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 1aig_1_O DATA FIRST_RESID 3 DATA SEQUENCE YQNIFSQVQV RGPADLGMTE DVNLANRSGV GPFSTLLGWF GNAQLGPIYL DATA SEQUENCE GSLGVLSLFS GLMWFFTIGI WFWYQAGWNP AVFLRDLFFF SLEPPAPEYG DATA SEQUENCE LSFAAPLKEG GLWLIASFFM FVAVWSWWGR TYLRAQALGM GKHTAWAFLS DATA SEQUENCE AIWLWMVLGF IRPILMGSWS EAVPYGIFSH LDWTNNFSLV HGNLFYNPFH DATA SEQUENCE GLSIAFLYGS ALLFAMHGAT ILAVSRFGGE RELEQIADRG TAAERAALFW DATA SEQUENCE RWTMGFNATM EGIHRWAIWM AVLVTLTGGI GILLSGTVVD NWYVWGQNH 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 Y HA 0.000 nan 4.550 nan 0.000 0.201 3 Y C 0.000 175.888 175.900 -0.020 0.000 1.272 3 Y CA 0.000 58.098 58.100 -0.003 0.000 1.940 3 Y CB 0.000 38.459 38.460 -0.001 0.000 1.050 4 Q N 2.760 122.221 119.800 -0.565 0.000 2.396 4 Q HA 0.064 4.404 4.340 0.001 0.000 0.209 4 Q C 0.319 175.893 176.000 -0.710 0.000 0.906 4 Q CA 0.827 56.322 55.803 -0.512 0.000 0.927 4 Q CB 0.282 28.862 28.738 -0.263 0.000 1.069 4 Q HN 0.764 nan 8.270 nan 0.000 0.523 5 N N 0.215 118.149 118.700 -1.278 0.000 2.754 5 N HA -0.159 4.581 4.740 0.001 0.000 0.248 5 N C 0.190 175.474 175.510 -0.378 0.000 1.093 5 N CA 0.269 52.895 53.050 -0.708 0.000 0.699 5 N CB -0.949 37.292 38.487 -0.410 0.000 1.016 5 N HN 0.180 nan 8.380 nan 0.000 0.552 6 I N -1.492 118.860 120.570 -0.362 0.000 2.731 6 I HA 0.156 4.326 4.170 0.001 0.000 0.260 6 I C 0.658 176.385 176.117 -0.650 0.000 1.138 6 I CA 0.858 61.882 61.300 -0.460 0.000 1.461 6 I CB -0.559 37.170 38.000 -0.451 0.000 1.128 6 I HN 0.038 nan 8.210 nan 0.000 0.438 7 F N 0.494 120.533 119.950 0.148 0.000 2.522 7 F HA 0.422 4.950 4.527 0.001 0.000 0.324 7 F C 0.879 176.884 175.800 0.342 0.000 1.077 7 F CA -0.853 57.313 58.000 0.277 0.000 0.944 7 F CB 1.311 40.459 39.000 0.247 0.000 1.175 7 F HN -0.324 nan 8.300 nan 0.000 0.468 8 S N 1.420 117.457 115.700 0.561 0.000 2.580 8 S HA 0.141 4.612 4.470 0.001 0.000 0.274 8 S C 0.877 175.775 174.600 0.497 0.000 1.329 8 S CA -0.546 57.918 58.200 0.440 0.000 1.036 8 S CB 1.274 64.638 63.200 0.274 0.000 0.919 8 S HN 0.689 nan 8.310 nan 0.000 0.515 9 Q N 0.610 120.567 119.800 0.261 0.000 2.123 9 Q HA 0.134 4.475 4.340 0.001 0.000 0.196 9 Q C 0.177 176.322 176.000 0.241 0.000 0.958 9 Q CA 0.722 56.622 55.803 0.161 0.000 0.841 9 Q CB 0.249 28.906 28.738 -0.134 0.000 0.915 9 Q HN 0.430 nan 8.270 nan 0.000 0.455 10 V N 1.261 121.256 119.914 0.134 0.000 2.525 10 V HA 0.217 4.337 4.120 0.001 0.000 0.299 10 V C -1.483 174.607 176.094 -0.008 0.000 1.034 10 V CA -0.577 61.767 62.300 0.073 0.000 0.863 10 V CB 1.792 33.627 31.823 0.019 0.000 0.999 10 V HN 0.147 nan 8.190 nan 0.000 0.423 11 Q N 4.048 123.781 119.800 -0.112 0.000 2.267 11 Q HA 0.574 4.914 4.340 0.001 0.000 0.255 11 Q C -0.995 174.930 176.000 -0.126 0.000 0.923 11 Q CA -0.380 55.312 55.803 -0.185 0.000 0.925 11 Q CB 2.313 30.819 28.738 -0.385 0.000 1.195 11 Q HN 0.609 nan 8.270 nan 0.000 0.417 12 V N 3.953 123.808 119.914 -0.099 0.000 2.409 12 V HA 0.434 4.554 4.120 0.001 0.000 0.291 12 V C -0.409 175.628 176.094 -0.094 0.000 1.020 12 V CA -0.451 61.800 62.300 -0.081 0.000 0.848 12 V CB 1.644 33.436 31.823 -0.053 0.000 0.990 12 V HN 0.641 nan 8.190 nan 0.000 0.430 13 R N 2.923 123.349 120.500 -0.123 0.000 2.740 13 R HA 0.803 5.143 4.340 0.001 0.000 0.282 13 R C -0.128 176.081 176.300 -0.151 0.000 0.969 13 R CA -0.207 55.795 56.100 -0.164 0.000 0.918 13 R CB 2.284 32.408 30.300 -0.293 0.000 1.175 13 R HN 0.830 nan 8.270 nan 0.000 0.464 14 G N 2.124 110.845 108.800 -0.133 0.000 3.176 14 G HA2 0.536 4.497 3.960 0.001 0.000 0.272 14 G HA3 0.536 4.497 3.960 0.001 0.000 0.272 14 G C -2.631 172.217 174.900 -0.088 0.000 1.349 14 G CA -1.041 44.002 45.100 -0.094 0.000 0.953 14 G HN 0.437 nan 8.290 nan 0.000 0.559 15 P HA 0.414 nan 4.420 nan 0.000 0.269 15 P C -0.111 177.247 177.300 0.096 0.000 1.209 15 P CA -0.047 63.062 63.100 0.014 0.000 0.776 15 P CB 0.788 32.494 31.700 0.009 0.000 0.876 16 A N 2.111 125.037 122.820 0.176 0.000 2.491 16 A HA 0.066 4.386 4.320 0.001 0.000 0.261 16 A C 0.351 177.997 177.584 0.104 0.000 1.101 16 A CA 0.007 52.183 52.037 0.232 0.000 0.772 16 A CB -0.463 18.673 19.000 0.227 0.000 1.043 16 A HN 0.484 nan 8.150 nan 0.000 0.501 17 D N 2.988 123.440 120.400 0.087 0.000 2.374 17 D HA 0.212 4.852 4.640 0.001 0.000 0.240 17 D C 0.836 177.144 176.300 0.014 0.000 1.229 17 D CA 0.041 54.065 54.000 0.040 0.000 0.895 17 D CB 0.416 41.236 40.800 0.034 0.000 1.046 17 D HN 0.489 nan 8.370 nan 0.000 0.498 18 L N 2.900 124.130 121.223 0.012 0.000 2.478 18 L HA 0.153 4.493 4.340 0.001 0.000 0.223 18 L C 1.563 178.431 176.870 -0.003 0.000 1.140 18 L CA 0.521 55.362 54.840 0.003 0.000 0.842 18 L CB -0.613 41.450 42.059 0.007 0.000 0.953 18 L HN 0.639 nan 8.230 nan 0.000 0.452 19 G N -0.565 108.232 108.800 -0.006 0.000 2.698 19 G HA2 -0.186 3.774 3.960 0.001 0.000 0.225 19 G HA3 -0.186 3.774 3.960 0.001 0.000 0.225 19 G C -0.412 174.477 174.900 -0.019 0.000 1.345 19 G CA -0.912 44.178 45.100 -0.016 0.000 0.871 19 G HN -0.145 nan 8.290 nan 0.000 0.540 20 M N 0.722 120.304 119.600 -0.030 0.000 2.217 20 M HA 0.343 4.824 4.480 0.001 0.000 0.354 20 M C 1.645 177.924 176.300 -0.035 0.000 1.225 20 M CA 0.299 55.578 55.300 -0.034 0.000 1.137 20 M CB 0.138 32.710 32.600 -0.047 0.000 1.576 20 M HN 0.683 nan 8.290 nan 0.000 0.461 21 T N 0.870 115.407 114.554 -0.029 0.000 2.837 21 T HA 0.036 4.387 4.350 0.001 0.000 0.242 21 T C 0.680 175.357 174.700 -0.039 0.000 1.044 21 T CA 0.528 62.613 62.100 -0.025 0.000 1.202 21 T CB 0.060 68.919 68.868 -0.015 0.000 0.905 21 T HN 0.734 nan 8.240 nan 0.000 0.413 22 E N 0.507 120.684 120.200 -0.039 0.000 3.431 22 E HA -0.171 4.179 4.350 0.001 0.000 0.294 22 E C -0.414 176.160 176.600 -0.043 0.000 1.487 22 E CA 1.477 57.849 56.400 -0.047 0.000 2.027 22 E CB -0.827 28.833 29.700 -0.066 0.000 1.966 22 E HN 0.446 nan 8.360 nan 0.000 0.482 23 D N 0.261 120.628 120.400 -0.054 0.000 2.538 23 D HA 0.132 4.772 4.640 0.001 0.000 0.234 23 D C -0.379 175.891 176.300 -0.050 0.000 1.191 23 D CA 0.083 54.056 54.000 -0.044 0.000 0.828 23 D CB -0.087 40.686 40.800 -0.045 0.000 0.981 23 D HN -0.007 nan 8.370 nan 0.000 0.490 24 V N 2.005 121.885 119.914 -0.057 0.000 2.555 24 V HA -0.031 4.090 4.120 0.001 0.000 0.286 24 V C 0.878 176.998 176.094 0.044 0.000 1.044 24 V CA -0.553 61.714 62.300 -0.055 0.000 1.026 24 V CB 1.136 32.913 31.823 -0.077 0.000 0.981 24 V HN 0.155 nan 8.190 nan 0.000 0.480 25 N N 4.559 123.342 118.700 0.138 0.000 2.402 25 N HA 0.057 4.797 4.740 0.001 0.000 0.259 25 N C 0.508 176.127 175.510 0.181 0.000 1.167 25 N CA -0.263 52.877 53.050 0.150 0.000 0.949 25 N CB 1.027 39.612 38.487 0.163 0.000 1.212 25 N HN 0.496 nan 8.380 nan 0.000 0.493 26 L N 3.604 124.879 121.223 0.087 0.000 2.456 26 L HA 0.024 4.365 4.340 0.001 0.000 0.224 26 L C 2.166 179.043 176.870 0.013 0.000 1.148 26 L CA 0.868 55.744 54.840 0.060 0.000 0.825 26 L CB -0.917 41.160 42.059 0.030 0.000 0.937 26 L HN 0.679 nan 8.230 nan 0.000 0.450 27 A N -0.761 122.055 122.820 -0.007 0.000 2.014 27 A HA -0.116 4.204 4.320 0.001 0.000 0.218 27 A C 1.967 179.486 177.584 -0.108 0.000 1.163 27 A CA 1.180 53.190 52.037 -0.045 0.000 0.652 27 A CB -0.359 18.619 19.000 -0.037 0.000 0.808 27 A HN 0.435 nan 8.150 nan 0.000 0.449 28 N N -0.584 118.005 118.700 -0.186 0.000 2.463 28 N HA 0.014 4.755 4.740 0.001 0.000 0.181 28 N C 0.757 175.987 175.510 -0.468 0.000 1.078 28 N CA 0.256 53.046 53.050 -0.434 0.000 0.902 28 N CB -0.178 37.806 38.487 -0.837 0.000 0.970 28 N HN 0.453 nan 8.380 nan 0.000 0.451 29 R N 1.131 121.507 120.500 -0.206 0.000 2.490 29 R HA 0.141 4.481 4.340 0.001 0.000 0.280 29 R C 0.652 176.910 176.300 -0.071 0.000 1.077 29 R CA -0.137 55.923 56.100 -0.067 0.000 1.065 29 R CB 0.579 30.913 30.300 0.058 0.000 1.003 29 R HN 0.099 nan 8.270 nan 0.000 0.470 30 S N 1.843 117.513 115.700 -0.051 0.000 2.652 30 S HA 0.471 4.942 4.470 0.001 0.000 0.267 30 S C 0.429 175.010 174.600 -0.031 0.000 1.201 30 S CA -0.498 57.675 58.200 -0.045 0.000 0.996 30 S CB 1.089 64.267 63.200 -0.038 0.000 1.054 30 S HN 0.695 nan 8.310 nan 0.000 0.561 31 G N -0.362 108.420 108.800 -0.030 0.000 2.476 31 G HA2 0.470 4.430 3.960 0.001 0.000 0.269 31 G HA3 0.470 4.430 3.960 0.001 0.000 0.269 31 G C -0.434 174.446 174.900 -0.034 0.000 1.195 31 G CA -0.792 44.293 45.100 -0.025 0.000 0.843 31 G HN 0.763 nan 8.290 nan 0.000 0.545 32 V N 1.724 121.617 119.914 -0.035 0.000 2.599 32 V HA 0.280 4.400 4.120 0.001 0.000 0.300 32 V C 1.562 177.602 176.094 -0.090 0.000 1.034 32 V CA 0.572 62.830 62.300 -0.069 0.000 1.115 32 V CB 0.436 32.227 31.823 -0.054 0.000 0.934 32 V HN 0.935 nan 8.190 nan 0.000 0.485 33 G N 6.683 115.400 108.800 -0.138 0.000 2.611 33 G HA2 0.366 4.326 3.960 0.001 0.000 0.273 33 G HA3 0.366 4.326 3.960 0.001 0.000 0.273 33 G C -2.012 172.781 174.900 -0.178 0.000 1.305 33 G CA -0.732 44.289 45.100 -0.133 0.000 1.010 33 G HN 0.654 nan 8.290 nan 0.000 0.509 34 P HA 0.200 nan 4.420 nan 0.000 0.274 34 P C -1.134 176.061 177.300 -0.174 0.000 1.264 34 P CA -0.059 63.016 63.100 -0.043 0.000 0.795 34 P CB 0.559 32.266 31.700 0.012 0.000 1.064 35 F N -0.837 119.106 119.950 -0.012 0.000 2.467 35 F HA 0.294 4.821 4.527 0.000 0.000 0.336 35 F C 0.935 176.723 175.800 -0.021 0.000 1.123 35 F CA -0.364 57.623 58.000 -0.021 0.000 0.964 35 F CB 1.743 40.724 39.000 -0.032 0.000 1.136 35 F HN 0.086 nan 8.300 nan 0.000 0.447 36 S N 2.170 117.943 115.700 0.121 0.000 2.429 36 S HA 0.180 4.650 4.470 0.001 0.000 0.302 36 S C 0.929 175.559 174.600 0.050 0.000 1.115 36 S CA -0.356 57.891 58.200 0.079 0.000 1.095 36 S CB 1.259 64.492 63.200 0.055 0.000 0.987 36 S HN 0.786 nan 8.310 nan 0.000 0.474 37 T N 4.697 119.265 114.554 0.023 0.000 2.904 37 T HA -0.037 4.313 4.350 0.001 0.000 0.267 37 T C 1.692 176.334 174.700 -0.097 0.000 1.059 37 T CA 1.076 63.122 62.100 -0.090 0.000 1.137 37 T CB -0.292 68.556 68.868 -0.033 0.000 0.879 37 T HN 0.566 nan 8.240 nan 0.000 0.467 38 L N 0.806 122.094 121.223 0.109 0.000 2.056 38 L HA 0.127 4.468 4.340 0.001 0.000 0.207 38 L C 2.051 179.066 176.870 0.243 0.000 1.078 38 L CA 1.628 56.626 54.840 0.263 0.000 0.749 38 L CB -0.450 41.721 42.059 0.187 0.000 0.901 38 L HN 0.275 nan 8.230 nan 0.000 0.433 39 L N -1.030 120.275 121.223 0.137 0.000 2.217 39 L HA -0.054 4.286 4.340 0.001 0.000 0.211 39 L C 2.457 179.410 176.870 0.138 0.000 1.107 39 L CA 0.925 55.858 54.840 0.155 0.000 0.783 39 L CB -1.293 40.828 42.059 0.103 