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 3nnd_1_B DATA FIRST_RESID 14 DATA SEQUENCE DLKIALIYGK TGPLEAYAKQ TETGLXXGLE YATKGTXTLD GRKIVVITKD DATA SEQUENCE DQSKPDLSKA ALAEAYQDDG ADIAIGTSSS AAALADLPVA EENKKILIVE DATA SEQUENCE PAXXXXXXXX XXNRYIFRTG RNSSQDAISN AVAIGKQGVT IATLAQDYAF DATA SEQUENCE GRDGVAAFKE ALAKTGATLA TEEYVPTXXT DFTAVGQRLF DALKDKPGKX DATA SEQUENCE IIWVIWAXXX XPLTKLQDXD XKRYGIELST GGNILPALAA YXXXXGXEGA DATA SEQUENCE TYYYYDIPKN PINEWLVTEH QKRFNAPPDF FTAGGFSAAX AVVTAVQKAK DATA SEQUENCE STDTEKLIAA XEGXEFDTPK GKXVFRKEDH QALQSXYHFK VKVDPAVAWA DATA SEQUENCE VL 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 14 D HA 0.000 nan 4.640 nan 0.000 0.175 14 D C 0.000 176.297 176.300 -0.004 0.000 2.045 14 D CA 0.000 53.998 54.000 -0.003 0.000 0.868 14 D CB 0.000 40.798 40.800 -0.003 0.000 0.688 15 L N 1.008 122.226 121.223 -0.007 0.000 2.415 15 L HA 0.498 4.740 4.340 -0.163 0.000 0.268 15 L C -1.307 175.557 176.870 -0.011 0.000 0.984 15 L CA -0.452 54.382 54.840 -0.010 0.000 0.853 15 L CB 0.652 42.702 42.059 -0.016 0.000 1.215 15 L HN 0.245 nan 8.230 nan 0.000 0.419 16 K N 6.326 126.724 120.400 -0.004 0.000 2.235 16 K HA 0.630 4.852 4.320 -0.163 0.000 0.266 16 K C -1.076 175.519 176.600 -0.009 0.000 0.980 16 K CA -0.384 55.899 56.287 -0.007 0.000 0.849 16 K CB 2.318 34.818 32.500 0.000 0.000 1.098 16 K HN 0.485 nan 8.250 nan 0.000 0.445 17 I N 2.124 122.677 120.570 -0.027 0.000 2.465 17 I HA 0.403 4.475 4.170 -0.163 0.000 0.291 17 I C -0.490 175.587 176.117 -0.067 0.000 1.014 17 I CA -0.978 60.299 61.300 -0.038 0.000 1.093 17 I CB 2.055 40.027 38.000 -0.046 0.000 1.267 17 I HN 0.607 nan 8.210 nan 0.000 0.431 18 A N 6.456 129.223 122.820 -0.089 0.000 2.292 18 A HA 0.761 4.983 4.320 -0.163 0.000 0.319 18 A C -1.065 176.432 177.584 -0.144 0.000 1.206 18 A CA -0.455 51.500 52.037 -0.138 0.000 0.835 18 A CB 1.189 20.059 19.000 -0.217 0.000 1.164 18 A HN 0.625 nan 8.150 nan 0.000 0.505 19 L N 4.409 125.521 121.223 -0.185 0.000 2.298 19 L HA 0.550 4.792 4.340 -0.163 0.000 0.284 19 L C -0.981 175.733 176.870 -0.260 0.000 1.013 19 L CA -0.329 54.367 54.840 -0.240 0.000 0.824 19 L CB 0.847 42.686 42.059 -0.366 0.000 1.221 19 L HN 0.550 nan 8.230 nan 0.000 0.418 20 I N 6.769 127.261 120.570 -0.131 0.000 2.385 20 I HA 0.424 4.496 4.170 -0.163 0.000 0.294 20 I C -0.394 175.800 176.117 0.127 0.000 0.988 20 I CA -0.389 60.905 61.300 -0.010 0.000 1.265 20 I CB 0.846 38.852 38.000 0.010 0.000 1.388 20 I HN 0.781 nan 8.210 nan 0.000 0.480 21 Y N 1.140 121.439 120.300 -0.003 0.000 2.662 21 Y HA 0.531 4.984 4.550 -0.163 0.000 0.334 21 Y C 0.164 176.062 175.900 -0.003 0.000 1.185 21 Y CA -1.703 56.401 58.100 0.005 0.000 1.074 21 Y CB 1.333 39.799 38.460 0.011 0.000 1.330 21 Y HN 0.552 nan 8.280 nan 0.000 0.458 22 G N 2.845 111.649 108.800 0.006 0.000 3.102 22 G HA2 0.044 3.906 3.960 -0.163 0.000 0.264 22 G HA3 0.044 3.906 3.960 -0.163 0.000 0.264 22 G C 0.504 175.194 174.900 -0.351 0.000 0.788 22 G CA -0.278 44.745 45.100 -0.129 0.000 2.029 22 G HN 0.805 nan 8.290 nan 0.000 0.608 23 K N 0.401 120.410 120.400 -0.651 0.000 2.211 23 K HA -0.078 4.144 4.320 -0.163 0.000 0.204 23 K C 1.192 177.570 176.600 -0.369 0.000 1.047 23 K CA 1.424 57.222 56.287 -0.816 0.000 0.935 23 K CB 0.074 32.045 32.500 -0.882 0.000 0.728 23 K HN 0.552 nan 8.250 nan 0.000 0.452 24 T N -3.310 111.099 114.554 -0.242 0.000 2.896 24 T HA 0.654 4.906 4.350 -0.163 0.000 0.297 24 T C 0.062 174.686 174.700 -0.127 0.000 1.108 24 T CA -0.315 61.691 62.100 -0.156 0.000 1.004 24 T CB 2.146 70.948 68.868 -0.110 0.000 1.159 24 T HN 0.341 nan 8.240 nan 0.000 0.499 25 G N 2.013 110.749 108.800 -0.107 0.000 2.549 25 G HA2 0.007 3.869 3.960 -0.163 0.000 0.404 25 G HA3 0.007 3.869 3.960 -0.163 0.000 0.404 25 G C -2.064 172.771 174.900 -0.107 0.000 1.292 25 G CA -0.219 44.827 45.100 -0.090 0.000 0.935 25 G HN 0.722 nan 8.290 nan 0.000 0.512 26 P HA -0.064 nan 4.420 nan 0.000 0.217 26 P C 1.507 178.715 177.300 -0.154 0.000 1.151 26 P CA 1.469 64.508 63.100 -0.101 0.000 0.849 26 P CB 0.033 31.695 31.700 -0.063 0.000 0.787 27 L N 0.063 121.196 121.223 -0.150 0.000 2.872 27 L HA 0.151 4.393 4.340 -0.163 0.000 0.245 27 L C 2.319 179.028 176.870 -0.268 0.000 1.211 27 L CA -0.078 54.633 54.840 -0.214 0.000 1.013 27 L CB -0.575 41.458 42.059 -0.044 0.000 1.326 27 L HN 0.070 nan 8.230 nan 0.000 0.525 28 E N 1.011 121.062 120.200 -0.249 0.000 2.204 28 E HA -0.210 4.042 4.350 -0.163 0.000 0.195 28 E C 2.003 178.468 176.600 -0.224 0.000 0.990 28 E CA 1.250 57.514 56.400 -0.227 0.000 0.821 28 E CB 0.105 29.693 29.700 -0.187 0.000 0.750 28 E HN 0.422 nan 8.360 nan 0.000 0.477 29 A N 0.994 123.631 122.820 -0.306 0.000 1.877 29 A HA -0.151 4.071 4.320 -0.163 0.000 0.216 29 A C 1.871 179.369 177.584 -0.143 0.000 1.186 29 A CA 1.389 53.278 52.037 -0.247 0.000 0.620 29 A CB -0.864 17.930 19.000 -0.343 0.000 0.822 29 A HN 0.357 nan 8.150 nan 0.000 0.443 30 Y N -0.044 120.120 120.300 -0.227 0.000 2.114 30 Y HA -0.088 4.364 4.550 -0.164 0.000 0.284 30 Y C 3.026 178.807 175.900 -0.197 0.000 1.143 30 Y CA 0.236 58.088 58.100 -0.413 0.000 1.135 30 Y CB -1.506 36.427 38.460 -0.880 0.000 0.980 30 Y HN 0.313 nan 8.280 nan 0.000 0.499 31 A N 0.630 123.448 122.820 -0.002 0.000 1.940 31 A HA -0.307 3.916 4.320 -0.163 0.000 0.221 31 A C 2.284 179.954 177.584 0.142 0.000 1.190 31 A CA 2.411 54.481 52.037 0.055 0.000 0.647 31 A CB -0.729 18.132 19.000 -0.233 0.000 0.821 31 A HN 0.483 nan 8.150 nan 0.000 0.457 32 K N -1.227 119.196 120.400 0.038 0.000 2.097 32 K HA -0.200 4.022 4.320 -0.163 0.000 0.206 32 K C 2.319 178.991 176.600 0.119 0.000 1.049 32 K CA 1.715 58.045 56.287 0.073 0.000 0.933 32 K CB -0.185 32.318 32.500 0.005 0.000 0.717 32 K HN 0.557 nan 8.250 nan 0.000 0.442 33 Q N 0.152 120.041 119.800 0.149 0.000 2.084 33 Q HA -0.098 4.144 4.340 -0.163 0.000 0.202 33 Q C 2.031 178.161 176.000 0.217 0.000 0.978 33 Q CA 1.998 57.922 55.803 0.201 0.000 0.844 33 Q CB -0.178 28.741 28.738 0.303 0.000 0.898 33 Q HN 0.280 nan 8.270 nan 0.000 0.426 34 T N 0.310 115.003 114.554 0.232 0.000 2.684 34 T HA -0.226 4.026 4.350 -0.163 0.000 0.267 34 T C 1.566 176.360 174.700 0.157 0.000 1.036 34 T CA 1.573 63.798 62.100 0.208 0.000 1.148 34 T CB -0.242 68.754 68.868 0.215 0.000 0.863 34 T HN 0.423 nan 8.240 nan 0.000 0.436 35 E N 0.615 120.920 120.200 0.174 0.000 2.015 35 E HA -0.157 4.095 4.350 -0.163 0.000 0.191 35 E C 2.249 178.918 176.600 0.114 0.000 0.991 35 E CA 1.548 58.011 56.400 0.105 0.000 0.802 35 E CB -0.197 29.611 29.700 0.181 0.000 0.759 35 E HN 0.418 nan 8.360 nan 0.000 0.447 36 T N 0.144 114.776 114.554 0.130 0.000 2.653 36 T HA -0.197 4.055 4.350 -0.163 0.000 0.268 36 T C 1.769 176.601 174.700 0.220 0.000 1.035 36 T CA 1.364 63.548 62.100 0.141 0.000 1.154 36 T CB -0.866 68.021 68.868 0.032 0.000 0.862 36 T HN 0.439 nan 8.240 nan 0.000 0.441 37 G N 1.695 110.630 108.800 0.226 0.000 2.421 37 G HA2 -0.005 3.858 3.960 -0.163 0.000 0.216 37 G HA3 -0.005 3.858 3.960 -0.163 0.000 0.216 37 G C 0.764 175.775 174.900 0.185 0.000 1.171 37 G CA 0.570 45.839 45.100 0.281 0.000 0.775 37 G HN 0.489 nan 8.290 nan 0.000 0.543 42 L N 1.177 122.221 121.223 -0.298 0.000 2.017 42 L HA 0.014 4.256 4.340 -0.163 0.000 0.208 42 L C 2.591 179.394 176.870 -0.112 0.000 1.073 42 L CA 2.082 56.828 54.840 -0.156 0.000 0.745 42 L CB -0.373 41.630 42.059 -0.092 0.000 0.894 42 L HN 0.462 nan 8.230 nan 0.000 0.432 43 E N 0.054 120.213 120.200 -0.068 0.000 2.023 43 E HA -0.318 3.935 4.350 -0.163 0.000 0.196 43 E C 2.291 178.816 176.600 -0.125 0.000 1.003 43 E CA 1.828 58.220 56.400 -0.013 0.000 0.809 43 E CB -0.334 29.453 29.700 0.145 0.000 0.755 43 E HN 0.427 nan 8.360 nan 0.000 0.449 44 Y N 0.700 120.732 120.300 -0.446 0.000 2.165 44 Y HA -0.225 4.227 4.550 -0.163 0.000 0.286 44 Y C 2.013 177.684 175.900 -0.382 0.000 1.155 44 Y CA 1.909 59.583 58.100 -0.709 0.000 1.164 44 Y CB -0.519 37.431 38.460 -0.850 0.000 0.978 44 Y HN 0.167 nan 8.280 nan 0.000 0.513 45 A N -1.069 121.732 122.820 -0.033 0.000 2.066 45 A HA -0.081 4.141 4.320 -0.163 0.000 0.218 45 A C 1.874 179.399 177.584 -0.099 0.000 1.157 45 A CA 1.740 53.772 52.037 -0.008 0.000 0.670 45 A CB -1.034 17.960 19.000 -0.010 0.000 0.804 45 A HN 0.548 nan 8.150 nan 0.000 0.453 46 T N -3.841 110.640 114.554 -0.121 0.000 3.174 46 T HA 0.305 4.557 4.350 -0.163 0.000 0.269 46 T C 0.254 174.888 174.700 -0.109 0.000 1.017 46 T CA 0.003 62.046 62.100 -0.095 0.000 0.899 46 T CB -0.460 68.371 68.868 -0.063 0.000 1.077 46 T HN 0.424 nan 8.240 nan 0.000 0.552 47 K N 1.311 121.601 120.400 -0.183 0.000 3.177 47 K HA -0.211 4.011 4.320 -0.163 0.000 0.266 47 K C 1.207 177.765 176.600 -0.070 0.000 0.937 47 K CA 0.483 56.670 56.287 -0.166 0.000 0.702 47 K CB -2.000 30.417 32.500 -0.138 0.000 1.365 47 K HN 0.929 nan 8.250 nan 0.000 0.466 48 G N -0.708 108.065 108.800 -0.045 0.000 2.184 48 G HA2 -0.391 3.471 3.960 -0.163 0.000 0.264 48 G HA3 -0.391 3.471 3.960 -0.163 0.000 0.264 48 G C 0.337 175.239 174.900 0.004 0.000 0.975 48 G CA 0.898 46.007 45.100 0.014 0.000 0.642 48 G HN 0.800 nan 8.290 nan 0.000 0.536 52 L N 2.355 123.564 121.223 -0.024 0.000 2.356 52 L HA 0.775 5.017 4.340 -0.163 0.000 0.277 52 L C -0.484 176.374 176.870 -0.020 0.000 0.996 52 L CA 0.466 55.291 54.840 -0.025 0.000 0.822 52 L CB 1.079 43.121 42.059 -0.029 0.000 1.256 52 L HN 0.872 nan 8.230 nan 0.000 0.413 53 D N 4.677 125.066 120.400 -0.019 0.000 2.740 53 D HA -0.182 4.360 4.640 -0.163 0.000 0.231 53 D C 1.209 177.502 176.300 -0.013 0.000 1.194 53 D CA 1.641 55.632 54.000 -0.015 0.000 0.673 53 D CB -0.995 39.797 40.800 -0.014 0.000 0.995 53 D HN 1.351 nan 8.370 nan 0.000 0.411 54 G N -0.097 108.695 108.800 -0.012 0.000 2.196 54 G HA2 -0.410 3.453 3.960 -0.163 0.000 0.268 54 G HA3 -0.410 3.453 3.960 -0.163 0.000 0.268 54 G C 0.455 175.349 174.900 -0.010 0.000 0.975 54 G CA 0.704 45.798 45.100 -0.010 0.000 0.648 54 G HN 0.564 nan 8.290 nan 0.000 0.538 55 R N 0.173 120.666 120.500 -0.012 0.000 2.312 55 R HA 0.427 4.669 4.340 -0.163 0.000 0.311 55 R C 0.194 176.487 176.300 -0.012 0.000 1.004 55 R CA -0.750 55.343 56.100 -0.011 0.000 0.902 55 R CB 0.840 31.133 30.300 -0.013 0.000 1.073 55 R HN -0.057 nan 8.270 nan 0.000 0.457 