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 2nrb_1_D DATA FIRST_RESID 1 DATA SEQUENCE TKFYTDAVEA VKDIPNGATV LVGGFGLSGI PENLIGALLK TGVKELTAVS DATA SEQUENCE NNAGVDNFGL GLLLQSKQIK RMISSYVGEN AEFERQYLAG ELEVELTPQG DATA SEQUENCE TLAERIRAGG AGVPAFYTST GYGTLVQEGG SPIKYNKDGS IAIASKPREV DATA SEQUENCE REFNGQHFIL EEAIRGDFAL VKAWKADQAG NVTFRKSARN FNLPMCKAAE DATA SEQUENCE TTVVEVEEIV DIGSFAPEDI HIPKIYVHRL VKGEKYEKRI ERLSVRKEXX DATA SEQUENCE XXXXXXXXXD NVRERIIKRA ALEFEDGMYA NLGIGIPLLA SNFISPNMTV DATA SEQUENCE HLQSENGILG LGPYPLQNEV DADLINAGKE TVTVLPGASY FSSDESFAMI DATA SEQUENCE RGGHVNLTML GAMQVSKYGD LANWMIPGKL VKGMGGAMDL VSSAKTKVVV DATA SEQUENCE TMEHSAKGNA HKIMEKCTLP LTGKQCVNRI ITEKAVFDVD RKKGLTLIEL DATA SEQUENCE WEGLTVDDIK KSTGCDFAVS PKLIPMQQVT 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 1 T HA 0.000 nan 4.350 nan 0.000 0.228 1 T C 0.000 174.715 174.700 0.026 0.000 1.109 1 T CA 0.000 62.105 62.100 0.009 0.000 1.349 1 T CB 0.000 68.778 68.868 -0.151 0.000 0.612 2 K N 2.343 122.739 120.400 -0.007 0.000 2.185 2 K HA 0.684 5.004 4.320 0.000 0.000 0.269 2 K C -1.148 175.411 176.600 -0.068 0.000 0.987 2 K CA -0.622 55.681 56.287 0.027 0.000 0.865 2 K CB 0.585 33.087 32.500 0.003 0.000 1.090 2 K HN 0.369 nan 8.250 nan 0.000 0.450 3 F N 3.212 123.125 119.950 -0.062 0.000 2.397 3 F HA 0.369 4.896 4.527 -0.000 0.000 0.331 3 F C -0.288 175.431 175.800 -0.135 0.000 1.090 3 F CA -0.179 57.827 58.000 0.011 0.000 1.065 3 F CB 0.766 39.768 39.000 0.005 0.000 1.184 3 F HN 0.427 nan 8.300 nan 0.000 0.499 4 Y N -0.812 119.594 120.300 0.176 0.000 2.598 4 Y HA 0.373 4.923 4.550 0.000 0.000 0.340 4 Y C 0.987 176.959 175.900 0.120 0.000 1.038 4 Y CA -0.777 57.396 58.100 0.121 0.000 1.100 4 Y CB 1.991 40.498 38.460 0.077 0.000 1.281 4 Y HN 0.583 nan 8.280 nan 0.000 0.488 5 T N -3.919 110.786 114.554 0.252 0.000 2.985 5 T HA 0.198 4.548 4.350 0.000 0.000 0.254 5 T C -0.356 174.428 174.700 0.141 0.000 1.021 5 T CA 0.109 62.306 62.100 0.163 0.000 0.957 5 T CB 0.132 69.063 68.868 0.105 0.000 1.047 5 T HN 0.467 nan 8.240 nan 0.000 0.511 6 D N 0.285 120.788 120.400 0.171 0.000 2.549 6 D HA 0.700 5.340 4.640 0.000 0.000 0.251 6 D C 1.196 177.535 176.300 0.065 0.000 1.153 6 D CA -0.207 53.855 54.000 0.104 0.000 0.861 6 D CB 1.604 42.458 40.800 0.090 0.000 1.207 6 D HN 0.063 nan 8.370 nan 0.000 0.543 7 A N 2.770 125.601 122.820 0.018 0.000 1.927 7 A HA -0.191 4.129 4.320 0.000 0.000 0.220 7 A C 2.063 179.601 177.584 -0.077 0.000 1.185 7 A CA 1.795 53.809 52.037 -0.038 0.000 0.639 7 A CB -0.726 18.251 19.000 -0.039 0.000 0.820 7 A HN 0.521 nan 8.150 nan 0.000 0.451 8 V N 0.124 120.010 119.914 -0.047 0.000 2.407 8 V HA -0.216 3.904 4.120 0.000 0.000 0.248 8 V C 2.552 178.608 176.094 -0.063 0.000 1.055 8 V CA 2.110 64.376 62.300 -0.057 0.000 1.049 8 V CB -0.718 31.085 31.823 -0.032 0.000 0.662 8 V HN 0.519 nan 8.190 nan 0.000 0.455 9 E N 0.395 120.583 120.200 -0.020 0.000 2.110 9 E HA -0.171 4.179 4.350 0.000 0.000 0.193 9 E C 2.339 178.849 176.600 -0.151 0.000 0.988 9 E CA 1.499 57.917 56.400 0.029 0.000 0.804 9 E CB -0.484 29.335 29.700 0.199 0.000 0.745 9 E HN 0.591 nan 8.360 nan 0.000 0.458 10 A N 0.796 123.358 122.820 -0.430 0.000 2.015 10 A HA -0.094 4.226 4.320 0.000 0.000 0.219 10 A C 2.246 179.620 177.584 -0.349 0.000 1.163 10 A CA 1.659 53.191 52.037 -0.842 0.000 0.646 10 A CB -0.124 18.433 19.000 -0.738 0.000 0.806 10 A HN 0.198 nan 8.150 nan 0.000 0.448 11 V N -2.571 117.208 119.914 -0.224 0.000 3.477 11 V HA 0.122 4.242 4.120 0.000 0.000 0.297 11 V C 1.587 177.547 176.094 -0.224 0.000 1.433 11 V CA 0.762 62.929 62.300 -0.222 0.000 1.052 11 V CB -0.472 31.227 31.823 -0.207 0.000 0.895 11 V HN 0.612 nan 8.190 nan 0.000 0.438 12 K N 2.520 122.837 120.400 -0.138 0.000 2.362 12 K HA -0.199 4.121 4.320 0.000 0.000 0.202 12 K C 1.119 177.657 176.600 -0.104 0.000 1.045 12 K CA 2.082 58.310 56.287 -0.099 0.000 0.936 12 K CB -0.548 31.927 32.500 -0.041 0.000 0.747 12 K HN 0.664 nan 8.250 nan 0.000 0.467 13 D N 0.978 121.310 120.400 -0.113 0.000 2.358 13 D HA 0.059 4.699 4.640 0.000 0.000 0.224 13 D C 0.268 176.450 176.300 -0.196 0.000 1.123 13 D CA -0.355 53.604 54.000 -0.068 0.000 0.833 13 D CB -0.219 40.625 40.800 0.072 0.000 0.946 13 D HN 0.259 nan 8.370 nan 0.000 0.505 14 I N 2.676 122.969 120.570 -0.463 0.000 2.533 14 I HA 0.105 4.275 4.170 0.000 0.000 0.284 14 I C -1.833 174.131 176.117 -0.256 0.000 1.109 14 I CA -1.510 59.386 61.300 -0.673 0.000 1.412 14 I CB 0.792 38.340 38.000 -0.753 0.000 1.396 14 I HN -0.166 nan 8.210 nan 0.000 0.543 15 P HA 0.136 nan 4.420 nan 0.000 0.277 15 P C -0.969 176.306 177.300 -0.042 0.000 1.240 15 P CA -0.596 62.483 63.100 -0.036 0.000 0.798 15 P CB 0.611 32.331 31.700 0.034 0.000 0.979 16 N N 0.612 119.292 118.700 -0.034 0.000 2.407 16 N HA 0.138 4.878 4.740 0.000 0.000 0.250 16 N C 1.686 177.189 175.510 -0.013 0.000 1.236 16 N CA 1.625 54.657 53.050 -0.030 0.000 0.879 16 N CB -0.250 38.223 38.487 -0.023 0.000 1.088 16 N HN 0.810 nan 8.380 nan 0.000 0.450 17 G N -0.325 108.467 108.800 -0.013 0.000 2.253 17 G HA2 -0.277 3.683 3.960 0.000 0.000 0.251 17 G HA3 -0.277 3.683 3.960 0.000 0.000 0.251 17 G C 0.364 175.273 174.900 0.013 0.000 0.998 17 G CA 0.421 45.521 45.100 -0.001 0.000 0.621 17 G HN 0.956 nan 8.290 nan 0.000 0.524 18 A N 0.128 122.961 122.820 0.021 0.000 2.547 18 A HA 0.516 4.836 4.320 0.000 0.000 0.233 18 A C 0.758 178.376 177.584 0.057 0.000 1.067 18 A CA 1.617 53.691 52.037 0.062 0.000 0.763 18 A CB 0.171 19.224 19.000 0.089 0.000 1.007 18 A HN 0.866 nan 8.150 nan 0.000 0.506 19 T N 1.792 116.395 114.554 0.081 0.000 2.744 19 T HA 0.485 4.835 4.350 0.000 0.000 0.291 19 T C -0.435 174.324 174.700 0.098 0.000 0.957 19 T CA -0.163 61.974 62.100 0.063 0.000 1.002 19 T CB 0.495 69.393 68.868 0.051 0.000 0.919 19 T HN 0.456 nan 8.240 nan 0.000 0.468 20 V N 5.788 125.746 119.914 0.073 0.000 2.407 20 V HA 0.389 4.509 4.120 0.000 0.000 0.291 20 V C 0.019 176.145 176.094 0.053 0.000 1.018 20 V CA -0.979 61.377 62.300 0.093 0.000 0.842 20 V CB 1.403 33.262 31.823 0.059 0.000 0.996 20 V HN 0.757 nan 8.190 nan 0.000 0.426 21 L N 5.222 126.482 121.223 0.062 0.000 2.319 21 L HA 0.514 4.854 4.340 0.000 0.000 0.280 21 L C -0.469 176.420 176.870 0.031 0.000 1.099 21 L CA -0.387 54.474 54.840 0.035 0.000 0.828 21 L CB 1.141 43.226 42.059 0.044 0.000 1.150 21 L HN 0.378 nan 8.230 nan 0.000 0.442 22 V N 2.649 122.563 119.914 -0.000 0.000 2.376 22 V HA 0.412 4.532 4.120 0.000 0.000 0.287 22 V C 0.806 176.894 176.094 -0.009 0.000 1.015 22 V CA -0.649 61.650 62.300 -0.002 0.000 0.834 22 V CB 1.218 33.026 31.823 -0.025 0.000 1.001 22 V HN 0.912 nan 8.190 nan 0.000 0.428 23 G N 2.629 111.450 108.800 0.035 0.000 2.684 23 G HA2 0.582 4.542 3.960 0.000 0.000 0.255 23 G HA3 0.582 4.542 3.960 0.000 0.000 0.255 23 G C 0.330 175.259 174.900 0.050 0.000 1.219 23 G CA 0.456 45.594 45.100 0.063 0.000 0.901 23 G HN 1.697 nan 8.290 nan 0.000 0.548 24 G N -2.100 106.761 108.800 0.102 0.000 2.484 24 G HA2 0.402 4.362 3.960 0.000 0.000 0.685 24 G HA3 0.402 4.362 3.960 0.000 0.000 0.685 24 G C -1.209 173.792 174.900 0.169 0.000 1.294 24 G CA -0.283 44.885 45.100 0.114 0.000 0.879 24 G HN 1.493 nan 8.290 nan 0.000 0.646 25 F N 2.217 122.205 119.950 0.063 0.000 2.659 25 F HA 0.605 5.132 4.527 0.000 0.000 0.342 25 F C 0.922 176.762 175.800 0.066 0.000 1.168 25 F CA 1.370 59.421 58.000 0.085 0.000 1.003 25 F CB 1.104 40.186 39.000 0.137 0.000 1.267 25 F HN 2.340 nan 8.300 nan 0.000 0.463 26 G N 4.767 113.323 108.800 -0.406 0.000 2.561 26 G HA2 -0.311 3.649 3.960 0.000 0.000 0.289 26 G HA3 -0.311 3.649 3.960 0.000 0.000 0.289 26 G C 0.292 175.177 174.900 -0.026 0.000 1.169 26 G CA 0.219 45.195 45.100 -0.206 0.000 0.980 26 G HN 0.791 nan 8.290 nan 0.000 0.550 27 L N 1.803 123.059 121.223 0.055 0.000 2.700 27 L HA 0.370 4.710 4.340 0.000 0.000 0.234 27 L C 1.383 178.332 176.870 0.132 0.000 1.156 27 L CA 0.644 55.557 54.840 0.121 0.000 0.946 27 L CB 0.193 42.349 42.059 0.162 0.000 1.216 27 L HN 0.625 nan 8.230 nan 0.000 0.493 28 S N -0.406 115.371 115.700 0.128 0.000 2.480 28 S HA 0.557 5.027 4.470 0.000 0.000 0.286 28 S C 0.993 175.665 174.600 0.119 0.000 1.180 28 S CA 0.171 58.443 58.200 0.120 0.000 1.075 28 S CB 1.557 64.832 63.200 0.124 0.000 0.996 28 S HN 0.418 nan 8.310 nan 0.000 0.487 29 G N 2.497 111.352 108.800 0.093 0.000 2.225 29 G HA2 -0.215 3.745 3.960 0.000 0.000 0.264 29 G HA3 -0.215 3.745 3.960 0.000 0.000 0.264 29 G C -0.118 174.850 174.900 0.114 0.000 1.060 29 G CA 0.273 45.433 45.100 0.100 0.000 0.833 29 G HN 1.493 nan 8.290 nan 0.000 0.498 30 I N -1.916 118.726 120.570 0.120 0.000 2.353 30 I HA 0.605 4.775 4.170 0.000 0.000 0.293 30 I C -1.876 174.313 176.117 0.120 0.000 0.992 30 I CA -3.206 58.151 61.300 0.094 0.000 1.268 30 I CB 1.721 39.756 38.000 0.059 0.000 1.387 30 I HN -0.089 nan 8.210 nan 0.000 0.478 31 P HA 0.046 nan 4.420 nan 0.000 0.237 31 P C 0.315 177.634 177.300 0.032 0.000 1.788 31 P CA -0.046 63.118 63.100 0.105 0.000 1.061 31 P CB 0.065 31.811 31.700 0.075 0.000 1.967 32 E N 1.562 121.788 120.200 0.043 0.000 2.150 32 E HA -0.190 4.160 4.350 0.000 0.000 0.193 32 E C 1.054 177.580 176.600 -0.124 0.000 0.985 32 E CA 0.733 57.071 56.400 -0.103 0.000 0.814 32 E CB -0.438 29.221 29.700 -0.069 0.000 0.752 32 E HN 0.238 nan 8.360 nan 0.000 0.466 33 N N 1.123 119.757 118.700 -0.110 0.000 2.135 33 N HA -0.052 4.688 4.740 0.000 0.000 0.186 33 N C 2.171 177.633 175.510 -0.081 0.000 1.027 33 N CA 1.071 54.039 53.050 -0.136 0.000 0.849 33 N CB -0.118 38.260 38.487 -0.181 0.000 1.002 33 N HN 0.248 nan 8.380 nan 0.000 0.425 34 L N 1.115 122.312 121.223 -0.043 0.000 2.083 34 L HA -0.080 4.260 4.340 0.000 0.000 0.209 34 L C 2.310 179.138 176.870 -0.070 0.000 1.083 34 L CA 0.839 55.651 54.840 -0.046 0.000 0.752 34 L CB -0.386 41.664 42.059 -0.014 0.000 0.899 34 L HN 0.106 nan 8.230 nan 0.000 0.433 35 I N 0.007 120.529 120.570 -0.081 0.000 2.286 35 I HA -0.192 3.978 4.170 0.000 0.000 0.248 35 I C 2.568 178.619 176.117 -0.111 0.000 1.115 35 I CA 1.356 62.592 61.300 -0.106 0.000 1.392 35 I CB -0.701 37.210 38.000 -0.149 0.000 1.065 35 I HN 0.289 nan 8.210 nan 0.000 0.418 36 G N 0.411 109.144 108.800 -0.113 0.000 2.408 36 G HA2 -0.188 3.772 3.960 0.000 0.000 0.217 36 G HA3 -0.188 3.772 3.960 0.000 0.000 0.217 36 G C 1.870 176.725 174.900 -0.075 0.000 1.150 36 G CA 0.737 45.781 45.100 -0.094 0.000 0.776 36 G HN 0.474 nan 8.290 nan 0.000 0.542 37 A N 0.905 123.680 122.820 -0.076 0.000 1.902 37 A HA 0.063 4.383 4.320 0.000 0.000 0.217 37 A C 2.308 179.845 177.584 -0.078 0.000 1.181 37 A CA 1.136 53.130 52.037 -0.072 0.000 0.623 37 A CB -0.423 18.530 19.000 -0.078 0.000 0.818 37 A HN 0.275 nan 8.150 nan 0.000 0.443 38 L N -0.529 120.641 121.223 -0.088 0.000 2.187 38 L HA -0.155 4.185 4.340 0.000 0.000 0.213 38 L C 2.385 179.209 176.870 -0.076 0.000 1.100 38 L CA 1.425 56.209 54.840 -0.092 0.000 0.765 38 L CB -1.185 40.817 42.059 -0.094 0.000 0.904 38 L HN 0.428 nan 8.230 nan 0.000 0.437 39 L N -0.956 120.226 121.223 -0.067 0.000 2.179 39 L HA -0.172 4.168 4.340 0.000 0.000 0.208 39 L C 2.505 179.347 176.870 -0.046 0.000 1.096 39 L CA 0.896 55.703 54.840 -0.054 0.000 0.779 39 L CB -0.181 41.849 42.059 -0.049 0.000 0.922 39 L HN 0.223 nan 8.230 nan 0.000 0.443 40 K N -0.565 119.807 120.400 -0.047 0.000 2.076 