0.000 0.919 39 L HN 0.442 nan 8.230 nan 0.000 0.442 40 G N -0.527 108.262 108.800 -0.020 0.000 2.448 40 G HA2 -0.246 3.714 3.960 0.001 0.000 0.219 40 G HA3 -0.246 3.714 3.960 0.001 0.000 0.219 40 G C 1.121 175.966 174.900 -0.092 0.000 1.127 40 G CA 0.150 45.177 45.100 -0.122 0.000 0.766 40 G HN 0.413 nan 8.290 nan 0.000 0.552 41 W N -1.158 120.270 121.300 0.214 0.000 2.425 41 W HA 0.217 4.877 4.660 0.000 0.000 0.277 41 W C 1.942 178.736 176.519 0.458 0.000 1.231 41 W CA -0.187 57.340 57.345 0.302 0.000 1.248 41 W CB -0.139 29.488 29.460 0.279 0.000 1.117 41 W HN 0.164 nan 8.180 nan 0.000 0.568 42 F N -0.980 119.199 119.950 0.382 0.000 2.557 42 F HA 0.416 4.943 4.527 0.000 0.000 0.278 42 F C 1.581 177.441 175.800 0.100 0.000 1.051 42 F CA 1.290 59.432 58.000 0.238 0.000 1.357 42 F CB -0.340 38.809 39.000 0.248 0.000 1.104 42 F HN -0.234 nan 8.300 nan 0.000 0.654 43 G N -0.658 108.234 108.800 0.153 0.000 3.253 43 G HA2 0.177 4.138 3.960 0.001 0.000 0.175 43 G HA3 0.177 4.138 3.960 0.001 0.000 0.175 43 G C -1.130 173.792 174.900 0.036 0.000 1.098 43 G CA -0.687 44.422 45.100 0.016 0.000 0.790 43 G HN -0.077 nan 8.290 nan 0.000 0.648 44 N N 0.842 119.561 118.700 0.031 0.000 2.513 44 N HA 0.369 5.110 4.740 0.001 0.000 0.268 44 N C 1.120 176.657 175.510 0.044 0.000 1.180 44 N CA 0.450 53.518 53.050 0.030 0.000 0.948 44 N CB 1.723 40.220 38.487 0.017 0.000 1.083 44 N HN 0.518 nan 8.380 nan 0.000 0.455 45 A N 2.541 125.401 122.820 0.067 0.000 1.970 45 A HA -0.093 4.227 4.320 0.001 0.000 0.216 45 A C 1.018 178.649 177.584 0.078 0.000 1.170 45 A CA 0.634 52.736 52.037 0.108 0.000 0.645 45 A CB -0.227 18.871 19.000 0.164 0.000 0.816 45 A HN 0.755 nan 8.150 nan 0.000 0.447 46 Q N 0.389 120.184 119.800 -0.009 0.000 2.286 46 Q HA 0.347 4.688 4.340 0.001 0.000 0.267 46 Q C -1.495 174.322 176.000 -0.305 0.000 1.028 46 Q CA -0.230 55.326 55.803 -0.411 0.000 0.901 46 Q CB 0.249 28.802 28.738 -0.309 0.000 1.183 46 Q HN 0.351 nan 8.270 nan 0.000 0.392 47 L N 4.177 125.172 121.223 -0.379 0.000 2.289 47 L HA 0.627 4.967 4.340 0.001 0.000 0.285 47 L C 0.546 177.282 176.870 -0.224 0.000 1.049 47 L CA 0.873 55.584 54.840 -0.216 0.000 0.804 47 L CB 1.487 43.455 42.059 -0.151 0.000 1.195 47 L HN 0.894 nan 8.230 nan 0.000 0.428 48 G N 3.540 112.259 108.800 -0.134 0.000 2.756 48 G HA2 -0.078 3.882 3.960 0.001 0.000 0.678 48 G HA3 -0.078 3.882 3.960 0.001 0.000 0.678 48 G C -3.032 171.810 174.900 -0.097 0.000 1.349 48 G CA -0.848 44.192 45.100 -0.100 0.000 0.847 48 G HN 0.535 nan 8.290 nan 0.000 0.548 49 P HA 0.636 nan 4.420 nan 0.000 0.293 49 P C -0.260 177.036 177.300 -0.006 0.000 1.291 49 P CA -0.761 62.318 63.100 -0.035 0.000 0.867 49 P CB 1.844 33.528 31.700 -0.026 0.000 1.074 50 I N 2.548 123.119 120.570 0.002 0.000 2.577 50 I HA 0.271 4.441 4.170 0.001 0.000 0.300 50 I C -0.494 175.661 176.117 0.063 0.000 0.990 50 I CA -1.149 60.171 61.300 0.034 0.000 1.283 50 I CB 0.845 38.864 38.000 0.031 0.000 1.411 50 I HN 0.314 nan 8.210 nan 0.000 0.515 51 Y N 6.744 127.009 120.300 -0.059 0.000 2.310 51 Y HA 0.504 5.054 4.550 0.001 0.000 0.326 51 Y C -0.942 174.920 175.900 -0.062 0.000 1.151 51 Y CA -0.413 57.647 58.100 -0.066 0.000 1.195 51 Y CB 1.026 39.432 38.460 -0.090 0.000 1.210 51 Y HN 0.397 nan 8.280 nan 0.000 0.483 52 L N 7.029 128.001 121.223 -0.419 0.000 2.457 52 L HA 0.440 4.780 4.340 0.001 0.000 0.252 52 L C 0.491 177.155 176.870 -0.343 0.000 1.132 52 L CA -0.457 54.236 54.840 -0.244 0.000 0.938 52 L CB 0.640 42.599 42.059 -0.167 0.000 1.246 52 L HN 0.870 nan 8.230 nan 0.000 0.476 53 G N -0.072 108.628 108.800 -0.166 0.000 2.535 53 G HA2 0.262 4.222 3.960 0.001 0.000 0.282 53 G HA3 0.262 4.222 3.960 0.001 0.000 0.282 53 G C 0.803 175.698 174.900 -0.008 0.000 1.350 53 G CA -0.150 44.924 45.100 -0.043 0.000 1.039 53 G HN 0.397 nan 8.290 nan 0.000 0.509 54 S N -0.676 115.037 115.700 0.022 0.000 2.353 54 S HA -0.121 4.350 4.470 0.001 0.000 0.222 54 S C 2.448 177.079 174.600 0.051 0.000 1.035 54 S CA 1.052 59.268 58.200 0.027 0.000 1.025 54 S CB -0.431 62.788 63.200 0.032 0.000 0.902 54 S HN 0.374 nan 8.310 nan 0.000 0.440 55 L N 1.108 122.364 121.223 0.056 0.000 2.083 55 L HA -0.067 4.274 4.340 0.001 0.000 0.209 55 L C 2.767 179.680 176.870 0.071 0.000 1.083 55 L CA 1.067 55.946 54.840 0.065 0.000 0.752 55 L CB -1.169 40.908 42.059 0.030 0.000 0.899 55 L HN 0.444 nan 8.230 nan 0.000 0.433 56 G N -0.321 108.502 108.800 0.039 0.000 2.459 56 G HA2 -0.211 3.749 3.960 0.001 0.000 0.217 56 G HA3 -0.211 3.749 3.960 0.001 0.000 0.217 56 G C 1.494 176.467 174.900 0.121 0.000 1.183 56 G CA 1.124 46.252 45.100 0.047 0.000 0.776 56 G HN 0.235 nan 8.290 nan 0.000 0.552 57 V N 0.541 120.508 119.914 0.089 0.000 2.788 57 V HA 0.037 4.157 4.120 0.001 0.000 0.251 57 V C 2.511 178.703 176.094 0.164 0.000 1.068 57 V CA 1.078 63.443 62.300 0.108 0.000 1.090 57 V CB 0.046 31.896 31.823 0.046 0.000 0.710 57 V HN 0.332 nan 8.190 nan 0.000 0.467 58 L N 0.289 121.606 121.223 0.156 0.000 2.046 58 L HA -0.101 4.239 4.340 0.001 0.000 0.208 58 L C 2.517 179.528 176.870 0.234 0.000 1.077 58 L CA 2.380 57.343 54.840 0.203 0.000 0.747 58 L CB -0.743 41.413 42.059 0.162 0.000 0.896 58 L HN 0.270 nan 8.230 nan 0.000 0.432 59 S N -0.976 114.859 115.700 0.226 0.000 2.368 59 S HA -0.130 4.341 4.470 0.001 0.000 0.224 59 S C 2.013 176.741 174.600 0.214 0.000 1.029 59 S CA 1.520 59.874 58.200 0.257 0.000 0.988 59 S CB -0.391 63.068 63.200 0.432 0.000 0.838 59 S HN 0.492 nan 8.310 nan 0.000 0.462 60 L N -0.075 121.285 121.223 0.228 0.000 2.291 60 L HA 0.072 4.412 4.340 0.001 0.000 0.214 60 L C 2.022 178.972 176.870 0.135 0.000 1.120 60 L CA 0.830 55.770 54.840 0.165 0.000 0.799 60 L CB -0.277 41.885 42.059 0.170 0.000 0.925 60 L HN 0.394 nan 8.230 nan 0.000 0.446 61 F N -0.645 119.331 119.950 0.044 0.000 2.118 61 F HA -0.131 4.396 4.527 0.000 0.000 0.293 61 F C 2.576 178.356 175.800 -0.033 0.000 1.102 61 F CA 1.465 59.463 58.000 -0.002 0.000 1.247 61 F CB -0.348 38.653 39.000 0.002 0.000 1.017 61 F HN -0.109 nan 8.300 nan 0.000 0.475 62 S N 0.279 115.892 115.700 -0.145 0.000 2.370 62 S HA -0.144 4.326 4.470 0.001 0.000 0.226 62 S C 2.305 176.832 174.600 -0.122 0.000 1.033 62 S CA 1.256 59.356 58.200 -0.167 0.000 1.011 62 S CB -1.240 62.023 63.200 0.106 0.000 0.852 62 S HN 0.612 nan 8.310 nan 0.000 0.457 63 G N 1.228 110.019 108.800 -0.016 0.000 2.442 63 G HA2 -0.142 3.818 3.960 0.001 0.000 0.219 63 G HA3 -0.142 3.818 3.960 0.001 0.000 0.219 63 G C 1.250 176.213 174.900 0.106 0.000 1.141 63 G CA 0.570 45.730 45.100 0.101 0.000 0.763 63 G HN 0.466 nan 8.290 nan 0.000 0.554 64 L N -0.051 121.123 121.223 -0.080 0.000 2.395 64 L HA 0.122 4.462 4.340 0.001 0.000 0.218 64 L C 2.722 179.506 176.870 -0.144 0.000 1.130 64 L CA 0.073 54.870 54.840 -0.071 0.000 0.826 64 L CB -0.115 41.877 42.059 -0.113 0.000 0.941 64 L HN 0.145 nan 8.230 nan 0.000 0.451 65 M N -1.600 117.730 119.600 -0.451 0.000 2.334 65 M HA -0.127 4.353 4.480 0.001 0.000 0.266 65 M C 1.974 178.150 176.300 -0.207 0.000 1.082 65 M CA 1.199 56.126 55.300 -0.623 0.000 1.141 65 M CB -0.932 30.625 32.600 -1.738 0.000 1.380 65 M HN 0.421 nan 8.290 nan 0.000 0.440 66 W N 0.495 121.674 121.300 -0.202 0.000 2.381 66 W HA -0.209 4.452 4.660 0.001 0.000 0.301 66 W C 2.068 178.534 176.519 -0.087 0.000 1.205 66 W CA 1.115 58.433 57.345 -0.045 0.000 1.285 66 W CB -0.875 28.556 29.460 -0.049 0.000 1.133 66 W HN 0.170 nan 8.180 nan 0.000 0.521 67 F N -0.150 119.611 119.950 -0.315 0.000 2.325 67 F HA -0.093 4.435 4.527 0.000 0.000 0.299 67 F C 2.079 177.749 175.800 -0.216 0.000 1.090 67 F CA 1.630 59.352 58.000 -0.464 0.000 1.392 67 F CB -0.794 38.035 39.000 -0.286 0.000 1.053 67 F HN -0.052 nan 8.300 nan 0.000 0.521 68 F N 0.389 120.230 119.950 -0.182 0.000 2.293 68 F HA -0.047 4.480 4.527 0.000 0.000 0.297 68 F C 2.143 177.845 175.800 -0.163 0.000 1.089 68 F CA 1.765 59.671 58.000 -0.156 0.000 1.377 68 F CB -0.790 38.152 39.000 -0.096 0.000 1.051 68 F HN -0.166 nan 8.300 nan 0.000 0.511 69 T N 1.121 115.564 114.554 -0.185 0.000 2.851 69 T HA -0.042 4.308 4.350 0.001 0.000 0.262 69 T C 2.144 176.661 174.700 -0.305 0.000 1.043 69 T CA 1.652 63.637 62.100 -0.192 0.000 1.140 69 T CB -0.305 68.603 68.868 0.067 0.000 0.872 69 T HN 0.242 nan 8.240 nan 0.000 0.446 70 I N 1.433 121.698 120.570 -0.508 0.000 2.315 70 I HA -0.064 4.106 4.170 0.001 0.000 0.248 70 I C 2.883 178.553 176.117 -0.745 0.000 1.117 70 I CA 1.172 62.077 61.300 -0.660 0.000 1.404 70 I CB -0.659 36.761 38.000 -0.966 0.000 1.071 70 I HN 0.302 nan 8.210 nan 0.000 0.419 71 G N 1.969 110.346 108.800 -0.705 0.000 2.422 71 G HA2 -0.200 3.760 3.960 0.001 0.000 0.218 71 G HA3 -0.200 3.760 3.960 0.001 0.000 0.218 71 G C 1.619 176.504 174.900 -0.025 0.000 1.146 71 G CA 0.912 45.759 45.100 -0.422 0.000 0.769 71 G HN 0.561 nan 8.290 nan 0.000 0.547 72 I N -3.305 117.163 120.570 -0.171 0.000 2.928 72 I HA 0.089 4.259 4.170 0.001 0.000 0.266 72 I C 2.367 178.580 176.117 0.159 0.000 1.234 72 I CA 0.311 61.623 61.300 0.020 0.000 1.483 72 I CB -0.335 37.543 38.000 -0.203 0.000 1.097 72 I HN 0.332 nan 8.210 nan 0.000 0.455 73 W N 1.986 123.256 121.300 -0.050 0.000 2.453 73 W HA -0.124 4.537 4.660 0.001 0.000 0.289 73 W C 1.935 178.508 176.519 0.089 0.000 1.215 73 W CA 0.677 58.059 57.345 0.061 0.000 1.297 73 W CB -0.114 29.407 29.460 0.102 0.000 1.113 73 W HN 0.070 nan 8.180 nan 0.000 0.551 74 F N -0.293 119.507 119.950 -0.251 0.000 2.171 74 F HA -0.122 4.405 4.527 0.000 0.000 0.300 74 F C 2.047 177.343 175.800 -0.840 0.000 1.090 74 F CA 0.953 58.492 58.000 -0.768 0.000 1.293 74 F CB -1.642 37.061 39.000 -0.496 0.000 1.013 74 F HN -0.080 nan 8.300 nan 0.000 0.486 75 W N -1.539 119.675 121.300 -0.144 0.000 2.363 75 W HA -0.248 4.413 4.660 0.001 0.000 0.296 75 W C 2.594 178.487 176.519 -1.044 0.000 1.212 75 W CA 1.311 58.454 57.345 -0.337 0.000 1.260 75 W CB -0.808 28.571 29.460 -0.135 0.000 1.131 75 W HN 0.036 nan 8.180 nan 0.000 0.530 76 Y N 1.146 120.819 120.300 -1.045 0.000 2.163 76 Y HA -0.271 4.279 4.550 0.000 0.000 0.288 76 Y C 2.258 177.610 175.900 -0.914 0.000 1.136 76 Y CA 2.083 59.425 58.100 -1.262 0.000 1.147 76 Y CB -0.725 37.310 38.460 -0.707 0.000 0.987 76 Y HN 0.003 nan 8.280 nan 0.000 0.509 77 Q N -0.521 118.660 119.800 -1.031 0.000 2.230 77 Q HA -0.044 4.296 4.340 0.001 0.000 0.202 77 Q C 2.248 177.878 176.000 -0.617 0.000 0.963 77 Q CA 0.881 56.153 55.803 -0.886 0.000 0.866 77 Q CB -0.201 28.044 