56 K N 3.439 123.833 120.400 -0.010 0.000 2.249 56 K HA 0.279 4.501 4.320 -0.163 0.000 0.280 56 K C -0.219 176.374 176.600 -0.012 0.000 1.033 56 K CA -0.218 56.063 56.287 -0.010 0.000 0.946 56 K CB 0.808 33.304 32.500 -0.006 0.000 1.005 56 K HN 0.543 nan 8.250 nan 0.000 0.469 57 I N 4.699 125.261 120.570 -0.015 0.000 2.312 57 I HA 0.131 4.203 4.170 -0.163 0.000 0.290 57 I C 0.232 176.339 176.117 -0.016 0.000 1.008 57 I CA -0.990 60.299 61.300 -0.018 0.000 1.226 57 I CB 1.349 39.334 38.000 -0.026 0.000 1.371 57 I HN 0.201 nan 8.210 nan 0.000 0.468 58 V N 5.602 125.507 119.914 -0.016 0.000 2.667 58 V HA 0.701 4.723 4.120 -0.163 0.000 0.308 58 V C -0.498 175.581 176.094 -0.025 0.000 1.048 58 V CA -0.467 61.824 62.300 -0.016 0.000 0.928 58 V CB 2.068 33.885 31.823 -0.012 0.000 1.004 58 V HN 0.382 nan 8.190 nan 0.000 0.444 59 V N 5.490 125.386 119.914 -0.029 0.000 2.540 59 V HA 0.566 4.589 4.120 -0.163 0.000 0.302 59 V C -0.238 175.826 176.094 -0.050 0.000 1.035 59 V CA -0.372 61.900 62.300 -0.046 0.000 0.873 59 V CB 1.598 33.391 31.823 -0.050 0.000 0.992 59 V HN 0.853 nan 8.190 nan 0.000 0.428 60 I N 4.054 124.583 120.570 -0.069 0.000 2.389 60 I HA 0.503 4.575 4.170 -0.163 0.000 0.288 60 I C 0.310 176.364 176.117 -0.104 0.000 0.999 60 I CA -0.311 60.948 61.300 -0.068 0.000 1.129 60 I CB 2.161 40.122 38.000 -0.065 0.000 1.288 60 I HN 0.727 nan 8.210 nan 0.000 0.444 61 T N 2.731 117.232 114.554 -0.088 0.000 2.859 61 T HA 0.571 4.823 4.350 -0.163 0.000 0.281 61 T C -0.388 174.303 174.700 -0.016 0.000 1.005 61 T CA -0.947 61.074 62.100 -0.130 0.000 1.025 61 T CB 1.741 70.511 68.868 -0.164 0.000 0.977 61 T HN 0.329 nan 8.240 nan 0.000 0.458 62 K N 2.728 123.137 120.400 0.015 0.000 2.579 62 K HA 0.285 4.507 4.320 -0.163 0.000 0.250 62 K C -1.324 175.405 176.600 0.215 0.000 0.952 62 K CA -0.625 55.709 56.287 0.079 0.000 0.857 62 K CB 2.011 34.511 32.500 -0.000 0.000 1.123 62 K HN 0.808 nan 8.250 nan 0.000 0.433 63 D N 2.721 123.236 120.400 0.191 0.000 2.338 63 D HA -0.008 4.534 4.640 -0.163 0.000 0.255 63 D C 0.476 176.812 176.300 0.060 0.000 1.237 63 D CA 0.030 54.101 54.000 0.119 0.000 0.883 63 D CB 0.813 41.627 40.800 0.022 0.000 1.087 63 D HN 0.471 nan 8.370 nan 0.000 0.485 64 D N 2.700 123.136 120.400 0.060 0.000 2.369 64 D HA -0.058 4.484 4.640 -0.163 0.000 0.211 64 D C 0.455 176.757 176.300 0.005 0.000 1.077 64 D CA 0.029 54.048 54.000 0.033 0.000 0.842 64 D CB -0.218 40.609 40.800 0.046 0.000 0.947 64 D HN 0.586 nan 8.370 nan 0.000 0.509 65 Q N -0.539 119.247 119.800 -0.022 0.000 2.377 65 Q HA -0.267 3.976 4.340 -0.163 0.000 0.234 65 Q C -0.326 175.656 176.000 -0.031 0.000 0.847 65 Q CA 0.869 56.648 55.803 -0.040 0.000 1.280 65 Q CB -2.012 26.708 28.738 -0.031 0.000 1.717 65 Q HN 0.322 nan 8.270 nan 0.000 0.579 66 S N -1.313 114.379 115.700 -0.014 0.000 3.635 66 S HA -0.197 4.176 4.470 -0.163 0.000 0.328 66 S C -0.306 174.295 174.600 0.002 0.000 1.135 66 S CA 1.581 59.779 58.200 -0.002 0.000 0.942 66 S CB -0.668 62.523 63.200 -0.014 0.000 0.930 66 S HN 0.388 nan 8.310 nan 0.000 0.512 67 K N 0.179 120.581 120.400 0.004 0.000 2.274 67 K HA 0.340 4.563 4.320 -0.163 0.000 0.262 67 K C -2.100 174.508 176.600 0.013 0.000 0.961 67 K CA -2.523 53.767 56.287 0.005 0.000 0.833 67 K CB 1.445 33.945 32.500 0.000 0.000 1.102 67 K HN -0.113 nan 8.250 nan 0.000 0.436 68 P HA -0.251 nan 4.420 nan 0.000 0.215 68 P C 0.828 178.138 177.300 0.016 0.000 1.157 68 P CA 1.408 64.519 63.100 0.019 0.000 0.868 68 P CB 0.163 31.873 31.700 0.017 0.000 0.788 69 D N 0.137 120.544 120.400 0.012 0.000 2.104 69 D HA -0.185 4.358 4.640 -0.163 0.000 0.194 69 D C 2.001 178.307 176.300 0.010 0.000 0.994 69 D CA 1.408 55.414 54.000 0.010 0.000 0.830 69 D CB -1.214 39.590 40.800 0.006 0.000 0.959 69 D HN 0.188 nan 8.370 nan 0.000 0.452 70 L N 0.392 121.620 121.223 0.009 0.000 2.046 70 L HA -0.145 4.097 4.340 -0.163 0.000 0.208 70 L C 2.949 179.827 176.870 0.013 0.000 1.077 70 L CA 1.358 56.203 54.840 0.009 0.000 0.747 70 L CB -0.600 41.463 42.059 0.006 0.000 0.896 70 L HN 0.110 nan 8.230 nan 0.000 0.432 71 S N -0.343 115.368 115.700 0.018 0.000 2.399 71 S HA -0.170 4.202 4.470 -0.163 0.000 0.231 71 S C 2.021 176.632 174.600 0.020 0.000 1.022 71 S CA 1.173 59.386 58.200 0.023 0.000 0.983 71 S CB -0.019 63.200 63.200 0.031 0.000 0.803 71 S HN 0.289 nan 8.310 nan 0.000 0.480 72 K N 0.606 121.019 120.400 0.022 0.000 2.057 72 K HA -0.037 4.185 4.320 -0.163 0.000 0.207 72 K C 2.376 178.989 176.600 0.022 0.000 1.049 72 K CA 1.197 57.499 56.287 0.026 0.000 0.931 72 K CB -0.384 32.130 32.500 0.024 0.000 0.714 72 K HN 0.447 nan 8.250 nan 0.000 0.440 73 A N 1.492 124.320 122.820 0.014 0.000 1.855 73 A HA -0.082 4.141 4.320 -0.163 0.000 0.215 73 A C 2.394 179.979 177.584 0.001 0.000 1.191 73 A CA 1.755 53.798 52.037 0.011 0.000 0.613 73 A CB -0.782 18.223 19.000 0.008 0.000 0.829 73 A HN 0.319 nan 8.150 nan 0.000 0.442 74 A N -0.386 122.431 122.820 -0.004 0.000 1.927 74 A HA -0.185 4.037 4.320 -0.163 0.000 0.220 74 A C 2.243 179.790 177.584 -0.061 0.000 1.185 74 A CA 1.782 53.807 52.037 -0.020 0.000 0.639 74 A CB -0.654 18.343 19.000 -0.004 0.000 0.820 74 A HN 0.528 nan 8.150 nan 0.000 0.451 75 L N -1.257 119.930 121.223 -0.060 0.000 2.044 75 L HA -0.122 4.121 4.340 -0.163 0.000 0.205 75 L C 3.028 179.832 176.870 -0.110 0.000 1.075 75 L CA 1.354 56.109 54.840 -0.142 0.000 0.747 75 L CB -0.688 41.349 42.059 -0.038 0.000 0.903 75 L HN 0.466 nan 8.230 nan 0.000 0.435 76 A N 0.010 122.854 122.820 0.040 0.000 1.849 76 A HA -0.342 3.880 4.320 -0.163 0.000 0.217 76 A C 2.120 179.737 177.584 0.056 0.000 1.202 76 A CA 2.207 54.308 52.037 0.106 0.000 0.629 76 A CB -0.933 18.107 19.000 0.066 0.000 0.834 76 A HN 0.573 nan 8.150 nan 0.000 0.447 77 E N -0.272 119.932 120.200 0.007 0.000 2.086 77 E HA -0.246 4.006 4.350 -0.163 0.000 0.200 77 E C 2.127 178.707 176.600 -0.034 0.000 1.012 77 E CA 1.579 57.975 56.400 -0.007 0.000 0.812 77 E CB -0.346 29.346 29.700 -0.014 0.000 0.743 77 E HN 0.553 nan 8.360 nan 0.000 0.453 78 A N 0.024 122.777 122.820 -0.111 0.000 1.873 78 A HA -0.214 4.008 4.320 -0.163 0.000 0.218 78 A C 1.948 179.446 177.584 -0.144 0.000 1.193 78 A CA 1.874 53.799 52.037 -0.187 0.000 0.629 78 A CB -1.006 17.786 19.000 -0.346 0.000 0.826 78 A HN 0.449 nan 8.150 nan 0.000 0.447 79 Y N -0.406 119.886 120.300 -0.013 0.000 2.153 79 Y HA -0.140 4.312 4.550 -0.163 0.000 0.289 79 Y C 2.811 178.702 175.900 -0.015 0.000 1.127 79 Y CA 1.552 59.643 58.100 -0.016 0.000 1.131 79 Y CB -0.943 37.503 38.460 -0.024 0.000 0.995 79 Y HN 0.377 nan 8.280 nan 0.000 0.505 80 Q N -0.019 119.879 119.800 0.163 0.000 1.993 80 Q HA -0.192 4.050 4.340 -0.163 0.000 0.202 80 Q C 1.626 177.655 176.000 0.048 0.000 0.984 80 Q CA 2.021 57.874 55.803 0.083 0.000 0.837 80 Q CB -0.200 28.575 28.738 0.062 0.000 0.902 80 Q HN 0.421 nan 8.270 nan 0.000 0.423 81 D N -0.188 120.232 120.400 0.032 0.000 2.183 81 D HA -0.080 4.463 4.640 -0.163 0.000 0.205 81 D C 0.813 177.120 176.300 0.012 0.000 0.962 81 D CA 0.999 55.009 54.000 0.017 0.000 0.849 81 D CB 0.148 40.952 40.800 0.008 0.000 0.978 81 D HN 0.164 nan 8.370 nan 0.000 0.488 82 D N -1.155 119.250 120.400 0.008 0.000 2.379 82 D HA 0.175 4.717 4.640 -0.163 0.000 0.208 82 D C 1.170 177.477 176.300 0.012 0.000 1.065 82 D CA 0.465 54.465 54.000 0.001 0.000 0.848 82 D CB 0.766 41.555 40.800 -0.019 0.000 0.949 82 D HN 0.189 nan 8.370 nan 0.000 0.509 83 G N 1.424 110.244 108.800 0.034 0.000 2.221 83 G HA2 -0.227 3.635 3.960 -0.163 0.000 0.265 83 G HA3 -0.227 3.635 3.960 -0.163 0.000 0.265 83 G C 0.534 175.469 174.900 0.059 0.000 1.041 83 G CA 0.170 45.299 45.100 0.049 0.000 0.807 83 G HN 0.573 nan 8.290 nan 0.000 0.502 84 A N -0.305 122.552 122.820 0.062 0.000 2.546 84 A HA 0.471 4.694 4.320 -0.163 0.000 0.243 84 A C 1.198 178.876 177.584 0.157 0.000 1.063 84 A CA 0.853 52.924 52.037 0.058 0.000 0.757 84 A CB 0.314 19.288 19.000 -0.043 0.000 0.991 84 A HN 0.251 nan 8.150 nan 0.000 0.503 85 D N 0.542 121.003 120.400 0.101 0.000 2.348 85 D HA 0.207 4.749 4.640 -0.163 0.000 0.211 85 D C 0.132 176.510 176.300 0.130 0.000 0.998 85 D CA 1.064 55.123 54.000 0.098 0.000 0.873 85 D CB 0.178 41.005 40.800 0.044 0.000 0.925 85 D HN 0.555 nan 8.370 nan 0.000 0.524 86 I N -0.461 120.204 120.570 0.158 0.000 2.771 86 I HA 0.416 4.488 4.170 -0.163 0.000 0.291 86 I C -1.970 174.222 176.117 0.126 0.000 1.527 86 I CA -0.652 60.750 61.300 0.169 0.000 1.024 86 I CB 1.603 39.639 38.000 0.060 0.000 1.388 86 I HN -0.171 nan 8.210 nan 0.000 0.447 87 A N 7.169 130.088 122.820 0.165 0.000 2.330 87 A HA 0.930 5.152 4.320 -0.163 0.000 0.329 87 A C -1.222 176.382 177.584 0.033 0.000 1.135 87 A CA -0.569 51.480 52.037 0.020 0.000 0.817 87 A CB 1.325 20.272 19.000 -0.088 0.000 1.269 87 A HN 0.579 nan 8.150 nan 0.000 0.469 88 I N 0.376 120.938 120.570 -0.013 0.000 2.498 88 I HA 0.701 4.773 4.170 -0.163 0.000 0.290 88 I C 0.401 176.522 176.117 0.006 0.000 1.032 88 I CA -0.106 61.199 61.300 0.009 0.000 1.073 88 I CB 2.470 40.464 38.000 -0.010 0.000 1.251 88 I HN 0.986 nan 8.210 nan 0.000 0.426 89 G N 2.475 111.304 108.800 0.048 0.000 2.316 89 G HA2 0.454 4.316 3.960 -0.163 0.000 0.296 89 G HA3 0.454 4.316 3.960 -0.163 0.000 0.296 89 G C -1.487 173.465 174.900 0.086 0.000 1.399 89 G CA -0.280 44.857 45.100 0.063 0.000 0.833 89 G HN 0.588 nan 8.290 nan 0.000 0.565 90 T N -1.779 112.832 114.554 0.095 0.000 2.669 90 T HA 0.636 4.888 4.350 -0.163 0.000 0.283 90 T C 1.568 176.340 174.700 0.119 0.000 1.019 90 T CA 0.860 63.023 62.100 0.105 0.000 1.039 90 T CB 1.232 70.156 68.868 0.093 0.000 1.374 90 T HN 0.635 nan 8.240 nan 0.000 0.523 91 S N 0.759 116.534 115.700 0.125 0.000 2.345 91 S HA 0.062 4.434 4.470 -0.163 0.000 0.220 91 S C 1.072 175.732 174.600 0.099 0.000 1.031 91 S CA 1.067 59.333 58.200 0.109 0.000 0.996 91 S CB -0.334 62.916 63.200 0.083 0.000 0.882 91 S HN 0.728 nan 8.310 nan 0.000 0.445 92 S N 1.266 117.014 115.700 0.080 0.000 2.499 92 S HA 0.221 4.593 4.470 -0.163 0.000 0.275 92 S C 1.179 175.824 174.600 0.075 0.000 1.257 92 S CA -0.457 57.787 58.200 0.072 0.000 1.050 92 S CB 0.904 64.133 63.200 0.049 0.000 0.937 92 S HN 0.324 nan 8.310 nan 0.000 0.490 93 S N 5.056 120.803 115.700 0.078 0.000 