40 K HA -0.084 4.236 4.320 0.000 0.000 0.204 40 K C 2.128 178.703 176.600 -0.042 0.000 1.051 40 K CA 1.710 57.973 56.287 -0.039 0.000 0.949 40 K CB -0.199 32.279 32.500 -0.035 0.000 0.726 40 K HN 0.381 nan 8.250 nan 0.000 0.443 41 T N -1.947 112.573 114.554 -0.055 0.000 2.867 41 T HA -0.030 4.320 4.350 0.000 0.000 0.268 41 T C 1.642 176.309 174.700 -0.054 0.000 1.057 41 T CA 1.093 63.157 62.100 -0.059 0.000 1.136 41 T CB -0.400 68.418 68.868 -0.084 0.000 0.874 41 T HN 0.384 nan 8.240 nan 0.000 0.466 42 G N 0.699 109.466 108.800 -0.054 0.000 2.148 42 G HA2 -0.244 3.716 3.960 0.000 0.000 0.254 42 G HA3 -0.244 3.716 3.960 0.000 0.000 0.254 42 G C 0.271 175.140 174.900 -0.052 0.000 0.981 42 G CA 0.186 45.258 45.100 -0.047 0.000 0.670 42 G HN 0.978 nan 8.290 nan 0.000 0.528 43 V N 0.907 120.780 119.914 -0.067 0.000 2.901 43 V HA 0.516 4.636 4.120 0.000 0.000 0.307 43 V C 0.746 176.805 176.094 -0.060 0.000 1.084 43 V CA 1.311 63.568 62.300 -0.072 0.000 1.184 43 V CB 0.810 32.570 31.823 -0.106 0.000 0.941 43 V HN 0.758 nan 8.190 nan 0.000 0.493 44 K N 2.884 123.255 120.400 -0.050 0.000 2.367 44 K HA 0.566 4.886 4.320 0.000 0.000 0.272 44 K C -0.197 176.382 176.600 -0.034 0.000 1.046 44 K CA -0.572 55.690 56.287 -0.041 0.000 0.895 44 K CB 1.240 33.719 32.500 -0.035 0.000 1.512 44 K HN 0.439 nan 8.250 nan 0.000 0.433 45 E N 0.432 120.614 120.200 -0.031 0.000 2.791 45 E HA -0.179 4.171 4.350 0.000 0.000 0.271 45 E C -0.599 175.987 176.600 -0.024 0.000 1.044 45 E CA 0.399 56.784 56.400 -0.026 0.000 0.814 45 E CB -1.592 28.096 29.700 -0.019 0.000 1.400 45 E HN 0.346 nan 8.360 nan 0.000 0.423 46 L N 0.309 121.515 121.223 -0.029 0.000 2.452 46 L HA 0.176 4.516 4.340 0.000 0.000 0.267 46 L C 0.814 177.672 176.870 -0.019 0.000 1.188 46 L CA 0.477 55.303 54.840 -0.023 0.000 0.821 46 L CB 0.613 42.653 42.059 -0.032 0.000 1.102 46 L HN -0.049 nan 8.230 nan 0.000 0.470 47 T N 2.226 116.775 114.554 -0.008 0.000 2.947 47 T HA 0.455 4.805 4.350 0.000 0.000 0.337 47 T C -0.001 174.696 174.700 -0.006 0.000 1.139 47 T CA -0.445 61.649 62.100 -0.009 0.000 0.992 47 T CB 0.897 69.764 68.868 -0.000 0.000 1.043 47 T HN 0.637 nan 8.240 nan 0.000 0.498 48 A N 3.590 126.401 122.820 -0.016 0.000 2.302 48 A HA 0.573 4.893 4.320 0.000 0.000 0.295 48 A C 0.217 177.783 177.584 -0.031 0.000 1.235 48 A CA -0.481 51.544 52.037 -0.020 0.000 0.876 48 A CB 0.264 19.249 19.000 -0.025 0.000 1.133 48 A HN 0.637 nan 8.150 nan 0.000 0.533 49 V N 3.327 123.222 119.914 -0.031 0.000 2.339 49 V HA 0.486 4.606 4.120 0.000 0.000 0.261 49 V C 0.440 176.474 176.094 -0.099 0.000 1.058 49 V CA 0.257 62.526 62.300 -0.053 0.000 0.897 49 V CB 0.426 32.236 31.823 -0.021 0.000 1.052 49 V HN 0.874 nan 8.190 nan 0.000 0.480 50 S N 3.582 119.189 115.700 -0.155 0.000 2.566 50 S HA 0.317 4.787 4.470 0.000 0.000 0.273 50 S C 0.746 175.153 174.600 -0.321 0.000 1.157 50 S CA -0.662 57.406 58.200 -0.220 0.000 0.938 50 S CB 1.516 64.633 63.200 -0.138 0.000 1.087 50 S HN 0.730 nan 8.310 nan 0.000 0.474 51 N N 4.154 122.536 118.700 -0.531 0.000 2.094 51 N HA -0.072 4.668 4.740 0.000 0.000 0.191 51 N C 0.176 175.504 175.510 -0.303 0.000 1.023 51 N CA 2.000 54.725 53.050 -0.543 0.000 0.857 51 N CB -0.064 38.010 38.487 -0.688 0.000 1.013 51 N HN 0.726 nan 8.380 nan 0.000 0.426 52 N N -2.327 116.203 118.700 -0.283 0.000 2.761 52 N HA 0.599 5.339 4.740 0.000 0.000 0.283 52 N C -1.364 174.009 175.510 -0.228 0.000 1.377 52 N CA -0.430 52.456 53.050 -0.272 0.000 0.791 52 N CB 1.548 39.867 38.487 -0.280 0.000 1.540 52 N HN 0.059 nan 8.380 nan 0.000 0.539 53 A N 0.150 122.821 122.820 -0.249 0.000 3.041 53 A HA 0.677 4.997 4.320 0.000 0.000 0.307 53 A C 1.033 178.564 177.584 -0.089 0.000 1.116 53 A CA 0.086 52.042 52.037 -0.135 0.000 1.001 53 A CB -1.278 17.675 19.000 -0.078 0.000 1.112 53 A HN 0.933 nan 8.150 nan 0.000 0.556 54 G N -0.108 108.640 108.800 -0.088 0.000 2.672 54 G HA2 -0.149 3.811 3.960 0.000 0.000 0.324 54 G HA3 -0.149 3.811 3.960 0.000 0.000 0.324 54 G C 0.621 175.517 174.900 -0.007 0.000 1.286 54 G CA 1.640 46.727 45.100 -0.022 0.000 1.004 54 G HN 1.995 nan 8.290 nan 0.000 0.548 55 V N -3.348 116.600 119.914 0.057 0.000 3.156 55 V HA 0.784 4.904 4.120 0.000 0.000 0.311 55 V C 1.120 177.257 176.094 0.071 0.000 1.208 55 V CA 0.699 63.030 62.300 0.052 0.000 1.063 55 V CB 1.258 33.123 31.823 0.071 0.000 1.098 55 V HN 0.594 nan 8.190 nan 0.000 0.452 56 D N 1.559 121.997 120.400 0.063 0.000 2.157 56 D HA -0.197 4.443 4.640 0.000 0.000 0.191 56 D C 1.197 177.545 176.300 0.080 0.000 1.004 56 D CA 2.818 56.859 54.000 0.068 0.000 0.854 56 D CB -0.270 40.562 40.800 0.054 0.000 0.936 56 D HN 0.946 nan 8.370 nan 0.000 0.446 57 N N -1.560 117.203 118.700 0.105 0.000 2.214 57 N HA 0.173 4.913 4.740 0.000 0.000 0.214 57 N C -0.612 175.054 175.510 0.261 0.000 1.132 57 N CA -0.225 52.906 53.050 0.135 0.000 0.856 57 N CB 0.360 38.912 38.487 0.108 0.000 1.020 57 N HN 0.096 nan 8.380 nan 0.000 0.509 58 F N -0.329 119.623 119.950 0.003 0.000 2.685 58 F HA 0.656 5.183 4.527 0.000 0.000 0.315 58 F C 1.084 176.885 175.800 0.001 0.000 1.126 58 F CA 0.214 58.216 58.000 0.003 0.000 0.950 58 F CB 1.162 40.166 39.000 0.006 0.000 1.360 58 F HN 0.174 nan 8.300 nan 0.000 0.469 59 G N 2.422 110.872 108.800 -0.582 0.000 2.582 59 G HA2 -0.311 3.649 3.960 0.000 0.000 0.288 59 G HA3 -0.311 3.649 3.960 0.000 0.000 0.288 59 G C 0.694 175.475 174.900 -0.199 0.000 1.247 59 G CA 0.104 45.009 45.100 -0.326 0.000 0.972 59 G HN 0.950 nan 8.290 nan 0.000 0.557 60 L N 2.216 123.375 121.223 -0.107 0.000 2.189 60 L HA -0.064 4.276 4.340 0.000 0.000 0.214 60 L C 3.079 179.928 176.870 -0.034 0.000 1.097 60 L CA 3.237 