28.738 -0.821 0.000 0.931 77 Q HN 0.574 nan 8.270 nan 0.000 0.452 78 A N 0.410 122.822 122.820 -0.681 0.000 2.168 78 A HA 0.163 4.484 4.320 0.001 0.000 0.215 78 A C 1.544 179.019 177.584 -0.183 0.000 1.152 78 A CA 0.825 52.709 52.037 -0.254 0.000 0.716 78 A CB -0.542 18.372 19.000 -0.144 0.000 0.794 78 A HN 0.448 nan 8.150 nan 0.000 0.465 79 G N -2.745 105.802 108.800 -0.423 0.000 2.221 79 G HA2 -0.313 3.647 3.960 0.001 0.000 0.265 79 G HA3 -0.313 3.647 3.960 0.001 0.000 0.265 79 G C 0.323 175.206 174.900 -0.028 0.000 1.041 79 G CA 0.297 45.208 45.100 -0.315 0.000 0.807 79 G HN 1.087 nan 8.290 nan 0.000 0.502 80 W N -2.378 119.024 121.300 0.170 0.000 2.902 80 W HA -0.238 4.423 4.660 0.001 0.000 0.278 80 W C 0.884 177.586 176.519 0.305 0.000 1.066 80 W CA 0.459 57.968 57.345 0.274 0.000 0.570 80 W CB -1.711 27.793 29.460 0.074 0.000 2.092 80 W HN 0.685 nan 8.180 nan 0.000 1.423 81 N N 1.121 120.063 118.700 0.403 0.000 2.419 81 N HA 0.204 4.944 4.740 0.001 0.000 0.264 81 N C -1.129 174.614 175.510 0.387 0.000 1.031 81 N CA -2.014 51.224 53.050 0.314 0.000 0.951 81 N CB 1.479 40.071 38.487 0.174 0.000 1.101 81 N HN -0.258 nan 8.380 nan 0.000 0.488 82 P HA -0.080 nan 4.420 nan 0.000 0.216 82 P C 0.682 178.113 177.300 0.219 0.000 1.150 82 P CA 1.400 64.725 63.100 0.375 0.000 0.837 82 P CB 0.226 32.139 31.700 0.356 0.000 0.786 83 A N -0.810 122.108 122.820 0.163 0.000 1.930 83 A HA -0.109 4.211 4.320 0.001 0.000 0.217 83 A C 2.262 179.884 177.584 0.063 0.000 1.175 83 A CA 1.475 53.570 52.037 0.097 0.000 0.627 83 A CB -1.553 17.487 19.000 0.066 0.000 0.815 83 A HN 0.036 nan 8.150 nan 0.000 0.443 84 V N -1.324 118.640 119.914 0.084 0.000 2.548 84 V HA -0.185 3.935 4.120 0.001 0.000 0.249 84 V C 2.213 178.378 176.094 0.119 0.000 1.055 84 V CA 1.813 64.146 62.300 0.055 0.000 1.065 84 V CB -0.906 30.955 31.823 0.062 0.000 0.681 84 V HN 0.642 nan 8.190 nan 0.000 0.462 85 F N 0.451 120.377 119.950 -0.040 0.000 2.134 85 F HA -0.142 4.386 4.527 0.001 0.000 0.299 85 F C 1.970 177.729 175.800 -0.069 0.000 1.097 85 F CA 1.710 59.652 58.000 -0.097 0.000 1.264 85 F CB -0.050 38.523 39.000 -0.712 0.000 1.001 85 F HN 0.031 nan 8.300 nan 0.000 0.479 86 L N 0.383 121.662 121.223 0.092 0.000 2.131 86 L HA -0.105 4.236 4.340 0.001 0.000 0.206 86 L C 2.551 179.317 176.870 -0.173 0.000 1.087 86 L CA 1.343 56.162 54.840 -0.034 0.000 0.767 86 L CB -0.696 41.395 42.059 0.054 0.000 0.917 86 L HN 0.142 nan 8.230 nan 0.000 0.441 87 R N -0.715 119.691 120.500 -0.156 0.000 2.189 87 R HA -0.057 4.284 4.340 0.001 0.000 0.218 87 R C 0.375 176.488 176.300 -0.311 0.000 1.074 87 R CA 1.186 57.159 56.100 -0.211 0.000 0.991 87 R CB -0.255 29.936 30.300 -0.182 0.000 0.883 87 R HN 0.187 nan 8.270 nan 0.000 0.457 88 D N 0.329 120.460 120.400 -0.449 0.000 2.462 88 D HA 0.099 4.739 4.640 0.001 0.000 0.221 88 D C 1.290 176.939 176.300 -1.086 0.000 1.173 88 D CA -0.194 53.367 54.000 -0.731 0.000 0.831 88 D CB 0.424 40.589 40.800 -1.058 0.000 1.001 88 D HN 0.113 nan 8.370 nan 0.000 0.499 89 L N 0.005 120.817 121.223 -0.686 0.000 2.013 89 L HA -0.220 4.121 4.340 0.001 0.000 0.212 89 L C 1.528 178.223 176.870 -0.292 0.000 1.073 89 L CA 1.366 55.901 54.840 -0.510 0.000 0.753 89 L CB -0.112 41.714 42.059 -0.389 0.000 0.890 89 L HN 0.043 nan 8.230 nan 0.000 0.432 90 F N -1.238 118.368 119.950 -0.574 0.000 2.558 90 F HA -0.072 4.456 4.527 0.001 0.000 0.298 90 F C 2.006 177.237 175.800 -0.949 0.000 1.119 90 F CA 0.379 57.840 58.000 -0.898 0.000 1.451 90 F CB -0.949 37.151 39.000 -1.500 0.000 1.091 90 F HN 0.043 nan 8.300 nan 0.000 0.563 91 F N -1.743 117.897 119.950 -0.517 0.000 2.698 91 F HA 0.108 4.635 4.527 0.001 0.000 0.295 91 F C 0.808 176.381 175.800 -0.378 0.000 1.124 91 F CA -0.378 57.419 58.000 -0.339 0.000 1.426 91 F CB -0.664 38.124 39.000 -0.354 0.000 1.120 91 F HN -0.338 nan 8.300 nan 0.000 0.583 92 F N 0.072 119.811 119.950 -0.351 0.000 2.444 92 F HA 0.404 4.931 4.527 0.000 0.000 0.331 92 F C 0.713 176.276 175.800 -0.396 0.000 1.167 92 F CA -0.913 56.716 58.000 -0.618 0.000 1.262 92 F CB 0.476 38.559 39.000 -1.528 0.000 1.196 92 F HN -0.382 nan 8.300 nan 0.000 0.583 93 S N 2.100 117.939 115.700 0.231 0.000 2.603 93 S HA 0.409 4.879 4.470 0.001 0.000 0.274 93 S C -1.393 173.625 174.600 0.697 0.000 1.168 93 S CA -0.751 57.723 58.200 0.457 0.000 0.963 93 S CB 0.659 64.054 63.200 0.325 0.000 1.078 93 S HN 0.653 nan 8.310 nan 0.000 0.477 94 L N 4.748 126.386 121.223 0.692 0.000 2.302 94 L HA 0.468 4.809 4.340 0.001 0.000 0.285 94 L C -0.164 176.936 176.870 0.383 0.000 1.090 94 L CA -0.331 54.741 54.840 0.386 0.000 0.866 94 L CB 0.357 42.631 42.059 0.358 0.000 1.244 94 L HN 0.679 nan 8.230 nan 0.000 0.435 95 E N 5.474 125.784 120.200 0.184 0.000 2.343 95 E HA 0.333 4.684 4.350 0.001 0.000 0.269 95 E C -2.222 174.258 176.600 -0.201 0.000 1.047 95 E CA -1.827 54.597 56.400 0.040 0.000 0.874 95 E CB 0.953 30.693 29.700 0.067 0.000 1.033 95 E HN 0.388 nan 8.360 nan 0.000 0.409 96 P HA 0.124 nan 4.420 nan 0.000 0.272 96 P C -2.488 174.579 177.300 -0.389 0.000 1.254 96 P CA -1.093 61.357 63.100 -1.083 0.000 0.795 96 P CB -0.498 30.440 31.700 -1.269 0.000 1.022 97 P HA 0.047 nan 4.420 nan 0.000 0.266 97 P C -0.317 177.027 177.300 0.074 0.000 1.195 97 P CA 0.499 63.581 63.100 -0.030 0.000 0.768 97 P CB 0.033 31.789 31.700 0.093 0.000 0.838 98 A N 6.219 129.170 122.820 0.218 0.000 2.475 98 A HA 0.134 4.454 4.320 0.001 0.000 0.239 98 A C -1.193 176.467 177.584 0.126 0.000 1.087 98 A CA -0.512 51.627 52.037 0.170 0.000 0.779 98 A CB -1.146 17.975 19.000 0.201 0.000 1.036 98 A HN 0.445 nan 8.150 nan 0.000 0.506 99 P HA -0.122 nan 4.420 nan 0.000 0.218 99 P C 0.684 177.947 177.300 -0.061 0.000 1.148 99 P CA 1.548 64.635 63.100 -0.022 0.000 0.822 99 P CB 0.100 31.775 31.700 -0.042 0.000 0.784 100 E N -2.118 118.012 120.200 -0.117 0.000 2.338 100 E HA -0.156 4.194 4.350 0.001 0.000 0.197 100 E C 1.085 177.486 176.600 -0.330 0.000 1.007 100 E CA 0.883 57.139 56.400 -0.239 0.000 0.849 100 E CB -0.744 28.757 29.700 -0.330 0.000 0.774 100 E HN 0.437 nan 8.360 nan 0.000 0.506 101 Y N 0.106 120.389 120.300 -0.028 0.000 2.546 101 Y HA 0.141 4.691 4.550 0.000 0.000 0.287 101 Y C 1.769 177.625 175.900 -0.073 0.000 1.158 101 Y CA 0.469 58.557 58.100 -0.021 0.000 1.307 101 Y CB -0.267 38.210 38.460 0.028 0.000 1.036 101 Y HN 0.092 nan 8.280 nan 0.000 0.532 102 G N 0.865 109.645 108.800 -0.034 0.000 2.611 102 G HA2 -0.347 3.613 3.960 0.001 0.000 0.301 102 G HA3 -0.347 3.613 3.960 0.001 0.000 0.301 102 G C 0.350 175.022 174.900 -0.380 0.000 1.233 102 G CA 0.430 45.427 45.100 -0.170 0.000 0.993 102 G HN 0.252 nan 8.290 nan 0.000 0.553 103 L N 1.939 122.856 121.223 -0.511 0.000 2.912 103 L HA 0.420 4.761 4.340 0.001 0.000 0.240 103 L C 1.300 177.824 176.870 -0.576 0.000 1.262 103 L CA 0.410 54.677 54.840 -0.955 0.000 1.058 103 L CB -0.099 41.460 42.059 -0.834 0.000 1.383 103 L HN 0.648 nan 8.230 nan 0.000 0.512 104 S N -1.545 114.002 115.700 -0.255 0.000 2.578 104 S HA 0.425 4.896 4.470 0.001 0.000 0.283 104 S C 0.312 174.840 174.600 -0.120 0.000 1.195 104 S CA -0.545 57.547 58.200 -0.180 0.000 1.050 104 S CB 1.029 64.252 63.200 0.038 0.000 1.012 104 S HN 0.175 nan 8.310 nan 0.000 0.511 105 F N 0.717 120.806 119.950 0.232 0.000 2.727 105 F HA 0.392 4.919 4.527 0.000 0.000 0.302 105 F C 1.990 177.822 175.800 0.053 0.000 1.097 105 F CA -0.062 58.018 58.000 0.133 0.000 1.330 105 F CB -0.326 38.724 39.000 0.083 0.000 1.084 105 F HN 0.759 nan 8.300 nan 0.000 0.578 106 A N 0.793 123.733 122.820 0.199 0.000 2.416 106 A HA 0.579 4.899 4.320 0.001 0.000 0.252 106 A C 1.024 178.624 177.584 0.026 0.000 1.353 106 A CA 0.034 52.147 52.037 0.125 0.000 0.996 106 A CB -1.387 17.700 19.000 0.145 0.000 0.961 106 A HN 0.125 nan 8.150 nan 0.000 0.523 107 A N 1.072 123.822 122.820 -0.116 0.000 2.409 107 A HA 0.568 4.888 4.320 0.001 0.000 0.262 107 A C -2.409 175.018 177.584 -0.261 0.000 1.113 107 A CA -1.248 50.498 52.037 -0.484 0.000 0.790 107 A CB -0.172 18.546 19.000 -0.471 0.000 1.046 107 A HN 0.315 nan 8.150 nan 0.000 0.496 108 P HA 0.070 nan 4.420 nan 0.000 0.268 108 P C 1.024 178.261 177.300 -0.105 0.000 1.205 108 P CA -0.265 62.775 63.100 -0.099 0.000 0.771 108 P CB 0.463 32.142 31.700 -0.035 0.000 0.858 109 L N 2.078 123.267 121.223 -0.056 0.000 2.051 109 L HA -0.233 4.107 4.340 0.001 0.000 0.214 109 L C 1.709 178.520 176.870 -0.099 0.000 1.076 109 L CA 1.857 56.660 54.840 -0.062 0.000 0.758 109 L CB -0.626 41.420 42.059 -0.022 0.000 0.890 109 L HN 0.493 nan 8.230 nan 0.000 0.433 110 K N -0.155 120.229 120.400 -0.026 0.000 2.444 110 K HA 0.026 4.347 4.320 0.001 0.000 0.193 110 K C 0.511 177.108 176.600 -0.005 0.000 1.024 110 K CA 0.313 56.624 56.287 0.039 0.000 1.077 110 K CB 0.267 32.909 32.500 0.236 0.000 0.833 110 K HN 0.383 nan 8.250 nan 0.000 0.517 111 E N -0.080 120.078 120.200 -0.070 0.000 2.789 111 E HA 0.126 4.476 4.350 0.001 0.000 0.208 111 E C 0.338 176.839 176.600 -0.165 0.000 0.988 111 E CA -0.205 56.154 56.400 -0.069 0.000 1.092 111 E CB 1.142 30.820 29.700 -0.038 0.000 1.066 111 E HN 0.388 nan 8.360 nan 0.000 0.465 112 G N 0.078 108.771 108.800 -0.178 0.000 2.205 112 G HA2 -0.217 3.743 3.960 0.001 0.000 0.180 112 G HA3 -0.217 3.743 3.960 0.001 0.000 0.180 112 G C 0.952 175.818 174.900 -0.056 0.000 1.004 112 G CA -0.195 44.834 45.100 -0.118 0.000 0.670 112 G HN 0.434 nan 8.290 nan 0.000 0.496 113 G N 0.565 109.299 108.800 -0.111 0.000 2.394 113 G HA2 0.193 4.154 3.960 0.001 0.000 0.215 113 G HA3 0.193 4.154 3.960 0.001 0.000 0.215 113 G C 1.653 176.526 174.900 -0.045 0.000 1.165 113 G CA 1.399 46.459 45.100 -0.065 0.000 0.784 113 G HN 0.475 nan 8.290 nan 0.000 0.535 114 L N -0.690 120.476 121.223 -0.096 0.000 2.141 114 L HA 0.122 4.462 4.340 0.001 0.000 0.209 114 L C 2.285 179.128 176.870 -0.044 0.000 1.094 114 L CA 0.916 55.700 54.840 -0.094 0.000 0.763 114 L CB -0.606 41.336 42.059 -0.195 0.000 0.908 114 L HN 0.520 nan 8.230 nan 0.000 0.437 115 W N -0.205 121.003 121.300 -0.153 0.000 2.355 115 W HA -0.210 4.450 4.660 0.000 0.000 0.309 115 W C 2.218 178.742 176.519 0.009 0.000 1.206 115 W CA 1.531 58.869 57.345 -0.011 0.000 1.284 115 W CB -0.164 29.255 29.460 -0.067 0.000 1.145 115 W HN 0.044 nan 8.180 nan 0.000 0.502 116 L N 0.226 121.516 121.223 0.110 0.000 2.083 116 L HA -0.239 4.101 4.340 0.001 0.000 0.209 116 L C 2.380 179.155 176.870 -0.158 0.000 1.083 116 L CA 1.364 56.152 54.840 -0.087 0.000 