2.368 93 S HA -0.215 4.157 4.470 -0.163 0.000 0.226 93 S C 2.192 176.827 174.600 0.057 0.000 1.044 93 S CA 1.577 59.820 58.200 0.071 0.000 1.062 93 S CB -1.045 62.194 63.200 0.066 0.000 0.931 93 S HN 0.971 nan 8.310 nan 0.000 0.440 94 A N 1.839 124.687 122.820 0.048 0.000 1.873 94 A HA 0.237 4.459 4.320 -0.163 0.000 0.215 94 A C 2.441 180.048 177.584 0.038 0.000 1.186 94 A CA 1.654 53.713 52.037 0.038 0.000 0.616 94 A CB -1.298 17.721 19.000 0.030 0.000 0.823 94 A HN 0.604 nan 8.150 nan 0.000 0.442 95 A N -0.348 122.495 122.820 0.039 0.000 2.076 95 A HA 0.162 4.384 4.320 -0.163 0.000 0.220 95 A C 2.327 179.939 177.584 0.046 0.000 1.160 95 A CA 1.946 54.006 52.037 0.039 0.000 0.653 95 A CB -0.727 18.296 19.000 0.038 0.000 0.801 95 A HN 1.009 nan 8.150 nan 0.000 0.455 96 A N -0.879 121.974 122.820 0.054 0.000 1.970 96 A HA 0.134 4.356 4.320 -0.163 0.000 0.216 96 A C 2.012 179.628 177.584 0.054 0.000 1.170 96 A CA 1.349 53.422 52.037 0.061 0.000 0.645 96 A CB -0.410 18.634 19.000 0.072 0.000 0.816 96 A HN 0.549 nan 8.150 nan 0.000 0.447 97 L N -0.306 120.945 121.223 0.046 0.000 2.141 97 L HA 0.027 4.269 4.340 -0.163 0.000 0.209 97 L C 2.617 179.507 176.870 0.033 0.000 1.094 97 L CA 1.778 56.640 54.840 0.037 0.000 0.763 97 L CB -0.528 41.549 42.059 0.031 0.000 0.908 97 L HN 0.328 nan 8.230 nan 0.000 0.437 98 A N -0.925 121.915 122.820 0.032 0.000 1.972 98 A HA -0.200 4.022 4.320 -0.163 0.000 0.219 98 A C 1.888 179.492 177.584 0.034 0.000 1.169 98 A CA 1.882 53.936 52.037 0.028 0.000 0.635 98 A CB -0.619 18.397 19.000 0.026 0.000 0.810 98 A HN 0.501 nan 8.150 nan 0.000 0.446 99 D N -0.352 120.074 120.400 0.044 0.000 2.234 99 D HA -0.032 4.510 4.640 -0.163 0.000 0.205 99 D C 1.693 178.031 176.300 0.063 0.000 0.962 99 D CA 0.389 54.424 54.000 0.058 0.000 0.855 99 D CB -0.221 40.618 40.800 0.066 0.000 0.951 99 D HN 0.227 nan 8.370 nan 0.000 0.500 100 L N 1.075 122.329 121.223 0.053 0.000 2.021 100 L HA -0.167 4.076 4.340 -0.163 0.000 0.215 100 L C -0.490 176.398 176.870 0.030 0.000 1.074 100 L CA 2.002 56.872 54.840 0.049 0.000 0.760 100 L CB -2.289 39.791 42.059 0.036 0.000 0.889 100 L HN 0.093 nan 8.230 nan 0.000 0.433 101 P HA -0.099 nan 4.420 nan 0.000 0.215 101 P C 2.129 179.412 177.300 -0.028 0.000 1.157 101 P CA 1.025 64.120 63.100 -0.008 0.000 0.868 101 P CB 0.022 31.720 31.700 -0.003 0.000 0.788 102 V N 0.308 120.228 119.914 0.010 0.000 2.380 102 V HA -0.311 3.711 4.120 -0.163 0.000 0.251 102 V C 2.470 178.553 176.094 -0.019 0.000 1.063 102 V CA 2.234 64.551 62.300 0.028 0.000 1.055 102 V CB -1.910 29.973 31.823 0.100 0.000 0.657 102 V HN 0.118 nan 8.190 nan 0.000 0.455 103 A N -0.463 122.355 122.820 -0.004 0.000 1.865 103 A HA -0.302 3.920 4.320 -0.163 0.000 0.217 103 A C 2.316 179.636 177.584 -0.439 0.000 1.191 103 A CA 2.205 54.155 52.037 -0.145 0.000 0.623 103 A CB -0.545 18.474 19.000 0.031 0.000 0.826 103 A HN 0.611 nan 8.150 nan 0.000 0.444 104 E N -0.449 119.539 120.200 -0.352 0.000 2.031 104 E HA -0.212 4.040 4.350 -0.163 0.000 0.193 104 E C 2.002 178.331 176.600 -0.452 0.000 0.994 104 E CA 1.294 57.370 56.400 -0.539 0.000 0.800 104 E CB -0.151 29.457 29.700 -0.152 0.000 0.752 104 E HN 0.726 nan 8.360 nan 0.000 0.447 105 E N 0.067 120.119 120.200 -0.246 0.000 2.130 105 E HA -0.211 4.041 4.350 -0.163 0.000 0.196 105 E C 1.435 177.902 176.600 -0.222 0.000 0.998 105 E CA 1.355 57.649 56.400 -0.177 0.000 0.806 105 E CB -0.111 29.532 29.700 -0.095 0.000 0.738 105 E HN 0.201 nan 8.360 nan 0.000 0.459 106 N N -0.184 118.328 118.700 -0.313 0.000 2.280 106 N HA 0.067 4.710 4.740 -0.163 0.000 0.192 106 N C -0.628 174.613 175.510 -0.448 0.000 1.109 106 N CA 0.043 52.883 53.050 -0.349 0.000 0.855 106 N CB 0.432 38.682 38.487 -0.395 0.000 0.974 106 N HN -0.041 nan 8.380 nan 0.000 0.482 107 K N -0.374 119.675 120.400 -0.585 0.000 3.071 107 K HA -0.227 3.995 4.320 -0.163 0.000 0.265 107 K C -0.853 175.539 176.600 -0.347 0.000 1.060 107 K CA 0.859 56.798 56.287 -0.581 0.000 0.767 107 K CB -0.871 31.495 32.500 -0.223 0.000 1.241 107 K HN 0.257 nan 8.250 nan 0.000 0.486 108 K N -0.260 119.852 120.400 -0.480 0.000 2.433 108 K HA 0.503 4.725 4.320 -0.163 0.000 0.252 108 K C -0.102 176.496 176.600 -0.004 0.000 1.015 108 K CA -1.030 55.117 56.287 -0.233 0.000 0.860 108 K CB 1.524 33.713 32.500 -0.519 0.000 1.359 108 K HN -0.030 nan 8.250 nan 0.000 0.452 109 I N 1.888 122.543 120.570 0.141 0.000 2.472 109 I HA 0.161 4.233 4.170 -0.163 0.000 0.290 109 I C -0.676 175.589 176.117 0.247 0.000 1.016 109 I CA -0.598 60.844 61.300 0.236 0.000 1.348 109 I CB 0.809 38.916 38.000 0.177 0.000 1.417 109 I HN 0.245 nan 8.210 nan 0.000 0.521 110 L N 8.110 129.484 121.223 0.252 0.000 2.372 110 L HA 0.546 4.788 4.340 -0.163 0.000 0.274 110 L C -0.893 176.089 176.870 0.186 0.000 0.988 110 L CA -0.088 54.883 54.840 0.218 0.000 0.833 110 L CB 1.172 43.356 42.059 0.209 0.000 1.236 110 L HN 0.356 nan 8.230 nan 0.000 0.410 111 I N 5.832 126.486 120.570 0.140 0.000 2.312 111 I HA 0.305 4.377 4.170 -0.163 0.000 0.291 111 I C -0.301 175.891 176.117 0.125 0.000 1.031 111 I CA -0.699 60.681 61.300 0.133 0.000 1.293 111 I CB 1.477 39.526 38.000 0.081 0.000 1.403 111 I HN 0.265 nan 8.210 nan 0.000 0.484 112 V N 6.089 126.088 119.914 0.142 0.000 2.408 112 V HA 0.356 4.379 4.120 -0.163 0.000 0.267 112 V C -0.092 176.079 176.094 0.129 0.000 1.047 112 V CA -0.009 62.366 62.300 0.125 0.000 0.937 112 V CB 0.779 32.673 31.823 0.119 0.000 0.999 112 V HN 0.786 nan 8.190 nan 0.000 0.472 113 E N 7.085 127.356 120.200 0.118 0.000 2.481 113 E HA 0.403 4.656 4.350 -0.163 0.000 0.301 113 E C -2.707 173.975 176.600 0.137 0.000 0.948 113 E CA -1.081 55.392 56.400 0.123 0.000 0.804 113 E CB 2.425 32.189 29.700 0.107 0.000 1.265 113 E HN 0.252 nan 8.360 nan 0.000 0.406 114 P HA 0.186 nan 4.420 nan 0.000 0.226 114 P C -0.055 177.361 177.300 0.194 0.000 1.161 114 P CA 1.087 64.318 63.100 0.218 0.000 0.804 114 P CB 0.159 32.124 31.700 0.441 0.000 0.829 127 R N -0.647 119.685 120.500 -0.280 0.000 2.341 127 R HA -0.023 4.220 4.340 -0.163 0.000 0.213 127 R C 0.289 176.312 176.300 -0.461 0.000 1.082 127 R CA 1.183 56.972 56.100 -0.518 0.000 1.017 127 R CB -0.700 29.303 30.300 -0.495 0.000 0.860 127 R HN 0.536 nan 8.270 nan 0.000 0.473 128 Y N 0.817 121.058 120.300 -0.099 0.000 2.466 128 Y HA 0.258 4.710 4.550 -0.163 0.000 0.272 128 Y C 0.495 176.420 175.900 0.042 0.000 1.169 128 Y CA -0.562 57.542 58.100 0.007 0.000 1.285 128 Y CB 0.543 38.992 38.460 -0.018 0.000 1.078 128 Y HN -0.052 nan 8.280 nan 0.000 0.523 129 I N 0.319 120.909 120.570 0.034 0.000 2.359 129 I HA 0.214 4.287 4.170 -0.163 0.000 0.294 129 I C -0.780 175.261 176.117 -0.126 0.000 0.987 129 I CA -1.334 59.984 61.300 0.030 0.000 1.225 129 I CB 0.262 38.264 38.000 0.003 0.000 1.366 129 I HN -0.113 nan 8.210 nan 0.000 0.466 130 F N 4.865 124.818 119.950 0.004 0.000 2.529 130 F HA 0.567 4.996 4.527 -0.163 0.000 0.320 130 F C 0.635 176.443 175.800 0.013 0.000 1.118 130 F CA -0.652 57.266 58.000 -0.136 0.000 0.915 130 F CB 1.776 40.424 39.000 -0.586 0.000 1.161 130 F HN 0.335 nan 8.300 nan 0.000 0.445 131 R N 0.201 120.866 120.500 0.275 0.000 2.700 131 R HA 0.520 4.763 4.340 -0.163 0.000 0.253 131 R C 0.395 176.933 176.300 0.396 0.000 1.091 131 R CA -0.668 55.596 56.100 0.273 0.000 1.104 131 R CB 1.263 31.675 30.300 0.187 0.000 1.202 131 R HN 0.582 nan 8.270 nan 0.000 0.532 132 T N -0.388 114.330 114.554 0.274 0.000 3.023 132 T HA 0.281 4.533 4.350 -0.163 0.000 0.253 132 T C 0.049 174.854 174.700 0.176 0.000 1.038 132 T CA 0.662 62.911 62.100 0.249 0.000 0.962 132 T CB 0.328 69.299 68.868 0.171 0.000 1.018 132 T HN 0.874 nan 8.240 nan 0.000 0.521 133 G N 1.823 110.719 108.800 0.160 0.000 2.570 133 G HA2 -0.045 3.817 3.960 -0.163 0.000 0.686 133 G HA3 -0.045 3.817 3.960 -0.163 0.000 0.686 133 G C -1.364 173.584 174.900 0.079 0.000 1.257 133 G CA -1.228 43.936 45.100 0.107 0.000 0.846 133 G HN 0.238 nan 8.290 nan 0.000 0.627 134 R N 0.894 121.425 120.500 0.052 0.000 2.312 134 R HA 0.625 4.867 4.340 -0.163 0.000 0.311 134 R C 0.362 176.666 176.300 0.007 0.000 1.004 134 R CA -0.462 55.654 56.100 0.028 0.000 0.902 134 R CB 1.096 31.405 30.300 0.015 0.000 1.073 134 R HN 0.961 nan 8.270 nan 0.000 0.457 135 N N -1.520 117.169 118.700 -0.018 0.000 2.902 135 N HA 0.151 4.793 4.740 -0.163 0.000 0.268 135 N C 0.242 175.637 175.510 -0.192 0.000 1.450 135 N CA -0.748 52.263 53.050 -0.064 0.000 0.819 135 N CB 0.505 38.998 38.487 0.010 0.000 1.540 135 N HN 0.251 nan 8.380 nan 0.000 0.545 136 S N -1.208 114.332 115.700 -0.268 0.000 2.436 136 S HA -0.032 4.341 4.470 -0.163 0.000 0.228 136 S C 1.202 175.317 174.600 -0.808 0.000 1.014 136 S CA 0.754 58.725 58.200 -0.382 0.000 0.950 136 S CB -0.710 62.390 63.200 -0.167 0.000 0.784 136 S HN 0.478 nan 8.310 nan 0.000 0.504 137 S N 2.199 117.313 115.700 -0.977 0.000 2.402 137 S HA -0.097 4.275 4.470 -0.163 0.000 0.229 137 S C 2.034 176.068 174.600 -0.942 0.000 1.021 137 S CA 1.192 58.602 58.200 -1.317 0.000 0.974 137 S CB -0.340 61.421 63.200 -2.400 0.000 0.800 137 S HN 0.628 nan 8.310 nan 0.000 0.484 138 Q N 0.767 120.191 119.800 -0.627 0.000 2.049 138 Q HA -0.099 4.143 4.340 -0.163 0.000 0.198 138 Q C 1.605 177.442 176.000 -0.272 0.000 0.971 138 Q CA 1.194 56.810 55.803 -0.312 0.000 0.833 138 Q CB -0.188 28.477 28.738 -0.121 0.000 0.896 138 Q HN 0.361 nan 8.270 nan 0.000 0.434 139 D N 0.560 120.781 120.400 -0.298 0.000 2.133 139 D HA -0.169 4.374 4.640 -0.163 0.000 0.195 139 D C 1.689 177.816 176.300 -0.289 0.000 0.997 139 D CA 1.500 55.354 54.000 -0.244 0.000 0.840 139 D CB -0.154 40.507 40.800 -0.232 0.000 0.947 139 D HN 0.287 nan 8.370 nan 0.000 0.452 140 A N 0.153 122.678 122.820 -0.492 0.000 1.897 140 A HA -0.059 4.163 4.320 -0.163 0.000 0.215 140 A C 2.351 179.769 177.584 -0.277 0.000 1.181 140 A CA 0.638 52.382 52.037 -0.488 0.000 0.620 140 A CB -0.605 17.766 19.000 -1.049 0.000 0.821 140 A HN 0.164 nan 8.150 nan 0.000 0.443 141 I N 0.318 120.718 120.570 -0.283 0.000 2.163 141 I HA -0.278 3.794 4.170 -0.163 0.000 0.243 141 I C 2.729 178.800 176.117 -0.077 0.000 1.085 141 I CA 1.516 62.738 61.300 -0.130 0.000 1.347 141 I CB -0.298 37.639 38.000 -0.105 0.000 1.044 141 I HN 0.249 nan 8.210 