58.036 54.840 -0.069 0.000 0.764 60 L CB -1.686 40.342 42.059 -0.051 0.000 0.900 60 L HN 0.984 nan 8.230 nan 0.000 0.436 61 G N -0.263 108.530 108.800 -0.012 0.000 2.450 61 G HA2 -0.273 3.687 3.960 0.000 0.000 0.220 61 G HA3 -0.273 3.687 3.960 0.000 0.000 0.220 61 G C 1.733 176.639 174.900 0.010 0.000 1.130 61 G CA 0.742 45.859 45.100 0.029 0.000 0.760 61 G HN 0.404 nan 8.290 nan 0.000 0.557 62 L N -0.184 121.024 121.223 -0.026 0.000 2.013 62 L HA -0.085 4.255 4.340 0.000 0.000 0.212 62 L C 2.803 179.653 176.870 -0.032 0.000 1.073 62 L CA 0.967 55.788 54.840 -0.033 0.000 0.753 62 L CB -0.348 41.657 42.059 -0.090 0.000 0.890 62 L HN 0.215 nan 8.230 nan 0.000 0.432 63 L N -0.857 120.339 121.223 -0.045 0.000 2.465 63 L HA -0.160 4.180 4.340 0.000 0.000 0.224 63 L C 2.269 179.122 176.870 -0.028 0.000 1.145 63 L CA 0.468 55.283 54.840 -0.041 0.000 0.834 63 L CB -0.271 41.758 42.059 -0.050 0.000 0.944 63 L HN 0.320 nan 8.230 nan 0.000 0.451 64 L N -1.017 120.198 121.223 -0.013 0.000 2.162 64 L HA -0.116 4.224 4.340 0.000 0.000 0.205 64 L C 2.546 179.408 176.870 -0.013 0.000 1.086 64 L CA 0.879 55.713 54.840 -0.011 0.000 0.778 64 L CB -0.247 41.828 42.059 0.026 0.000 0.928 64 L HN 0.278 nan 8.230 nan 0.000 0.446 65 Q N -0.088 119.711 119.800 -0.002 0.000 2.124 65 Q HA -0.172 4.168 4.340 0.000 0.000 0.202 65 Q C 2.010 178.004 176.000 -0.009 0.000 0.977 65 Q CA 1.904 57.707 55.803 0.000 0.000 0.850 65 Q CB 0.024 28.768 28.738 0.010 0.000 0.901 65 Q HN 0.503 nan 8.270 nan 0.000 0.429 66 S N -0.521 115.170 115.700 -0.016 0.000 2.671 66 S HA 0.124 4.594 4.470 0.000 0.000 0.220 66 S C 0.222 174.807 174.600 -0.025 0.000 0.951 66 S CA -0.082 58.106 58.200 -0.020 0.000 0.932 66 S CB 0.219 63.404 63.200 -0.025 0.000 0.777 66 S HN 0.150 nan 8.310 nan 0.000 0.508 67 K N 0.769 121.152 120.400 -0.027 0.000 2.975 67 K HA -0.222 4.098 4.320 0.000 0.000 0.257 67 K C 0.643 177.221 176.600 -0.035 0.000 1.005 67 K CA 1.056 57.323 56.287 -0.033 0.000 0.738 67 K CB -2.338 30.144 32.500 -0.029 0.000 1.236 67 K HN 0.676 nan 8.250 nan 0.000 0.483 68 Q N -0.553 119.225 119.800 -0.037 0.000 2.444 68 Q HA 0.166 4.506 4.340 0.000 0.000 0.206 68 Q C 0.100 176.075 176.000 -0.041 0.000 0.948 68 Q CA 0.432 56.211 55.803 -0.040 0.000 0.946 68 Q CB 0.356 29.068 28.738 -0.044 0.000 1.027 68 Q HN 0.431 nan 8.270 nan 0.000 0.513 69 I N 0.536 121.080 120.570 -0.043 0.000 2.389 69 I HA 0.132 4.302 4.170 0.000 0.000 0.288 69 I C 0.753 176.838 176.117 -0.053 0.000 0.999 69 I CA -0.321 60.952 61.300 -0.045 0.000 1.129 69 I CB 1.746 39.721 38.000 -0.042 0.000 1.288 69 I HN -0.063 nan 8.210 nan 0.000 0.444 70 K N 5.560 125.933 120.400 -0.045 0.000 2.137 70 K HA 0.135 4.455 4.320 0.000 0.000 0.202 70 K C 0.716 177.283 176.600 -0.055 0.000 1.052 70 K CA 0.766 57.026 56.287 -0.045 0.000 0.961 70 K CB 0.563 33.045 32.500 -0.031 0.000 0.741 70 K HN 0.576 nan 8.250 nan 0.000 0.452 71 R N 0.182 120.652 120.500 -0.049 0.000 2.626 71 R HA 0.268 4.608 4.340 0.000 0.000 0.274 71 R C -1.493 174.784 176.300 -0.039 0.000 1.031 71 R CA -0.646 55.423 56.100 -0.052 0.000 0.898 71 R CB 1.302 31.581 30.300 -0.035 0.000 1.222 71 R HN -0.008 nan 8.270 nan 0.000 0.455 72 M N 5.197 124.776 119.600 -0.036 0.000 2.364 72 M HA 0.447 4.927 4.480 0.000 0.000 0.334 72 M C -0.699 175.589 176.300 -0.021 0.000 1.107 72 M CA -0.562 54.738 55.300 -0.001 0.000 0.988 72 M CB 1.700 34.368 32.600 0.114 0.000 1.673 72 M HN 0.548 nan 8.290 nan 0.000 0.441 73 I N 2.301 122.849 120.570 -0.037 0.000 2.464 73 I HA 0.383 4.553 4.170 0.000 0.000 0.277 73 I C -0.474 175.591 176.117 -0.087 0.000 1.040 73 I CA -0.099 61.172 61.300 -0.047 0.000 1.153 73 I CB 1.091 39.070 38.000 -0.035 0.000 1.274 73 I HN 0.607 nan 8.210 nan 0.000 0.469 74 S N 1.909 117.554 115.700 -0.092 0.000 2.651 74 S HA 0.349 4.819 4.470 0.000 0.000 0.279 74 S C 0.551 175.094 174.600 -0.096 0.000 1.148 74 S CA -0.598 57.518 58.200 -0.140 0.000 0.837 74 S CB 2.075 65.169 63.200 -0.176 0.000 1.138 74 S HN 0.660 nan 8.310 nan 0.000 0.478 75 S N -0.354 115.297 115.700 -0.081 0.000 2.497 75 S HA 0.280 4.750 4.470 0.000 0.000 0.218 75 S C -0.213 174.450 174.600 0.106 0.000 1.023 75 S CA 0.049 58.254 58.200 0.007 0.000 0.913 75 S CB -0.069 63.158 63.200 0.045 0.000 0.800 75 S HN 0.738 nan 8.310 nan 0.000 0.505 76 Y N -0.255 119.973 120.300 -0.120 0.000 2.442 76 Y HA 0.579 5.129 4.550 0.000 0.000 0.330 76 Y C -0.887 174.865 175.900 -0.247 0.000 1.100 76 Y CA -1.120 56.909 58.100 -0.117 0.000 1.034 76 Y CB 1.973 40.394 38.460 -0.065 0.000 1.285 76 Y HN -0.124 nan 8.280 nan 0.000 0.440 77 V N 6.229 125.528 119.914 -1.025 0.000 2.925 77 V HA 0.491 4.611 4.120 0.000 0.000 0.361 77 V C 0.551 176.052 176.094 -0.988 0.000 1.361 77 V CA 0.575 62.240 62.300 -1.059 0.000 1.184 77 V CB -0.363 30.609 31.823 -1.420 0.000 1.245 77 V HN 1.005 nan 8.190 nan 0.000 0.575 78 G N -0.194 107.860 108.800 -1.243 0.000 2.588 78 G HA2 0.423 4.383 3.960 0.000 0.000 0.278 78 G HA3 0.423 4.383 3.960 0.000 0.000 0.278 78 G C 0.306 175.033 174.900 -0.288 0.000 1.307 78 G CA 0.278 45.029 45.100 -0.581 0.000 1.016 78 G HN 0.499 nan 8.290 nan 0.000 0.503 79 E N -1.651 118.492 120.200 -0.095 0.000 3.065 79 E HA -0.181 4.169 4.350 0.000 0.000 0.277 79 E C 0.125 176.703 176.600 -0.037 0.000 1.008 79 E CA 1.238 57.618 56.400 -0.034 0.000 0.864 79 E CB -1.218 28.482 29.700 -0.000 0.000 1.439 79 E HN 0.412 nan 8.360 nan 0.000 0.445 80 N N -1.007 117.663 118.700 -0.051 0.000 2.648 80 N HA 0.475 5.215 4.740 0.000 0.000 0.261 80 N C 0.575 176.140 175.510 0.092 0.000 1.138 80 N CA 0.594 53.656 53.050 0.020 0.000 0.804 80 N CB 0.806 39.300 38.487 0.012 0.000 1.237 80 N HN 