 32.794 31.700 0.076 0.000 0.989 623 L N 3.192 124.311 121.223 -0.174 0.000 2.072 623 L HA 0.145 4.479 4.340 -0.010 0.000 0.205 623 L C 1.238 177.988 176.870 -0.199 0.000 1.079 623 L CA 2.565 57.131 54.840 -0.456 0.000 0.752 623 L CB -1.454 39.990 42.059 -1.025 0.000 0.906 623 L HN 0.826 nan 8.230 nan 0.000 0.436 624 G N -1.464 107.275 108.800 -0.101 0.000 2.645 624 G HA2 0.123 4.077 3.960 -0.010 0.000 0.246 624 G HA3 0.123 4.077 3.960 -0.010 0.000 0.246 624 G C 0.899 175.756 174.900 -0.072 0.000 1.322 624 G CA 0.004 45.080 45.100 -0.039 0.000 0.898 624 G HN 1.478 nan 8.290 nan 0.000 0.573 625 G N -2.198 106.556 108.800 -0.076 0.000 2.213 625 G HA2 -0.076 3.878 3.960 -0.010 0.000 0.236 625 G HA3 -0.076 3.878 3.960 -0.010 0.000 0.236 625 G C 0.308 175.108 174.900 -0.166 0.000 0.991 625 G CA 0.868 45.903 45.100 -0.109 0.000 0.629 625 G HN 1.643 nan 8.290 nan 0.000 0.517 626 I N 1.107 121.543 120.570 -0.223 0.000 2.498 626 I HA 0.384 4.548 4.170 -0.010 0.000 0.290 626 I C -1.117 174.694 176.117 -0.510 0.000 1.032 626 I CA -0.921 60.100 61.300 -0.464 0.000 1.073 626 I CB 2.088 39.595 38.000 -0.822 0.000 1.251 626 I HN 0.043 nan 8.210 nan 0.000 0.426 627 D N 5.429 125.570 120.400 -0.432 0.000 2.380 627 D HA 0.225 4.859 4.640 -0.010 0.000 0.230 627 D C -0.003 176.087 176.300 -0.350 0.000 1.154 627 D CA 0.008 53.850 54.000 -0.262 0.000 0.859 627 D CB 0.467 41.186 40.800 -0.135 0.000 1.045 627 D HN 0.255 nan 8.370 nan 0.000 0.495 628 F N 2.484 122.388 119.950 -0.077 0.000 2.732 628 F HA 0.301 4.823 4.527 -0.009 0.000 0.303 628 F C 1.984 177.682 175.800 -0.170 0.000 1.110 628 F CA 0.366 58.292 58.000 -0.123 0.000 1.355 628 F CB -0.026 38.914 39.000 -0.099 0.000 1.081 628 F HN 0.618 nan 8.300 nan 0.000 0.565 629 G N 0.245 109.046 108.800 0.002 0.000 2.550 629 G HA2 -0.271 3.683 3.960 -0.010 0.000 0.277 629 G HA3 -0.271 3.683 3.960 -0.010 0.000 0.277 629 G C -0.037 174.839 174.900 -0.039 0.000 1.190 629 G CA -0.433 44.602 45.100 -0.110 0.000 0.971 629 G HN 0.148 nan 8.290 nan 0.000 0.559 630 E N 2.902 123.009 120.200 -0.156 0.000 2.344 630 E HA 0.319 4.664 4.350 -0.010 0.000 0.270 630 E C -1.693 174.909 176.600 0.003 0.000 1.021 630 E CA -0.946 55.438 56.400 -0.027 0.000 0.887 630 E CB 0.985 30.661 29.700 -0.040 0.000 0.997 630 E HN 0.395 nan 8.360 nan 0.000 0.429 631 P HA 0.066 nan 4.420 nan 0.000 0.271 631 P C -0.421 176.940 177.300 0.101 0.000 1.218 631 P CA -0.247 62.896 63.100 0.072 0.000 0.780 631 P CB 0.707 32.455 31.700 0.080 0.000 0.901 632 V N 4.362 124.353 119.914 0.129 0.000 2.311 632 V HA 0.187 4.301 4.120 -0.010 0.000 0.275 632 V C 0.724 176.906 176.094 0.146 0.000 1.022 632 V CA -0.638 61.776 62.300 0.190 0.000 0.830 632 V CB 0.609 32.619 31.823 0.312 0.000 1.012 632 V HN 0.402 nan 8.190 nan 0.000 0.452 633 L N 5.403 126.696 121.223 0.118 0.000 2.416 633 L HA 0.319 4.653 4.340 -0.010 0.000 0.272 633 L C 1.000 177.885 176.870 0.026 0.000 1.161 633 L CA -0.154 54.734 54.840 0.080 0.000 0.845 633 L CB 0.148 42.264 42.059 0.095 0.000 1.119 633 L HN 0.767 nan 8.230 nan 0.000 0.464 634 N N -0.035 118.682 118.700 0.028 0.000 2.741 634 N HA -0.152 4.582 4.740 -0.010 0.000 0.250 634 N C 0.172 175.702 175.510 0.032 0.000 1.115 634 N CA 1.103 54.155 53.050 0.004 0.000 0.724 634 N CB -1.607 36.791 38.487 -0.148 0.000 1.090 634 N HN 0.896 nan 8.380 nan 0.000 0.558 635 T N -0.811 113.756 114.554 0.022 0.000 2.932 635 T HA 0.370 4.714 4.350 -0.010 0.000 0.312 635 T C 0.146 174.847 174.700 0.000 0.000 1.071 635 T CA -0.147 61.895 62.100 -0.095 0.000 1.128 635 T CB 0.857 69.660 68.868 -0.108 0.000 0.984 635 T HN 0.363 nan 8.240 nan 0.000 0.549 636 Y N -0.576 119.552 120.300 -0.287 0.000 2.609 636 Y HA 0.715 5.262 4.550 -0.005 0.000 0.336 636 Y C -3.291 172.315 175.900 -0.491 0.000 1.129 636 Y CA -3.283 54.541 58.100 -0.460 0.000 1.040 636 Y CB 0.749 39.025 38.460 -0.307 0.000 1.310 636 Y HN 0.468 nan 8.280 nan 0.000 0.460 637 P HA 0.094 nan 4.420 nan 0.000 0.280 637 P C 0.759 177.947 177.300 -0.187 0.000 1.244 637 P CA -0.306 62.569 63.100 -0.376 0.000 0.784 637 P CB 2.223 33.713 31.700 -0.350 0.000 0.913 638 V N 0.213 120.010 119.914 -0.196 0.000 2.970 638 V HA -0.038 4.076 4.120 -0.010 0.000 0.260 638 V C 0.446 176.557 176.094 0.028 0.000 1.100 638 V CA 1.281 63.544 62.300 -0.062 0.000 1.122 638 V CB -1.696 30.068 31.823 -0.099 0.000 0.721 638 V HN 0.721 nan 8.190 nan 0.000 0.483 639 N N -1.515 117.187 118.700 0.004 0.000 3.020 639 N HA 0.266 