0.752 116 L CB -0.751 41.315 42.059 0.011 0.000 0.899 116 L HN 0.059 nan 8.230 nan 0.000 0.433 117 I N -0.388 120.106 120.570 -0.126 0.000 2.163 117 I HA -0.270 3.900 4.170 0.001 0.000 0.240 117 I C 2.805 178.842 176.117 -0.133 0.000 1.081 117 I CA 1.164 62.355 61.300 -0.181 0.000 1.353 117 I CB -0.502 37.442 38.000 -0.095 0.000 1.054 117 I HN 0.184 nan 8.210 nan 0.000 0.407 118 A N 0.085 122.889 122.820 -0.027 0.000 1.908 118 A HA -0.227 4.093 4.320 0.001 0.000 0.218 118 A C 2.473 180.062 177.584 0.009 0.000 1.181 118 A CA 2.379 54.467 52.037 0.084 0.000 0.627 118 A CB -0.788 18.111 19.000 -0.167 0.000 0.818 118 A HN 0.403 nan 8.150 nan 0.000 0.445 119 S N -1.385 114.183 115.700 -0.220 0.000 2.383 119 S HA -0.094 4.376 4.470 0.001 0.000 0.227 119 S C 1.620 176.289 174.600 0.116 0.000 1.026 119 S CA 1.315 59.415 58.200 -0.167 0.000 0.981 119 S CB -0.475 62.332 63.200 -0.654 0.000 0.818 119 S HN 0.672 nan 8.310 nan 0.000 0.472 120 F N 1.710 121.586 119.950 -0.125 0.000 2.102 120 F HA -0.077 4.450 4.527 0.001 0.000 0.298 120 F C 1.623 177.435 175.800 0.020 0.000 1.105 120 F CA 1.272 59.202 58.000 -0.117 0.000 1.239 120 F CB -0.398 38.392 39.000 -0.351 0.000 0.991 120 F HN 0.105 nan 8.300 nan 0.000 0.474 121 F N 0.206 120.200 119.950 0.073 0.000 2.216 121 F HA -0.170 4.358 4.527 0.000 0.000 0.300 121 F C 2.508 178.240 175.800 -0.114 0.000 1.085 121 F CA 1.557 59.540 58.000 -0.028 0.000 1.326 121 F CB -1.098 37.980 39.000 0.129 0.000 1.027 121 F HN 0.120 nan 8.300 nan 0.000 0.497 122 M N -1.259 118.315 119.600 -0.043 0.000 2.156 122 M HA -0.168 4.312 4.480 0.001 0.000 0.264 122 M C 2.239 178.537 176.300 -0.004 0.000 1.067 122 M CA 1.504 56.575 55.300 -0.382 0.000 1.131 122 M CB -0.466 31.659 32.600 -0.791 0.000 1.368 122 M HN 0.103 nan 8.290 nan 0.000 0.416 123 F N 0.319 120.339 119.950 0.117 0.000 2.065 123 F HA -0.245 4.282 4.527 0.000 0.000 0.298 123 F C 1.811 177.698 175.800 0.145 0.000 1.112 123 F CA 2.160 60.292 58.000 0.220 0.000 1.212 123 F CB -0.528 38.453 39.000 -0.031 0.000 0.975 123 F HN -0.040 nan 8.300 nan 0.000 0.476 124 V N 0.487 120.514 119.914 0.188 0.000 2.295 124 V HA -0.312 3.808 4.120 0.001 0.000 0.246 124 V C 2.724 178.868 176.094 0.083 0.000 1.049 124 V CA 1.826 64.183 62.300 0.095 0.000 1.024 124 V CB -1.686 30.093 31.823 -0.073 0.000 0.648 124 V HN 0.501 nan 8.190 nan 0.000 0.447 125 A N -0.227 122.610 122.820 0.028 0.000 1.902 125 A HA -0.154 4.166 4.320 0.001 0.000 0.217 125 A C 2.390 179.972 177.584 -0.004 0.000 1.181 125 A CA 2.182 54.231 52.037 0.020 0.000 0.623 125 A CB -0.664 18.303 19.000 -0.055 0.000 0.818 125 A HN 0.342 nan 8.150 nan 0.000 0.443 126 V N -2.468 117.322 119.914 -0.206 0.000 2.323 126 V HA -0.250 3.870 4.120 0.001 0.000 0.244 126 V C 2.244 178.205 176.094 -0.220 0.000 1.041 126 V CA 1.663 63.751 62.300 -0.353 0.000 1.025 126 V CB -1.009 30.218 31.823 -0.993 0.000 0.656 126 V HN 0.788 nan 8.190 nan 0.000 0.451 127 W N 0.935 122.137 121.300 -0.163 0.000 2.388 127 W HA -0.182 4.478 4.660 0.000 0.000 0.294 127 W C 2.953 179.539 176.519 0.112 0.000 1.212 127 W CA 1.575 58.856 57.345 -0.108 0.000 1.271 127 W CB -0.379 28.876 29.460 -0.342 0.000 1.126 127 W HN 0.359 nan 8.180 nan 0.000 0.535 128 S N -0.986 114.904 115.700 0.318 0.000 2.383 128 S HA -0.251 4.220 4.470 0.001 0.000 0.227 128 S C 1.672 176.444 174.600 0.287 0.000 1.026 128 S CA 0.929 59.292 58.200 0.272 0.000 0.981 128 S CB -1.314 62.015 63.200 0.216 0.000 0.818 128 S HN 0.484 nan 8.310 nan 0.000 0.472 129 W N 0.887 122.276 121.300 0.148 0.000 2.374 129 W HA -0.083 4.577 4.660 0.000 0.000 0.288 129 W C 1.871 178.566 176.519 0.294 0.000 1.218 129 W CA 0.956 58.403 57.345 0.170 0.000 1.245 129 W CB -0.424 29.129 29.460 0.155 0.000 1.126 129 W HN 0.518 nan 8.180 nan 0.000 0.545 130 W N 1.472 122.980 121.300 0.347 0.000 2.381 130 W HA -0.054 4.606 4.660 0.000 0.000 0.301 130 W C 2.453 179.071 176.519 0.166 0.000 1.205 130 W CA 3.122 60.612 57.345 0.242 0.000 1.285 130 W CB -0.850 28.516 29.460 -0.156 0.000 1.133 130 W HN -0.133 nan 8.180 nan 0.000 0.521 131 G N 0.486 109.418 108.800 0.220 0.000 2.422 131 G HA2 -0.325 3.635 3.960 0.001 0.000 0.218 131 G HA3 -0.325 3.635 3.960 0.001 0.000 0.218 131 G C 1.590 176.382 174.900 -0.180 0.000 1.146 131 G CA 1.062 46.145 45.100 -0.027 0.000 0.769 131 G HN 0.357 nan 8.290 nan 0.000 0.547 132 R N -0.336 120.052 120.500 -0.186 0.000 2.096 132 R HA -0.050 4.290 4.340 0.001 0.000 0.235 132 R C 2.390 178.446 176.300 -0.406 0.000 1.127 132 R CA 1.820 57.729 56.100 -0.318 0.000 0.968 132 R CB -0.611 29.400 30.300 -0.481 0.000 0.861 132 R HN 0.249 nan 8.270 nan 0.000 0.440 133 T N -0.007 114.293 114.554 -0.424 0.000 2.821 133 T HA -0.164 4.187 4.350 0.001 0.000 0.267 133 T C 1.190 175.640 174.700 -0.417 0.000 1.046 133 T CA 1.356 63.226 62.100 -0.384 0.000 1.139 133 T CB -0.311 68.445 68.868 -0.186 0.000 0.871 133 T HN 0.393 nan 8.240 nan 0.000 0.454 134 Y N 1.251 121.154 120.300 -0.662 0.000 2.133 134 Y HA 0.024 4.574 4.550 0.000 0.000 0.287 134 Y C 2.001 177.645 175.900 -0.426 0.000 1.134 134 Y CA 1.224 58.945 58.100 -0.632 0.000 1.133 134 Y CB -0.331 37.672 38.460 -0.762 0.000 0.987 134 Y HN 0.110 nan 8.280 nan 0.000 0.502 135 L N -0.250 120.898 121.223 -0.124 0.000 2.083 135 L HA -0.218 4.122 4.340 0.001 0.000 0.209 135 L C 2.520 179.229 176.870 -0.269 0.000 1.083 135 L CA 1.034 55.794 54.840 -0.134 0.000 0.752 135 L CB -0.485 41.514 42.059 -0.101 0.000 0.899 135 L HN 0.143 nan 8.230 nan 0.000 0.433 136 R N 0.117 120.416 120.500 -0.335 0.000 2.152 136 R HA -0.098 4.242 4.340 0.001 0.000 0.232 136 R C 2.174 178.280 176.300 -0.323 0.000 1.117 136 R CA 1.347 57.223 56.100 -0.373 0.000 0.981 136 R CB -0.738 29.338 30.300 -0.372 0.000 0.870 136 R HN 0.368 nan 8.270 nan 0.000 0.451 137 A N 0.566 123.180 122.820 -0.344 0.000 1.930 137 A HA -0.126 4.195 4.320 0.001 0.000 0.215 137 A C 2.131 179.517 177.584 -0.330 0.000 1.176 137 A CA 0.861 52.694 52.037 -0.340 0.000 0.632 137 A CB -0.319 18.425 19.000 -0.425 0.000 0.819 137 A HN 0.303 nan 8.150 nan 0.000 0.445 138 Q N -0.582 119.002 119.800 -0.361 0.000 2.167 138 Q HA -0.066 4.275 4.340 0.001 0.000 0.202 138 Q C 1.975 177.862 176.000 -0.187 0.000 0.970 138 Q CA 1.221 56.861 55.803 -0.272 0.000 0.855 138 Q CB -0.226 28.389 28.738 -0.205 0.000 0.911 138 Q HN 0.614 nan 8.270 nan 0.000 0.438 139 A N -0.173 122.526 122.820 -0.202 0.000 2.123 139 A HA 0.052 4.372 4.320 0.001 0.000 0.214 139 A C 1.526 179.013 177.584 -0.161 0.000 1.152 139 A CA 0.390 52.322 52.037 -0.175 0.000 0.728 139 A CB 0.062 18.925 19.000 -0.228 0.000 0.814 139 A HN 0.383 nan 8.150 nan 0.000 0.464 140 L N -1.348 119.769 121.223 -0.176 0.000 2.667 140 L HA 0.270 4.610 4.340 0.001 0.000 0.232 140 L C 1.558 178.353 176.870 -0.126 0.000 1.138 140 L CA 0.507 55.261 54.840 -0.143 0.000 0.921 140 L CB 0.226 42.193 42.059 -0.154 0.000 1.180 140 L HN 0.500 nan 8.230 nan 0.000 0.487 141 G N 0.222 108.941 108.800 -0.134 0.000 2.168 141 G HA2 -0.326 3.634 3.960 0.001 0.000 0.263 141 G HA3 -0.326 3.634 3.960 0.001 0.000 0.263 141 G C 0.347 175.171 174.900 -0.126 0.000 0.977 141 G CA 0.302 45.332 45.100 -0.117 0.000 0.659 141 G HN 0.279 nan 8.290 nan 0.000 0.533 142 M N 0.502 120.008 119.600 -0.157 0.000 2.163 142 M HA 0.503 4.984 4.480 0.001 0.000 0.305 142 M C 1.458 177.654 176.300 -0.174 0.000 1.166 142 M CA 0.299 55.508 55.300 -0.151 0.000 1.132 142 M CB 0.431 32.932 32.600 -0.164 0.000 1.413 142 M HN 0.222 nan 8.290 nan 0.000 0.478 143 G N 0.472 109.211 108.800 -0.101 0.000 2.594 143 G HA2 0.136 4.096 3.960 0.001 0.000 0.243 143 G HA3 0.136 4.096 3.960 0.001 0.000 0.243 143 G C 0.288 175.061 174.900 -0.211 0.000 1.229 143 G CA -0.606 44.461 45.100 -0.055 0.000 0.843 143 G HN 0.629 nan 8.290 nan 0.000 0.578 144 K N 0.197 120.323 120.400 -0.457 0.000 2.476 144 K HA 0.060 4.380 4.320 0.001 0.000 0.196 144 K C 1.563 177.689 176.600 -0.790 0.000 1.025 144 K CA -0.069 55.730 56.287 -0.814 0.000 1.138 144 K CB -0.216 31.561 32.500 -1.205 0.000 0.860 144 K HN 0.646 nan 8.250 nan 0.000 0.515 145 H N 0.368 119.186 119.070 -0.419 0.000 2.390 145 H HA -0.097 4.460 4.556 0.000 0.000 0.298 145 H C 1.259 176.493 175.328 -0.156 0.000 1.106 145 H CA 1.705 57.625 56.048 -0.213 0.000 1.297 145 H CB 0.069 29.753 29.762 -0.129 0.000 1.375 145 H HN 0.131 nan 8.280 nan 0.000 0.509 146 T N 0.735 115.247 114.554 -0.070 0.000 2.777 146 T HA -0.058 4.292 4.350 0.001 0.000 0.266 146 T C 2.362 177.082 174.700 0.032 0.000 1.040 146 T CA 1.001 63.075 62.100 -0.042 0.000 1.141 146 T CB -0.303 68.501 68.868 -0.108 0.000 0.868 146 T HN 0.457 nan 8.240 nan 0.000 0.444 147 A N 0.513 123.258 122.820 -0.125 0.000 1.902 147 A HA -0.071 4.249 4.320 0.001 0.000 0.217 147 A C 2.155 180.048 177.584 0.515 0.000 1.181 147 A CA 1.119 53.143 52.037 -0.022 0.000 0.623 147 A CB -1.107 17.605 19.000 -0.479 0.000 0.818 147 A HN 0.740 nan 8.150 nan 0.000 0.443 148 W N -0.587 120.855 121.300 0.237 0.000 2.388 148 W HA -0.026 4.635 4.660 0.001 0.000 0.294 148 W C 2.701 179.286 176.519 0.110 0.000 1.212 148 W CA 0.402 57.852 57.345 0.175 0.000 1.271 148 W CB 0.036 29.503 29.460 0.012 0.000 1.126 148 W HN 0.432 nan 8.180 nan 0.000 0.535 149 A N -0.068 122.937 122.820 0.308 0.000 1.929 149 A HA -0.198 4.123 4.320 0.001 0.000 0.216 149 A C 1.677 179.429 177.584 0.281 0.000 1.176 149 A CA 1.009 53.148 52.037 0.170 0.000 0.628 149 A CB -1.067 17.980 19.000 0.079 0.000 0.816 149 A HN 0.327 nan 8.150 nan 0.000 0.444 150 F N 0.735 120.803 119.950 0.196 0.000 2.293 150 F HA -0.013 4.514 4.527 0.000 0.000 0.300 150 F C 1.708 177.640 175.800 0.219 0.000 1.086 150 F CA 0.551 58.680 58.000 0.214 0.000 1.375 150 F CB -0.542 38.628 39.000 0.283 0.000 1.045 150 F HN 0.134 nan 8.300 nan 0.000 0.516 151 L N -1.074 120.310 121.223 0.268 0.000 2.131 151 L HA -0.218 4.122 4.340 0.001 0.000 0.210 151 L C 2.642 179.563 176.870 0.085 0.000 1.092 151 L CA 1.228 56.075 54.840 0.012 0.000 0.759 151 L CB -0.884 41.221 42.059 0.077 0.000 0.903 151 L HN 0.045 nan 8.230 nan 0.000 0.435 152 S N -0.353 115.432 115.700 0.141 0.000 2.359 152 S HA -0.204 4.266 4.470 0.001 0.000 0.224 152 S C 2.112 176.850 174.600 0.230 0.000 1.035 152 S CA 1.400 59.699 58.200 0.164 0.000 1.018 152 S CB -0.122 63.141 63.200 0.105 0.000 0.876 152 S HN 0.522 nan 8.310 nan 0.000 0.448 153 A N 0.735 123.679 122.820 0.206 0.000 1.969 153 A HA 0.049 4.370 4.320 0.001 0.000 0.218 153 A C 1.991 179.680 