0.073 nan 8.380 nan 0.000 0.532 81 A N 2.128 124.991 122.820 0.072 0.000 1.908 81 A HA -0.170 4.150 4.320 0.000 0.000 0.218 81 A C 1.839 179.480 177.584 0.095 0.000 1.181 81 A CA 1.580 53.662 52.037 0.075 0.000 0.627 81 A CB -0.247 18.780 19.000 0.045 0.000 0.818 81 A HN 0.631 nan 8.150 nan 0.000 0.445 82 E N -0.762 119.492 120.200 0.091 0.000 2.106 82 E HA -0.152 4.198 4.350 0.000 0.000 0.192 82 E C 1.590 178.248 176.600 0.096 0.000 0.984 82 E CA 1.297 57.741 56.400 0.072 0.000 0.806 82 E CB -0.494 29.239 29.700 0.055 0.000 0.750 82 E HN 0.549 nan 8.360 nan 0.000 0.458 83 F N 1.424 121.375 119.950 0.001 0.000 2.075 83 F HA -0.091 4.436 4.527 0.000 0.000 0.297 83 F C 2.125 177.961 175.800 0.060 0.000 1.113 83 F CA 2.055 60.056 58.000 0.000 0.000 1.218 83 F CB -0.446 38.527 39.000 -0.045 0.000 0.984 83 F HN 0.068 nan 8.300 nan 0.000 0.472 84 E N 0.056 120.546 120.200 0.482 0.000 2.058 84 E HA -0.286 4.064 4.350 0.000 0.000 0.194 84 E C 2.504 179.204 176.600 0.167 0.000 0.997 84 E CA 1.248 57.879 56.400 0.384 0.000 0.801 84 E CB -0.270 29.575 29.700 0.242 0.000 0.746 84 E HN 0.359 nan 8.360 nan 0.000 0.450 85 R N 0.688 121.242 120.500 0.090 0.000 2.083 85 R HA -0.220 4.120 4.340 0.000 0.000 0.237 85 R C 2.291 178.596 176.300 0.009 0.000 1.137 85 R CA 1.892 58.010 56.100 0.029 0.000 0.951 85 R CB -0.114 30.196 30.300 0.017 0.000 0.851 85 R HN 0.229 nan 8.270 nan 0.000 0.434 86 Q N -0.939 118.849 119.800 -0.020 0.000 2.096 86 Q HA -0.234 4.106 4.340 0.000 0.000 0.204 86 Q C 1.950 177.939 176.000 -0.018 0.000 0.982 86 Q CA 1.833 57.598 55.803 -0.063 0.000 0.850 86 Q CB -0.275 28.370 28.738 -0.154 0.000 0.901 86 Q HN 0.388 nan 8.270 nan 0.000 0.422 87 Y N 1.190 121.353 120.300 -0.229 0.000 2.089 87 Y HA -0.195 4.355 4.550 0.000 0.000 0.282 87 Y C 1.837 177.791 175.900 0.089 0.000 1.139 87 Y CA 1.355 59.383 58.100 -0.120 0.000 1.123 87 Y CB -0.612 37.795 38.460 -0.088 0.000 0.980 87 Y HN 0.030 nan 8.280 nan 0.000 0.493 88 L N -0.150 121.079 121.223 0.010 0.000 2.191 88 L HA -0.176 4.164 4.340 0.000 0.000 0.212 88 L C 2.442 179.244 176.870 -0.113 0.000 1.103 88 L CA 1.115 55.811 54.840 -0.241 0.000 0.769 88 L CB -0.819 41.083 42.059 -0.262 0.000 0.908 88 L HN 0.313 nan 8.230 nan 0.000 0.438 89 A N -0.555 122.250 122.820 -0.025 0.000 2.238 89 A HA 0.262 4.582 4.320 0.000 0.000 0.208 89 A C 1.787 179.387 177.584 0.026 0.000 1.177 89 A CA 0.756 52.785 52.037 -0.013 0.000 0.804 89 A CB -0.375 18.616 19.000 -0.014 0.000 0.823 89 A HN 0.516 nan 8.150 nan 0.000 0.482 90 G N -0.749 108.098 108.800 0.078 0.000 2.143 90 G HA2 -0.294 3.666 3.960 0.000 0.000 0.249 90 G HA3 -0.294 3.666 3.960 0.000 0.000 0.249 90 G C 0.572 175.499 174.900 0.045 0.000 0.981 90 G CA 0.757 45.910 45.100 0.088 0.000 0.665 90 G HN 0.576 nan 8.290 nan 0.000 0.528 91 E N -1.281 118.933 120.200 0.023 0.000 2.122 91 E HA 0.264 4.614 4.350 0.000 0.000 0.190 91 E C 1.087 177.667 176.600 -0.033 0.000 0.977 91 E CA 0.586 56.979 56.400 -0.010 0.000 0.820 91 E CB 0.297 29.981 29.700 -0.027 0.000 0.770 91 E HN 0.468 nan 8.360 nan 0.000 0.462 92 L N 1.087 122.280 121.223 -0.050 0.000 2.334 92 L HA 0.314 4.654 4.340 0.000 0.000 0.273 92 L C -0.932 175.896 176.870 -0.070 0.000 1.013 92 L CA -0.472 54.294 54.840 -0.123 0.000 0.816 92 L CB 1.705 43.570 42.059 -0.323 0.000 1.278 92 L HN -0.201 nan 8.230 nan 0.000 0.431 93 E N 2.895 123.040 120.200 -0.092 0.000 2.216 93 E HA 0.626 4.976 4.350 0.000 0.000 0.279 93 E C -1.411 175.110 176.600 -0.133 0.000 0.997 93 E CA -0.683 55.683 56.400 -0.056 0.000 0.817 93 E CB 2.075 31.754 29.700 -0.036 0.000 1.096 93 E HN 0.431 nan 8.360 nan 0.000 0.393 94 V N 2.599 122.430 119.914 -0.138 0.000 2.668 94 V HA 0.206 4.326 4.120 0.000 0.000 0.304 94 V C -0.688 175.368 176.094 -0.064 0.000 1.071 94 V CA -0.833 61.356 62.300 -0.184 0.000 0.894 94 V CB 1.873 33.382 31.823 -0.523 0.000 1.008 94 V HN 0.672 nan 8.190 nan 0.000 0.425 95 E N 4.452 124.633 120.200 -0.033 0.000 2.063 95 E HA 0.448 4.798 4.350 0.000 0.000 0.265 95 E C -0.959 175.640 176.600 -0.001 0.000 0.919 95 E CA -0.455 55.944 56.400 -0.001 0.000 0.756 95 E CB 1.403 31.098 29.700 -0.009 0.000 1.120 95 E HN 0.554 nan 8.360 nan 0.000 0.414 96 L N 3.603 124.850 121.223 0.040 0.000 2.385 96 L HA 0.182 4.522 4.340 0.000 0.000 0.281 96 L C 0.084 176.943 176.870 -0.017 0.000 1.106 96 L CA 0.189 55.054 54.840 0.042 0.000 0.856 96 L CB 0.179 42.341 42.059 0.172 0.000 1.186 96 L HN 0.375 nan 8.230 nan 0.000 0.453 97 T N 3.755 118.284 114.554 -0.041 0.000 2.829 97 T HA 0.377 4.727 4.350 0.000 0.000 0.280 97 T C -2.502 172.151 174.700 -0.078 0.000 0.999 97 T CA -1.717 60.349 62.100 -0.058 0.000 0.983 97 T CB 1.912 70.760 68.868 -0.033 0.000 0.968 97 T HN 0.215 nan 8.240 nan 0.000 0.446 98 P HA 0.082 nan 4.420 nan 0.000 0.264 98 P C 0.813 178.024 177.300 -0.148 0.000 1.193 98 P CA 0.044 63.064 63.100 -0.133 0.000 0.763 98 P CB 0.572 32.196 31.700 -0.126 0.000 0.810 99 Q N 3.128 122.822 119.800 -0.177 0.000 2.112 99 Q HA -0.191 4.149 4.340 0.000 0.000 0.206 99 Q C 2.035 177.653 176.000 -0.636 0.000 0.987 99 Q CA 2.368 58.048 55.803 -0.206 0.000 0.858 99 Q CB -0.737 27.979 28.738 -0.037 0.000 0.905 99 Q HN 0.683 nan 8.270 nan 0.000 0.420 100 G N -1.027 106.932 108.800 -1.402 0.000 2.422 100 G HA2 -0.188 3.772 3.960 0.000 0.000 0.218 100 G HA3 -0.188 3.772 3.960 0.000 0.000 0.218 100 G C 1.303 176.009 174.900 -0.324 0.000 1.140 100 G CA 1.106 45.422 45.100 -1.306 0.000 0.775 100 G HN 0.347 nan 8.290 nan 0.000 0.545 101 T N 1.088 115.545 114.554 -0.162 0.000 2.777 101 T HA -0.087 4.263 4.350 0.000 0.000 0.266 101 T C 2.233 176.983 174.700 0.083 0.000 1.040 101 T CA 0.993 63.129 62.100 