5.000 4.740 -0.010 0.000 0.248 639 N C -0.339 175.180 175.510 0.016 0.000 1.480 639 N CA -0.516 52.552 53.050 0.030 0.000 0.874 639 N CB 0.762 39.267 38.487 0.031 0.000 1.433 639 N HN 0.034 nan 8.380 nan 0.000 0.530 640 E N -0.967 119.251 120.200 0.030 0.000 2.476 640 E HA 0.138 4.483 4.350 -0.010 0.000 0.191 640 E C -0.097 176.515 176.600 0.020 0.000 1.064 640 E CA 0.212 56.626 56.400 0.024 0.000 0.866 640 E CB -0.423 29.296 29.700 0.032 0.000 0.952 640 E HN 0.514 nan 8.360 nan 0.000 0.492 641 N N -0.143 118.571 118.700 0.022 0.000 2.336 641 N HA 0.007 4.741 4.740 -0.010 0.000 0.189 641 N C -0.280 175.253 175.510 0.038 0.000 1.113 641 N CA -0.193 52.876 53.050 0.032 0.000 0.858 641 N CB 0.750 39.257 38.487 0.034 0.000 0.970 641 N HN -0.107 nan 8.380 nan 0.000 0.471 642 V N 1.453 121.380 119.914 0.021 0.000 2.637 642 V HA 0.035 4.149 4.120 -0.010 0.000 0.296 642 V C 0.559 176.664 176.094 0.018 0.000 1.046 642 V CA 0.013 62.323 62.300 0.016 0.000 1.066 642 V CB 1.263 33.071 31.823 -0.026 0.000 0.968 642 V HN 0.122 nan 8.190 nan 0.000 0.483 643 T N 6.959 121.531 114.554 0.029 0.000 2.729 643 T HA 0.407 4.751 4.350 -0.010 0.000 0.296 643 T C -0.058 174.629 174.700 -0.021 0.000 0.928 643 T CA -0.170 61.940 62.100 0.016 0.000 1.045 643 T CB 0.017 68.898 68.868 0.021 0.000 0.902 643 T HN 0.349 nan 8.240 nan 0.000 0.500 644 L N 5.009 126.232 121.223 -0.000 0.000 2.281 644 L HA 0.339 4.673 4.340 -0.010 0.000 0.285 644 L C 1.093 177.962 176.870 -0.001 0.000 1.074 644 L CA -0.385 54.460 54.840 0.008 0.000 0.817 644 L CB 0.845 42.943 42.059 0.064 0.000 1.168 644 L HN 0.636 nan 8.230 nan 0.000 0.434 645 L N 2.663 123.856 121.223 -0.050 0.000 2.357 645 L HA 0.230 4.564 4.340 -0.010 0.000 0.211 645 L C 0.525 177.381 176.870 -0.023 0.000 1.075 645 L CA 0.335 55.130 54.840 -0.074 0.000 0.830 645 L CB 0.006 41.965 42.059 -0.167 0.000 0.996 645 L HN 0.539 nan 8.230 nan 0.000 0.467 646 R N 0.421 120.919 120.500 -0.003 0.000 2.533 646 R HA 0.610 4.944 4.340 -0.010 0.000 0.288 646 R C -1.155 175.155 176.300 0.016 0.000 1.039 646 R CA -0.225 55.882 56.100 0.012 0.000 0.909 646 R CB 1.917 32.265 30.300 0.079 0.000 1.195 646 R HN -0.065 nan 8.270 nan 0.000 0.438 647 A N 2.855 125.738 122.820 0.105 0.000 3.409 647 A HA 0.304 4.618 4.320 -0.010 0.000 0.282 647 A C -0.871 176.834 177.584 0.202 0.000 1.064 647 A CA -0.661 51.492 52.037 0.193 0.000 0.889 647 A CB 0.261 19.469 19.000 0.347 0.000 1.251 647 A HN 0.419 nan 8.150 nan 0.000 0.538 648 D N 0.127 120.601 120.400 0.123 0.000 2.225 648 D HA 0.498 5.132 4.640 -0.010 0.000 0.249 648 D C 1.226 177.580 176.300 0.091 0.000 1.052 648 D CA 1.225 55.292 54.000 0.112 0.000 0.909 648 D CB 1.481 42.333 40.800 0.086 0.000 1.186 648 D HN 0.920 nan 8.370 nan 0.000 0.431 649 G N 0.955 109.799 108.800 0.074 0.000 2.273 649 G HA2 -0.090 3.864 3.960 -0.010 0.000 0.280 649 G HA3 -0.090 3.864 3.960 -0.010 0.000 0.280 649 G C 0.977 175.891 174.900 0.023 0.000 1.047 649 G CA 0.681 45.809 45.100 0.046 0.000 0.869 649 G HN 1.212 nan 8.290 nan 0.000 0.502 650 G N -1.703 107.085 108.800 -0.021 0.000 2.143 650 G HA2 0.048 4.002 3.960 -0.010 0.000 0.248 650 G HA3 0.048 4.002 3.960 -0.010 0.000 0.248 650 G C 0.249 175.168 174.900 0.031 0.000 0.991 650 G CA 1.537 46.569 45.100 -0.114 0.000 0.689 650 G HN 2.150 nan 8.290 nan 0.000 0.522 651 Q N -2.049 117.859 119.800 0.179 0.000 2.707 651 Q HA 0.739 5.073 4.340 -0.010 0.000 0.307 651 Q C -1.334 174.833 176.000 0.278 0.000 0.934 651 Q CA -1.068 54.913 55.803 0.296 0.000 0.753 651 Q CB 1.815 30.648 28.738 0.158 0.000 1.478 651 Q HN 0.476 nan 8.270 nan 0.000 0.458 652 V N 1.279 121.295 119.914 0.171 0.000 2.459 652 V HA 0.197 4.311 4.120 -0.010 0.000 0.295 652 V C -0.368 175.757 176.094 0.051 0.000 1.029 652 V CA -0.340 62.017 62.300 0.095 0.000 0.874 652 V CB 1.415 33.240 31.823 0.004 0.000 0.985 652 V HN 0.814 nan 8.190 nan 0.000 0.438 653 Q N 2.816 122.516 119.800 -0.166 0.000 2.431 653 Q HA 0.437 4.771 4.340 -0.010 0.000 0.244 653 Q C -0.353 175.268 176.000 -0.633 0.000 0.880 653 Q CA 0.263 55.692 55.803 -0.623 0.000 0.954 653 Q CB 0.886 28.771 28.738 -1.422 0.000 1.105 653 Q HN 0.567 nan 8.270 nan 0.000 0.558 654 L N -0.135 120.907 121.223 -0.301 0.000 2.543 654 L HA 0.814 5.148 4.340 -0.010 0.000 0.265 654 L C -2.065 174.787 176.870 -0.030 0.000 0.945 654 L CA -0.509 54.248 54.840 -0.139 0.000 0.869 654 L CB 1.931 43.969 42.059 -0.035 0.000 1.294 654 L HN -0.018 nan 8.230 nan 