177.584 0.175 0.000 1.169 153 A CA 0.959 53.119 52.037 0.205 0.000 0.635 153 A CB -0.531 18.625 19.000 0.261 0.000 0.810 153 A HN 0.552 nan 8.150 nan 0.000 0.445 154 I N -1.668 118.939 120.570 0.063 0.000 2.439 154 I HA -0.229 3.942 4.170 0.001 0.000 0.251 154 I C 2.427 178.687 176.117 0.239 0.000 1.139 154 I CA 0.851 62.176 61.300 0.041 0.000 1.438 154 I CB -0.286 37.402 38.000 -0.520 0.000 1.085 154 I HN 0.739 nan 8.210 nan 0.000 0.427 155 W N 1.713 123.034 121.300 0.035 0.000 2.338 155 W HA -0.245 4.415 4.660 0.001 0.000 0.304 155 W C 2.211 178.774 176.519 0.074 0.000 1.212 155 W CA 1.266 58.640 57.345 0.048 0.000 1.264 155 W CB -0.104 29.372 29.460 0.026 0.000 1.142 155 W HN 0.119 nan 8.180 nan 0.000 0.512 156 L N 0.377 121.581 121.223 -0.031 0.000 2.027 156 L HA -0.209 4.131 4.340 0.001 0.000 0.206 156 L C 2.404 179.237 176.870 -0.061 0.000 1.074 156 L CA 2.580 57.337 54.840 -0.138 0.000 0.745 156 L CB -1.444 40.635 42.059 0.032 0.000 0.898 156 L HN 0.216 nan 8.230 nan 0.000 0.433 157 W N 0.595 121.844 121.300 -0.085 0.000 2.363 157 W HA -0.255 4.405 4.660 0.000 0.000 0.296 157 W C 2.380 178.927 176.519 0.046 0.000 1.212 157 W CA 1.302 58.623 57.345 -0.040 0.000 1.260 157 W CB -0.200 29.235 29.460 -0.041 0.000 1.131 157 W HN 0.061 nan 8.180 nan 0.000 0.530 158 M N 0.155 119.574 119.600 -0.301 0.000 2.099 158 M HA -0.161 4.319 4.480 0.001 0.000 0.262 158 M C 1.987 178.170 176.300 -0.196 0.000 1.067 158 M CA 1.468 56.584 55.300 -0.306 0.000 1.124 158 M CB -1.603 30.964 32.600 -0.054 0.000 1.353 158 M HN -0.032 nan 8.290 nan 0.000 0.410 159 V N 0.730 120.426 119.914 -0.364 0.000 2.255 159 V HA -0.291 3.829 4.120 0.001 0.000 0.247 159 V C 2.556 178.527 176.094 -0.205 0.000 1.051 159 V CA 1.645 63.713 62.300 -0.387 0.000 1.018 159 V CB -0.797 30.624 31.823 -0.670 0.000 0.641 159 V HN 0.399 nan 8.190 nan 0.000 0.445 160 L N 0.186 121.280 121.223 -0.214 0.000 2.012 160 L HA -0.127 4.214 4.340 0.001 0.000 0.210 160 L C 2.343 179.099 176.870 -0.191 0.000 1.073 160 L CA 1.964 56.706 54.840 -0.162 0.000 0.748 160 L CB -0.789 41.149 42.059 -0.201 0.000 0.891 160 L HN 0.508 nan 8.230 nan 0.000 0.431 161 G N -2.689 105.907 108.800 -0.339 0.000 2.833 161 G HA2 0.084 4.045 3.960 0.001 0.000 0.210 161 G HA3 0.084 4.045 3.960 0.001 0.000 0.210 161 G C 0.859 175.342 174.900 -0.695 0.000 1.139 161 G CA -0.030 44.770 45.100 -0.501 0.000 0.771 161 G HN 0.222 nan 8.290 nan 0.000 0.535 162 F N -0.510 119.428 119.950 -0.019 0.000 2.017 162 F HA 0.371 4.898 4.527 0.000 0.000 0.245 162 F C 2.203 178.067 175.800 0.106 0.000 1.060 162 F CA -0.288 57.789 58.000 0.129 0.000 1.231 162 F CB -0.180 38.856 39.000 0.060 0.000 1.527 162 F HN -0.101 nan 8.300 nan 0.000 0.636 163 I N 0.603 121.303 120.570 0.217 0.000 2.226 163 I HA -0.248 3.922 4.170 0.001 0.000 0.245 163 I C 2.593 178.746 176.117 0.059 0.000 1.100 163 I CA 1.504 62.874 61.300 0.115 0.000 1.374 163 I CB -0.358 37.667 38.000 0.042 0.000 1.057 163 I HN 0.138 nan 8.210 nan 0.000 0.413 164 R N 0.914 121.429 120.500 0.025 0.000 2.062 164 R HA -0.093 4.247 4.340 0.001 0.000 0.229 164 R C -0.379 175.956 176.300 0.058 0.000 1.128 164 R CA 1.346 57.471 56.100 0.041 0.000 0.960 164 R CB -1.100 29.236 30.300 0.060 0.000 0.855 164 R HN 0.174 nan 8.270 nan 0.000 0.432 165 P HA -0.169 nan 4.420 nan 0.000 0.216 165 P C 1.127 178.365 177.300 -0.104 0.000 1.150 165 P CA 1.416 64.540 63.100 0.041 0.000 0.843 165 P CB -0.023 31.782 31.700 0.174 0.000 0.787 166 I N -1.596 118.929 120.570 -0.075 0.000 2.252 166 I HA -0.197 3.973 4.170 0.001 0.000 0.245 166 I C 2.152 178.210 176.117 -0.099 0.000 1.102 166 I CA 1.216 62.425 61.300 -0.152 0.000 1.385 166 I CB -0.477 37.509 38.000 -0.023 0.000 1.064 166 I HN -0.098 nan 8.210 nan 0.000 0.414 167 L N -0.653 120.549 121.223 -0.035 0.000 2.201 167 L HA -0.196 4.145 4.340 0.001 0.000 0.212 167 L C 2.398 179.242 176.870 -0.043 0.000 1.105 167 L CA 0.953 55.778 54.840 -0.026 0.000 0.775 167 L CB -0.307 41.755 42.059 0.006 0.000 0.913 167 L HN 0.290 nan 8.230 nan 0.000 0.440 168 M N -0.706 118.864 119.600 -0.050 0.000 2.492 168 M HA 0.058 4.538 4.480 0.001 0.000 0.262 168 M C 1.482 177.721 176.300 -0.101 0.000 1.090 168 M CA 1.106 56.371 55.300 -0.057 0.000 1.110 168 M CB -0.084 32.498 32.600 -0.029 0.000 1.407 168 M HN 0.283 nan 8.290 nan 0.000 0.470 169 G N -0.923 107.785 108.800 -0.153 0.000 2.199 169 G HA2 -0.231 3.729 3.960 0.001 0.000 0.254 169 G HA3 -0.231 3.729 3.960 0.001 0.000 0.254 169 G C 0.428 175.166 174.900 -0.270 0.000 0.982 169 G CA 0.344 45.325 45.100 -0.198 0.000 0.632 169 G HN 0.618 nan 8.290 nan 0.000 0.529 170 S N -1.721 113.820 115.700 -0.264 0.000 2.548 170 S HA 0.531 5.002 4.470 0.001 0.000 0.276 170 S C 0.611 175.083 174.600 -0.214 0.000 1.129 170 S CA 0.006 58.051 58.200 -0.259 0.000 0.931 170 S CB 0.701 63.824 63.200 -0.129 0.000 1.068 170 S HN 0.323 nan 8.310 nan 0.000 0.480 171 W N 2.357 123.589 121.300 -0.114 0.000 2.425 171 W HA -0.083 4.577 4.660 0.000 0.000 0.277 171 W C 2.601 178.929 176.519 -0.318 0.000 1.231 171 W CA 0.702 57.928 57.345 -0.199 0.000 1.248 171 W CB -0.054 29.275 29.460 -0.218 0.000 1.117 171 W HN 0.893 nan 8.180 nan 0.000 0.568 172 S N 0.237 115.936 115.700 -0.002 0.000 2.420 172 S HA -0.249 4.222 4.470 0.001 0.000 0.237 172 S C 1.471 176.073 174.600 0.003 0.000 1.023 172 S CA 1.456 59.622 58.200 -0.056 0.000 0.991 172 S CB -0.381 62.809 63.200 -0.017 0.000 0.792 172 S HN 0.246 nan 8.310 nan 0.000 0.488 173 E N 1.923 122.156 120.200 0.055 0.000 2.268 173 E HA 0.241 4.591 4.350 0.001 0.000 0.195 173 E C 1.231 178.031 176.600 0.332 0.000 0.995 173 E CA 0.713 57.221 56.400 0.179 0.000 0.836 173 E CB -0.650 29.129 29.700 0.131 0.000 0.763 173 E HN 0.759 nan 8.360 nan 0.000 0.491 174 A N 0.989 123.878 122.820 0.114 0.000 2.310 174 A HA 0.266 4.587 4.320 0.001 0.000 0.260 174 A C 0.420 177.896 177.584 -0.181 0.000 1.112 174 A CA -0.431 51.607 52.037 0.002 0.000 0.804 174 A CB 0.483 19.446 19.000 -0.062 0.000 1.081 174 A HN -0.042 nan 8.150 nan 0.000 0.499 175 V N 2.215 121.802 119.914 -0.545 0.000 2.649 175 V HA 0.297 4.417 4.120 0.001 0.000 0.292 175 V C -1.802 174.059 176.094 -0.389 0.000 1.055 175 V CA -1.152 60.565 62.300 -0.973 0.000 1.023 175 V CB 0.809 32.037 31.823 -0.992 0.000 0.992 175 V HN 0.865 nan 8.190 nan 0.000 0.480 176 P HA 0.146 nan 4.420 nan 0.000 0.274 176 P C -1.384 175.885 177.300 -0.052 0.000 1.246 176 P CA -0.283 62.812 63.100 -0.008 0.000 0.795 176 P CB 0.468 32.234 31.700 0.110 0.000 1.006 177 Y N 0.371 120.883 120.300 0.353 0.000 2.594 177 Y HA 0.579 5.130 4.550 0.000 0.000 0.342 177 Y C 1.260 177.350 175.900 0.316 0.000 1.010 177 Y CA 0.465 58.711 58.100 0.244 0.000 1.270 177 Y CB 0.425 38.975 38.460 0.151 0.000 1.125 177 Y HN 0.576 nan 8.280 nan 0.000 0.513 178 G N 2.073 111.088 108.800 0.358 0.000 2.596 178 G HA2 0.274 4.234 3.960 0.001 0.000 0.296 178 G HA3 0.274 4.234 3.960 0.001 0.000 0.296 178 G C -0.115 174.895 174.900 0.184 0.000 1.513 178 G CA -0.804 44.506 45.100 0.350 0.000 0.851 178 G HN 0.226 nan 8.290 nan 0.000 0.548 179 I N 1.011 121.605 120.570 0.040 0.000 2.090 179 I HA -0.021 4.149 4.170 0.001 0.000 0.236 179 I C 2.547 178.757 176.117 0.155 0.000 1.064 179 I CA 1.399 62.641 61.300 -0.097 0.000 1.324 179 I CB -1.052 36.547 38.000 -0.668 0.000 1.044 179 I HN 0.464 nan 8.210 nan 0.000 0.399 180 F N 1.804 121.702 119.950 -0.087 0.000 2.186 180 F HA -0.128 4.399 4.527 0.000 0.000 0.299 180 F C 3.005 178.810 175.800 0.009 0.000 1.090 180 F CA 1.151 59.090 58.000 -0.101 0.000 1.307 180 F CB -1.583 37.262 39.000 -0.258 0.000 1.019 180 F HN 0.199 nan 8.300 nan 0.000 0.489 181 S N -0.035 115.827 115.700 0.271 0.000 2.382 181 S HA -0.239 4.231 4.470 0.001 0.000 0.228 181 S C 2.102 176.871 174.600 0.281 0.000 1.027 181 S CA 1.490 59.838 58.200 0.246 0.000 0.991 181 S CB -1.179 62.165 63.200 0.241 0.000 0.823 181 S HN 0.641 nan 8.310 nan 0.000 0.469 182 H N 2.095 121.258 119.070 0.154 0.000 2.462 182 H HA 0.168 4.724 4.556 0.000 0.000 0.292 182 H C 1.943 177.393 175.328 0.205 0.000 1.049 182 H CA 1.107 57.235 56.048 0.134 0.000 1.334 182 H CB -0.670 29.118 29.762 0.042 0.000 1.404 182 H HN 0.436 nan 8.280 nan 0.000 0.544 183 L N 0.825 121.944 121.223 -0.174 0.000 2.017 183 L HA -0.160 4.180 4.340 0.001 0.000 0.208 183 L C 2.436 179.316 176.870 0.017 0.000 1.073 183 L CA 1.498 56.243 54.840 -0.158 0.000 0.745 183 L CB -0.454 41.559 42.059 -0.077 0.000 0.894 183 L HN 0.151 nan 8.230 nan 0.000 0.432 184 D N -0.622 119.825 120.400 0.078 0.000 2.133 184 D HA -0.259 4.381 4.640 0.001 0.000 0.195 184 D C 1.750 178.138 176.300 0.146 0.000 0.997 184 D CA 1.348 55.402 54.000 0.089 0.000 0.840 184 D CB -0.270 40.594 40.800 0.107 0.000 0.947 184 D HN 0.448 nan 8.370 nan 0.000 0.452 185 W N 1.503 122.820 121.300 0.028 0.000 2.358 185 W HA -0.211 4.449 4.660 0.000 0.000 0.303 185 W C 2.266 178.827 176.519 0.069 0.000 1.208 185 W CA 2.052 59.434 57.345 0.061 0.000 1.274 185 W CB -0.332 29.174 29.460 0.077 0.000 1.138 185 W HN -0.159 nan 8.180 nan 0.000 0.515 186 T N 0.281 115.078 114.554 0.404 0.000 2.777 186 T HA -0.266 4.085 4.350 0.001 0.000 0.266 186 T C 1.395 176.123 174.700 0.046 0.000 1.040 186 T CA 1.763 64.010 62.100 0.246 0.000 1.141 186 T CB -0.600 68.355 68.868 0.145 0.000 0.868 186 T HN 0.293 nan 8.240 nan 0.000 0.444 187 N N 1.529 120.240 118.700 0.019 0.000 2.106 187 N HA -0.093 4.648 4.740 0.001 0.000 0.188 187 N C 1.659 177.145 175.510 -0.040 0.000 1.029 187 N CA 1.570 54.606 53.050 -0.024 0.000 0.848 187 N CB -0.461 38.011 38.487 -0.026 0.000 1.007 187 N HN 0.317 nan 8.380 nan 0.000 0.423 188 N N -1.229 117.438 118.700 -0.055 0.000 2.309 188 N HA -0.115 4.626 4.740 0.001 0.000 0.182 188 N C 1.379 176.795 175.510 -0.155 0.000 1.018 188 N CA 0.636 53.624 53.050 -0.104 0.000 0.876 188 N CB -0.323 38.101 38.487 -0.106 0.000 0.972 188 N HN 0.293 nan 8.380 nan 0.000 0.434 189 F N 0.198 119.915 119.950 -0.389 0.000 2.171 189 F HA -0.036 4.491 4.527 0.000 0.000 0.300 189 F C 2.534 178.277 175.800 -0.094 0.000 1.090 189 F CA 1.033 58.805 58.000 -0.381 0.000 1.293 189 F CB -0.593 38.016 39.000 -0.651 0.000 1.013 189 F HN 0.006 nan 8.300 nan 0.000 0.486 190 S N -0.138 115.641 115.700 0.131 0.000 2.371 190 S HA -0.094 4.377 4.470 0.001 0.000 0.224 190 S C 1.969 176.580 174.600 0.018 0.000 1.029 190 S CA 0.958 59.202 58.200 0.073 0.000 0.978 190 S CB -0.396 62.769 63.200 -0.059 0.000 0.833 190 S HN 0.225 nan 