nan 0.000 0.408 142 S N 1.000 116.641 115.700 -0.098 0.000 2.369 142 S HA -0.269 4.103 4.470 -0.163 0.000 0.225 142 S C 1.764 176.336 174.600 -0.046 0.000 1.043 142 S CA 2.116 60.279 58.200 -0.061 0.000 1.074 142 S CB -0.716 62.440 63.200 -0.074 0.000 0.962 142 S HN 0.435 nan 8.310 nan 0.000 0.433 143 N N 1.888 120.547 118.700 -0.067 0.000 2.043 143 N HA -0.045 4.598 4.740 -0.163 0.000 0.193 143 N C 1.901 177.402 175.510 -0.016 0.000 1.037 143 N CA 1.479 54.505 53.050 -0.039 0.000 0.851 143 N CB -0.868 37.591 38.487 -0.047 0.000 1.027 143 N HN 0.438 nan 8.380 nan 0.000 0.422 144 A N 0.527 123.337 122.820 -0.017 0.000 1.903 144 A HA -0.174 4.049 4.320 -0.163 0.000 0.219 144 A C 2.480 180.076 177.584 0.021 0.000 1.191 144 A CA 1.791 53.835 52.037 0.010 0.000 0.638 144 A CB -1.110 17.899 19.000 0.015 0.000 0.823 144 A HN 0.134 nan 8.150 nan 0.000 0.451 145 V N -0.289 119.635 119.914 0.017 0.000 2.255 145 V HA -0.308 3.715 4.120 -0.163 0.000 0.247 145 V C 3.097 179.205 176.094 0.023 0.000 1.051 145 V CA 2.253 64.569 62.300 0.026 0.000 1.018 145 V CB -1.299 30.538 31.823 0.023 0.000 0.641 145 V HN 0.676 nan 8.190 nan 0.000 0.445 146 A N -0.459 122.369 122.820 0.013 0.000 1.892 146 A HA -0.264 3.958 4.320 -0.163 0.000 0.218 146 A C 2.192 179.789 177.584 0.021 0.000 1.188 146 A CA 2.380 54.426 52.037 0.014 0.000 0.631 146 A CB -0.661 18.342 19.000 0.006 0.000 0.822 146 A HN 0.524 nan 8.150 nan 0.000 0.447 147 I N -0.563 120.021 120.570 0.023 0.000 2.163 147 I HA -0.241 3.831 4.170 -0.163 0.000 0.243 147 I C 2.700 178.844 176.117 0.045 0.000 1.085 147 I CA 1.284 62.601 61.300 0.029 0.000 1.347 147 I CB -0.605 37.410 38.000 0.025 0.000 1.044 147 I HN 0.425 nan 8.210 nan 0.000 0.408 148 G N 0.427 109.259 108.800 0.054 0.000 2.462 148 G HA2 -0.237 3.625 3.960 -0.163 0.000 0.220 148 G HA3 -0.237 3.625 3.960 -0.163 0.000 0.220 148 G C 1.548 176.487 174.900 0.065 0.000 1.121 148 G CA 0.533 45.679 45.100 0.076 0.000 0.758 148 G HN 0.350 nan 8.290 nan 0.000 0.559 149 K N 0.289 120.716 120.400 0.045 0.000 2.437 149 K HA 0.159 4.381 4.320 -0.163 0.000 0.198 149 K C 0.550 177.171 176.600 0.035 0.000 1.024 149 K CA 0.103 56.411 56.287 0.036 0.000 1.148 149 K CB 0.202 32.718 32.500 0.027 0.000 0.860 149 K HN 0.460 nan 8.250 nan 0.000 0.515 150 Q N -0.739 119.086 119.800 0.042 0.000 2.495 150 Q HA 0.397 4.639 4.340 -0.163 0.000 0.283 150 Q C 0.112 176.141 176.000 0.049 0.000 1.097 150 Q CA -1.077 54.749 55.803 0.038 0.000 0.836 150 Q CB 1.276 30.032 28.738 0.031 0.000 1.426 150 Q HN 0.113 nan 8.270 nan 0.000 0.459 151 G N -0.166 108.660 108.800 0.043 0.000 2.572 151 G HA2 0.437 4.299 3.960 -0.163 0.000 0.261 151 G HA3 0.437 4.299 3.960 -0.163 0.000 0.261 151 G C -0.815 174.117 174.900 0.054 0.000 1.197 151 G CA -0.263 44.867 45.100 0.051 0.000 0.870 151 G HN 0.232 nan 8.290 nan 0.000 0.548 152 V N 0.558 120.512 119.914 0.067 0.000 2.525 152 V HA 0.463 4.486 4.120 -0.163 0.000 0.299 152 V C -0.213 175.917 176.094 0.060 0.000 1.034 152 V CA -0.684 61.648 62.300 0.053 0.000 0.863 152 V CB 1.746 33.602 31.823 0.054 0.000 0.999 152 V HN 0.836 nan 8.190 nan 0.000 0.423 153 T N 6.128 120.715 114.554 0.055 0.000 2.807 153 T HA 0.733 4.985 4.350 -0.163 0.000 0.279 153 T C -0.364 174.383 174.700 0.079 0.000 0.993 153 T CA -0.293 61.844 62.100 0.062 0.000 0.970 153 T CB 1.526 70.426 68.868 0.053 0.000 0.950 153 T HN 0.385 nan 8.240 nan 0.000 0.441 154 I N 1.954 122.579 120.570 0.093 0.000 2.569 154 I HA 0.701 4.774 4.170 -0.163 0.000 0.296 154 I C -0.266 175.911 176.117 0.101 0.000 1.028 154 I CA -1.234 60.142 61.300 0.126 0.000 1.082 154 I CB 1.908 40.020 38.000 0.187 0.000 1.264 154 I HN 0.698 nan 8.210 nan 0.000 0.429 155 A N 3.439 126.314 122.820 0.091 0.000 2.335 155 A HA 0.701 4.924 4.320 -0.163 0.000 0.304 155 A C -0.221 177.380 177.584 0.028 0.000 1.118 155 A CA -0.542 51.522 52.037 0.046 0.000 0.757 155 A CB 1.170 20.186 19.000 0.026 0.000 1.188 155 A HN 0.714 nan 8.150 nan 0.000 0.460 156 T N 0.053 114.593 114.554 -0.023 0.000 2.907 156 T HA 0.636 4.888 4.350 -0.163 0.000 0.284 156 T C -0.545 174.078 174.700 -0.128 0.000 1.004 156 T CA -0.554 61.502 62.100 -0.073 0.000 1.063 156 T CB 1.156 69.944 68.868 -0.133 0.000 0.992 156 T HN 1.004 nan 8.240 nan 0.000 0.483 157 L N 2.207 123.378 121.223 -0.086 0.000 2.376 157 L HA 0.867 5.109 4.340 -0.163 0.000 0.275 157 L C -0.532 176.359 176.870 0.035 0.000 0.987 157 L CA -0.518 54.282 54.840 -0.067 0.000 0.828 157 L CB 0.961 42.997 42.059 -0.039 0.000 1.249 157 L HN 1.194 nan 8.230 nan 0.000 0.409 158 A N 3.905 126.746 122.820 0.034 0.000 2.524 158 A HA 0.798 5.020 4.320 -0.163 0.000 0.289 158 A C -1.207 176.543 177.584 0.276 0.000 1.248 158 A CA -0.666 51.476 52.037 0.175 0.000 0.712 158 A CB 1.078 20.111 19.000 0.055 0.000 1.312 158 A HN 0.642 nan 8.150 nan 0.000 0.441 159 Q N 0.300 120.165 119.800 0.110 0.000 2.235 159 Q HA 0.328 4.570 4.340 -0.163 0.000 0.250 159 Q C -1.157 175.026 176.000 0.304 0.000 0.909 159 Q CA -0.390 55.460 55.803 0.079 0.000 0.910 159 Q CB 1.340 29.996 28.738 -0.136 0.000 1.223 159 Q HN 0.571 nan 8.270 nan 0.000 0.432 160 D N 2.980 123.558 120.400 0.297 0.000 2.688 160 D HA 0.111 4.653 4.640 -0.163 0.000 0.228 160 D C -1.305 175.151 176.300 0.261 0.000 1.116 160 D CA 0.347 54.497 54.000 0.250 0.000 1.023 160 D CB -0.410 40.507 40.800 0.194 0.000 1.100 160 D HN 0.457 nan 8.370 nan 0.000 0.487 161 Y N -2.131 118.174 120.300 0.009 0.000 2.958 161 Y HA 0.579 5.027 4.550 -0.170 0.000 0.315 161 Y C 1.086 177.004 175.900 0.030 0.000 1.541 161 Y CA -0.809 57.288 58.100 -0.004 0.000 1.087 161 Y CB 0.262 38.710 38.460 -0.019 0.000 1.593 161 Y HN -0.186 nan 8.280 nan 0.000 0.446 162 A N 0.749 123.474 122.820 -0.159 0.000 1.859 162 A HA -0.136 4.086 4.320 -0.163 0.000 0.217 162 A C 1.493 179.015 177.584 -0.104 0.000 1.198 162 A CA 2.240 54.227 52.037 -0.084 0.000 0.629 162 A CB -1.097 17.948 19.000 0.074 0.000 0.830 162 A HN 0.693 nan 8.150 nan 0.000 0.446 163 F N -0.006 119.543 119.950 -0.667 0.000 2.743 163 F HA 0.203 4.631 4.527 -0.165 0.000 0.297 163 F C 2.360 177.942 175.800 -0.365 0.000 1.131 163 F CA -0.035 57.711 58.000 -0.423 0.000 1.426 163 F CB -0.569 38.255 39.000 -0.294 0.000 1.116 163 F HN 0.247 nan 8.300 nan 0.000 0.583 164 G N -0.212 108.352 108.800 -0.393 0.000 2.394 164 G HA2 -0.166 3.696 3.960 -0.163 0.000 0.215 164 G HA3 -0.166 3.696 3.960 -0.163 0.000 0.215 164 G C 1.917 176.833 174.900 0.026 0.000 1.165 164 G CA 0.212 45.238 45.100 -0.123 0.000 0.784 164 G HN 0.219 nan 8.290 nan 0.000 0.535 165 R N 0.181 120.666 120.500 -0.025 0.000 2.119 165 R HA 0.029 4.271 4.340 -0.163 0.000 0.222 165 R C 1.889 178.169 176.300 -0.033 0.000 1.088 165 R CA 1.089 57.201 56.100 0.020 0.000 0.984 165 R CB -0.083 30.119 30.300 -0.162 0.000 0.884 165 R HN 0.201 nan 8.270 nan 0.000 0.447 166 D N -0.107 120.208 120.400 -0.142 0.000 2.149 166 D HA -0.054 4.488 4.640 -0.163 0.000 0.201 166 D C 1.844 178.018 176.300 -0.210 0.000 0.972 166 D CA 1.247 55.112 54.000 -0.226 0.000 0.835 166 D CB -0.294 40.223 40.800 -0.471 0.000 0.966 166 D HN 0.332 nan 8.370 nan 0.000 0.476 167 G N 0.158 108.838 108.800 -0.200 0.000 2.511 167 G HA2 -0.076 3.786 3.960 -0.163 0.000 0.217 167 G HA3 -0.076 3.786 3.960 -0.163 0.000 0.217 167 G C 1.193 176.122 174.900 0.048 0.000 1.133 167 G CA 0.120 45.166 45.100 -0.090 0.000 0.792 167 G HN 0.219 nan 8.290 nan 0.000 0.539 168 V N 0.820 120.778 119.914 0.074 0.000 3.189 168 V HA 0.495 4.517 4.120 -0.163 0.000 0.366 168 V C 1.508 177.690 176.094 0.146 0.000 1.313 168 V CA 0.705 63.088 62.300 0.138 0.000 1.302 168 V CB -0.100 31.816 31.823 0.154 0.000 1.260 168 V HN 0.442 nan 8.190 nan 0.000 0.484 169 A N 0.128 122.998 122.820 0.084 0.000 1.964 169 A HA 0.506 4.728 4.320 -0.163 0.000 0.198 169 A C 2.184 179.788 177.584 0.033 0.000 1.599 169 A CA 0.944 53.011 52.037 0.049 0.000 0.968 169 A CB -0.406 18.594 19.000 -0.001 0.000 1.029 169 A HN 0.469 nan 8.150 nan 0.000 0.508 170 A N -0.220 122.610 122.820 0.017 0.000 1.896 170 A HA -0.212 4.010 4.320 -0.163 0.000 0.220 170 A C 2.030 179.638 177.584 0.040 0.000 1.206 170 A CA 2.101 54.147 52.037 0.014 0.000 0.647 170 A CB -0.977 18.031 19.000 0.014 0.000 0.828 170 A HN 0.861 nan 8.150 nan 0.000 0.455 171 F N 0.226 120.140 119.950 -0.060 0.000 2.075 171 F HA -0.124 4.317 4.527 -0.142 0.000 0.297 171 F C 2.222 177.943 175.800 -0.132 0.000 1.113 171 F CA 2.287 60.215 58.000 -0.120 0.000 1.218 171 F CB -0.262 38.647 39.000 -0.152 0.000 0.984 171 F HN 0.156 nan 8.300 nan 0.000 0.472 172 K N 0.083 120.518 120.400 0.058 0.000 2.160 172 K HA -0.270 3.952 4.320 -0.163 0.000 0.206 172 K C 2.144 178.664 176.600 -0.134 0.000 1.047 172 K CA 1.894 58.164 56.287 -0.030 0.000 0.930 172 K CB -0.218 32.316 32.500 0.056 0.000 0.720 172 K HN 0.434 nan 8.250 nan 0.000 0.450 173 E N -0.503 119.630 120.200 -0.111 0.000 2.046 173 E HA -0.142 4.110 4.350 -0.163 0.000 0.190 173 E C 1.817 178.315 176.600 -0.170 0.000 0.982 173 E CA 0.969 57.303 56.400 -0.110 0.000 0.800 173 E CB -0.045 29.612 29.700 -0.072 0.000 0.756 173 E HN 0.363 nan 8.360 nan 0.000 0.449 174 A N 1.022 123.707 122.820 -0.225 0.000 1.858 174 A HA -0.176 4.046 4.320 -0.163 0.000 0.216 174 A C 2.126 179.487 177.584 -0.371 0.000 1.190 174 A CA 1.346 53.219 52.037 -0.272 0.000 0.617 174 A CB -0.816 18.018 19.000 -0.278 0.000 0.827 174 A HN 0.381 nan 8.150 nan 0.000 0.443 175 L N -0.406 120.460 121.223 -0.595 0.000 2.447 175 L HA -0.023 4.219 4.340 -0.163 0.000 0.225 175 L C 2.195 178.893 176.870 -0.288 0.000 1.148 175 L CA 1.674 56.186 54.840 -0.546 0.000 0.808 175 L CB -0.444 41.144 42.059 -0.784 0.000 0.928 175 L HN 0.333 nan 8.230 nan 0.000 0.448 176 A N -1.034 121.649 122.820 -0.229 0.000 2.275 176 A HA -0.005 4.218 4.320 -0.163 0.000 0.212 176 A C 2.040 179.541 177.584 -0.138 0.000 1.201 176 A CA 0.621 52.570 52.037 -0.147 0.000 0.843 176 A CB -0.368 18.566 19.000 -0.111 0.000 0.873 176 A HN 0.493 nan 8.150 nan 0.000 0.492 177 K N 0.112 120.410 120.400 -0.170 0.000 2.414 177 K HA 0.051 4.273 4.320 -0.163 0.000 0.204 177 K C 1.147 177.624 176.600 -0.205 0.000 1.026 177 K CA 0.945 57.137 56.287 -0.158 0.000 1.108 177 K CB 0.077 32.492 32.500 -0.143 0.000 0.855 177 K HN 0.356 