0.000 0.405 655 A N 2.289 125.117 122.820 0.013 0.000 2.604 655 A HA 0.840 5.154 4.320 -0.010 0.000 0.295 655 A C -1.202 176.388 177.584 0.009 0.000 1.067 655 A CA -0.213 51.826 52.037 0.004 0.000 0.683 655 A CB 1.989 21.010 19.000 0.035 0.000 1.281 655 A HN 0.640 nan 8.150 nan 0.000 0.407 656 T N 0.252 114.800 114.554 -0.011 0.000 2.909 656 T HA 0.662 5.006 4.350 -0.010 0.000 0.299 656 T C -1.389 173.368 174.700 0.095 0.000 1.073 656 T CA -0.492 61.643 62.100 0.059 0.000 0.999 656 T CB 1.203 70.111 68.868 0.067 0.000 1.098 656 T HN 0.893 nan 8.240 nan 0.000 0.477 657 N N 2.401 121.178 118.700 0.128 0.000 2.310 657 N HA 0.410 5.144 4.740 -0.010 0.000 0.292 657 N C -1.753 173.850 175.510 0.156 0.000 1.049 657 N CA -0.544 52.581 53.050 0.126 0.000 0.849 657 N CB 1.716 40.268 38.487 0.108 0.000 1.532 657 N HN 0.480 nan 8.380 nan 0.000 0.479 658 D N 1.547 122.038 120.400 0.151 0.000 2.350 658 D HA 0.125 4.759 4.640 -0.010 0.000 0.249 658 D C -0.987 175.436 176.300 0.205 0.000 1.119 658 D CA 0.683 54.776 54.000 0.154 0.000 0.886 658 D CB 0.419 41.290 40.800 0.119 0.000 1.195 658 D HN 0.418 nan 8.370 nan 0.000 0.437 659 Y N 2.023 122.347 120.300 0.041 0.000 2.535 659 Y HA 0.410 4.953 4.550 -0.010 0.000 0.341 659 Y C 0.793 176.697 175.900 0.006 0.000 1.041 659 Y CA 0.102 58.216 58.100 0.024 0.000 1.307 659 Y CB 0.543 39.020 38.460 0.028 0.000 1.095 659 Y HN 0.643 nan 8.280 nan 0.000 0.534 660 G N 3.943 112.638 108.800 -0.175 0.000 2.583 660 G HA2 -0.391 3.563 3.960 -0.010 0.000 0.292 660 G HA3 -0.391 3.563 3.960 -0.010 0.000 0.292 660 G C 0.920 175.792 174.900 -0.048 0.000 1.203 660 G CA 0.635 45.654 45.100 -0.136 0.000 0.987 660 G HN 0.588 nan 8.290 nan 0.000 0.554 661 K N 1.312 121.676 120.400 -0.061 0.000 2.365 661 K HA 0.267 4.581 4.320 -0.010 0.000 0.197 661 K C 1.595 178.186 176.600 -0.015 0.000 1.042 661 K CA 0.637 56.871 56.287 -0.089 0.000 0.987 661 K CB 0.052 32.475 32.500 -0.127 0.000 0.779 661 K HN 0.667 nan 8.250 nan 0.000 0.484 662 G N 0.432 109.257 108.800 0.042 0.000 2.795 662 G HA2 0.548 4.502 3.960 -0.010 0.000 0.267 662 G HA3 0.548 4.502 3.960 -0.010 0.000 0.267 662 G C -0.873 174.105 174.900 0.130 0.000 1.362 662 G CA -0.618 44.526 45.100 0.073 0.000 1.048 662 G HN 0.033 nan 8.290 nan 0.000 0.547 663 R N -1.916 118.624 120.500 0.066 0.000 2.740 663 R HA 0.572 4.906 4.340 -0.010 0.000 0.273 663 R C -0.650 175.713 176.300 0.105 0.000 0.998 663 R CA -0.682 55.462 56.100 0.074 0.000 0.900 663 R CB 2.458 32.733 30.300 -0.042 0.000 1.223 663 R HN 0.774 nan 8.270 nan 0.000 0.466 664 G N 0.722 109.597 108.800 0.126 0.000 2.482 664 G HA2 0.609 4.563 3.960 -0.010 0.000 0.317 664 G HA3 0.609 4.563 3.960 -0.010 0.000 0.317 664 G C -1.316 173.668 174.900 0.140 0.000 1.241 664 G CA -0.405 44.788 45.100 0.155 0.000 0.967 664 G HN 0.271 nan 8.290 nan 0.000 0.482 665 V N 1.348 121.337 119.914 0.124 0.000 2.709 665 V HA 0.434 4.548 4.120 -0.010 0.000 0.308 665 V C -1.362 174.787 176.094 0.092 0.000 1.062 665 V CA -0.874 61.481 62.300 0.093 0.000 0.901 665 V CB 1.788 33.648 31.823 0.062 0.000 1.003 665 V HN 0.756 nan 8.190 nan 0.000 0.425 666 Y N 5.360 125.645 120.300 -0.025 0.000 2.360 666 Y HA 0.791 5.336 4.550 -0.009 0.000 0.337 666 Y C -0.544 175.321 175.900 -0.059 0.000 1.039 666 Y CA -1.069 57.004 58.100 -0.046 0.000 1.109 666 Y CB 1.434 39.880 38.460 -0.024 0.000 1.201 666 Y HN 0.533 nan 8.280 nan 0.000 0.458 667 I N 5.337 125.334 120.570 -0.956 0.000 2.512 667 I HA 0.183 4.347 4.170 -0.010 0.000 0.287 667 I C 0.639 176.148 176.117 -1.013 0.000 1.069 667 I CA -0.529 60.339 61.300 -0.719 0.000 1.056 667 I CB 2.350 40.181 38.000 -0.282 0.000 1.229 667 I HN 0.758 nan 8.210 nan 0.000 0.429 668 S N 3.529 118.754 115.700 -0.791 0.000 2.406 668 S HA 0.189 4.653 4.470 -0.010 0.000 0.228 668 S C 0.815 175.282 174.600 -0.221 0.000 1.020 668 S CA 0.570 58.532 58.200 -0.396 0.000 0.965 668 S CB 0.118 63.246 63.200 -0.120 0.000 0.798 668 S HN 0.915 nan 8.310 nan 0.000 0.488 669 G N -0.311 108.382 108.800 -0.178 0.000 2.579 669 G HA2 0.542 4.496 3.960 -0.010 0.000 0.292 669 G HA3 0.542 4.496 3.960 -0.010 0.000 0.292 669 G C -2.066 172.758 174.900 -0.127 0.000 1.484 669 G CA -0.828 44.123 45.100 -0.248 0.000 0.813 669 G HN 0.449 nan 8.290 nan 0.000 0.515 670 L N 1.404 122.480 121.223 -0.245 0.000 2.457 670 L HA 0.448 4.782 4.340 -0.010 0.000 0.259 670 L C -2.544 174.230 176.870 -0.160 0.000 1.377 670 L CA -1.177 53.568 54.840 -0.157 0.000 0.887 