0.061 0.000 1.141 101 T CB -0.190 68.710 68.868 0.055 0.000 0.868 101 T HN 0.123 nan 8.240 nan 0.000 0.444 102 L N 1.490 122.738 121.223 0.041 0.000 2.042 102 L HA -0.018 4.322 4.340 0.000 0.000 0.210 102 L C 2.553 179.560 176.870 0.228 0.000 1.076 102 L CA 1.934 56.860 54.840 0.144 0.000 0.749 102 L CB -1.013 41.152 42.059 0.177 0.000 0.893 102 L HN 0.229 nan 8.230 nan 0.000 0.432 103 A N -1.016 121.887 122.820 0.139 0.000 1.873 103 A HA -0.211 4.109 4.320 0.000 0.000 0.215 103 A C 2.268 179.805 177.584 -0.078 0.000 1.186 103 A CA 1.555 53.562 52.037 -0.049 0.000 0.616 103 A CB -0.695 18.109 19.000 -0.326 0.000 0.823 103 A HN 0.487 nan 8.150 nan 0.000 0.442 104 E N 0.072 120.204 120.200 -0.114 0.000 2.150 104 E HA -0.117 4.233 4.350 0.000 0.000 0.193 104 E C 2.126 178.606 176.600 -0.200 0.000 0.985 104 E CA 1.188 57.405 56.400 -0.304 0.000 0.814 104 E CB -0.187 29.180 29.700 -0.554 0.000 0.752 104 E HN 0.594 nan 8.360 nan 0.000 0.466 105 R N -0.311 120.245 120.500 0.093 0.000 2.073 105 R HA 0.012 4.352 4.340 0.000 0.000 0.229 105 R C 2.431 178.788 176.300 0.095 0.000 1.120 105 R CA 1.438 57.665 56.100 0.213 0.000 0.967 105 R CB -0.305 30.119 30.300 0.206 0.000 0.862 105 R HN 0.263 nan 8.270 nan 0.000 0.436 106 I N 0.393 121.005 120.570 0.070 0.000 2.252 106 I HA -0.268 3.902 4.170 0.000 0.000 0.245 106 I C 2.795 178.907 176.117 -0.009 0.000 1.102 106 I CA 1.111 62.441 61.300 0.049 0.000 1.385 106 I CB -0.266 37.792 38.000 0.097 0.000 1.064 106 I HN 0.146 nan 8.210 nan 0.000 0.414 107 R N 1.415 121.881 120.500 -0.058 0.000 2.083 107 R HA -0.217 4.123 4.340 0.000 0.000 0.237 107 R C 2.347 178.601 176.300 -0.077 0.000 1.137 107 R CA 1.807 57.847 56.100 -0.100 0.000 0.951 107 R CB -0.308 29.899 30.300 -0.155 0.000 0.851 107 R HN 0.354 nan 8.270 nan 0.000 0.434 108 A N 0.380 123.160 122.820 -0.067 0.000 1.933 108 A HA -0.083 4.237 4.320 0.000 0.000 0.218 108 A C 2.389 179.986 177.584 0.021 0.000 1.175 108 A CA 1.664 53.696 52.037 -0.008 0.000 0.628 108 A CB -1.285 17.773 19.000 0.097 0.000 0.814 108 A HN 0.613 nan 8.150 nan 0.000 0.444 109 G N -0.839 107.977 108.800 0.026 0.000 2.485 109 G HA2 0.013 3.973 3.960 0.000 0.000 0.221 109 G HA3 0.013 3.973 3.960 0.000 0.000 0.221 109 G C 1.214 176.124 174.900 0.018 0.000 1.115 109 G CA 1.264 46.380 45.100 0.026 0.000 0.751 109 G HN 0.873 nan 8.290 nan 0.000 0.567 110 G N -0.878 107.920 108.800 -0.002 0.000 3.192 110 G HA2 0.435 4.395 3.960 0.000 0.000 0.239 110 G HA3 0.435 4.395 3.960 0.000 0.000 0.239 110 G C 0.949 175.872 174.900 0.038 0.000 1.084 110 G CA 0.932 46.037 45.100 0.009 0.000 0.784 110 G HN 0.585 nan 8.290 nan 0.000 0.540 111 A N -0.318 122.515 122.820 0.022 0.000 2.503 111 A HA 0.547 4.867 4.320 0.000 0.000 0.263 111 A C 1.678 179.282 177.584 0.033 0.000 1.258 111 A CA 0.813 52.867 52.037 0.029 0.000 0.936 111 A CB -0.204 18.794 19.000 -0.003 0.000 1.070 111 A HN 1.367 nan 8.150 nan 0.000 0.522 112 G N -0.826 107.997 108.800 0.037 0.000 2.198 112 G HA2 -0.175 3.785 3.960 0.000 0.000 0.260 112 G HA3 -0.175 3.785 3.960 0.000 0.000 0.260 112 G C -0.000 174.919 174.900 0.033 0.000 1.025 112 G CA 0.374 45.495 45.100 0.035 0.000 0.769 112 G HN 0.918 nan 8.290 nan 0.000 0.507 113 V N 1.599 121.536 119.914 0.038 0.000 2.313 113 V HA 0.362 4.482 4.120 0.000 0.000 0.278 113 V C -0.264 175.872 176.094 0.069 0.000 1.017 113 V CA -0.710 61.622 62.300 0.053 0.000 0.823 113 V CB 1.819 33.677 31.823 0.058 0.000 1.010 113 V HN 0.163 nan 8.190 nan 0.000 0.443 114 P HA 0.109 nan 4.420 nan 0.000 0.222 114 P C 0.267 177.581 177.300 0.023 0.000 1.153 114 P CA 0.873 63.993 63.100 0.032 0.000 0.798 114 P CB 0.871 32.578 31.700 0.012 0.000 0.796 115 A N -0.923 121.910 122.820 0.023 0.000 2.608 115 A HA 0.658 4.978 4.320 0.000 0.000 0.292 115 A C -1.544 176.015 177.584 -0.041 0.000 1.066 115 A CA -0.631 51.352 52.037 -0.090 0.000 0.676 115 A CB 0.602 19.470 19.000 -0.219 0.000 1.277 115 A HN 0.099 nan 8.150 nan 0.000 0.413 116 F N -1.752 118.083 119.950 -0.193 0.000 2.686 116 F HA 0.819 5.346 4.527 -0.000 0.000 0.311 116 F C -1.623 174.032 175.800 -0.241 0.000 1.128 116 F CA -1.426 56.469 58.000 -0.176 0.000 0.946 116 F CB 0.663 39.609 39.000 -0.089 0.000 1.336 116 F HN 0.500 nan 8.300 nan 0.000 0.457 117 Y N 0.249 120.485 120.300 -0.106 0.000 2.352 117 Y HA 0.646 5.196 4.550 -0.000 0.000 0.326 117 Y C 0.488 176.440 175.900 0.087 0.000 1.166 117 Y CA -0.351 57.685 58.100 -0.108 0.000 1.182 117 Y CB 1.989 40.363 38.460 -0.143 0.000 1.216 117 Y HN 0.902 nan 8.280 nan 0.000 0.474 118 T N -0.286 114.507 114.554 0.397 0.000 2.923 118 T HA 0.204 4.554 4.350 0.000 0.000 0.311 118 T C 0.573 175.628 174.700 0.592 0.000 1.183 118 T CA -0.325 62.077 62.100 0.503 0.000 1.020 118 T CB 1.538 70.660 68.868 0.425 0.000 1.165 118 T HN 0.619 nan 8.240 nan 0.000 0.482 119 S N 1.838 117.873 115.700 0.558 0.000 2.406 119 S HA 0.064 4.534 4.470 0.000 0.000 0.228 119 S C 0.905 175.614 174.600 0.181 0.000 1.020 119 S CA 1.035 59.340 58.200 0.176 0.000 0.965 119 S CB -0.426 62.806 63.200 0.052 0.000 0.798 119 S HN 0.860 nan 8.310 nan 0.000 0.488 120 T N 1.811 116.483 114.554 0.197 0.000 2.831 120 T HA 0.421 4.771 4.350 0.000 0.000 0.291 120 T C 1.185 175.947 174.700 0.103 0.000 0.981 120 T CA 0.798 62.978 62.100 0.133 0.000 1.174 120 T CB 0.378 69.313 68.868 0.112 0.000 0.929 120 T HN 0.724 nan 8.240 nan 0.000 0.532 121 G N 2.704 111.539 108.800 0.059 0.000 2.213 121 G HA2 -0.271 3.689 3.960 0.000 0.000 0.236 121 G HA3 -0.271 3.689 3.960 0.000 0.000 0.236 121 G C 0.074 174.999 174.900 0.042 0.000 0.991 121 G CA -0.104 45.001 45.100 0.009 0.000 0.629 121 G HN 0.818 nan 8.290 nan 0.000 0.517 