nan 8.250 nan 0.000 0.517 178 T N -4.383 110.025 114.554 -0.245 0.000 3.111 178 T HA 0.303 4.555 4.350 -0.163 0.000 0.236 178 T C 1.401 175.947 174.700 -0.256 0.000 0.984 178 T CA 0.745 62.621 62.100 -0.374 0.000 1.195 178 T CB 0.472 68.997 68.868 -0.571 0.000 0.929 178 T HN 0.216 nan 8.240 nan 0.000 0.431 179 G N 1.122 109.845 108.800 -0.129 0.000 2.234 179 G HA2 0.288 4.150 3.960 -0.163 0.000 0.153 179 G HA3 0.288 4.150 3.960 -0.163 0.000 0.153 179 G C 0.137 175.053 174.900 0.027 0.000 1.013 179 G CA -0.023 45.047 45.100 -0.049 0.000 0.712 179 G HN 1.006 nan 8.290 nan 0.000 0.491 180 A N -0.057 122.800 122.820 0.062 0.000 2.286 180 A HA 0.836 5.058 4.320 -0.163 0.000 0.286 180 A C 0.412 178.018 177.584 0.037 0.000 1.097 180 A CA 0.553 52.644 52.037 0.089 0.000 0.821 180 A CB 1.047 20.134 19.000 0.145 0.000 1.076 180 A HN 0.598 nan 8.150 nan 0.000 0.490 181 T N 1.006 115.585 114.554 0.042 0.000 2.875 181 T HA 0.481 4.733 4.350 -0.163 0.000 0.284 181 T C -0.508 174.218 174.700 0.044 0.000 0.995 181 T CA -0.174 61.945 62.100 0.032 0.000 1.060 181 T CB 0.217 69.104 68.868 0.031 0.000 0.967 181 T HN 0.476 nan 8.240 nan 0.000 0.476 182 L N 4.084 125.332 121.223 0.041 0.000 2.264 182 L HA 0.541 4.783 4.340 -0.163 0.000 0.287 182 L C 1.126 178.026 176.870 0.050 0.000 1.039 182 L CA -0.486 54.390 54.840 0.061 0.000 0.829 182 L CB 0.734 42.836 42.059 0.071 0.000 1.211 182 L HN 0.871 nan 8.230 nan 0.000 0.427 183 A N 3.125 125.974 122.820 0.048 0.000 2.016 183 A HA 0.111 4.333 4.320 -0.163 0.000 0.217 183 A C 0.836 178.440 177.584 0.033 0.000 1.162 183 A CA 1.171 53.230 52.037 0.037 0.000 0.662 183 A CB 0.082 19.103 19.000 0.034 0.000 0.812 183 A HN 0.627 nan 8.150 nan 0.000 0.450 184 T N -1.039 113.535 114.554 0.034 0.000 3.033 184 T HA 0.377 4.629 4.350 -0.163 0.000 0.362 184 T C -2.370 172.336 174.700 0.009 0.000 1.723 184 T CA -0.615 61.501 62.100 0.026 0.000 1.110 184 T CB 1.001 69.876 68.868 0.012 0.000 1.515 184 T HN 0.276 nan 8.240 nan 0.000 0.484 185 E N 2.365 122.574 120.200 0.014 0.000 2.176 185 E HA 0.487 4.739 4.350 -0.163 0.000 0.267 185 E C -0.803 175.718 176.600 -0.131 0.000 0.893 185 E CA -0.927 55.426 56.400 -0.078 0.000 0.761 185 E CB 1.339 31.059 29.700 0.034 0.000 1.133 185 E HN 0.358 nan 8.360 nan 0.000 0.409 186 E N 2.455 122.491 120.200 -0.274 0.000 2.151 186 E HA 0.249 4.502 4.350 -0.163 0.000 0.275 186 E C -1.168 175.220 176.600 -0.355 0.000 0.936 186 E CA -0.561 55.728 56.400 -0.185 0.000 0.777 186 E CB 1.208 30.848 29.700 -0.099 0.000 1.108 186 E HN 0.455 nan 8.360 nan 0.000 0.401 187 Y N 1.077 121.420 120.300 0.072 0.000 2.345 187 Y HA 0.258 4.725 4.550 -0.138 0.000 0.331 187 Y C 0.491 176.458 175.900 0.111 0.000 0.959 187 Y CA -0.958 57.200 58.100 0.096 0.000 1.204 187 Y CB 1.416 39.919 38.460 0.071 0.000 1.135 187 Y HN 0.245 nan 8.280 nan 0.000 0.477 188 V N 1.520 121.596 119.914 0.270 0.000 3.096 188 V HA 0.818 4.841 4.120 -0.163 0.000 0.319 188 V C -2.917 173.322 176.094 0.241 0.000 1.082 188 V CA -3.099 59.347 62.300 0.244 0.000 1.022 188 V CB 1.946 33.930 31.823 0.268 0.000 1.103 188 V HN 0.402 nan 8.190 nan 0.000 0.455 189 P HA 0.628 nan 4.420 nan 0.000 0.282 189 P C -0.658 176.732 177.300 0.150 0.000 1.259 189 P CA -0.141 63.042 63.100 0.140 0.000 0.826 189 P CB 1.530 33.291 31.700 0.101 0.000 1.064 194 D N 1.813 122.143 120.400 -0.117 0.000 2.545 194 D HA 0.475 5.017 4.640 -0.163 0.000 0.227 194 D C -0.360 175.848 176.300 -0.154 0.000 1.150 194 D CA 0.027 53.864 54.000 -0.273 0.000 1.046 194 D CB -0.106 40.478 40.800 -0.359 0.000 1.098 194 D HN 0.264 nan 8.370 nan 0.000 0.502 195 F N -0.552 119.324 119.950 -0.125 0.000 2.691 195 F HA 0.293 4.702 4.527 -0.196 0.000 0.334 195 F C 1.687 177.432 175.800 -0.092 0.000 1.107 195 F CA -1.415 56.536 58.000 -0.082 0.000 0.991 195 F CB 1.328 40.303 39.000 -0.042 0.000 1.400 195 F HN -0.118 nan 8.300 nan 0.000 0.503 196 T N 0.891 115.710 114.554 0.441 0.000 2.698 196 T HA -0.019 4.234 4.350 -0.163 0.000 0.260 196 T C 1.839 176.481 174.700 -0.097 0.000 1.044 196 T CA 1.729 63.880 62.100 0.084 0.000 1.149 196 T CB -0.357 68.511 68.868 0.000 0.000 0.864 196 T HN 0.532 nan 8.240 nan 0.000 0.419 197 A N 1.098 123.794 122.820 -0.207 0.000 1.933 197 A HA -0.062 4.160 4.320 -0.163 0.000 0.218 197 A C 2.516 180.019 177.584 -0.134 0.000 1.175 197 A CA 1.491 53.428 52.037 -0.167 0.000 0.628 197 A CB -1.026 17.858 19.000 -0.193 0.000 0.814 197 A HN 0.368 nan 8.150 nan 0.000 0.444 198 V N -0.110 119.741 119.914 -0.106 0.000 2.233 198 V HA -0.191 3.832 4.120 -0.163 0.000 0.247 198 V C 2.627 178.596 176.094 -0.208 0.000 1.050 198 V CA 1.989 64.229 62.300 -0.101 0.000 1.010 198 V CB -1.589 30.210 31.823 -0.040 0.000 0.637 198 V HN 0.580 nan 8.190 nan 0.000 0.444 199 G N -1.372 107.253 108.800 -0.292 0.000 2.956 199 G HA2 -0.107 3.755 3.960 -0.163 0.000 0.207 199 G HA3 -0.107 3.755 3.960 -0.163 0.000 0.207 199 G C 1.355 175.640 174.900 -1.025 0.000 1.162 199 G CA 0.608 45.332 45.100 -0.626 0.000 0.796 199 G HN 0.539 nan 8.290 nan 0.000 0.527 200 Q N -0.339 119.160 119.800 -0.502 0.000 2.390 200 Q HA 0.259 4.501 4.340 -0.163 0.000 0.216 200 Q C 2.439 178.310 176.000 -0.216 0.000 0.916 200 Q CA 0.182 55.800 55.803 -0.308 0.000 0.911 200 Q CB 0.038 28.709 28.738 -0.112 0.000 1.035 200 Q HN 0.300 nan 8.270 nan 0.000 0.541 201 R N -0.560 119.825 120.500 -0.191 0.000 2.096 201 R HA -0.086 4.156 4.340 -0.163 0.000 0.235 201 R C 1.607 177.823 176.300 -0.140 0.000 1.127 201 R CA 1.157 57.182 56.100 -0.125 0.000 0.968 201 R CB -0.142 30.100 30.300 -0.097 0.000 0.861 201 R HN 0.230 nan 8.270 nan 0.000 0.440 202 L N -0.771 120.314 121.223 -0.230 0.000 2.072 202 L HA -0.071 4.171 4.340 -0.163 0.000 0.205 202 L C 1.766 178.563 176.870 -0.120 0.000 1.079 202 L CA 1.610 56.328 54.840 -0.202 0.000 0.752 202 L CB -0.681 41.207 42.059 -0.285 0.000 0.906 202 L HN 0.095 nan 8.230 nan 0.000 0.436 203 F N 0.107 119.921 119.950 -0.227 0.000 2.146 203 F HA -0.150 4.339 4.527 -0.063 0.000 0.298 203 F C 2.258 177.804 175.800 -0.423 0.000 1.096 203 F CA 0.780 58.501 58.000 -0.465 0.000 1.275 203 F CB -1.215 37.261 39.000 -0.873 0.000 1.008 203 F HN 0.165 nan 8.300 nan 0.000 0.480 204 D N -0.227 120.107 120.400 -0.109 0.000 2.350 204 D HA -0.016 4.526 4.640 -0.163 0.000 0.216 204 D C 2.128 178.405 176.300 -0.039 0.000 0.968 204 D CA 0.975 54.931 54.000 -0.074 0.000 0.894 204 D CB -0.222 40.553 40.800 -0.042 0.000 0.909 204 D HN 0.256 nan 8.370 nan 0.000 0.520 205 A N -0.411 122.387 122.820 -0.036 0.000 1.997 205 A HA 0.141 4.364 4.320 -0.163 0.000 0.212 205 A C 2.049 179.637 177.584 0.006 0.000 1.178 205 A CA 0.231 52.261 52.037 -0.012 0.000 0.698 205 A CB -0.012 18.978 19.000 -0.016 0.000 0.842 205 A HN 0.175 nan 8.150 nan 0.000 0.458 206 L N -1.445 119.784 121.223 0.010 0.000 2.515 206 L HA 0.090 4.332 4.340 -0.163 0.000 0.223 206 L C 1.979 178.870 176.870 0.036 0.000 1.079 206 L CA 0.156 55.016 54.840 0.034 0.000 0.857 206 L CB -0.191 41.904 42.059 0.059 0.000 1.050 206 L HN 0.253 nan 8.230 nan 0.000 0.476 207 K N 0.735 121.143 120.400 0.015 0.000 1.984 207 K HA -0.292 3.930 4.320 -0.163 0.000 0.234 207 K C 0.925 177.570 176.600 0.076 0.000 0.986 207 K CA 2.346 58.664 56.287 0.052 0.000 1.041 207 K CB -0.175 32.354 32.500 0.049 0.000 0.708 207 K HN 0.138 nan 8.250 nan 0.000 0.493 208 D N 0.614 121.051 120.400 0.060 0.000 2.328 208 D HA 0.059 4.601 4.640 -0.163 0.000 0.221 208 D C -0.285 176.040 176.300 0.043 0.000 1.072 208 D CA 0.313 54.347 54.000 0.056 0.000 0.850 208 D CB 0.187 41.017 40.800 0.051 0.000 0.922 208 D HN 0.169 nan 8.370 nan 0.000 0.516 209 K N 1.325 121.750 120.400 0.042 0.000 2.336 209 K HA 0.232 4.454 4.320 -0.163 0.000 0.262 209 K C -2.187 174.435 176.600 0.036 0.000 0.992 209 K CA -0.731 55.578 56.287 0.037 0.000 0.927 209 K CB 0.255 32.778 32.500 0.038 0.000 0.956 209 K HN -0.012 nan 8.250 nan 0.000 0.495 210 P HA 0.293 nan 4.420 nan 0.000 0.294 210 P C -0.333 176.986 177.300 0.032 0.000 1.325 210 P CA -0.777 62.341 63.100 0.030 0.000 0.978 210 P CB 1.981 33.696 31.700 0.025 0.000 1.288 211 G N 0.235 109.054 108.800 0.032 0.000 2.742 211 G HA2 0.082 3.945 3.960 -0.163 0.000 0.204 211 G HA3 0.082 3.945 3.960 -0.163 0.000 0.204 211 G C 0.493 175.411 174.900 0.030 0.000 1.126 211 G CA 0.220 45.337 45.100 0.029 0.000 0.829 211 G HN 0.378 nan 8.290 nan 0.000 0.574 215 I N 5.245 125.893 120.570 0.129 0.000 2.325 215 I HA 0.199 4.271 4.170 -0.163 0.000 0.291 215 I C -0.702 175.487 176.117 0.119 0.000 1.019 215 I CA -0.148 61.215 61.300 0.106 0.000 1.302 215 I CB 1.005 39.042 38.000 0.062 0.000 1.401 215 I HN 0.514 nan 8.210 nan 0.000 0.485 216 W N 8.123 129.359 121.300 -0.107 0.000 2.294 216 W HA 0.481 5.040 4.660 -0.168 0.000 0.314 216 W C -1.408 174.991 176.519 -0.201 0.000 1.044 216 W CA -0.586 56.649 57.345 -0.183 0.000 1.284 216 W CB 1.356 30.592 29.460 -0.374 0.000 1.231 216 W HN 0.125 nan 8.180 nan 0.000 0.419 217 V N 8.125 127.874 119.914 -0.275 0.000 2.546 217 V HA 0.283 4.306 4.120 -0.163 0.000 0.284 217 V C 0.304 176.333 176.094 -0.108 0.000 1.050 217 V CA -0.299 61.919 62.300 -0.137 0.000 0.981 217 V CB 1.594 33.334 31.823 -0.139 0.000 0.990 217 V HN 0.303 nan 8.190 nan 0.000 0.474 218 I N 5.061 125.685 120.570 0.090 0.000 2.448 218 I HA 0.437 4.509 4.170 -0.163 0.000 0.281 218 I C -0.631 175.656 176.117 0.284 0.000 1.027 218 I CA -0.143 61.242 61.300 0.142 0.000 1.111 218 I CB 1.202 39.275 38.000 0.121 0.000 1.236 218 I HN 0.599 nan 8.210 nan 0.000 0.452 219 W N 5.472 126.780 121.300 0.013 0.000 3.038 219 W HA 0.802 5.403 4.660 -0.099 0.000 0.347 219 W C -1.369 175.189 176.519 0.066 0.000 1.219 219 W CA -0.497 56.875 57.345 0.045 0.000 1.142 219 W CB 2.499 31.964 29.460 0.009 0.000 1.484 219 W HN 0.436 nan 8.180 nan 0.000 0.586 226 L N 1.071 122.124 121.223 -0.284 0.000 1.976 226 L HA -0.187 4.055 4.340 -0.163 0.000 0.223 226 L C 2.266 179.061 176.870 -0.124 0.000 1.081 226 L CA 2.860 57.597 54.840 -0.171 0.000 0.784 226 L CB -1.769 40.200 42.059 -0.149 0.000 0.896 226 L HN 0.235 nan 8.230 nan 0.000 0.438 227 T N -0.368 114.108 114.554 -0.130 0.000 2.607 227 T HA -0.230 4.023 4.350 -0.163 0.000 0.267 227 T C 1.899 176.552 174.700 -0.078 0.000 1.049 227 T CA 1.565 