670 L CB 1.929 43.927 42.059 -0.101 0.000 1.085 670 L HN 0.272 nan 8.230 nan 0.000 0.509 671 P HA -0.009 nan 4.420 nan 0.000 0.269 671 P C -1.244 176.080 177.300 0.041 0.000 1.209 671 P CA 0.172 63.259 63.100 -0.021 0.000 0.776 671 P CB 0.208 31.963 31.700 0.091 0.000 0.876 672 Y N 2.983 123.303 120.300 0.034 0.000 2.544 672 Y HA 0.328 4.872 4.550 -0.010 0.000 0.330 672 Y C 0.247 176.152 175.900 0.008 0.000 1.136 672 Y CA 0.868 58.975 58.100 0.012 0.000 1.417 672 Y CB 0.159 38.637 38.460 0.030 0.000 1.229 672 Y HN 0.491 nan 8.280 nan 0.000 0.532 673 S N 3.294 118.419 115.700 -0.959 0.000 2.615 673 S HA 0.699 5.163 4.470 -0.010 0.000 0.269 673 S C 0.292 174.362 174.600 -0.883 0.000 1.161 673 S CA -0.609 57.056 58.200 -0.891 0.000 0.817 673 S CB 0.993 63.966 63.200 -0.378 0.000 1.131 673 S HN 0.933 nan 8.310 nan 0.000 0.467 674 A N 1.114 123.623 122.820 -0.519 0.000 1.902 674 A HA 0.235 4.549 4.320 -0.010 0.000 0.217 674 A C 2.324 179.784 177.584 -0.207 0.000 1.181 674 A CA 2.178 54.053 52.037 -0.271 0.000 0.623 674 A CB -1.670 17.248 19.000 -0.137 0.000 0.818 674 A HN 1.593 nan 8.150 nan 0.000 0.443 675 A N 0.196 122.891 122.820 -0.207 0.000 1.883 675 A HA -0.219 4.096 4.320 -0.010 0.000 0.217 675 A C 1.919 179.393 177.584 -0.182 0.000 1.186 675 A CA 2.005 53.938 52.037 -0.173 0.000 0.624 675 A CB -0.637 18.258 19.000 -0.175 0.000 0.822 675 A HN 0.537 nan 8.150 nan 0.000 0.444 676 N N 0.100 118.662 118.700 -0.230 0.000 2.270 676 N HA 0.011 4.745 4.740 -0.010 0.000 0.181 676 N C 1.779 177.217 175.510 -0.119 0.000 1.016 676 N CA 1.330 54.262 53.050 -0.197 0.000 0.870 676 N CB -0.516 37.840 38.487 -0.217 0.000 0.979 676 N HN 0.461 nan 8.380 nan 0.000 0.431 677 A N 0.952 123.699 122.820 -0.122 0.000 1.902 677 A HA -0.118 4.196 4.320 -0.010 0.000 0.217 677 A C 2.262 179.860 177.584 0.024 0.000 1.181 677 A CA 1.479 53.519 52.037 0.005 0.000 0.623 677 A CB -0.377 18.670 19.000 0.077 0.000 0.818 677 A HN 0.167 nan 8.150 nan 0.000 0.443 678 R N -0.293 120.198 120.500 -0.015 0.000 2.081 678 R HA -0.064 4.270 4.340 -0.010 0.000 0.235 678 R C 1.858 178.157 176.300 -0.002 0.000 1.131 678 R CA 1.698 57.806 56.100 0.012 0.000 0.960 678 R CB -0.997 29.289 30.300 -0.023 0.000 0.856 678 R HN 0.409 nan 8.270 nan 0.000 0.436 679 L N 0.089 121.281 121.223 -0.052 0.000 1.989 679 L HA -0.110 4.224 4.340 -0.010 0.000 0.211 679 L C 2.093 178.967 176.870 0.006 0.000 1.071 679 L CA 1.790 56.597 54.840 -0.056 0.000 0.749 679 L CB -0.755 41.245 42.059 -0.098 0.000 0.890 679 L HN 0.380 nan 8.230 nan 0.000 0.431 680 L N -0.268 120.964 121.223 0.016 0.000 2.046 680 L HA -0.236 4.098 4.340 -0.010 0.000 0.208 680 L C 2.482 179.422 176.870 0.115 0.000 1.077 680 L CA 2.199 57.068 54.840 0.048 0.000 0.747 680 L CB -0.853 41.227 42.059 0.035 0.000 0.896 680 L HN 0.549 nan 8.230 nan 0.000 0.432 681 E N -0.563 119.732 120.200 0.158 0.000 2.085 681 E HA -0.282 4.062 4.350 -0.010 0.000 0.194 681 E C 2.319 179.190 176.600 0.451 0.000 0.994 681 E CA 1.394 57.973 56.400 0.300 0.000 0.801 681 E CB -0.097 29.799 29.700 0.327 0.000 0.743 681 E HN 0.504 nan 8.360 nan 0.000 0.453 682 R N -0.092 120.577 120.500 0.283 0.000 2.120 682 R HA -0.093 4.241 4.340 -0.010 0.000 0.234 682 R C 2.468 179.033 176.300 0.441 0.000 1.123 682 R CA 1.115 57.381 56.100 0.276 0.000 0.975 682 R CB -0.179 30.020 30.300 -0.168 0.000 0.866 682 R HN 0.124 nan 8.270 nan 0.000 0.446 683 V N 1.574 121.643 119.914 0.258 0.000 2.332 683 V HA -0.258 3.856 4.120 -0.010 0.000 0.248 683 V C 2.256 178.490 176.094 0.234 0.000 1.055 683 V CA 1.745 64.177 62.300 0.220 0.000 1.038 683 V CB -0.362 31.521 31.823 0.101 0.000 0.651 683 V HN 0.286 nan 8.190 nan 0.000 0.450 684 L N -1.700 119.640 121.223 0.195 0.000 2.056 684 L HA -0.146 4.188 4.340 -0.010 0.000 0.207 684 L C 2.390 179.290 176.870 0.050 0.000 1.078 684 L CA 1.661 56.543 54.840 0.069 0.000 0.749 684 L CB -0.631 41.411 42.059 -0.028 0.000 0.901 684 L HN 0.231 nan 8.230 nan 0.000 0.433 685 F N -1.199 118.880 119.950 0.213 0.000 2.102 685 F HA -0.265 4.256 4.527 -0.010 0.000 0.298 685 F C 2.558 178.377 175.800 0.031 0.000 1.105 685 F CA 1.687 59.795 58.000 0.180 0.000 1.239 685 F CB -0.691 38.522 39.000 0.355 0.000 0.991 685 F HN -0.052 nan 8.300 nan 0.000 0.474 686 Y N 0.488 120.867 120.300 0.132 0.000 2.145 686 Y HA -0.195 4.349 4.550 -0.010 0.000 0.286 686 Y C 2.372 178.195 175.900 -0.130 0.000 1.145 686 Y CA 1.365 59.395 58.100 -0.116 0.000 1.148 686 Y CB -0.614 