122 Y N 1.632 121.942 120.300 0.017 0.000 2.702 122 Y HA 0.315 4.865 4.550 0.000 0.000 0.336 122 Y C 1.610 177.525 175.900 0.025 0.000 1.235 122 Y CA 1.476 59.589 58.100 0.021 0.000 1.492 122 Y CB 0.584 39.051 38.460 0.012 0.000 1.308 122 Y HN 1.528 nan 8.280 nan 0.000 0.589 123 G N 3.239 111.424 108.800 -1.025 0.000 2.175 123 G HA2 -0.304 3.656 3.960 0.000 0.000 0.265 123 G HA3 -0.304 3.656 3.960 0.000 0.000 0.265 123 G C 0.242 175.007 174.900 -0.225 0.000 0.979 123 G CA 0.864 45.568 45.100 -0.660 0.000 0.663 123 G HN 1.188 nan 8.290 nan 0.000 0.533 124 T N -3.280 111.195 114.554 -0.132 0.000 2.841 124 T HA 0.709 5.059 4.350 0.000 0.000 0.276 124 T C 1.613 176.339 174.700 0.042 0.000 1.003 124 T CA -0.220 61.886 62.100 0.010 0.000 0.995 124 T CB 1.199 70.064 68.868 -0.005 0.000 1.260 124 T HN 0.130 nan 8.240 nan 0.000 0.581 125 L N 0.473 121.798 121.223 0.170 0.000 2.131 125 L HA -0.083 4.257 4.340 0.000 0.000 0.210 125 L C 2.863 179.783 176.870 0.083 0.000 1.092 125 L CA 0.870 55.817 54.840 0.177 0.000 0.759 125 L CB -0.751 41.535 42.059 0.380 0.000 0.903 125 L HN 0.553 nan 8.230 nan 0.000 0.435 126 V N -0.266 119.656 119.914 0.013 0.000 2.255 126 V HA -0.341 3.779 4.120 0.000 0.000 0.247 126 V C 2.515 178.605 176.094 -0.006 0.000 1.051 126 V CA 2.170 64.455 62.300 -0.026 0.000 1.018 126 V CB -0.631 31.140 31.823 -0.087 0.000 0.641 126 V HN 0.566 nan 8.190 nan 0.000 0.445 127 Q N 0.134 119.927 119.800 -0.012 0.000 2.049 127 Q HA -0.219 4.121 4.340 0.000 0.000 0.198 127 Q C 2.152 178.146 176.000 -0.009 0.000 0.971 127 Q CA 2.059 57.861 55.803 -0.002 0.000 0.833 127 Q CB -0.075 28.646 28.738 -0.028 0.000 0.896 127 Q HN 0.771 nan 8.270 nan 0.000 0.434 128 E N -0.348 119.839 120.200 -0.022 0.000 2.216 128 E HA 0.124 4.474 4.350 0.000 0.000 0.192 128 E C 0.798 177.404 176.600 0.009 0.000 0.988 128 E CA 0.426 56.818 56.400 -0.013 0.000 0.834 128 E CB 0.086 29.776 29.700 -0.018 0.000 0.772 128 E HN 0.531 nan 8.360 nan 0.000 0.479 129 G N -0.897 107.917 108.800 0.024 0.000 2.710 129 G HA2 0.018 3.978 3.960 0.000 0.000 0.668 129 G HA3 0.018 3.978 3.960 0.000 0.000 0.668 129 G C 0.583 175.510 174.900 0.046 0.000 1.320 129 G CA -0.512 44.606 45.100 0.031 0.000 0.860 129 G HN 0.672 nan 8.290 nan 0.000 0.538 130 G N -1.879 106.945 108.800 0.040 0.000 2.176 130 G HA2 0.090 4.050 3.960 0.000 0.000 0.232 130 G HA3 0.090 4.050 3.960 0.000 0.000 0.232 130 G C 0.894 175.831 174.900 0.063 0.000 0.986 130 G CA 1.510 46.634 45.100 0.040 0.000 0.643 130 G HN 2.329 nan 8.290 nan 0.000 0.522 131 S N 2.926 118.685 115.700 0.099 0.000 2.516 131 S HA 0.493 4.963 4.470 0.000 0.000 0.282 131 S C -1.656 172.990 174.600 0.077 0.000 1.286 131 S CA -0.494 57.801 58.200 0.159 0.000 1.066 131 S CB 0.813 64.142 63.200 0.215 0.000 0.884 131 S HN 0.329 nan 8.310 nan 0.000 0.491 132 P HA 0.085 nan 4.420 nan 0.000 0.264 132 P C 0.228 177.516 177.300 -0.020 0.000 1.229 132 P CA 0.208 63.212 63.100 -0.160 0.000 0.780 132 P CB 0.311 31.727 31.700 -0.472 0.000 0.808 133 I N 2.396 122.944 120.570 -0.037 0.000 3.265 133 I HA 0.115 4.285 4.170 0.000 0.000 0.282 133 I C 1.232 177.389 176.117 0.066 0.000 1.207 133 I CA 0.753 62.079 61.300 0.044 0.000 1.449 133 I CB 0.218 38.224 38.000 0.009 0.000 1.121 133 I HN 0.308 nan 8.210 nan 0.000 0.442 134 K N 0.236 120.596 120.400 -0.067 0.000 2.565 134 K HA 0.324 4.644 4.320 0.000 0.000 0.251 134 K C -1.684 174.798 176.600 -0.197 0.000 0.956 134 K CA -0.578 55.682 56.287 -0.045 0.000 0.809 134 K CB 1.630 34.127 32.500 -0.006 0.000 1.267 134 K HN -0.252 nan 8.250 nan 0.000 0.438 135 Y N 1.511 121.808 120.300 -0.004 0.000 2.301 135 Y HA 0.270 4.820 4.550 0.000 0.000 0.325 135 Y C 0.991 176.868 175.900 -0.040 0.000 1.203 135 Y CA -0.253 57.808 58.100 -0.066 0.000 1.255 135 Y CB 0.945 39.311 38.460 -0.157 0.000 1.232 135 Y HN 0.529 nan 8.280 nan 0.000 0.501 136 N N 1.299 120.087 118.700 0.147 0.000 2.463 136 N HA 0.103 4.843 4.740 0.000 0.000 0.270 136 N C 0.709 176.254 175.510 0.058 0.000 1.205 136 N CA -0.242 52.851 53.050 0.072 0.000 0.974 136 N CB 0.970 39.486 38.487 0.049 0.000 1.197 136 N HN 0.570 nan 8.380 nan 0.000 0.504 137 K N 0.215 120.631 120.400 0.027 0.000 2.362 137 K HA -0.104 4.216 4.320 0.000 0.000 0.200 137 K C 0.372 176.969 176.600 -0.005 0.000 1.046 137 K CA 0.873 57.165 56.287 0.007 0.000 0.952 137 K CB 0.045 32.546 32.500 0.002 0.000 0.753 137 K HN 0.562 nan 8.250 nan 0.000 0.466 138 D N -0.522 119.879 120.400 0.001 0.000 2.342 138 D HA 0.033 4.673 4.640 0.000 0.000 0.221 138 D C 1.102 177.393 176.300 -0.015 0.000 1.101 138 D CA 0.605 54.600 54.000 -0.009 0.000 0.837 138 D CB 0.311 41.109 40.800 -0.002 0.000 0.938 138 D HN 0.238 nan 8.370 nan 0.000 0.508 139 G N 0.423 109.214 108.800 -0.015 0.000 2.217 139 G HA2 -0.315 3.645 3.960 0.000 0.000 0.246 139 G HA3 -0.315 3.645 3.960 0.000 0.000 0.246 139 G C 0.553 175.481 174.900 0.048 0.000 0.990 139 G CA 0.533 45.608 45.100 -0.041 0.000 0.627 139 G HN 0.800 nan 8.290 nan 0.000 0.522 140 S N -0.285 115.459 115.700 0.073 0.000 2.640 140 S HA 0.704 5.174 4.470 0.000 0.000 0.262 140 S C 0.464 175.158 174.600 0.156 0.000 1.232 140 S CA -0.513 57.744 58.200 0.095 0.000 0.988 140 S CB 1.173 64.400 63.200 0.044 0.000 1.034 140 S HN 0.603 nan 8.310 nan 0.000 0.569 141 I N 1.450 122.062 120.570 0.071 0.000 2.304 141 I HA 0.333 4.503 4.170 0.000 0.000 0.291 141 I C 1.160 177.251 176.117 -0.044 0.000 1.018 141 I CA -0.543 60.733 61.300 -0.041 0.000 1.260 141 I CB 1.273 39.217 38.000 -0.095 0.000 1.390 141 I HN 0.897 nan 8.210 nan 0.000 0.475 142 A N 7.686 130.471 122.820 -0.058 0.000 1.874 142 A HA 0.236 4.556 4.320 0.000 0.000 0.214 142 A C 0.922 