63.608 62.100 -0.094 0.000 1.162 227 T CB -0.128 68.679 68.868 -0.101 0.000 0.863 227 T HN 0.236 nan 8.240 nan 0.000 0.424 228 K N 0.533 120.866 120.400 -0.112 0.000 2.103 228 K HA -0.020 4.203 4.320 -0.163 0.000 0.207 228 K C 2.213 178.801 176.600 -0.021 0.000 1.048 228 K CA 0.803 57.038 56.287 -0.088 0.000 0.930 228 K CB -0.653 31.757 32.500 -0.151 0.000 0.716 228 K HN 0.212 nan 8.250 nan 0.000 0.444 229 L N 1.521 122.725 121.223 -0.030 0.000 2.027 229 L HA -0.119 4.123 4.340 -0.163 0.000 0.206 229 L C 2.323 179.265 176.870 0.119 0.000 1.074 229 L CA 1.660 56.527 54.840 0.045 0.000 0.745 229 L CB -0.747 41.308 42.059 -0.007 0.000 0.898 229 L HN 0.118 nan 8.230 nan 0.000 0.433 230 Q N -0.162 119.668 119.800 0.049 0.000 2.291 230 Q HA -0.082 4.160 4.340 -0.163 0.000 0.206 230 Q C 0.314 176.340 176.000 0.042 0.000 0.976 230 Q CA 0.526 56.355 55.803 0.044 0.000 0.875 230 Q CB -0.439 28.300 28.738 0.001 0.000 0.927 230 Q HN 0.505 nan 8.270 nan 0.000 0.450 236 R N 0.257 120.591 120.500 -0.276 0.000 2.339 236 R HA 0.052 4.294 4.340 -0.163 0.000 0.199 236 R C 0.312 176.338 176.300 -0.456 0.000 1.018 236 R CA 0.843 56.720 56.100 -0.371 0.000 1.036 236 R CB -0.265 29.744 30.300 -0.485 0.000 0.899 236 R HN 0.178 nan 8.270 nan 0.000 0.473 237 Y N -0.389 119.803 120.300 -0.179 0.000 2.453 237 Y HA 0.327 4.781 4.550 -0.160 0.000 0.247 237 Y C 1.526 177.379 175.900 -0.078 0.000 1.124 237 Y CA 0.006 58.023 58.100 -0.138 0.000 1.243 237 Y CB 1.230 39.566 38.460 -0.206 0.000 1.213 237 Y HN 0.244 nan 8.280 nan 0.000 0.523 238 G N 1.055 109.882 108.800 0.045 0.000 2.141 238 G HA2 -0.269 3.593 3.960 -0.163 0.000 0.242 238 G HA3 -0.269 3.593 3.960 -0.163 0.000 0.242 238 G C 0.000 174.931 174.900 0.051 0.000 0.982 238 G CA 0.029 45.151 45.100 0.037 0.000 0.662 238 G HN 0.265 nan 8.290 nan 0.000 0.527 239 I N 0.804 121.411 120.570 0.062 0.000 2.396 239 I HA 0.462 4.534 4.170 -0.163 0.000 0.292 239 I C 0.412 176.568 176.117 0.066 0.000 0.999 239 I CA -0.479 60.868 61.300 0.079 0.000 1.310 239 I CB 1.202 39.274 38.000 0.121 0.000 1.404 239 I HN 0.128 nan 8.210 nan 0.000 0.496 240 E N 5.005 125.248 120.200 0.073 0.000 2.244 240 E HA 0.567 4.820 4.350 -0.163 0.000 0.266 240 E C -1.270 175.370 176.600 0.066 0.000 0.914 240 E CA -0.942 55.492 56.400 0.058 0.000 0.794 240 E CB 2.415 32.144 29.700 0.048 0.000 1.210 240 E HN 0.210 nan 8.360 nan 0.000 0.414 241 L N 0.867 122.111 121.223 0.035 0.000 2.400 241 L HA 0.191 4.433 4.340 -0.163 0.000 0.264 241 L C 1.386 178.226 176.870 -0.050 0.000 1.061 241 L CA 0.161 55.002 54.840 0.001 0.000 0.799 241 L CB 1.319 43.366 42.059 -0.021 0.000 1.240 241 L HN 0.603 nan 8.230 nan 0.000 0.461 242 S N -0.986 114.622 115.700 -0.154 0.000 2.603 242 S HA 0.033 4.406 4.470 -0.163 0.000 0.229 242 S C 0.607 175.023 174.600 -0.306 0.000 0.972 242 S CA 0.166 58.150 58.200 -0.360 0.000 0.935 242 S CB -0.339 62.365 63.200 -0.827 0.000 0.769 242 S HN 0.702 nan 8.310 nan 0.000 0.536 243 T N 1.310 115.759 114.554 -0.176 0.000 2.895 243 T HA 0.690 4.942 4.350 -0.163 0.000 0.283 243 T C 0.013 174.675 174.700 -0.064 0.000 1.014 243 T CA 0.307 62.336 62.100 -0.118 0.000 1.037 243 T CB 1.323 70.132 68.868 -0.098 0.000 1.006 243 T HN 0.703 nan 8.240 nan 0.000 0.468 244 G N 0.532 109.309 108.800 -0.039 0.000 2.392 244 G HA2 0.380 4.242 3.960 -0.163 0.000 0.677 244 G HA3 0.380 4.242 3.960 -0.163 0.000 0.677 244 G C -0.498 174.410 174.900 0.013 0.000 1.334 244 G CA -0.553 44.542 45.100 -0.008 0.000 0.961 244 G HN 0.918 nan 8.290 nan 0.000 0.616 245 G N -1.019 107.804 108.800 0.038 0.000 2.368 245 G HA2 0.650 4.512 3.960 -0.163 0.000 0.320 245 G HA3 0.650 4.512 3.960 -0.163 0.000 0.320 245 G C 0.320 175.270 174.900 0.083 0.000 1.158 245 G CA 0.304 45.446 45.100 0.071 0.000 0.912 245 G HN 1.737 nan 8.290 nan 0.000 0.456 246 N N 0.067 118.822 118.700 0.091 0.000 2.756 246 N HA -0.235 4.407 4.740 -0.163 0.000 0.248 246 N C 1.221 176.768 175.510 0.063 0.000 1.062 246 N CA 0.663 53.766 53.050 0.087 0.000 0.696 246 N CB -0.998 37.551 38.487 0.104 0.000 0.946 246 N HN 0.755 nan 8.380 nan 0.000 0.548 247 I N -3.675 116.929 120.570 0.057 0.000 3.251 247 I HA 0.115 4.187 4.170 -0.163 0.000 0.277 247 I C 0.331 176.458 176.117 0.018 0.000 1.268 247 I CA 0.494 61.820 61.300 0.044 0.000 1.449 247 I CB 0.180 38.212 38.000 0.052 0.000 1.083 247 I HN 0.099 nan 8.210 nan 0.000 0.464 248 L N 1.521 122.747 121.223 0.004 0.000 2.360 248 L HA 0.540 4.782 4.340 -0.163 0.000 0.271 248 L C -2.121 174.698 176.870 -0.085 0.000 1.057 248 L CA -2.066 52.700 54.840 -0.123 0.000 0.803 248 L CB 0.728 42.690 42.059 -0.161 0.000 1.207 248 L HN -0.157 nan 8.230 nan 0.000 0.445 249 P HA -0.041 nan 4.420 nan 0.000 0.265 249 P C -0.765 176.607 177.300 0.119 0.000 1.187 249 P CA -0.079 63.039 63.100 0.030 0.000 0.766 249 P CB 0.532 32.309 31.700 0.129 0.000 0.820 250 A N 4.249 127.130 122.820 0.102 0.000 3.077 250 A HA 0.275 4.497 4.320 -0.163 0.000 0.255 250 A C -0.120 177.526 177.584 0.103 0.000 1.728 250 A CA 0.055 52.148 52.037 0.094 0.000 1.383 250 A CB -1.278 17.752 19.000 0.050 0.000 1.097 250 A HN 0.449 nan 8.150 nan 0.000 0.634 251 L N 0.021 121.346 121.223 0.169 0.000 2.365 251 L HA 0.477 4.719 4.340 -0.163 0.000 0.273 251 L C 1.523 178.425 176.870 0.054 0.000 1.000 251 L CA -0.680 54.220 54.840 0.101 0.000 0.819 251 L CB 1.864 43.980 42.059 0.096 0.000 1.284 251 L HN 0.456 nan 8.230 nan 0.000 0.418 252 A N 2.465 125.283 122.820 -0.004 0.000 1.958 252 A HA -0.242 3.980 4.320 -0.163 0.000 0.221 252 A C 2.289 179.843 177.584 -0.051 0.000 1.178 252 A CA 2.248 54.274 52.037 -0.018 0.000 0.642 252 A CB -0.540 18.438 19.000 -0.036 0.000 0.816 252 A HN 0.931 nan 8.150 nan 0.000 0.453 253 A N -1.340 121.396 122.820 -0.140 0.000 1.917 253 A HA 0.046 4.268 4.320 -0.163 0.000 0.219 253 A C 1.234 178.665 177.584 -0.254 0.000 1.182 253 A CA 1.219 53.099 52.037 -0.262 0.000 0.633 253 A CB -0.600 18.136 19.000 -0.440 0.000 0.819 253 A HN 0.517 nan 8.150 nan 0.000 0.448 262 G N -1.207 107.660 108.800 0.111 0.000 2.911 262 G HA2 0.530 4.392 3.960 -0.163 0.000 0.686 262 G HA3 0.530 4.392 3.960 -0.163 0.000 0.686 262 G C 0.328 175.292 174.900 0.107 0.000 1.136 262 G CA 0.248 45.425 45.100 0.128 0.000 0.764 262 G HN 2.107 nan 8.290 nan 0.000 0.626 263 A N 1.607 124.484 122.820 0.095 0.000 2.425 263 A HA 0.762 4.984 4.320 -0.163 0.000 0.242 263 A C 1.012 178.532 177.584 -0.107 0.000 1.077 263 A CA 1.022 53.017 52.037 -0.070 0.000 0.781 263 A CB 0.367 19.221 19.000 -0.244 0.000 1.020 263 A HN 1.629 nan 8.150 nan 0.000 0.494 264 T N 1.733 116.171 114.554 -0.193 0.000 2.806 264 T HA 0.523 4.775 4.350 -0.163 0.000 0.290 264 T C -1.110 173.424 174.700 -0.278 0.000 0.966 264 T CA 0.585 62.630 62.100 -0.092 0.000 1.060 264 T CB 0.066 68.929 68.868 -0.008 0.000 0.927 264 T HN 0.389 nan 8.240 nan 0.000 0.485 265 Y N 1.371 121.695 120.300 0.040 0.000 2.425 265 Y HA 0.426 4.877 4.550 -0.164 0.000 0.344 265 Y C -0.476 175.371 175.900 -0.089 0.000 0.969 265 Y CA -1.430 56.605 58.100 -0.107 0.000 1.052 265 Y CB 1.442 39.676 38.460 -0.376 0.000 1.215 265 Y HN 0.697 nan 8.280 nan 0.000 0.451 266 Y N 3.616 123.895 120.300 -0.036 0.000 2.341 266 Y HA 0.513 4.965 4.550 -0.164 0.000 0.340 266 Y C -1.561 174.322 175.900 -0.028 0.000 0.997 266 Y CA -1.145 56.954 58.100 -0.002 0.000 1.149 266 Y CB 0.313 38.754 38.460 -0.031 0.000 1.171 266 Y HN 0.543 nan 8.280 nan 0.000 0.494 267 Y N 6.621 126.602 120.300 -0.531 0.000 2.334 267 Y HA 0.429 4.881 4.550 -0.164 0.000 0.328 267 Y C -0.778 174.734 175.900 -0.647 0.000 1.130 267 Y CA -0.399 57.431 58.100 -0.450 0.000 1.163 267 Y CB 1.004 39.320 38.460 -0.240 0.000 1.207 267 Y HN 0.634 nan 8.280 nan 0.000 0.471 268 Y N -0.909 119.188 120.300 -0.338 0.000 2.519 268 Y HA 0.564 5.016 4.550 -0.164 0.000 0.336 268 Y C -1.678 174.188 175.900 -0.056 0.000 1.089 268 Y CA -1.488 56.490 58.100 -0.203 0.000 1.025 268 Y CB 1.329 39.732 38.460 -0.096 0.000 1.318 268 Y HN 0.418 nan 8.280 nan 0.000 0.452 269 D N 3.969 124.375 120.400 0.011 0.000 2.163 269 D HA 0.482 5.025 4.640 -0.163 0.000 0.248 269 D C -0.523 175.791 176.300 0.024 0.000 1.035 269 D CA -0.148 53.824 54.000 -0.047 0.000 0.872 269 D CB 2.587 43.371 40.800 -0.027 0.000 1.183 269 D HN 0.455 nan 8.370 nan 0.000 0.445 270 I N 1.883 122.441 120.570 -0.019 0.000 2.465 270 I HA 0.242 4.315 4.170 -0.163 0.000 0.291 270 I C -2.190 173.922 176.117 -0.008 0.000 1.014 270 I CA -2.149 59.163 61.300 0.019 0.000 1.093 270 I CB 1.239 39.254 38.000 0.026 0.000 1.267 270 I HN -0.041 nan 8.210 nan 0.000 0.431 271 P HA 0.085 nan 4.420 nan 0.000 0.261 271 P C -0.104 177.184 177.300 -0.019 0.000 1.183 271 P CA 0.012 63.105 63.100 -0.012 0.000 0.761 271 P CB 0.540 32.234 31.700 -0.010 0.000 0.785 272 K N 2.846 123.234 120.400 -0.020 0.000 2.397 272 K HA 0.192 4.415 4.320 -0.163 0.000 0.265 272 K C 0.558 177.149 176.600 -0.015 0.000 0.982 272 K CA 0.453 56.728 56.287 -0.020 0.000 0.931 272 K CB 0.178 32.670 32.500 -0.014 0.000 0.943 272 K HN 0.699 nan 8.250 nan 0.000 0.501 273 N N 0.531 119.224 118.700 -0.013 0.000 3.355 273 N HA 0.191 4.833 4.740 -0.163 0.000 0.238 273 N C -2.877 172.642 175.510 0.015 0.000 1.466 273 N CA -1.237 51.810 53.050 -0.004 0.000 0.882 273 N CB 0.989 39.463 38.487 -0.022 0.000 1.406 273 N HN 0.059 nan 8.380 nan 0.000 0.500 274 P HA 0.109 nan 4.420 nan 0.000 0.220 274 P C 0.794 178.166 177.300 0.121 0.000 1.148 274 P CA 1.080 64.243 63.100 0.105 0.000 0.803 274 P CB 0.216 31.992 31.700 0.127 0.000 0.782 275 I N -1.728 118.820 120.570 -0.038 0.000 2.585 275 I HA -0.099 3.973 4.170 -0.163 0.000 0.254 275 I C 2.037 178.041 176.117 -0.189 0.000 1.129 275 I CA 0.583 61.731 61.300 -0.255 0.000 1.455 275 I CB -0.621 37.098 38.000 -0.468 0.000 1.111 275 I HN -0.101 nan 8.210 nan 0.000 0.433 276 N N 1.670 120.287 118.700 -0.138 0.000 2.027 276 N HA -0.247 4.395 4.740 -0.163 0.000 0.200 276 N C 1.702 177.197 175.510 -0.025 0.000 1.042 276 N CA 1.912 54.901 53.050 -0.101 0.000 0.871 276 N CB -0.367 38.082 38.487 -0.063 0.000 1.063 276 N HN 0.402 nan 8.380 nan 0.000 0.438 277 E N -0.701 119.519 120.200 0.033 0.000 2.049 277 E HA -0.229 4.023 4.350 -0.163 0.000 0.198 277 E C 1.913 178.586 176.600 0.122 0.000 1.007 277 