37.879 38.460 0.054 0.000 0.981 686 Y HN -0.016 nan 8.280 nan 0.000 0.507 687 A N -0.572 122.306 122.820 0.096 0.000 1.972 687 A HA -0.157 4.157 4.320 -0.010 0.000 0.219 687 A C 2.157 179.654 177.584 -0.145 0.000 1.169 687 A CA 1.711 53.736 52.037 -0.021 0.000 0.635 687 A CB -1.129 17.916 19.000 0.076 0.000 0.810 687 A HN 0.535 nan 8.150 nan 0.000 0.446 688 S N -1.902 113.739 115.700 -0.099 0.000 2.710 688 S HA 0.067 4.531 4.470 -0.010 0.000 0.224 688 S C 0.436 175.018 174.600 -0.030 0.000 0.948 688 S CA 0.263 58.421 58.200 -0.070 0.000 0.949 688 S CB -0.688 62.482 63.200 -0.049 0.000 0.778 688 S HN 0.574 nan 8.310 nan 0.000 0.498 689 H N 0.675 119.634 119.070 -0.185 0.000 2.741 689 H HA -0.146 4.404 4.556 -0.010 0.000 0.305 689 H C -0.419 174.834 175.328 -0.125 0.000 1.169 689 H CA 1.145 57.066 56.048 -0.212 0.000 1.144 689 H CB -2.122 27.534 29.762 -0.176 0.000 1.397 689 H HN 0.705 nan 8.280 nan 0.000 0.409 690 N N 0.024 118.727 118.700 0.005 0.000 2.338 690 N HA 0.044 4.778 4.740 -0.010 0.000 0.251 690 N C 1.044 176.666 175.510 0.186 0.000 1.199 690 N CA -0.179 52.948 53.050 0.129 0.000 0.879 690 N CB 0.548 39.148 38.487 0.188 0.000 1.159 690 N HN 0.302 nan 8.380 nan 0.000 0.514 691 E N 0.929 121.075 120.200 -0.091 0.000 2.130 691 E HA -0.259 4.085 4.350 -0.010 0.000 0.196 691 E C 1.491 178.087 176.600 -0.007 0.000 0.998 691 E CA 1.436 57.658 56.400 -0.297 0.000 0.806 691 E CB -0.036 29.285 29.700 -0.631 0.000 0.738 691 E HN 0.501 nan 8.360 nan 0.000 0.459 692 D N 0.709 121.119 120.400 0.017 0.000 2.264 692 D HA -0.207 4.427 4.640 -0.010 0.000 0.208 692 D C 1.553 177.897 176.300 0.073 0.000 0.966 692 D CA 1.010 55.037 54.000 0.044 0.000 0.864 692 D CB -0.133 40.681 40.800 0.022 0.000 0.933 692 D HN 0.113 nan 8.370 nan 0.000 0.499 693 K N -1.048 119.438 120.400 0.144 0.000 2.426 693 K HA -0.072 4.242 4.320 -0.010 0.000 0.193 693 K C 1.654 178.293 176.600 0.064 0.000 1.028 693 K CA -0.200 56.196 56.287 0.181 0.000 1.047 693 K CB -0.029 32.670 32.500 0.331 0.000 0.821 693 K HN 0.136 nan 8.250 nan 0.000 0.513 694 Y N 0.646 120.807 120.300 -0.233 0.000 2.242 694 Y HA -0.137 4.407 4.550 -0.010 0.000 0.291 694 Y C 1.904 177.558 175.900 -0.410 0.000 1.137 694 Y CA 1.549 59.201 58.100 -0.748 0.000 1.181 694 Y CB -0.164 38.030 38.460 -0.443 0.000 0.989 694 Y HN 0.067 nan 8.280 nan 0.000 0.527 695 A N 1.305 123.981 122.820 -0.239 0.000 1.933 695 A HA 0.112 4.426 4.320 -0.010 0.000 0.218 695 A C 1.611 178.949 177.584 -0.409 0.000 1.175 695 A CA 0.737 52.601 52.037 -0.288 0.000 0.628 695 A CB -1.507 17.430 19.000 -0.105 0.000 0.814 695 A HN 0.512 nan 8.150 nan 0.000 0.444 696 A N -1.587 121.007 122.820 -0.377 0.000 2.522 696 A HA 0.340 4.654 4.320 -0.010 0.000 0.256 696 A C 0.066 177.377 177.584 -0.456 0.000 1.086 696 A CA 0.304 51.996 52.037 -0.574 0.000 0.763 696 A CB -1.326 17.414 19.000 -0.433 0.000 1.024 696 A HN 0.977 nan 8.150 nan 0.000 0.502 697 W N 0.780 121.890 121.300 -0.317 0.000 4.754 697 W HA -0.207 4.447 4.660 -0.010 0.000 0.389 697 W C 0.664 176.994 176.519 -0.315 0.000 1.497 697 W CA 0.511 57.656 57.345 -0.333 0.000 0.851 697 W CB -2.142 27.151 29.460 -0.278 0.000 2.661 697 W HN 1.144 nan 8.180 nan 0.000 1.339 698 S N -1.013 114.543 115.700 -0.241 0.000 2.600 698 S HA 0.829 5.293 4.470 -0.010 0.000 0.300 698 S C -0.322 174.167 174.600 -0.185 0.000 1.087 698 S CA -0.364 57.664 58.200 -0.286 0.000 0.965 698 S CB 2.269 65.109 63.200 -0.600 0.000 1.089 698 S HN 0.552 nan 8.310 nan 0.000 0.496 699 S N 0.819 116.441 115.700 -0.130 0.000 2.449 699 S HA 0.419 4.883 4.470 -0.010 0.000 0.310 699 S C 1.207 175.783 174.600 -0.039 0.000 1.096 699 S CA -0.067 58.092 58.200 -0.070 0.000 1.095 699 S CB 0.932 64.096 63.200 -0.062 0.000 1.007 699 S HN 1.133 nan 8.310 nan 0.000 0.474 700 S N 4.173 119.862 115.700 -0.018 0.000 2.370 700 S HA -0.122 4.342 4.470 -0.010 0.000 0.226 700 S C 0.899 175.496 174.600 -0.005 0.000 1.033 700 S CA 0.727 58.924 58.200 -0.004 0.000 1.011 700 S CB -0.765 62.436 63.200 0.002 0.000 0.852 700 S HN 0.757 nan 8.310 nan 0.000 0.457 701 N N 3.334 122.033 118.700 -0.003 0.000 2.431 701 N HA 0.228 4.962 4.740 -0.010 0.000 0.265 701 N C -2.159 173.341 175.510 -0.017 0.000 1.184 701 N CA -1.933 51.112 53.050 -0.008 0.000 0.943 701 N CB 1.317 39.805 38.487 0.002 0.000 1.080 701 N HN 0.067 nan 8.380 nan 0.000 0.477 702 P HA -0.070 nan 4.420 nan 0.000 0.222 702 P C 0.541 177.823 177.300 -0.031 0.000 1.147 702 P CA 0.991 