8.310 nan 0.000 0.466 191 L N 1.912 123.110 121.223 -0.040 0.000 1.989 191 L HA -0.051 4.289 4.340 0.001 0.000 0.211 191 L C 2.618 179.420 176.870 -0.113 0.000 1.071 191 L CA 1.895 56.698 54.840 -0.062 0.000 0.749 191 L CB -1.591 40.423 42.059 -0.075 0.000 0.890 191 L HN 0.454 nan 8.230 nan 0.000 0.431 192 V N -3.755 116.026 119.914 -0.223 0.000 3.380 192 V HA -0.094 4.026 4.120 0.001 0.000 0.268 192 V C 1.631 177.420 176.094 -0.509 0.000 1.168 192 V CA 1.116 63.196 62.300 -0.368 0.000 1.156 192 V CB -0.871 30.660 31.823 -0.486 0.000 0.785 192 V HN 0.504 nan 8.190 nan 0.000 0.487 193 H N 1.026 119.983 119.070 -0.188 0.000 2.505 193 H HA 0.409 4.965 4.556 0.001 0.000 0.286 193 H C 1.635 177.014 175.328 0.085 0.000 1.072 193 H CA 0.375 56.361 56.048 -0.104 0.000 1.141 193 H CB 0.469 30.161 29.762 -0.116 0.000 1.550 193 H HN 0.627 nan 8.280 nan 0.000 0.547 194 G N 2.533 111.415 108.800 0.137 0.000 2.353 194 G HA2 -0.313 3.648 3.960 0.001 0.000 0.294 194 G HA3 -0.313 3.648 3.960 0.001 0.000 0.294 194 G C -0.256 174.854 174.900 0.350 0.000 1.077 194 G CA 0.388 45.604 45.100 0.194 0.000 1.098 194 G HN 0.598 nan 8.290 nan 0.000 0.511 195 N N -2.139 116.732 118.700 0.284 0.000 3.541 195 N HA -0.170 4.570 4.740 0.001 0.000 0.292 195 N C 0.906 176.602 175.510 0.311 0.000 1.964 195 N CA 0.813 54.036 53.050 0.289 0.000 2.344 195 N CB -0.539 38.224 38.487 0.460 0.000 0.672 195 N HN 0.805 nan 8.380 nan 0.000 0.620 196 L N 4.572 125.808 121.223 0.022 0.000 2.551 196 L HA 0.172 4.512 4.340 0.001 0.000 0.228 196 L C 1.659 178.429 176.870 -0.168 0.000 1.153 196 L CA 1.064 55.800 54.840 -0.172 0.000 0.851 196 L CB -0.378 41.419 42.059 -0.436 0.000 0.959 196 L HN 0.607 nan 8.230 nan 0.000 0.451 197 F N -1.554 118.365 119.950 -0.052 0.000 2.365 197 F HA -0.150 4.377 4.527 0.000 0.000 0.300 197 F C 1.598 177.333 175.800 -0.108 0.000 1.090 197 F CA 0.837 58.810 58.000 -0.046 0.000 1.408 197 F CB -0.793 38.098 39.000 -0.181 0.000 1.060 197 F HN 0.142 nan 8.300 nan 0.000 0.534 198 Y N -1.296 119.194 120.300 0.317 0.000 2.490 198 Y HA 0.069 4.619 4.550 0.000 0.000 0.281 198 Y C 0.983 176.984 175.900 0.170 0.000 1.174 198 Y CA -0.375 57.909 58.100 0.306 0.000 1.295 198 Y CB -0.640 38.080 38.460 0.434 0.000 1.062 198 Y HN -0.161 nan 8.280 nan 0.000 0.522 199 N N 2.699 121.342 118.700 -0.095 0.000 2.411 199 N HA 0.040 4.780 4.740 0.001 0.000 0.259 199 N C -1.690 173.617 175.510 -0.338 0.000 1.103 199 N CA -2.016 50.542 53.050 -0.821 0.000 0.954 199 N CB 1.267 38.973 38.487 -1.302 0.000 1.085 199 N HN 0.021 nan 8.380 nan 0.000 0.485 200 P HA -0.151 nan 4.420 nan 0.000 0.216 200 P C 1.119 178.267 177.300 -0.253 0.000 1.150 200 P CA 1.335 64.325 63.100 -0.183 0.000 0.837 200 P CB 0.023 31.622 31.700 -0.167 0.000 0.786 201 F N -0.852 118.997 119.950 -0.168 0.000 2.259 201 F HA -0.097 4.431 4.527 0.001 0.000 0.298 201 F C 2.888 178.662 175.800 -0.042 0.000 1.088 201 F CA 1.069 59.029 58.000 -0.067 0.000 1.358 201 F CB -1.300 37.660 39.000 -0.066 0.000 1.040 201 F HN 0.097 nan 8.300 nan 0.000 0.505 202 H N -0.155 118.889 119.070 -0.044 0.000 2.357 202 H HA -0.079 4.478 4.556 0.000 0.000 0.301 202 H C 2.394 177.713 175.328 -0.015 0.000 1.082 202 H CA 1.339 57.363 56.048 -0.040 0.000 1.342 202 H CB -0.359 29.343 29.762 -0.101 0.000 1.389 202 H HN 0.330 nan 8.280 nan 0.000 0.511 203 G N 1.253 110.038 108.800 -0.025 0.000 2.418 203 G HA2 -0.238 3.722 3.960 0.001 0.000 0.217 203 G HA3 -0.238 3.722 3.960 0.001 0.000 0.217 203 G C 1.744 176.547 174.900 -0.162 0.000 1.158 203 G CA 0.667 45.710 45.100 -0.095 0.000 0.771 203 G HN 0.346 nan 8.290 nan 0.000 0.545 204 L N 0.897 122.050 121.223 -0.117 0.000 2.093 204 L HA 0.071 4.411 4.340 0.001 0.000 0.208 204 L C 2.967 179.797 176.870 -0.066 0.000 1.085 204 L CA 2.091 56.846 54.840 -0.141 0.000 0.755 204 L CB -0.577 41.457 42.059 -0.042 0.000 0.904 204 L HN 0.263 nan 8.230 nan 0.000 0.435 205 S N -1.017 114.714 115.700 0.052 0.000 2.387 205 S HA -0.079 4.391 4.470 0.001 0.000 0.226 205 S C 2.021 176.583 174.600 -0.062 0.000 1.026 205 S CA 1.043 59.316 58.200 0.122 0.000 0.972 205 S CB -0.270 62.984 63.200 0.091 0.000 0.814 205 S HN 0.449 nan 8.310 nan 0.000 0.477 206 I N 1.463 121.863 120.570 -0.284 0.000 2.439 206 I HA -0.084 4.086 4.170 0.001 0.000 0.251 206 I C 2.707 178.489 176.117 -0.558 0.000 1.139 206 I CA 0.914 61.900 61.300 -0.523 0.000 1.438 206 I CB -0.431 37.201 38.000 -0.613 0.000 1.085 206 I HN 0.356 nan 8.210 nan 0.000 0.427 207 A N 0.800 123.399 122.820 -0.368 0.000 1.898 207 A HA -0.174 4.146 4.320 0.001 0.000 0.216 207 A C 1.962 179.412 177.584 -0.224 0.000 1.181 207 A CA 1.524 53.369 52.037 -0.319 0.000 0.620 207 A CB -0.746 17.984 19.000 -0.450 0.000 0.819 207 A HN 0.331 nan 8.150 nan 0.000 0.442 208 F N -1.005 118.941 119.950 -0.007 0.000 2.367 208 F HA 0.037 4.564 4.527 0.000 0.000 0.298 208 F C 1.905 177.736 175.800 0.051 0.000 1.094 208 F CA 0.665 58.699 58.000 0.055 0.000 1.409 208 F CB -0.483 38.567 39.000 0.084 0.000 1.064 208 F HN 0.239 nan 8.300 nan 0.000 0.528 209 L N -1.011 120.293 121.223 0.134 0.000 2.056 209 L HA -0.184 4.156 4.340 0.001 0.000 0.207 209 L C 2.125 179.125 176.870 0.218 0.000 1.078 209 L CA 1.887 56.800 54.840 0.122 0.000 0.749 209 L CB -0.995 41.072 42.059 0.012 0.000 0.901 209 L HN 0.036 nan 8.230 nan 0.000 0.433 210 Y N 0.021 120.375 120.300 0.089 0.000 2.242 210 Y HA 0.033 4.584 4.550 0.000 0.000 0.291 210 Y C 2.566 178.516 175.900 0.083 0.000 1.137 210 Y CA 0.681 58.822 58.100 0.069 0.000 1.181 210 Y CB -1.550 36.930 38.460 0.033 0.000 0.989 210 Y HN 0.245 nan 8.280 nan 0.000 0.527 211 G N -1.356 107.600 108.800 0.260 0.000 2.443 211 G HA2 -0.179 3.781 3.960 0.001 0.000 0.219 211 G HA3 -0.179 3.781 3.960 0.001 0.000 0.219 211 G C 1.911 176.930 174.900 0.198 0.000 1.131 211 G CA 1.097 46.321 45.100 0.206 0.000 0.775 211 G HN 0.364 nan 8.290 nan 0.000 0.547 212 S N 0.818 116.648 115.700 0.217 0.000 2.371 212 S HA 0.078 4.549 4.470 0.001 0.000 0.224 212 S C 2.725 177.446 174.600 0.202 0.000 1.029 212 S CA 0.979 59.290 58.200 0.185 0.000 0.978 212 S CB -0.208 63.100 63.200 0.179 0.000 0.833 212 S HN 0.534 nan 8.310 nan 0.000 0.466 213 A N 1.058 124.004 122.820 0.210 0.000 2.014 213 A HA 0.082 4.402 4.320 0.001 0.000 0.218 213 A C 2.049 179.729 177.584 0.159 0.000 1.163 213 A CA 0.865 53.020 52.037 0.197 0.000 0.652 213 A CB -0.473 18.631 19.000 0.174 0.000 0.808 213 A HN 0.428 nan 8.150 nan 0.000 0.449 214 L N -0.950 120.355 121.223 0.138 0.000 2.005 214 L HA -0.030 4.311 4.340 0.001 0.000 0.207 214 L C 2.147 179.061 176.870 0.074 0.000 1.072 214 L CA 1.894 56.789 54.840 0.093 0.000 0.744 214 L CB -0.517 41.586 42.059 0.074 0.000 0.895 214 L HN 0.266 nan 8.230 nan 0.000 0.433 215 L N -1.484 119.780 121.223 0.069 0.000 2.109 215 L HA -0.106 4.234 4.340 0.001 0.000 0.207 215 L C 2.185 179.138 176.870 0.137 0.000 1.086 215 L CA 1.561 56.411 54.840 0.017 0.000 0.760 215 L CB -0.831 41.222 42.059 -0.009 0.000 0.910 215 L HN 0.311 nan 8.230 nan 0.000 0.437 216 F N -0.101 119.879 119.950 0.050 0.000 2.367 216 F HA 0.096 4.623 4.527 0.001 0.000 0.298 216 F C 2.319 178.159 175.800 0.067 0.000 1.094 216 F CA 0.550 58.598 58.000 0.079 0.000 1.409 216 F CB -0.780 38.272 39.000 0.086 0.000 1.064 216 F HN 0.168 nan 8.300 nan 0.000 0.528 217 A N -0.345 122.613 122.820 0.229 0.000 1.968 217 A HA -0.145 4.175 4.320 0.001 0.000 0.217 217 A C 2.286 179.940 177.584 0.117 0.000 1.169 217 A CA 1.333 53.438 52.037 0.114 0.000 0.638 217 A CB -0.527 18.527 19.000 0.090 0.000 0.812 217 A HN 0.357 nan 8.150 nan 0.000 0.446 218 M N -1.973 117.701 119.600 0.123 0.000 2.064 218 M HA -0.107 4.374 4.480 0.001 0.000 0.260 218 M C 2.282 178.666 176.300 0.140 0.000 1.073 218 M CA 1.993 57.367 55.300 0.122 0.000 1.124 218 M CB -0.466 32.044 32.600 -0.151 0.000 1.326 218 M HN 0.661 nan 8.290 nan 0.000 0.410 219 H N -0.109 118.975 119.070 0.022 0.000 2.423 219 H HA -0.009 4.547 4.556 0.001 0.000 0.297 219 H C 1.873 177.264 175.328 0.105 0.000 1.075 219 H CA 1.864 57.937 56.048 0.041 0.000 1.342 219 H CB -0.352 29.416 29.762 0.009 0.000 1.395 219 H HN 0.336 nan 8.280 nan 0.000 0.530 220 G N -0.122 108.729 108.800 0.086 0.000 2.404 220 G HA2 -0.225 3.735 3.960 0.001 0.000 0.215 220 G HA3 -0.225 3.735 3.960 0.001 0.000 0.215 220 G C 1.922 176.755 174.900 -0.112 0.000 1.174 220 G CA 0.803 45.865 45.100 -0.063 0.000 0.780 220 G HN 0.567 nan 8.290 nan 0.000 0.537 221 A N 0.265 123.051 122.820 -0.057 0.000 1.902 221 A HA -0.017 4.303 4.320 0.001 0.000 0.217 221 A C 2.528 180.046 177.584 -0.111 0.000 1.181 221 A CA 2.492 54.481 52.037 -0.080 0.000 0.623 221 A CB -0.961 18.019 19.000 -0.034 0.000 0.818 221 A HN 0.303 nan 8.150 nan 0.000 0.443 222 T N 0.373 114.891 114.554 -0.061 0.000 2.708 222 T HA -0.091 4.259 4.350 0.001 0.000 0.266 222 T C 1.781 176.423 174.700 -0.097 0.000 1.037 222 T CA 1.412 63.476 62.100 -0.060 0.000 1.146 222 T CB -0.251 68.694 68.868 0.128 0.000 0.865 222 T HN 0.285 nan 8.240 nan 0.000 0.435 223 I N 1.197 121.669 120.570 -0.163 0.000 2.315 223 I HA -0.025 4.145 4.170 0.001 0.000 0.248 223 I C 2.234 178.277 176.117 -0.123 0.000 1.117 223 I CA 1.147 62.359 61.300 -0.146 0.000 1.404 223 I CB -1.158 36.704 38.000 -0.230 0.000 1.071 223 I HN 0.285 nan 8.210 nan 0.000 0.419 224 L N 0.299 121.432 121.223 -0.151 0.000 2.217 224 L HA -0.086 4.254 4.340 0.001 0.000 0.211 224 L C 2.633 179.409 176.870 -0.157 0.000 1.107 224 L CA 0.945 55.688 54.840 -0.162 0.000 0.783 224 L CB -0.696 41.250 42.059 -0.188 0.000 0.919 224 L HN 0.149 nan 8.230 nan 0.000 0.442 225 A N 0.238 122.971 122.820 -0.145 0.000 2.014 225 A HA -0.054 4.266 4.320 0.001 0.000 0.218 225 A C 1.852 179.393 177.584 -0.071 0.000 1.163 225 A CA 1.397 53.352 52.037 -0.137 0.000 0.652 225 A CB -0.336 18.550 19.000 -0.189 0.000 0.808 225 A HN 0.313 nan 8.150 nan 0.000 0.449 226 V N -1.665 118.244 119.914 -0.009 0.000 3.271 226 V HA 0.138 4.258 4.120 0.001 0.000 0.327 226 V C 1.508 177.627 176.094 0.041 0.000 1.389 226 V CA 0.795 63.189 62.300 0.157 0.000 1.156 226 V CB -0.766 31.213 31.823 0.260 0.000 1.103 226 V HN 0.519 nan 8.190 nan 0.000 0.453 227 S N 2.152 117.797 115.700 -0.091 0.000 2.447 227 S HA -0.198 4.272 4.470 0.001 0.000 0.233 227 S C 1.920 176.428 174.600 -0.154 0.000 1.006 227 S CA 1.067 59.209 58.200 -0.095 0.000 0.957 227 S CB -0.665 62.468 63.200 -0.110 0.000 0.773 227 S HN 0.858 nan 8.310 nan 0.000 0.507 228 R N 0.122 120.417 