E CA 1.304 57.745 56.400 0.068 0.000 0.809 277 E CB -0.367 29.389 29.700 0.092 0.000 0.749 277 E HN 0.495 nan 8.360 nan 0.000 0.450 278 W N 1.402 122.725 121.300 0.038 0.000 2.335 278 W HA -0.219 4.343 4.660 -0.163 0.000 0.311 278 W C 2.075 178.652 176.519 0.096 0.000 1.213 278 W CA 1.181 58.602 57.345 0.126 0.000 1.274 278 W CB -0.308 29.340 29.460 0.314 0.000 1.148 278 W HN 0.083 nan 8.180 nan 0.000 0.498 279 L N 0.339 121.741 121.223 0.298 0.000 1.948 279 L HA -0.193 4.050 4.340 -0.163 0.000 0.212 279 L C 2.382 179.277 176.870 0.042 0.000 1.074 279 L CA 2.286 57.225 54.840 0.167 0.000 0.753 279 L CB -1.624 40.394 42.059 -0.068 0.000 0.888 279 L HN -0.037 nan 8.230 nan 0.000 0.432 280 V N -0.288 119.627 119.914 0.001 0.000 2.324 280 V HA -0.368 3.654 4.120 -0.163 0.000 0.250 280 V C 2.513 178.605 176.094 -0.003 0.000 1.060 280 V CA 2.321 64.620 62.300 -0.001 0.000 1.042 280 V CB -1.083 30.724 31.823 -0.026 0.000 0.650 280 V HN 0.620 nan 8.190 nan 0.000 0.450 281 T N -0.833 113.686 114.554 -0.057 0.000 2.674 281 T HA -0.176 4.076 4.350 -0.163 0.000 0.265 281 T C 1.916 176.520 174.700 -0.160 0.000 1.039 281 T CA 1.493 63.534 62.100 -0.099 0.000 1.150 281 T CB -0.237 68.559 68.868 -0.120 0.000 0.864 281 T HN 0.442 nan 8.240 nan 0.000 0.427 282 E N 0.307 120.322 120.200 -0.308 0.000 2.072 282 E HA -0.112 4.141 4.350 -0.163 0.000 0.191 282 E C 2.124 178.611 176.600 -0.189 0.000 0.985 282 E CA 0.766 56.926 56.400 -0.400 0.000 0.801 282 E CB -0.441 28.720 29.700 -0.898 0.000 0.750 282 E HN 0.554 nan 8.360 nan 0.000 0.452 283 H N 0.848 119.863 119.070 -0.093 0.000 2.290 283 H HA -0.149 4.309 4.556 -0.163 0.000 0.298 283 H C 2.172 177.552 175.328 0.086 0.000 1.087 283 H CA 2.149 58.273 56.048 0.128 0.000 1.291 283 H CB 0.354 30.233 29.762 0.196 0.000 1.369 283 H HN 0.084 nan 8.280 nan 0.000 0.492 284 Q N 1.164 121.069 119.800 0.175 0.000 2.045 284 Q HA -0.158 4.084 4.340 -0.163 0.000 0.206 284 Q C 2.458 178.448 176.000 -0.017 0.000 0.991 284 Q CA 2.206 58.067 55.803 0.097 0.000 0.851 284 Q CB -0.249 28.519 28.738 0.050 0.000 0.911 284 Q HN 0.333 nan 8.270 nan 0.000 0.418 285 K N -0.625 119.723 120.400 -0.086 0.000 2.280 285 K HA -0.148 4.074 4.320 -0.163 0.000 0.202 285 K C 1.915 178.388 176.600 -0.211 0.000 1.047 285 K CA 1.084 57.293 56.287 -0.130 0.000 0.942 285 K CB 0.079 32.493 32.500 -0.143 0.000 0.739 285 K HN 0.123 nan 8.250 nan 0.000 0.457 286 R N -1.197 119.094 120.500 -0.349 0.000 2.075 286 R HA 0.036 4.278 4.340 -0.163 0.000 0.220 286 R C 1.317 177.217 176.300 -0.666 0.000 1.118 286 R CA 0.996 56.697 56.100 -0.664 0.000 0.986 286 R CB 0.096 29.700 30.300 -1.160 0.000 0.884 286 R HN 0.124 nan 8.270 nan 0.000 0.439 287 F N -0.159 119.703 119.950 -0.146 0.000 2.682 287 F HA 0.263 4.692 4.527 -0.163 0.000 0.308 287 F C 0.412 176.198 175.800 -0.024 0.000 1.093 287 F CA -0.627 57.301 58.000 -0.120 0.000 1.244 287 F CB 0.114 38.947 39.000 -0.278 0.000 1.052 287 F HN -0.048 nan 8.300 nan 0.000 0.573 288 N N 0.960 119.725 118.700 0.109 0.000 2.725 288 N HA -0.188 4.454 4.740 -0.163 0.000 0.249 288 N C -0.625 174.962 175.510 0.128 0.000 1.103 288 N CA 0.805 53.909 53.050 0.091 0.000 0.707 288 N CB -0.941 37.584 38.487 0.065 0.000 1.043 288 N HN 0.419 nan 8.380 nan 0.000 0.553 289 A N -1.383 121.556 122.820 0.200 0.000 2.605 289 A HA 0.687 4.910 4.320 -0.163 0.000 0.294 289 A C -2.841 174.903 177.584 0.268 0.000 1.062 289 A CA -0.933 51.221 52.037 0.196 0.000 0.682 289 A CB 1.684 20.802 19.000 0.197 0.000 1.278 289 A HN 0.029 nan 8.150 nan 0.000 0.410 290 P HA 0.383 nan 4.420 nan 0.000 0.272 290 P C -2.761 174.475 177.300 -0.108 0.000 1.240 290 P CA -0.920 62.209 63.100 0.048 0.000 0.791 290 P CB -0.351 31.341 31.700 -0.013 0.000 0.978 291 P HA 0.204 nan 4.420 nan 0.000 0.282 291 P C -0.478 176.692 177.300 -0.216 0.000 1.249 291 P CA -0.000 62.699 63.100 -0.667 0.000 0.806 291 P CB 0.435 31.831 31.700 -0.506 0.000 0.984 292 D N 1.185 121.535 120.400 -0.083 0.000 2.595 292 D HA 0.111 4.654 4.640 -0.163 0.000 0.268 292 D C 0.787 177.182 176.300 0.158 0.000 1.181 292 D CA -0.600 53.454 54.000 0.091 0.000 1.085 292 D CB -0.238 40.692 40.800 0.216 0.000 1.186 292 D HN 0.220 nan 8.370 nan 0.000 0.621 293 F N -0.356 119.634 119.950 0.066 0.000 2.134 293 F HA 0.013 4.444 4.527 -0.161 0.000 0.299 293 F C 1.761 177.453 175.800 -0.180 0.000 1.097 293 F CA 1.211 59.180 58.000 -0.053 0.000 1.264 293 F CB -0.287 38.575 39.000 -0.229 0.000 1.001 293 F HN 0.205 nan 8.300 nan 0.000 0.479 294 F N -0.327 119.634 119.950 0.017 0.000 2.456 294 F HA -0.072 4.357 4.527 -0.164 0.000 0.298 294 F C 2.395 178.187 175.800 -0.013 0.000 1.104 294 F CA 1.237 59.186 58.000 -0.085 0.000 1.435 294 F CB -0.992 38.046 39.000 0.064 0.000 1.078 294 F HN -0.152 nan 8.300 nan 0.000 0.546 295 T N -0.098 114.565 114.554 0.182 0.000 2.737 295 T HA -0.155 4.097 4.350 -0.163 0.000 0.265 295 T C 2.326 177.106 174.700 0.133 0.000 1.038 295 T CA 1.366 63.560 62.100 0.157 0.000 1.144 295 T CB -0.490 68.427 68.868 0.081 0.000 0.866 295 T HN 0.289 nan 8.240 nan 0.000 0.434 296 A N 1.160 123.999 122.820 0.030 0.000 2.015 296 A HA 0.173 4.395 4.320 -0.163 0.000 0.219 296 A C 2.536 180.120 177.584 -0.000 0.000 1.163 296 A CA 1.724 53.766 52.037 0.008 0.000 0.646 296 A CB -1.211 17.761 19.000 -0.048 0.000 0.806 296 A HN 0.507 nan 8.150 nan 0.000 0.448 297 G N -0.228 108.483 108.800 -0.148 0.000 2.421 297 G HA2 0.004 3.866 3.960 -0.163 0.000 0.216 297 G HA3 0.004 3.866 3.960 -0.163 0.000 0.216 297 G C 1.560 176.481 174.900 0.036 0.000 1.171 297 G CA 1.204 46.211 45.100 -0.155 0.000 0.775 297 G HN 0.666 nan 8.290 nan 0.000 0.543 298 G N 0.241 109.098 108.800 0.095 0.000 2.440 298 G HA2 -0.225 3.637 3.960 -0.163 0.000 0.218 298 G HA3 -0.225 3.637 3.960 -0.163 0.000 0.218 298 G C 1.642 176.623 174.900 0.134 0.000 1.154 298 G CA 0.867 46.036 45.100 0.116 0.000 0.767 298 G HN 0.321 nan 8.290 nan 0.000 0.552 299 F N 2.288 122.267 119.950 0.047 0.000 2.126 299 F HA -0.134 4.295 4.527 -0.163 0.000 0.299 299 F C 2.964 178.791 175.800 0.044 0.000 1.096 299 F CA 1.861 59.890 58.000 0.049 0.000 1.255 299 F CB -0.029 38.997 39.000 0.043 0.000 0.997 299 F HN 0.174 nan 8.300 nan 0.000 0.479 300 S N 0.172 116.051 115.700 0.300 0.000 2.371 300 S HA -0.075 4.297 4.470 -0.163 0.000 0.224 300 S C 2.354 177.079 174.600 0.208 0.000 1.029 300 S CA 0.721 59.097 58.200 0.294 0.000 0.978 300 S CB -0.961 62.388 63.200 0.249 0.000 0.833 300 S HN 0.461 nan 8.310 nan 0.000 0.466 301 A N 2.428 125.323 122.820 0.125 0.000 1.903 301 A HA 0.100 4.322 4.320 -0.163 0.000 0.219 301 A C 1.545 179.120 177.584 -0.014 0.000 1.191 301 A CA 1.520 53.590 52.037 0.055 0.000 0.638 301 A CB -1.282 17.747 19.000 0.048 0.000 0.823 301 A HN 0.610 nan 8.150 nan 0.000 0.451 305 V N 1.022 120.816 119.914 -0.199 0.000 2.287 305 V HA -0.248 3.774 4.120 -0.163 0.000 0.248 305 V C 2.511 178.537 176.094 -0.114 0.000 1.053 305 V CA 2.542 64.753 62.300 -0.147 0.000 1.027 305 V CB -0.796 30.965 31.823 -0.103 0.000 0.646 305 V HN 0.420 nan 8.190 nan 0.000 0.447 306 V N -0.153 119.706 119.914 -0.091 0.000 2.307 306 V HA -0.240 3.782 4.120 -0.163 0.000 0.245 306 V C 2.550 178.614 176.094 -0.050 0.000 1.045 306 V CA 2.496 64.758 62.300 -0.063 0.000 1.024 306 V CB -1.185 30.608 31.823 -0.050 0.000 0.651 306 V HN 0.624 nan 8.190 nan 0.000 0.449 307 T N 0.681 115.209 114.554 -0.043 0.000 2.759 307 T HA -0.172 4.080 4.350 -0.163 0.000 0.269 307 T C 2.074 176.746 174.700 -0.046 0.000 1.042 307 T CA 1.620 63.710 62.100 -0.017 0.000 1.140 307 T CB -0.450 68.439 68.868 0.034 0.000 0.864 307 T HN 0.567 nan 8.240 nan 0.000 0.455 308 A N 1.065 123.826 122.820 -0.098 0.000 1.877 308 A HA -0.028 4.194 4.320 -0.163 0.000 0.216 308 A C 2.558 180.094 177.584 -0.080 0.000 1.186 308 A CA 1.374 53.342 52.037 -0.115 0.000 0.620 308 A CB -0.922 17.960 19.000 -0.196 0.000 0.822 308 A HN 0.372 nan 8.150 nan 0.000 0.443 309 V N 0.155 120.025 119.914 -0.073 0.000 2.809 309 V HA -0.213 3.809 4.120 -0.163 0.000 0.256 309 V C 2.549 178.622 176.094 -0.035 0.000 1.080 309 V CA 1.917 64.186 62.300 -0.051 0.000 1.102 309 V CB -0.717 31.077 31.823 -0.048 0.000 0.705 309 V HN 0.772 nan 8.190 nan 0.000 0.475 310 Q N 0.519 120.300 119.800 -0.032 0.000 2.245 310 Q HA -0.221 4.022 4.340 -0.163 0.000 0.201 310 Q C 2.180 178.171 176.000 -0.016 0.000 0.955 310 Q CA 1.582 57.373 55.803 -0.020 0.000 0.870 310 Q CB 0.121 28.851 28.738 -0.014 0.000 0.945 310 Q HN 0.623 nan 8.270 nan 0.000 0.461 311 K N -0.214 120.174 120.400 -0.019 0.000 2.128 311 K HA 0.084 4.306 4.320 -0.163 0.000 0.202 311 K C 1.780 178.371 176.600 -0.016 0.000 1.050 311 K CA 1.096 57.376 56.287 -0.013 0.000 0.966 311 K CB -0.192 32.300 32.500 -0.012 0.000 0.759 311 K HN 0.170 nan 8.250 nan 0.000 0.454 312 A N 0.778 123.583 122.820 -0.025 0.000 1.968 312 A HA -0.014 4.208 4.320 -0.163 0.000 0.217 312 A C 0.243 177.817 177.584 -0.016 0.000 1.169 312 A CA 1.258 53.282 52.037 -0.022 0.000 0.638 312 A CB -0.198 18.783 19.000 -0.032 0.000 0.812 312 A HN 0.339 nan 8.150 nan 0.000 0.446 313 K N -0.532 119.858 120.400 -0.016 0.000 3.129 313 K HA -0.145 4.077 4.320 -0.163 0.000 0.273 313 K C -0.020 176.573 176.600 -0.011 0.000 1.123 313 K CA 1.110 57.389 56.287 -0.012 0.000 0.800 313 K CB -2.727 29.767 32.500 -0.008 0.000 1.238 313 K HN 1.295 nan 8.250 nan 0.000 0.492 314 S N -3.890 111.802 115.700 -0.014 0.000 2.627 314 S HA 0.486 4.859 4.470 -0.163 0.000 0.268 314 S C 0.327 174.919 174.600 -0.013 0.000 1.130 314 S CA -0.199 57.995 58.200 -0.011 0.000 0.819 314 S CB 1.565 64.761 63.200 -0.007 0.000 1.100 314 S HN 0.307 nan 8.310 nan 0.000 0.465 315 T N -2.406 112.144 114.554 -0.007 0.000 3.134 315 T HA 0.312 4.565 4.350 -0.163 0.000 0.260 315 T C -0.143 174.559 174.700 0.004 0.000 1.027 315 T CA 0.267 62.364 62.100 -0.004 0.000 0.913 315 T CB -0.577 68.291 68.868 0.000 0.000 1.046 315 T HN 0.710 nan 8.240 nan 0.000 0.553 316 D N 1.306 121.708 120.400 0.004 0.000 2.383 316 D HA 0.201 4.744 4.640 -0.163 0.000 0.252 316 D C 1.351 177.662 176.300 0.019 0.000 1.166 316 D CA 0.177 54.184 54.000 0.012 0.000 0.879 316 D CB 1.198 42.003 40.800 0.010 0.000 1.164 316 D HN -0.039 nan 8.370 nan 0.000 0.462 317 T N 3.085 117.662 114.554 