64.074 63.100 -0.029 0.000 0.790 702 P CB 0.397 32.067 31.700 -0.050 0.000 0.780 703 E N -1.271 118.912 120.200 -0.028 0.000 2.418 703 E HA -0.041 4.303 4.350 -0.010 0.000 0.197 703 E C 0.472 177.062 176.600 -0.016 0.000 1.026 703 E CA 0.502 56.890 56.400 -0.021 0.000 0.862 703 E CB -0.416 29.275 29.700 -0.015 0.000 0.799 703 E HN 0.288 nan 8.360 nan 0.000 0.518 704 C N 0.697 119.983 119.300 -0.024 0.000 2.399 704 C HA 0.542 4.996 4.460 -0.010 0.000 0.348 704 C C 0.467 175.430 174.990 -0.045 0.000 1.183 704 C CA -0.772 58.221 59.018 -0.041 0.000 2.023 704 C CB 1.476 29.181 27.740 -0.059 0.000 2.361 704 C HN 0.197 nan 8.230 nan 0.000 0.521 705 E N -0.152 120.011 120.200 -0.062 0.000 2.393 705 E HA 0.669 5.013 4.350 -0.010 0.000 0.273 705 E C -1.643 174.907 176.600 -0.084 0.000 0.918 705 E CA -0.524 55.841 56.400 -0.057 0.000 0.773 705 E CB 2.321 31.999 29.700 -0.037 0.000 1.275 705 E HN 0.388 nan 8.360 nan 0.000 0.451 706 V N 0.900 120.775 119.914 -0.066 0.000 2.604 706 V HA 0.723 4.837 4.120 -0.010 0.000 0.305 706 V C -0.871 175.187 176.094 -0.059 0.000 1.043 706 V CA -0.676 61.595 62.300 -0.049 0.000 0.888 706 V CB 1.659 33.469 31.823 -0.021 0.000 0.995 706 V HN 0.745 nan 8.190 nan 0.000 0.429 707 A N 2.895 125.669 122.820 -0.077 0.000 2.332 707 A HA 0.611 4.926 4.320 -0.010 0.000 0.300 707 A C -0.732 176.691 177.584 -0.269 0.000 1.153 707 A CA -0.496 51.409 52.037 -0.221 0.000 0.764 707 A CB 0.571 19.447 19.000 -0.207 0.000 1.174 707 A HN 0.978 nan 8.150 nan 0.000 0.467 708 H N 2.745 121.481 119.070 -0.556 0.000 2.488 708 H HA 0.532 5.082 4.556 -0.010 0.000 0.322 708 H C -1.741 173.167 175.328 -0.701 0.000 1.078 708 H CA -0.465 55.200 56.048 -0.639 0.000 1.260 708 H CB 0.633 29.694 29.762 -1.168 0.000 1.425 708 H HN 0.501 nan 8.280 nan 0.000 0.471 709 F N 7.834 127.429 119.950 -0.593 0.000 2.366 709 F HA 0.231 4.753 4.527 -0.010 0.000 0.357 709 F C -1.618 173.854 175.800 -0.548 0.000 1.107 709 F CA -2.097 55.643 58.000 -0.433 0.000 1.208 709 F CB 1.277 40.209 39.000 -0.113 0.000 1.464 709 F HN 0.522 nan 8.300 nan 0.000 0.501 710 P HA -0.237 nan 4.420 nan 0.000 0.215 710 P C 1.136 178.386 177.300 -0.083 0.000 1.157 710 P CA 1.768 64.638 63.100 -0.383 0.000 0.868 710 P CB 0.140 31.710 31.700 -0.217 0.000 0.788 711 E N 0.041 120.214 120.200 -0.045 0.000 2.409 711 E HA -0.175 4.169 4.350 -0.010 0.000 0.198 711 E C 1.005 177.613 176.600 0.013 0.000 1.024 711 E CA 0.767 57.169 56.400 0.004 0.000 0.861 711 E CB -0.621 29.085 29.700 0.010 0.000 0.788 711 E HN 0.269 nan 8.360 nan 0.000 0.521 712 Q N 0.103 119.915 119.800 0.019 0.000 2.188 712 Q HA 0.239 4.573 4.340 -0.010 0.000 0.212 712 Q C 0.739 176.767 176.000 0.047 0.000 0.846 712 Q CA 0.451 56.262 55.803 0.014 0.000 0.989 712 Q CB 1.081 29.802 28.738 -0.028 0.000 1.114 712 Q HN 0.414 nan 8.270 nan 0.000 0.488 713 G N 0.799 109.638 108.800 0.065 0.000 2.402 713 G HA2 -0.293 3.661 3.960 -0.010 0.000 0.300 713 G HA3 -0.293 3.661 3.960 -0.010 0.000 0.300 713 G C -0.265 174.741 174.900 0.177 0.000 0.987 713 G CA 0.617 45.790 45.100 0.122 0.000 0.881 713 G HN 0.320 nan 8.290 nan 0.000 0.512 714 L N -1.342 119.996 121.223 0.191 0.000 2.309 714 L HA 0.883 5.217 4.340 -0.010 0.000 0.261 714 L C 0.029 177.146 176.870 0.411 0.000 1.021 714 L CA -1.743 53.274 54.840 0.294 0.000 0.823 714 L CB 2.006 44.246 42.059 0.303 0.000 1.366 714 L HN 0.338 nan 8.230 nan 0.000 0.423 715 Y N -0.185 120.318 120.300 0.339 0.000 2.588 715 Y HA 0.769 5.313 4.550 -0.010 0.000 0.343 715 Y C -0.787 175.145 175.900 0.053 0.000 1.065 715 Y CA -1.740 56.494 58.100 0.223 0.000 1.038 715 Y CB 1.248 39.816 38.460 0.181 0.000 1.297 715 Y HN 0.712 nan 8.280 nan 0.000 0.467 716 C N 1.720 120.931 119.300 -0.149 0.000 2.889 716 C HA 0.916 5.370 4.460 -0.010 0.000 0.307 716 C C -1.156 173.653 174.990 -0.302 0.000 1.251 716 C CA -1.044 57.545 59.018 -0.715 0.000 1.593 716 C CB 1.141 27.759 27.740 -1.869 0.000 2.104 716 C HN 1.125 nan 8.230 nan 0.000 0.476 717 V N 3.900 123.564 119.914 -0.416 0.000 2.588 717 V HA 0.789 4.903 4.120 -0.010 0.000 0.304 717 V C -0.438 175.464 176.094 -0.321 0.000 1.042 717 V CA -0.521 61.575 62.300 -0.340 0.000 0.877 717 V CB 1.594 33.087 31.823 -0.550 0.000 0.996 717 V HN 1.048 nan 8.190 nan 0.000 0.425 718 I N 3.153 123.596 120.570 -0.212 0.000 2.569 718 I HA 0.654 4.818 4.170 -0.010 0.000 0.296 718 I C -0.678 175.385 176.117 -0.090 0.000 1.028 718 I CA -0.790 60.426 61.300 -0.140 0.000 1.082 