120.500 -0.343 0.000 2.357 228 R HA 0.073 4.413 4.340 0.001 0.000 0.202 228 R C 0.005 175.929 176.300 -0.626 0.000 1.047 228 R CA 0.861 56.649 56.100 -0.519 0.000 1.034 228 R CB -0.625 29.240 30.300 -0.725 0.000 0.875 228 R HN 0.549 nan 8.270 nan 0.000 0.473 229 F N -0.103 119.844 119.950 -0.005 0.000 2.791 229 F HA 0.445 4.972 4.527 0.001 0.000 0.316 229 F C 0.994 176.792 175.800 -0.002 0.000 1.134 229 F CA -0.655 57.344 58.000 -0.002 0.000 1.222 229 F CB 1.024 40.021 39.000 -0.005 0.000 1.034 229 F HN 0.145 nan 8.300 nan 0.000 0.516 230 G N 0.800 109.653 108.800 0.088 0.000 2.246 230 G HA2 -0.257 3.703 3.960 0.001 0.000 0.273 230 G HA3 -0.257 3.703 3.960 0.001 0.000 0.273 230 G C 1.355 176.296 174.900 0.069 0.000 1.055 230 G CA 0.279 45.416 45.100 0.062 0.000 0.851 230 G HN 0.733 nan 8.290 nan 0.000 0.500 231 G N 0.595 109.440 108.800 0.076 0.000 2.443 231 G HA2 -0.019 3.941 3.960 0.001 0.000 0.219 231 G HA3 -0.019 3.941 3.960 0.001 0.000 0.219 231 G C 1.454 176.379 174.900 0.042 0.000 1.131 231 G CA 1.327 46.470 45.100 0.072 0.000 0.775 231 G HN 0.841 nan 8.290 nan 0.000 0.547 232 E N 0.918 121.126 120.200 0.013 0.000 2.418 232 E HA -0.083 4.267 4.350 0.001 0.000 0.197 232 E C 1.112 177.725 176.600 0.022 0.000 1.026 232 E CA 0.119 56.524 56.400 0.007 0.000 0.862 232 E CB -0.211 29.474 29.700 -0.024 0.000 0.799 232 E HN 0.289 nan 8.360 nan 0.000 0.518 233 R N 1.487 122.002 120.500 0.025 0.000 4.556 233 R HA 0.109 4.450 4.340 0.001 0.000 0.197 233 R C 0.794 177.115 176.300 0.034 0.000 1.791 233 R CA -0.032 56.081 56.100 0.022 0.000 1.526 233 R CB 0.036 30.349 30.300 0.021 0.000 1.410 233 R HN 0.275 nan 8.270 nan 0.000 0.826 234 E N 0.384 120.611 120.200 0.045 0.000 2.204 234 E HA -0.177 4.173 4.350 0.001 0.000 0.194 234 E C 1.325 177.946 176.600 0.035 0.000 0.989 234 E CA 0.871 57.315 56.400 0.074 0.000 0.824 234 E CB 0.121 29.898 29.700 0.129 0.000 0.756 234 E HN 0.472 nan 8.360 nan 0.000 0.477 235 L N 0.955 122.175 121.223 -0.005 0.000 2.056 235 L HA -0.144 4.197 4.340 0.001 0.000 0.207 235 L C 2.475 179.345 176.870 -0.000 0.000 1.078 235 L CA 0.876 55.705 54.840 -0.018 0.000 0.749 235 L CB -0.206 41.830 42.059 -0.039 0.000 0.901 235 L HN 0.080 nan 8.230 nan 0.000 0.433 236 E N -0.205 119.999 120.200 0.007 0.000 2.208 236 E HA -0.163 4.188 4.350 0.001 0.000 0.193 236 E C 2.224 178.837 176.600 0.022 0.000 0.988 236 E CA 0.670 57.077 56.400 0.012 0.000 0.828 236 E CB 0.080 29.787 29.700 0.013 0.000 0.763 236 E HN 0.450 nan 8.360 nan 0.000 0.478 237 Q N 0.175 119.995 119.800 0.033 0.000 2.124 237 Q HA -0.083 4.257 4.340 0.001 0.000 0.202 237 Q C 2.365 178.390 176.000 0.043 0.000 0.977 237 Q CA 0.723 56.552 55.803 0.043 0.000 0.850 237 Q CB -0.166 28.609 28.738 0.062 0.000 0.901 237 Q HN 0.400 nan 8.270 nan 0.000 0.429 238 I N 0.409 121.005 120.570 0.042 0.000 2.163 238 I HA -0.231 3.939 4.170 0.001 0.000 0.240 238 I C 2.263 178.397 176.117 0.028 0.000 1.081 238 I CA 1.151 62.475 61.300 0.041 0.000 1.353 238 I CB -0.417 37.603 38.000 0.034 0.000 1.054 238 I HN 0.042 nan 8.210 nan 0.000 0.407 239 A N -0.715 122.116 122.820 0.018 0.000 2.067 239 A HA -0.165 4.155 4.320 0.001 0.000 0.219 239 A C 0.609 178.202 177.584 0.014 0.000 1.158 239 A CA 1.512 53.556 52.037 0.013 0.000 0.661 239 A CB -0.213 18.790 19.000 0.006 0.000 0.801 239 A HN 0.495 nan 8.150 nan 0.000 0.452 240 D N -1.674 118.736 120.400 0.017 0.000 2.362 240 D HA 0.137 4.778 4.640 0.001 0.000 0.232 240 D C -0.419 175.891 176.300 0.017 0.000 1.329 240 D CA -0.396 53.613 54.000 0.015 0.000 0.944 240 D CB 0.176 40.983 40.800 0.012 0.000 1.471 240 D HN 0.272 nan 8.370 nan 0.000 0.533 241 R N 1.789 122.300 120.500 0.018 0.000 2.538 241 R HA 0.473 4.813 4.340 0.001 0.000 0.282 241 R C 0.324 176.627 176.300 0.006 0.000 1.009 241 R CA 0.391 56.500 56.100 0.016 0.000 1.063 241 R CB 0.397 30.706 30.300 0.015 0.000 0.945 241 R HN 0.372 nan 8.270 nan 0.000 0.414 242 G N 0.509 109.312 108.800 0.005 0.000 2.820 242 G HA2 0.104 4.065 3.960 0.001 0.000 0.291 242 G HA3 0.104 4.065 3.960 0.001 0.000 0.291 242 G C 0.305 175.175 174.900 -0.050 0.000 1.323 242 G CA -0.356 44.739 45.100 -0.008 0.000 1.055 242 G HN 0.596 nan 8.290 nan 0.000 0.520 243 T N -0.598 113.895 114.554 -0.103 0.000 3.035 243 T HA 0.059 4.409 4.350 0.001 0.000 0.268 243 T C 2.484 177.000 174.700 -0.307 0.000 1.109 243 T CA 1.988 63.944 62.100 -0.239 0.000 1.119 243 T CB -0.497 68.154 68.868 -0.362 0.000 0.900 243 T HN 0.622 nan 8.240 nan 0.000 0.503 244 A N 1.254 124.000 122.820 -0.124 0.000 1.865 244 A HA 0.167 4.487 4.320 0.001 0.000 0.217 244 A C 2.731 180.324 177.584 0.015 0.000 1.191 244 A CA 1.999 54.062 52.037 0.042 0.000 0.623 244 A CB -1.406 17.692 19.000 0.164 0.000 0.826 244 A HN 0.624 nan 8.150 nan 0.000 0.444 245 A N -0.518 122.312 122.820 0.015 0.000 1.933 245 A HA -0.170 4.150 4.320 0.001 0.000 0.218 245 A C 1.953 179.533 177.584 -0.006 0.000 1.175 245 A CA 1.672 53.725 52.037 0.027 0.000 0.628 245 A CB -0.499 18.522 19.000 0.036 0.000 0.814 245 A HN 0.660 nan 8.150 nan 0.000 0.444 246 E N -0.537 119.629 120.200 -0.057 0.000 2.046 246 E HA -0.140 4.210 4.350 0.001 0.000 0.190 246 E C 2.237 178.758 176.600 -0.131 0.000 0.982 246 E CA 0.968 57.316 56.400 -0.087 0.000 0.800 246 E CB -0.158 29.477 29.700 -0.108 0.000 0.756 246 E HN 0.550 nan 8.360 nan 0.000 0.449 247 R N 0.332 120.730 120.500 -0.171 0.000 2.235 247 R HA 0.037 4.378 4.340 0.001 0.000 0.213 247 R C 2.142 178.394 176.300 -0.079 0.000 1.059 247 R CA 0.668 56.657 56.100 -0.184 0.000 0.997 247 R CB -0.023 30.135 30.300 -0.237 0.000 0.884 247 R HN 0.069 nan 8.270 nan 0.000 0.462 248 A N 1.397 124.213 122.820 -0.008 0.000 1.855 248 A HA 0.011 4.331 4.320 0.001 0.000 0.213 248 A C 2.374 180.048 177.584 0.150 0.000 1.195 248 A CA 1.273 53.363 52.037 0.089 0.000 0.610 248 A CB -0.655 18.408 19.000 0.106 0.000 0.837 248 A HN 0.314 nan 8.150 nan 0.000 0.444 249 A N -0.097 122.769 122.820 0.076 0.000 1.908 249 A HA -0.098 4.222 4.320 0.001 0.000 0.218 249 A C 2.101 179.672 177.584 -0.021 0.000 1.181 249 A CA 1.613 53.691 52.037 0.069 0.000 0.627 249 A CB -0.704 18.314 19.000 0.029 0.000 0.818 249 A HN 0.468 nan 8.150 nan 0.000 0.445 250 L N -1.931 119.174 121.223 -0.197 0.000 2.362 250 L HA -0.106 4.234 4.340 0.001 0.000 0.219 250 L C 2.366 178.832 176.870 -0.673 0.000 1.134 250 L CA 0.935 55.455 54.840 -0.534 0.000 0.807 250 L CB -0.502 41.091 42.059 -0.776 0.000 0.927 250 L HN 0.550 nan 8.230 nan 0.000 0.447 251 F N 0.128 119.797 119.950 -0.468 0.000 2.084 251 F HA -0.213 4.314 4.527 0.001 0.000 0.296 251 F C 2.019 177.551 175.800 -0.447 0.000 1.111 251 F CA 1.637 59.351 58.000 -0.478 0.000 1.224 251 F CB -0.345 38.335 39.000 -0.532 0.000 0.991 251 F HN -0.050 nan 8.300 nan 0.000 0.471 252 W N 0.594 121.901 121.300 0.011 0.000 2.436 252 W HA -0.010 4.650 4.660 0.000 0.000 0.284 252 W C 2.729 179.154 176.519 -0.157 0.000 1.225 252 W CA 1.126 58.421 57.345 -0.083 0.000 1.271 252 W CB -0.424 28.987 29.460 -0.081 0.000 1.114 252 W HN -0.066 nan 8.180 nan 0.000 0.559 253 R N -0.296 120.230 120.500 0.042 0.000 2.081 253 R HA -0.184 4.156 4.340 0.001 0.000 0.235 253 R C 1.814 178.215 176.300 0.170 0.000 1.131 253 R CA 1.975 58.124 56.100 0.082 0.000 0.960 253 R CB -0.715 29.610 30.300 0.043 0.000 0.856 253 R HN 0.104 nan 8.270 nan 0.000 0.436 254 W N 0.337 121.564 121.300 -0.122 0.000 2.467 254 W HA 0.077 4.737 4.660 -0.000 0.000 0.275 254 W C 1.973 178.359 176.519 -0.222 0.000 1.239 254 W CA 0.808 58.054 57.345 -0.166 0.000 1.266 254 W CB -0.786 28.546 29.460 -0.213 0.000 1.112 254 W HN 0.129 nan 8.180 nan 0.000 0.576 255 T N 0.415 114.894 114.554 -0.125 0.000 2.852 255 T HA -0.060 4.290 4.350 0.001 0.000 0.256 255 T C 1.681 176.379 174.700 -0.004 0.000 1.038 255 T CA 1.627 63.607 62.100 -0.200 0.000 1.141 255 T CB -0.136 68.416 68.868 -0.526 0.000 0.869 255 T HN 0.182 nan 8.240 nan 0.000 0.439 256 M N -0.927 118.724 119.600 0.084 0.000 2.300 256 M HA 0.571 5.051 4.480 0.001 0.000 0.313 256 M C 1.295 177.766 176.300 0.285 0.000 0.988 256 M CA 0.279 55.685 55.300 0.176 0.000 1.012 256 M CB 0.935 33.637 32.600 0.170 0.000 1.586 256 M HN 0.258 nan 8.290 nan 0.000 0.562 257 G N 2.207 111.144 108.800 0.228 0.000 2.179 257 G HA2 -0.344 3.616 3.960 0.001 0.000 0.260 257 G HA3 -0.344 3.616 3.960 0.001 0.000 0.260 257 G C 0.248 175.381 174.900 0.387 0.000 0.977 257 G CA 0.761 46.025 45.100 0.274 0.000 0.641 257 G HN 0.827 nan 8.290 nan 0.000 0.533 258 F N -0.307 119.711 119.950 0.113 0.000 2.897 258 F HA 0.256 4.784 4.527 0.001 0.000 0.364 258 F C 0.558 176.422 175.800 0.107 0.000 0.940 258 F CA 0.312 58.373 58.000 0.101 0.000 1.106 258 F CB -0.638 38.411 39.000 0.082 0.000 1.034 258 F HN 0.675 nan 8.300 nan 0.000 0.583 259 N N 2.280 120.916 118.700 -0.105 0.000 6.198 259 N HA -0.219 4.522 4.740 0.001 0.000 0.395 259 N C -0.446 175.105 175.510 0.067 0.000 0.954 259 N CA 1.048 54.082 53.050 -0.026 0.000 2.109 259 N CB -0.791 37.742 38.487 0.076 0.000 0.694 259 N HN 0.927 nan 8.380 nan 0.000 0.580 260 A N -0.648 122.211 122.820 0.065 0.000 2.507 260 A HA 0.790 5.111 4.320 0.001 0.000 0.284 260 A C -0.474 177.180 177.584 0.116 0.000 1.281 260 A CA -0.041 52.076 52.037 0.133 0.000 0.744 260 A CB 1.403 20.457 19.000 0.090 0.000 1.332 260 A HN 0.810 nan 8.150 nan 0.000 0.454 261 T N 0.378 115.008 114.554 0.127 0.000 2.945 261 T HA 0.362 4.712 4.350 0.001 0.000 0.286 261 T C 1.188 175.950 174.700 0.104 0.000 1.025 261 T CA -0.198 61.964 62.100 0.104 0.000 1.039 261 T CB 1.263 70.192 68.868 0.102 0.000 1.068 261 T HN 0.593 nan 8.240 nan 0.000 0.497 262 M N 1.418 121.084 119.600 0.111 0.000 2.159 262 M HA -0.017 4.463 4.480 0.001 0.000 0.263 262 M C 1.973 178.406 176.300 0.222 0.000 1.063 262 M CA 1.717 57.110 55.300 0.154 0.000 1.110 262 M CB -0.373 32.309 32.600 0.136 0.000 1.374 262 M HN 0.764 nan 8.290 nan 0.000 0.411 263 E N -1.232 119.069 120.200 0.170 0.000 2.021 263 E HA -0.080 4.270 4.350 0.001 0.000 0.189 263 E C 1.985 178.691 176.600 0.177 0.000 0.980 263 E CA 1.061 57.571 56.400 0.184 0.000 0.803 263 E CB -0.642 29.115 29.700 0.095 0.000 0.766 263 E HN 0.565 nan 8.360 nan 0.000 0.449 264 G N 1.554 110.427 108.800 0.121 0.000 2.485 264 G HA2 -0.284 3.676 3.960 0.001 0.000 0.221 264 G HA3 -0.284 3.676 3.960 0.001 0.000 0.221 264 G C 1.525 176.511 174.900 0.143 0.000 1.115 264 G CA 0.930 46.096 45.100 0.110 0.000 0.751 264 G HN 0.368 nan 8.290 nan 0.000 0.567 265 