0.038 0.000 2.620 317 T HA -0.214 4.039 4.350 -0.163 0.000 0.267 317 T C 1.412 176.143 174.700 0.051 0.000 1.044 317 T CA 1.383 63.525 62.100 0.069 0.000 1.161 317 T CB -0.138 68.811 68.868 0.135 0.000 0.862 317 T HN 0.511 nan 8.240 nan 0.000 0.438 318 E N 1.004 121.229 120.200 0.041 0.000 2.077 318 E HA -0.059 4.193 4.350 -0.163 0.000 0.193 318 E C 2.276 178.878 176.600 0.005 0.000 0.989 318 E CA 1.006 57.415 56.400 0.015 0.000 0.800 318 E CB -0.224 29.486 29.700 0.017 0.000 0.746 318 E HN 0.493 nan 8.360 nan 0.000 0.452 319 K N 0.376 120.778 120.400 0.004 0.000 2.283 319 K HA -0.011 4.211 4.320 -0.163 0.000 0.202 319 K C 2.270 178.860 176.600 -0.017 0.000 1.048 319 K CA 0.390 56.674 56.287 -0.004 0.000 0.948 319 K CB -0.003 32.494 32.500 -0.004 0.000 0.742 319 K HN 0.097 nan 8.250 nan 0.000 0.458 320 L N 0.499 121.710 121.223 -0.021 0.000 2.095 320 L HA -0.081 4.161 4.340 -0.163 0.000 0.204 320 L C 2.205 179.033 176.870 -0.069 0.000 1.080 320 L CA 0.826 55.632 54.840 -0.057 0.000 0.759 320 L CB -0.244 41.781 42.059 -0.057 0.000 0.914 320 L HN 0.091 nan 8.230 nan 0.000 0.439 321 I N -0.058 120.512 120.570 -0.000 0.000 2.286 321 I HA -0.291 3.782 4.170 -0.163 0.000 0.248 321 I C 2.739 178.885 176.117 0.050 0.000 1.115 321 I CA 1.130 62.478 61.300 0.081 0.000 1.392 321 I CB -0.465 37.581 38.000 0.076 0.000 1.065 321 I HN 0.219 nan 8.210 nan 0.000 0.418 322 A N 0.921 123.749 122.820 0.014 0.000 1.873 322 A HA 0.099 4.321 4.320 -0.163 0.000 0.215 322 A C 1.784 179.370 177.584 0.002 0.000 1.186 322 A CA 1.094 53.140 52.037 0.014 0.000 0.616 322 A CB -0.714 18.291 19.000 0.007 0.000 0.823 322 A HN 0.361 nan 8.150 nan 0.000 0.442 329 F N -0.492 119.386 119.950 -0.121 0.000 2.599 329 F HA 0.675 5.104 4.527 -0.163 0.000 0.311 329 F C -0.743 175.009 175.800 -0.081 0.000 1.076 329 F CA -1.075 56.871 58.000 -0.090 0.000 0.937 329 F CB 1.240 40.181 39.000 -0.097 0.000 1.282 329 F HN 0.065 nan 8.300 nan 0.000 0.460 330 D N 1.540 121.938 120.400 -0.003 0.000 2.210 330 D HA 0.471 5.013 4.640 -0.163 0.000 0.249 330 D C -0.007 176.273 176.300 -0.033 0.000 1.078 330 D CA 0.365 54.319 54.000 -0.076 0.000 0.875 330 D CB 2.043 42.848 40.800 0.008 0.000 1.175 330 D HN 0.896 nan 8.370 nan 0.000 0.440 331 T N -1.411 113.070 114.554 -0.122 0.000 2.716 331 T HA 0.473 4.725 4.350 -0.163 0.000 0.286 331 T C -2.429 172.184 174.700 -0.144 0.000 1.052 331 T CA -1.537 60.532 62.100 -0.053 0.000 1.024 331 T CB 1.828 70.653 68.868 -0.071 0.000 1.349 331 T HN -0.124 nan 8.240 nan 0.000 0.525 332 P HA 0.191 nan 4.420 nan 0.000 0.237 332 P C 0.661 177.873 177.300 -0.146 0.000 1.178 332 P CA 0.550 63.483 63.100 -0.278 0.000 0.766 332 P CB 0.100 31.572 31.700 -0.380 0.000 0.876 333 K N -0.393 119.943 120.400 -0.107 0.000 2.373 333 K HA 0.354 4.577 4.320 -0.163 0.000 0.202 333 K C 0.548 177.099 176.600 -0.081 0.000 1.025 333 K CA 0.279 56.530 56.287 -0.060 0.000 1.115 333 K CB 0.167 32.652 32.500 -0.025 0.000 0.858 333 K HN 0.110 nan 8.250 nan 0.000 0.525 334 G N 1.327 110.059 108.800 -0.113 0.000 2.396 334 G HA2 -0.215 3.648 3.960 -0.163 0.000 0.254 334 G HA3 -0.215 3.648 3.960 -0.163 0.000 0.254 334 G C -1.370 173.417 174.900 -0.189 0.000 1.248 334 G CA -0.478 44.550 45.100 -0.120 0.000 1.033 334 G HN 0.238 nan 8.290 nan 0.000 0.502 338 F N 5.138 125.216 119.950 0.213 0.000 2.424 338 F HA 0.573 5.003 4.527 -0.163 0.000 0.356 338 F C 0.797 176.680 175.800 0.138 0.000 1.110 338 F CA -0.077 58.044 58.000 0.202 0.000 1.161 338 F CB 0.886 40.016 39.000 0.216 0.000 1.115 338 F HN 0.468 nan 8.300 nan 0.000 0.507 339 R N 3.370 124.065 120.500 0.325 0.000 2.401 339 R HA 0.039 4.281 4.340 -0.163 0.000 0.299 339 R C 1.564 177.995 176.300 0.218 0.000 1.064 339 R CA -0.055 56.171 56.100 0.210 0.000 1.000 339 R CB 0.577 30.973 30.300 0.160 0.000 0.973 339 R HN 0.791 nan 8.270 nan 0.000 0.438 340 K N 3.251 123.752 120.400 0.169 0.000 2.097 340 K HA -0.211 4.011 4.320 -0.163 0.000 0.206 340 K C 1.463 178.173 176.600 0.183 0.000 1.049 340 K CA 1.518 57.905 56.287 0.166 0.000 0.933 340 K CB 0.076 32.645 32.500 0.115 0.000 0.717 340 K HN 0.622 nan 8.250 nan 0.000 0.442 341 E N 0.937 121.207 120.200 0.117 0.000 2.077 341 E HA -0.189 4.063 4.350 -0.163 0.000 0.193 341 E C 0.589 177.206 176.600 0.027 0.000 0.989 341 E CA 1.786 58.221 56.400 0.060 0.000 0.800 341 E CB 0.092 29.817 29.700 0.042 0.000 0.746 341 E HN 0.645 nan 8.360 nan 0.000 0.452 342 D N -2.872 117.568 120.400 0.068 0.000 2.527 342 D HA -0.005 4.537 4.640 -0.163 0.000 0.224 342 D C -0.214 176.123 176.300 0.060 0.000 1.217 342 D CA -0.251 53.753 54.000 0.008 0.000 0.819 342 D CB -0.743 40.070 40.800 0.021 0.000 1.061 342 D HN 0.282 nan 8.370 nan 0.000 0.515 343 H N -0.717 118.290 119.070 -0.105 0.000 2.862 343 H HA -0.186 4.272 4.556 -0.163 0.000 0.290 343 H C -0.371 175.012 175.328 0.093 0.000 1.211 343 H CA 0.454 56.374 56.048 -0.214 0.000 1.140 343 H CB -1.067 28.235 29.762 -0.768 0.000 1.341 343 H HN 0.264 nan 8.280 nan 0.000 0.392 344 Q N 0.781 120.768 119.800 0.313 0.000 2.230 344 Q HA 0.671 4.914 4.340 -0.163 0.000 0.253 344 Q C -0.720 175.548 176.000 0.447 0.000 0.919 344 Q CA 0.004 56.004 55.803 0.328 0.000 0.908 344 Q CB 1.435 30.285 28.738 0.188 0.000 1.245 344 Q HN 0.378 nan 8.270 nan 0.000 0.437 345 A N 4.808 127.869 122.820 0.402 0.000 2.320 345 A HA 0.608 4.831 4.320 -0.163 0.000 0.287 345 A C -0.987 176.638 177.584 0.069 0.000 1.181 345 A CA -0.436 51.709 52.037 0.179 0.000 0.831 345 A CB 0.035 19.101 19.000 0.111 0.000 1.102 345 A HN 0.756 nan 8.150 nan 0.000 0.513 346 L N 1.234 122.457 121.223 0.000 0.000 2.333 346 L HA 0.449 4.691 4.340 -0.163 0.000 0.269 346 L C 0.160 176.974 176.870 -0.093 0.000 1.010 346 L CA -1.103 53.727 54.840 -0.017 0.000 0.818 346 L CB 1.819 43.887 42.059 0.015 0.000 1.306 346 L HN 0.811 nan 8.230 nan 0.000 0.430 347 Q N 1.428 121.182 119.800 -0.076 0.000 2.289 347 Q HA 0.133 4.375 4.340 -0.163 0.000 0.273 347 Q C -0.111 175.818 176.000 -0.118 0.000 1.029 347 Q CA 0.527 56.265 55.803 -0.109 0.000 0.896 347 Q CB 1.170 29.870 28.738 -0.064 0.000 1.182 347 Q HN 0.600 nan 8.270 nan 0.000 0.385 351 H N 2.317 121.507 119.070 0.201 0.000 2.551 351 H HA 0.491 4.949 4.556 -0.163 0.000 0.321 351 H C -1.277 174.038 175.328 -0.022 0.000 1.028 351 H CA -0.662 55.460 56.048 0.122 0.000 1.215 351 H CB 0.717 30.512 29.762 0.055 0.000 1.414 351 H HN 0.383 nan 8.280 nan 0.000 0.480 352 F N 2.525 122.565 119.950 0.149 0.000 2.492 352 F HA 0.342 4.772 4.527 -0.163 0.000 0.327 352 F C 0.635 176.477 175.800 0.071 0.000 1.079 352 F CA -0.885 57.164 58.000 0.082 0.000 0.967 352 F CB 1.990 41.019 39.000 0.049 0.000 1.169 352 F HN 0.367 nan 8.300 nan 0.000 0.472 353 K N 0.910 121.430 120.400 0.199 0.000 2.350 353 K HA 0.872 5.094 4.320 -0.163 0.000 0.241 353 K C -1.953 174.720 176.600 0.122 0.000 0.994 353 K CA -1.029 55.336 56.287 0.130 0.000 0.839 353 K CB 2.567 35.110 32.500 0.071 0.000 1.244 353 K HN 0.478 nan 8.250 nan 0.000 0.443 354 V N 1.043 121.008 119.914 0.086 0.000 2.709 354 V HA 0.363 4.385 4.120 -0.163 0.000 0.308 354 V C -1.348 174.775 176.094 0.048 0.000 1.062 354 V CA -0.876 61.464 62.300 0.066 0.000 0.901 354 V CB 1.928 33.786 31.823 0.059 0.000 1.003 354 V HN 0.854 nan 8.190 nan 0.000 0.425 355 K N 4.016 124.440 120.400 0.040 0.000 2.234 355 K HA 0.460 4.682 4.320 -0.163 0.000 0.277 355 K C 0.540 177.160 176.600 0.033 0.000 1.038 355 K CA -0.128 56.178 56.287 0.032 0.000 0.888 355 K CB 1.627 34.142 32.500 0.025 0.000 1.091 355 K HN 0.683 nan 8.250 nan 0.000 0.467 356 V N 0.260 120.195 119.914 0.034 0.000 3.471 356 V HA 0.026 4.049 4.120 -0.163 0.000 0.258 356 V C 0.985 177.106 176.094 0.045 0.000 1.192 356 V CA 0.611 62.934 62.300 0.040 0.000 1.116 356 V CB -0.085 31.760 31.823 0.038 0.000 0.792 356 V HN 0.677 nan 8.190 nan 0.000 0.459 357 D N 2.164 122.587 120.400 0.039 0.000 2.177 357 D HA -0.136 4.406 4.640 -0.163 0.000 0.189 357 D C -0.225 176.110 176.300 0.059 0.000 1.002 357 D CA 2.779 56.804 54.000 0.043 0.000 0.845 357 D CB -1.750 39.070 40.800 0.033 0.000 0.960 357 D HN 0.410 nan 8.370 nan 0.000 0.447 358 P HA -0.202 nan 4.420 nan 0.000 0.215 358 P C 1.161 178.527 177.300 0.110 0.000 1.163 358 P CA 2.296 65.431 63.100 0.058 0.000 0.894 358 P CB -0.141 31.571 31.700 0.020 0.000 0.791 359 A N -0.980 121.904 122.820 0.106 0.000 1.933 359 A HA -0.141 4.081 4.320 -0.163 0.000 0.218 359 A C 2.344 180.055 177.584 0.211 0.000 1.175 359 A CA 1.811 53.953 52.037 0.176 0.000 0.628 359 A CB -1.616 17.458 19.000 0.124 0.000 0.814 359 A HN 0.058 nan 8.150 nan 0.000 0.444 360 V N -0.299 119.692 119.914 0.127 0.000 2.323 360 V HA -0.166 3.856 4.120 -0.163 0.000 0.244 360 V C 3.036 179.187 176.094 0.096 0.000 1.041 360 V CA 1.653 64.006 62.300 0.089 0.000 1.025 360 V CB -1.194 30.663 31.823 0.056 0.000 0.656 360 V HN 0.589 nan 8.190 nan 0.000 0.451 361 A N -0.294 122.593 122.820 0.112 0.000 1.986 361 A HA -0.294 3.928 4.320 -0.163 0.000 0.220 361 A C 2.120 179.809 177.584 0.175 0.000 1.171 361 A CA 2.092 54.197 52.037 0.114 0.000 0.640 361 A CB -0.792 18.272 19.000 0.107 0.000 0.811 361 A HN 0.819 nan 8.150 nan 0.000 0.451 362 W N 0.338 121.639 121.300 0.002 0.000 2.413 362 W HA -0.089 4.473 4.660 -0.163 0.000 0.315 362 W C 2.314 178.833 176.519 0.001 0.000 1.186 362 W CA 1.334 58.680 57.345 0.001 0.000 1.326 362 W CB -0.359 29.102 29.460 0.002 0.000 1.153 362 W HN 0.399 nan 8.180 nan 0.000 0.489 363 A N 1.053 123.787 122.820 -0.142 0.000 1.997 363 A HA -0.262 3.961 4.320 -0.163 0.000 0.221 363 A C 2.042 179.480 177.584 -0.245 0.000 1.172 363 A CA 3.121 54.982 52.037 -0.292 0.000 0.645 363 A CB -1.383 17.556 19.000 -0.102 0.000 0.813 363 A HN 0.412 nan 8.150 nan 0.000 0.454 364 V N -1.255 118.579 119.914 -0.133 0.000 2.256 364 V HA 0.072 4.095 4.120 -0.163 0.000 0.240 364 V C 1.721 177.735 176.094 -0.133 0.000 1.036 364 V CA 0.998 63.235 62.300 -0.104 0.000 1.008 364 V CB -1.442 30.355 31.823 -0.044 0.000 0.648 364 V HN 0.600 nan 8.190 nan 0.000 0.453 365 L N 0.000 121.161 121.223 -0.104 0.000 2.949 365 L HA 0.000 4.242 4.340 -0.163 0.000 0.249 365 L CA 0.000 54.781 54.840 -0.098 0.000 0.813 365 L CB 0.000 42.065 42.059 0.010 0.000 0.961 365 L HN 0.000 nan 8.230 nan 0.000 0.502