718 I CB 2.142 40.067 38.000 -0.125 0.000 1.264 718 I HN 0.532 nan 8.210 nan 0.000 0.429 719 N N 3.785 122.458 118.700 -0.044 0.000 2.414 719 N HA 0.268 5.003 4.740 -0.010 0.000 0.256 719 N C -0.318 175.191 175.510 -0.001 0.000 1.029 719 N CA -0.192 52.851 53.050 -0.011 0.000 0.948 719 N CB 0.613 39.112 38.487 0.021 0.000 1.102 719 N HN 0.750 nan 8.380 nan 0.000 0.496 720 N N 0.923 119.622 118.700 -0.001 0.000 2.370 720 N HA 0.006 4.740 4.740 -0.010 0.000 0.198 720 N C -0.274 175.259 175.510 0.038 0.000 1.156 720 N CA 0.056 53.113 53.050 0.012 0.000 0.839 720 N CB 0.407 38.910 38.487 0.028 0.000 0.989 720 N HN 0.619 nan 8.380 nan 0.000 0.468 721 T N -2.561 112.015 114.554 0.038 0.000 2.888 721 T HA 0.213 4.557 4.350 -0.010 0.000 0.288 721 T C 0.025 174.760 174.700 0.058 0.000 1.063 721 T CA -0.889 61.239 62.100 0.047 0.000 1.010 721 T CB 1.672 70.559 68.868 0.032 0.000 1.214 721 T HN -0.036 nan 8.240 nan 0.000 0.533 722 D N -0.722 119.713 120.400 0.059 0.000 2.342 722 D HA 0.110 4.744 4.640 -0.010 0.000 0.221 722 D C 0.269 176.597 176.300 0.048 0.000 1.101 722 D CA -0.193 53.844 54.000 0.062 0.000 0.837 722 D CB 0.027 40.867 40.800 0.066 0.000 0.938 722 D HN 0.620 nan 8.370 nan 0.000 0.508 723 Q N 0.290 120.115 119.800 0.041 0.000 2.297 723 Q HA 0.471 4.805 4.340 -0.010 0.000 0.268 723 Q C -2.720 173.302 176.000 0.037 0.000 1.045 723 Q CA -2.360 53.464 55.803 0.034 0.000 0.861 723 Q CB 1.366 30.120 28.738 0.026 0.000 1.344 723 Q HN -0.031 nan 8.270 nan 0.000 0.452 724 P HA 0.022 nan 4.420 nan 0.000 0.271 724 P C -0.950 176.373 177.300 0.038 0.000 1.216 724 P CA 0.148 63.272 63.100 0.041 0.000 0.776 724 P CB 0.555 32.278 31.700 0.039 0.000 0.881 725 Q N 2.300 122.127 119.800 0.045 0.000 2.292 725 Q HA 0.299 4.633 4.340 -0.010 0.000 0.270 725 Q C -0.464 175.572 176.000 0.061 0.000 1.024 725 Q CA -0.609 55.218 55.803 0.041 0.000 0.768 725 Q CB 2.435 31.190 28.738 0.028 0.000 1.250 725 Q HN 0.373 nan 8.270 nan 0.000 0.447 726 K N 1.431 121.865 120.400 0.057 0.000 2.234 726 K HA 0.565 4.879 4.320 -0.010 0.000 0.282 726 K C -0.051 176.596 176.600 0.077 0.000 1.039 726 K CA -0.233 56.100 56.287 0.076 0.000 0.928 726 K CB 1.445 33.979 32.500 0.056 0.000 1.039 726 K HN 0.487 nan 8.250 nan 0.000 0.470 727 T N 0.777 115.405 114.554 0.124 0.000 2.853 727 T HA 0.296 4.640 4.350 -0.010 0.000 0.311 727 T C -1.326 173.488 174.700 0.189 0.000 1.307 727 T CA -0.491 61.676 62.100 0.112 0.000 1.019 727 T CB 1.709 70.615 68.868 0.063 0.000 1.264 727 T HN 0.450 nan 8.240 nan 0.000 0.497 728 T N 2.604 117.235 114.554 0.130 0.000 2.779 728 T HA 0.585 4.929 4.350 -0.010 0.000 0.280 728 T C -0.415 174.350 174.700 0.109 0.000 0.987 728 T CA -0.458 61.726 62.100 0.140 0.000 0.966 728 T CB 1.174 70.076 68.868 0.057 0.000 0.933 728 T HN 0.484 nan 8.240 nan 0.000 0.442 729 V N 3.852 123.876 119.914 0.184 0.000 2.439 729 V HA 0.404 4.518 4.120 -0.010 0.000 0.282 729 V C 0.555 176.609 176.094 -0.066 0.000 1.039 729 V CA -0.600 61.729 62.300 0.048 0.000 0.913 729 V CB 1.534 33.421 31.823 0.106 0.000 0.983 729 V HN 0.933 nan 8.190 nan 0.000 0.460 730 T N 6.500 120.941 114.554 -0.188 0.000 2.767 730 T HA 0.592 4.937 4.350 -0.010 0.000 0.284 730 T C -0.010 174.375 174.700 -0.526 0.000 0.973 730 T CA -0.303 61.630 62.100 -0.279 0.000 0.996 730 T CB 0.760 69.480 68.868 -0.248 0.000 0.927 730 T HN 0.334 nan 8.240 nan 0.000 0.456 731 L N 1.588 122.437 121.223 -0.622 0.000 2.472 731 L HA 0.524 4.858 4.340 -0.010 0.000 0.256 731 L C 2.017 178.214 176.870 -1.122 0.000 1.111 731 L CA -1.035 53.101 54.840 -1.173 0.000 0.800 731 L CB 0.107 41.684 42.059 -0.803 0.000 1.286 731 L HN 0.718 nan 8.230 nan 0.000 0.479 732 A N 0.428 122.421 122.820 -1.378 0.000 1.972 732 A HA -0.197 4.117 4.320 -0.010 0.000 0.219 732 A C 1.552 178.934 177.584 -0.336 0.000 1.169 732 A CA 1.826 53.447 52.037 -0.693 0.000 0.635 732 A CB -0.720 18.130 19.000 -0.249 0.000 0.810 732 A HN 0.926 nan 8.150 nan 0.000 0.446 733 D N -2.645 117.590 120.400 -0.274 0.000 2.323 733 D HA 0.270 4.904 4.640 -0.010 0.000 0.209 733 D C 1.250 177.463 176.300 -0.145 0.000 0.973 733 D CA 1.150 55.063 54.000 -0.145 0.000 0.874 733 D CB -0.415 40.336 40.800 -0.083 0.000 0.930 733 D HN 0.805 nan 8.370 nan 0.000 0.521 734 G N -0.200 108.475 108.800 -0.207 0.000 2.184 734 G HA2 -0.226 3.728 3.960 -0.010 0.000 0.206 734 G HA3 -0.226 3.728 3.960 -0.010 0.000 0.206 734 G C 0.469 175.286 174.900 -0.138 0.000 0.995 734 G CA 0.184 45.186 