I N 0.406 121.017 120.570 0.069 0.000 2.361 265 I HA -0.078 4.092 4.170 0.001 0.000 0.251 265 I C 2.305 178.286 176.117 -0.227 0.000 1.133 265 I CA 1.115 62.383 61.300 -0.052 0.000 1.413 265 I CB -0.402 37.422 38.000 -0.295 0.000 1.073 265 I HN 0.312 nan 8.210 nan 0.000 0.424 266 H N -0.132 118.898 119.070 -0.067 0.000 2.495 266 H HA 0.046 4.603 4.556 0.000 0.000 0.287 266 H C 2.146 177.453 175.328 -0.036 0.000 1.033 266 H CA 1.043 57.024 56.048 -0.113 0.000 1.307 266 H CB -0.061 29.634 29.762 -0.110 0.000 1.401 266 H HN 0.319 nan 8.280 nan 0.000 0.555 267 R N -0.546 120.024 120.500 0.116 0.000 2.093 267 R HA -0.107 4.234 4.340 0.001 0.000 0.224 267 R C 1.506 177.929 176.300 0.205 0.000 1.101 267 R CA 1.133 57.317 56.100 0.140 0.000 0.979 267 R CB -0.378 29.976 30.300 0.089 0.000 0.877 267 R HN 0.386 nan 8.270 nan 0.000 0.441 268 W N 1.404 122.749 121.300 0.076 0.000 2.342 268 W HA -0.156 4.504 4.660 -0.000 0.000 0.297 268 W C 2.585 179.122 176.519 0.029 0.000 1.213 268 W CA 1.246 58.628 57.345 0.062 0.000 1.251 268 W CB -0.128 29.313 29.460 -0.031 0.000 1.136 268 W HN 0.192 nan 8.180 nan 0.000 0.526 269 A N -0.088 122.827 122.820 0.157 0.000 1.873 269 A HA -0.176 4.144 4.320 0.001 0.000 0.215 269 A C 1.873 179.453 177.584 -0.007 0.000 1.186 269 A CA 1.524 53.556 52.037 -0.008 0.000 0.616 269 A CB -0.983 17.902 19.000 -0.192 0.000 0.823 269 A HN 0.325 nan 8.150 nan 0.000 0.442 270 I N -1.980 118.576 120.570 -0.024 0.000 2.286 270 I HA -0.269 3.901 4.170 0.001 0.000 0.248 270 I C 2.275 178.265 176.117 -0.211 0.000 1.115 270 I CA 1.431 62.648 61.300 -0.138 0.000 1.392 270 I CB -0.091 37.800 38.000 -0.182 0.000 1.065 270 I HN 0.613 nan 8.210 nan 0.000 0.418 271 W N -0.150 121.146 121.300 -0.006 0.000 2.409 271 W HA -0.201 4.460 4.660 0.002 0.000 0.299 271 W C 2.448 178.911 176.519 -0.092 0.000 1.203 271 W CA 0.838 58.151 57.345 -0.053 0.000 1.298 271 W CB -0.319 29.102 29.460 -0.066 0.000 1.127 271 W HN 0.137 nan 8.180 nan 0.000 0.528 272 M N 0.803 120.541 119.600 0.230 0.000 2.202 272 M HA -0.121 4.359 4.480 0.001 0.000 0.262 272 M C 1.918 178.277 176.300 0.098 0.000 1.063 272 M CA 2.309 57.727 55.300 0.195 0.000 1.097 272 M CB -0.548 32.201 32.600 0.247 0.000 1.382 272 M HN -0.040 nan 8.290 nan 0.000 0.413 273 A N -1.503 121.342 122.820 0.041 0.000 1.887 273 A HA 0.045 4.366 4.320 0.001 0.000 0.212 273 A C 2.121 179.707 177.584 0.003 0.000 1.198 273 A CA 1.201 53.256 52.037 0.030 0.000 0.628 273 A CB -0.990 18.008 19.000 -0.004 0.000 0.847 273 A HN 0.304 nan 8.150 nan 0.000 0.449 274 V N 0.527 120.406 119.914 -0.058 0.000 2.332 274 V HA -0.238 3.882 4.120 0.001 0.000 0.248 274 V C 2.419 178.490 176.094 -0.038 0.000 1.055 274 V CA 1.906 64.165 62.300 -0.070 0.000 1.038 274 V CB -0.633 31.048 31.823 -0.238 0.000 0.651 274 V HN 0.571 nan 8.190 nan 0.000 0.450 275 L N -0.748 120.399 121.223 -0.127 0.000 2.456 275 L HA -0.097 4.244 4.340 0.001 0.000 0.224 275 L C 2.235 179.023 176.870 -0.138 0.000 1.148 275 L CA 0.329 54.994 54.840 -0.291 0.000 0.825 275 L CB -0.513 40.975 42.059 -0.951 0.000 0.937 275 L HN 0.216 nan 8.230 nan 0.000 0.450 276 V N 0.081 120.015 119.914 0.032 0.000 2.237 276 V HA -0.303 3.817 4.120 0.001 0.000 0.245 276 V C 2.679 178.881 176.094 0.180 0.000 1.046 276 V CA 2.625 65.033 62.300 0.180 0.000 1.007 276 V CB -0.848 31.068 31.823 0.155 0.000 0.638 276 V HN 0.673 nan 8.190 nan 0.000 0.445 277 T N -1.933 112.718 114.554 0.161 0.000 3.043 277 T HA -0.043 4.307 4.350 0.001 0.000 0.263 277 T C 1.826 176.711 174.700 0.307 0.000 1.094 277 T CA 1.001 63.219 62.100 0.197 0.000 1.127 277 T CB -0.180 68.799 68.868 0.185 0.000 0.905 277 T HN 0.209 nan 8.240 nan 0.000 0.490 278 L N 2.006 123.388 121.223 0.264 0.000 2.027 278 L HA 0.045 4.385 4.340 0.001 0.000 0.206 278 L C 2.569 179.627 176.870 0.314 0.000 1.074 278 L CA 1.947 56.953 54.840 0.275 0.000 0.745 278 L CB -1.381 40.739 42.059 0.101 0.000 0.898 278 L HN 0.220 nan 8.230 nan 0.000 0.433 279 T N -0.482 114.244 114.554 0.287 0.000 2.708 279 T HA -0.111 4.240 4.350 0.001 0.000 0.266 279 T C 1.671 176.557 174.700 0.311 0.000 1.037 279 T CA 1.344 63.675 62.100 0.385 0.000 1.146 279 T CB -0.868 68.290 68.868 0.484 0.000 0.865 279 T HN 0.597 nan 8.240 nan 0.000 0.435 280 G N 0.805 109.755 108.800 0.250 0.000 2.440 280 G HA2 -0.090 3.871 3.960 0.001 0.000 0.218 280 G HA3 -0.090 3.871 3.960 0.001 0.000 0.218 280 G C 1.723 176.660 174.900 0.061 0.000 1.154 280 G CA 1.050 46.242 45.100 0.153 0.000 0.767 280 G HN 0.569 nan 8.290 nan 0.000 0.552 281 G N 1.034 109.878 108.800 0.074 0.000 2.418 281 G HA2 -0.171 3.790 3.960 0.001 0.000 0.217 281 G HA3 -0.171 3.790 3.960 0.001 0.000 0.217 281 G C 1.782 176.639 174.900 -0.070 0.000 1.158 281 G CA 0.829 45.790 45.100 -0.233 0.000 0.771 281 G HN 0.448 nan 8.290 nan 0.000 0.545 282 I N 1.271 121.955 120.570 0.189 0.000 2.208 282 I HA -0.129 4.041 4.170 0.001 0.000 0.245 282 I C 3.037 178.980 176.117 -0.290 0.000 1.097 282 I CA 1.149 62.393 61.300 -0.093 0.000 1.363 282 I CB -0.435 37.247 38.000 -0.531 0.000 1.051 282 I HN 0.255 nan 8.210 nan 0.000 0.413 283 G N 0.779 109.430 108.800 -0.248 0.000 2.443 283 G HA2 -0.135 3.825 3.960 0.001 0.000 0.219 283 G HA3 -0.135 3.825 3.960 0.001 0.000 0.219 283 G C 1.544 176.457 174.900 0.021 0.000 1.131 283 G CA 0.305 45.354 45.100 -0.085 0.000 0.775 283 G HN 0.194 nan 8.290 nan 0.000 0.547 284 I N 0.133 120.686 120.570 -0.030 0.000 2.480 284 I HA 0.092 4.262 4.170 0.001 0.000 0.251 284 I C 2.428 178.582 176.117 0.062 0.000 1.124 284 I CA 0.316 61.614 61.300 -0.003 0.000 1.444 284 I CB -0.768 37.135 38.000 -0.162 0.000 1.098 284 I HN 0.112 nan 8.210 nan 0.000 0.428 285 L N 0.420 121.627 121.223 -0.028 0.000 2.191 285 L HA -0.134 4.206 4.340 0.001 0.000 0.212 285 L C 2.033 178.934 176.870 0.052 0.000 1.103 285 L CA 1.630 56.463 54.840 -0.011 0.000 0.769 285 L CB -0.392 41.649 42.059 -0.030 0.000 0.908 285 L HN 0.078 nan 8.230 nan 0.000 0.438 286 L N -1.446 119.829 121.223 0.086 0.000 2.375 286 L HA 0.150 4.491 4.340 0.001 0.000 0.215 286 L C 1.095 178.037 176.870 0.120 0.000 1.108 286 L CA 0.509 55.416 54.840 0.112 0.000 0.830 286 L CB -0.790 41.380 42.059 0.185 0.000 0.959 286 L HN 0.058 nan 8.230 nan 0.000 0.457 287 S N -0.057 115.770 115.700 0.212 0.000 2.481 287 S HA 0.460 4.931 4.470 0.001 0.000 0.276 287 S C 1.261 175.795 174.600 -0.110 0.000 1.247 287 S CA 0.286 58.520 58.200 0.057 0.000 1.053 287 S CB 0.636 63.892 63.200 0.093 0.000 0.925 287 S HN 0.555 nan 8.310 nan 0.000 0.491 288 G N 3.076 111.875 108.800 -0.003 0.000 2.336 288 G HA2 -0.367 3.593 3.960 0.001 0.000 0.233 288 G HA3 -0.367 3.593 3.960 0.001 0.000 0.233 288 G C 1.112 176.012 174.900 0.001 0.000 1.053 288 G CA 0.871 46.042 45.100 0.120 0.000 0.625 288 G HN 0.850 nan 8.290 nan 0.000 0.511 289 T N -2.111 112.438 114.554 -0.009 0.000 2.953 289 T HA 0.413 4.763 4.350 0.001 0.000 0.247 289 T C 2.148 176.826 174.700 -0.037 0.000 1.029 289 T CA 2.163 64.254 62.100 -0.015 0.000 1.144 289 T CB 0.062 68.934 68.868 0.007 0.000 0.870 289 T HN 0.619 nan 8.240 nan 0.000 0.446 290 V N 0.629 120.505 119.914 -0.063 0.000 2.721 290 V HA 0.336 4.457 4.120 0.001 0.000 0.236 290 V C 0.753 176.740 176.094 -0.178 0.000 1.116 290 V CA 0.032 62.282 62.300 -0.083 0.000 1.148 290 V CB 0.575 32.366 31.823 -0.054 0.000 0.886 290 V HN 0.326 nan 8.190 nan 0.000 0.490 291 V N 1.670 121.376 119.914 -0.346 0.000 2.333 291 V HA 0.265 4.385 4.120 0.001 0.000 0.274 291 V C 0.231 176.047 176.094 -0.464 0.000 1.028 291 V CA -0.070 61.870 62.300 -0.600 0.000 0.851 291 V CB 0.792 31.720 31.823 -1.493 0.000 1.000 291 V HN 0.450 nan 8.190 nan 0.000 0.456 292 D N 2.729 122.964 120.400 -0.276 0.000 2.355 292 D HA 0.041 4.682 4.640 0.001 0.000 0.218 292 D C 0.645 176.843 176.300 -0.169 0.000 1.004 292 D CA 0.668 54.564 54.000 -0.174 0.000 0.880 292 D CB 0.217 40.933 40.800 -0.140 0.000 0.911 292 D HN 0.473 nan 8.370 nan 0.000 0.528 293 N N -0.582 117.981 118.700 -0.229 0.000 2.616 293 N HA -0.002 4.738 4.740 0.001 0.000 0.281 293 N C -0.801 174.670 175.510 -0.065 0.000 1.145 293 N CA -0.451 52.550 53.050 -0.083 0.000 0.919 293 N CB 0.231 38.709 38.487 -0.015 0.000 1.509 293 N HN -0.023 nan 8.380 nan 0.000 0.537 294 W N 1.891 123.295 121.300 0.174 0.000 2.584 294 W HA -0.028 4.632 4.660 0.000 0.000 0.264 294 W C 1.746 178.423 176.519 0.263 0.000 1.264 294 W CA 0.203 57.688 57.345 0.233 0.000 1.306 294 W CB -0.090 29.512 29.460 0.236 0.000 1.110 294 W HN 0.666 nan 8.180 nan 0.000 0.606 295 Y N 0.584 120.991 120.300 0.179 0.000 2.145 295 Y HA -0.257 4.293 4.550 0.001 0.000 0.286 295 Y C 2.186 178.044 175.900 -0.071 0.000 1.145 295 Y CA 1.842 59.794 58.100 -0.247 0.000 1.148 295 Y CB -0.923 37.330 38.460 -0.346 0.000 0.981 295 Y HN -0.218 nan 8.280 nan 0.000 0.507 296 V N -0.516 119.317 119.914 -0.135 0.000 2.295 296 V HA -0.312 3.808 4.120 0.001 0.000 0.246 296 V C 2.117 178.153 176.094 -0.096 0.000 1.049 296 V CA 2.114 64.303 62.300 -0.185 0.000 1.024 296 V CB -1.046 30.755 31.823 -0.036 0.000 0.648 296 V HN 0.727 nan 8.190 nan 0.000 0.447 297 W N 1.189 122.399 121.300 -0.151 0.000 2.402 297 W HA -0.039 4.621 4.660 0.000 0.000 0.286 297 W C 2.234 178.717 176.519 -0.060 0.000 1.221 297 W CA 1.441 58.722 57.345 -0.106 0.000 1.257 297 W CB -0.476 28.908 29.460 -0.125 0.000 1.120 297 W HN 0.241 nan 8.180 nan 0.000 0.551 298 G N -0.208 108.718 108.800 0.210 0.000 2.448 298 G HA2 -0.260 3.700 3.960 0.001 0.000 0.219 298 G HA3 -0.260 3.700 3.960 0.001 0.000 0.219 298 G C 1.393 176.213 174.900 -0.134 0.000 1.127 298 G CA 0.776 45.938 45.100 0.104 0.000 0.766 298 G HN 0.271 nan 8.290 nan 0.000 0.552 299 Q N 0.295 119.930 119.800 -0.276 0.000 2.378 299 Q HA 0.002 4.342 4.340 0.001 0.000 0.205 299 Q C 0.464 176.337 176.000 -0.211 0.000 0.954 299 Q CA 0.506 56.144 55.803 -0.274 0.000 0.901 299 Q CB -0.049 28.456 28.738 -0.388 0.000 0.981 299 Q HN 0.600 nan 8.270 nan 0.000 0.483 300 N N 0.760 119.296 118.700 -0.274 0.000 3.025 300 N HA 0.146 4.886 4.740 0.001 0.000 0.315 300 N C -0.884 174.483 175.510 -0.238 0.000 1.511 300 N CA -0.048 52.851 53.050 -0.253 0.000 1.097 300 N CB 0.410 38.733 38.487 -0.272 0.000 1.395 300 N HN 0.034 nan 8.380 nan 0.000 0.511 301 H N 0.000 118.864 119.070 -0.343 0.000 2.539 301 H HA 0.000 4.557 4.556 0.001 0.000 0.296 301 H CA 0.000 55.861 56.048 -0.311 0.000 1.023 301 H CB 0.000 29.497 29.762 -0.442 0.000 1.292 301 H HN 0.000 nan 8.280 nan 0.000 0.496