45.100 -0.163 0.000 0.651 734 G HN 0.732 nan 8.290 nan 0.000 0.511 735 T N 0.422 114.892 114.554 -0.139 0.000 2.898 735 T HA 0.564 4.908 4.350 -0.010 0.000 0.301 735 T C 0.476 175.107 174.700 -0.115 0.000 1.049 735 T CA 0.792 62.833 62.100 -0.098 0.000 1.095 735 T CB 1.702 70.533 68.868 -0.063 0.000 0.976 735 T HN 1.298 nan 8.240 nan 0.000 0.539 736 T N -0.240 114.273 114.554 -0.069 0.000 2.908 736 T HA 0.673 5.017 4.350 -0.010 0.000 0.290 736 T C -0.957 173.738 174.700 -0.009 0.000 1.034 736 T CA -1.083 60.987 62.100 -0.050 0.000 1.010 736 T CB 1.861 70.704 68.868 -0.041 0.000 1.068 736 T HN 0.762 nan 8.240 nan 0.000 0.481 737 E N 1.118 121.341 120.200 0.039 0.000 2.314 737 E HA 0.391 4.735 4.350 -0.010 0.000 0.272 737 E C -1.240 175.342 176.600 -0.030 0.000 0.884 737 E CA -0.984 55.421 56.400 0.008 0.000 0.753 737 E CB 1.982 31.748 29.700 0.111 0.000 1.213 737 E HN 0.661 nan 8.360 nan 0.000 0.432 738 D N 1.581 121.840 120.400 -0.235 0.000 2.228 738 D HA 0.538 5.172 4.640 -0.010 0.000 0.247 738 D C -0.758 175.264 176.300 -0.462 0.000 0.995 738 D CA -0.217 53.684 54.000 -0.164 0.000 0.903 738 D CB 1.475 42.230 40.800 -0.074 0.000 1.205 738 D HN 0.205 nan 8.370 nan 0.000 0.459 739 F N 0.253 120.229 119.950 0.043 0.000 2.596 739 F HA 0.152 4.673 4.527 -0.010 0.000 0.311 739 F C -0.295 175.526 175.800 0.035 0.000 1.116 739 F CA -0.920 57.108 58.000 0.046 0.000 0.957 739 F CB 2.190 41.223 39.000 0.055 0.000 1.250 739 F HN 0.010 nan 8.300 nan 0.000 0.444 740 D N 4.087 124.614 120.400 0.211 0.000 2.461 740 D HA 0.414 5.048 4.640 -0.010 0.000 0.240 740 D C -1.166 175.223 176.300 0.148 0.000 1.094 740 D CA -0.103 53.982 54.000 0.142 0.000 0.868 740 D CB 1.021 41.872 40.800 0.086 0.000 1.062 740 D HN 0.446 nan 8.370 nan 0.000 0.530 741 L N 5.596 126.898 121.223 0.131 0.000 2.289 741 L HA 0.448 4.782 4.340 -0.010 0.000 0.285 741 L C -1.836 175.084 176.870 0.082 0.000 1.049 741 L CA -1.612 53.293 54.840 0.108 0.000 0.804 741 L CB 1.723 43.825 42.059 0.072 0.000 1.195 741 L HN 0.208 nan 8.230 nan 0.000 0.428 742 P HA 0.002 nan 4.420 nan 0.000 0.275 742 P C -0.788 176.553 177.300 0.068 0.000 1.266 742 P CA -0.527 62.614 63.100 0.069 0.000 0.793 742 P CB 0.496 32.237 31.700 0.069 0.000 1.074 743 D N 0.472 120.906 120.400 0.057 0.000 2.923 743 D HA -0.143 4.492 4.640 -0.010 0.000 0.220 743 D C 0.012 176.364 176.300 0.087 0.000 1.099 743 D CA 1.276 55.313 54.000 0.061 0.000 0.807 743 D CB -0.617 40.211 40.800 0.046 0.000 1.155 743 D HN 0.363 nan 8.370 nan 0.000 0.524 744 S N 0.952 116.715 115.700 0.104 0.000 3.445 744 S HA -0.143 4.321 4.470 -0.010 0.000 0.319 744 S C 0.859 175.572 174.600 0.188 0.000 1.209 744 S CA 0.598 58.891 58.200 0.156 0.000 0.934 744 S CB -1.927 61.416 63.200 0.238 0.000 0.999 744 S HN 0.920 nan 8.310 nan 0.000 0.582 745 G N 0.127 109.006 108.800 0.133 0.000 2.636 745 G HA2 0.572 4.526 3.960 -0.010 0.000 0.246 745 G HA3 0.572 4.526 3.960 -0.010 0.000 0.246 745 G C -0.358 174.602 174.900 0.100 0.000 1.216 745 G CA -0.172 45.013 45.100 0.140 0.000 0.854 745 G HN 0.612 nan 8.290 nan 0.000 0.572 746 I N -0.344 120.290 120.570 0.107 0.000 2.802 746 I HA 0.684 4.848 4.170 -0.010 0.000 0.298 746 I C -0.658 175.464 176.117 0.009 0.000 1.176 746 I CA -0.979 60.326 61.300 0.008 0.000 1.025 746 I CB 2.148 40.201 38.000 0.088 0.000 1.243 746 I HN 0.756 nan 8.210 nan 0.000 0.424 747 A N 5.358 128.070 122.820 -0.181 0.000 2.486 747 A HA 0.747 5.061 4.320 -0.010 0.000 0.300 747 A C -2.361 175.045 177.584 -0.297 0.000 1.048 747 A CA -0.357 51.651 52.037 -0.047 0.000 0.696 747 A CB 0.967 20.032 19.000 0.109 0.000 1.278 747 A HN 0.680 nan 8.150 nan 0.000 0.405 748 W N 1.495 122.787 121.300 -0.013 0.000 2.666 748 W HA 0.798 5.452 4.660 -0.010 0.000 0.334 748 W C 0.280 176.714 176.519 -0.142 0.000 1.051 748 W CA -0.290 56.991 57.345 -0.108 0.000 1.224 748 W CB 1.694 31.114 29.460 -0.067 0.000 1.405 748 W HN 0.572 nan 8.180 nan 0.000 0.513 749 R N 1.237 121.655 120.500 -0.137 0.000 2.774 749 R HA 0.317 4.651 4.340 -0.010 0.000 0.272 749 R C -0.212 176.077 176.300 -0.019 0.000 1.000 749 R CA -1.080 54.942 56.100 -0.129 0.000 0.906 749 R CB 1.806 31.947 30.300 -0.264 0.000 1.227 749 R HN 0.686 nan 8.270 nan 0.000 0.468 750 E N 0.000 120.277 120.200 0.128 0.000 2.725 750 E HA 0.000 4.344 4.350 -0.010 0.000 0.291 750 E CA 0.000 56.519 56.400 0.198 0.000 0.976 750 E CB 0.000 29.789 29.700 0.148 0.000 0.812 750 E HN 0.000 nan 8.360 nan 0.000 0.440