178.482 177.584 -0.040 0.000 1.189 142 A CA 1.044 53.063 52.037 -0.030 0.000 0.615 142 A CB 0.055 19.048 19.000 -0.011 0.000 0.830 142 A HN 0.625 nan 8.150 nan 0.000 0.443 143 I N -0.389 120.143 120.570 -0.064 0.000 2.447 143 I HA 0.550 4.720 4.170 0.000 0.000 0.287 143 I C -0.265 175.816 176.117 -0.060 0.000 1.023 143 I CA -0.565 60.708 61.300 -0.046 0.000 1.083 143 I CB 1.990 39.973 38.000 -0.029 0.000 1.245 143 I HN 0.208 nan 8.210 nan 0.000 0.434 144 A N 4.329 127.127 122.820 -0.038 0.000 2.337 144 A HA 0.716 5.036 4.320 0.000 0.000 0.329 144 A C 0.227 177.809 177.584 -0.004 0.000 1.146 144 A CA -0.551 51.470 52.037 -0.027 0.000 0.800 144 A CB 1.184 20.173 19.000 -0.019 0.000 1.220 144 A HN 0.785 nan 8.150 nan 0.000 0.472 145 S N 2.203 117.911 115.700 0.013 0.000 2.566 145 S HA 0.228 4.698 4.470 0.000 0.000 0.280 145 S C -0.061 174.547 174.600 0.013 0.000 1.343 145 S CA -0.133 58.078 58.200 0.018 0.000 1.036 145 S CB 0.236 63.458 63.200 0.037 0.000 0.866 145 S HN 0.575 nan 8.310 nan 0.000 0.526 146 K N 1.847 122.252 120.400 0.007 0.000 2.098 146 K HA 0.511 4.831 4.320 0.000 0.000 0.258 146 K C -2.568 174.035 176.600 0.006 0.000 0.973 146 K CA -2.476 53.814 56.287 0.005 0.000 0.898 146 K CB 0.263 32.763 32.500 -0.000 0.000 1.057 146 K HN 0.509 nan 8.250 nan 0.000 0.447 147 P HA 0.143 nan 4.420 nan 0.000 0.272 147 P C -0.417 176.887 177.300 0.006 0.000 1.223 147 P CA -0.275 62.830 63.100 0.008 0.000 0.784 147 P CB 0.625 32.330 31.700 0.008 0.000 0.923 148 R N 1.527 122.035 120.500 0.013 0.000 2.486 148 R HA 0.324 4.664 4.340 0.000 0.000 0.286 148 R C 0.401 176.726 176.300 0.042 0.000 0.999 148 R CA -0.796 55.311 56.100 0.012 0.000 0.993 148 R CB 0.538 30.846 30.300 0.013 0.000 1.084 148 R HN 0.528 nan 8.270 nan 0.000 0.487 149 E N 0.858 121.084 120.200 0.044 0.000 2.384 149 E HA 0.130 4.480 4.350 0.000 0.000 0.266 149 E C -0.376 176.331 176.600 0.178 0.000 1.012 149 E CA -0.126 56.329 56.400 0.092 0.000 0.901 149 E CB 1.029 30.785 29.700 0.093 0.000 0.967 149 E HN 0.106 nan 8.360 nan 0.000 0.435 150 V N 3.582 123.587 119.914 0.152 0.000 2.532 150 V HA 0.499 4.619 4.120 0.000 0.000 0.295 150 V C -0.044 176.110 176.094 0.101 0.000 1.041 150 V CA -0.495 61.902 62.300 0.161 0.000 0.926 150 V CB 1.605 33.489 31.823 0.103 0.000 0.992 150 V HN 0.627 nan 8.190 nan 0.000 0.457 151 R N 2.615 123.163 120.500 0.081 0.000 2.566 151 R HA 0.358 4.698 4.340 0.000 0.000 0.271 151 R C -1.055 175.208 176.300 -0.062 0.000 1.071 151 R CA -0.549 55.486 56.100 -0.109 0.000 0.915 151 R CB 1.767 31.865 30.300 -0.337 0.000 1.228 151 R HN 0.773 nan 8.270 nan 0.000 0.449 152 E N 4.395 124.501 120.200 -0.155 0.000 2.283 152 E HA 0.234 4.584 4.350 0.000 0.000 0.278 152 E C -1.473 174.946 176.600 -0.300 0.000 1.027 152 E CA -0.039 56.354 56.400 -0.012 0.000 0.843 152 E CB 0.725 30.439 29.700 0.024 0.000 1.062 152 E HN 0.412 nan 8.360 nan 0.000 0.401 153 F N 2.718 122.768 119.950 0.165 0.000 2.574 153 F HA 0.232 4.759 4.527 -0.000 0.000 0.313 153 F C 0.200 176.074 175.800 0.124 0.000 1.130 153 F CA -0.933 57.111 58.000 0.073 0.000 0.936 153 F CB 1.431 40.383 39.000 -0.080 0.000 1.219 153 F HN 0.496 nan 8.300 nan 0.000 0.445 154 N N 2.111 120.934 118.700 0.205 0.000 2.705 154 N HA -0.208 4.532 4.740 0.000 0.000 0.255 154 N C 1.021 176.576 175.510 0.076 0.000 1.008 154 N CA 1.126 54.253 53.050 0.127 0.000 0.742 154 N CB -1.074 37.500 38.487 0.145 0.000 0.906 154 N HN 1.232 nan 8.380 nan 0.000 0.541 155 G N -0.760 108.050 108.800 0.016 0.000 2.187 155 G HA2 -0.364 3.596 3.960 0.000 0.000 0.261 155 G HA3 -0.364 3.596 3.960 0.000 0.000 0.261 155 G C -0.115 174.699 174.900 -0.143 0.000 1.000 155 G CA 1.220 46.283 45.100 -0.062 0.000 0.718 155 G HN 0.796 nan 8.290 nan 0.000 0.519 156 Q N -1.000 118.741 119.800 -0.099 0.000 2.484 156 Q HA 0.625 4.965 4.340 0.000 0.000 0.285 156 Q C -0.779 175.000 176.000 -0.369 0.000 1.097 156 Q CA -0.899 54.724 55.803 -0.300 0.000 0.802 156 Q CB 1.449 30.032 28.738 -0.259 0.000 1.444 156 Q HN 0.586 nan 8.270 nan 0.000 0.429 157 H N 1.071 119.731 119.070 -0.683 0.000 2.488 157 H HA 0.428 4.984 4.556 0.000 0.000 0.322 157 H C -1.202 173.555 175.328 -0.951 0.000 1.078 157 H CA -0.461 55.093 56.048 -0.823 0.000 1.260 157 H CB 0.798 29.697 29.762 -1.438 0.000 1.425 157 H HN 0.347 nan 8.280 nan 0.000 0.471 158 F N 2.660 122.604 119.950 -0.011 0.000 2.593 158 F HA 0.425 4.952 4.527 0.000 0.000 0.320 158 F C 0.045 175.993 175.800 0.247 0.000 1.060 158 F CA -1.131 56.955 58.000 0.142 0.000 0.940 158 F CB 1.566 40.699 39.000 0.222 0.000 1.268 158 F HN 0.343 nan 8.300 nan 0.000 0.475 159 I N 0.541 121.407 120.570 0.494 0.000 2.693 159 I HA 0.659 4.829 4.170 0.000 0.000 0.303 159 I C -1.509 174.754 176.117 0.244 0.000 1.025 159 I CA -1.215 60.303 61.300 0.363 0.000 1.086 159 I CB 2.048 40.178 38.000 0.216 0.000 1.268 159 I HN 0.429 nan 8.210 nan 0.000 0.440 160 L N 4.295 125.536 121.223 0.030 0.000 2.290 160 L HA 0.463 4.803 4.340 0.000 0.000 0.284 160 L C -0.343 176.305 176.870 -0.370 0.000 1.078 160 L CA 0.663 55.250 54.840 -0.422 0.000 0.815 160 L CB 0.389 42.187 42.059 -0.434 0.000 1.162 160 L HN 0.598 nan 8.230 nan 0.000 0.435 161 E N 4.236 124.057 120.200 -0.631 0.000 2.266 161 E HA 0.399 4.749 4.350 0.000 0.000 0.268 161 E C -1.103 175.212 176.600 -0.475 0.000 0.879 161 E CA -0.577 55.525 56.400 -0.497 0.000 0.762 161 E CB 1.963 31.368 29.700 -0.491 0.000 1.199 161 E HN 0.597 nan 8.360 nan 0.000 0.422 162 E N 0.569 120.657 120.200 -0.187 0.000 2.222 162 E HA 0.562 4.912 4.350 0.000 0.000 0.272 162 E C -0.483 176.146 176.600 0.048 0.000 0.982 162 E CA -0.924 55.429 56.400 -0.077 0.000 0.842 162 E CB 1.737 31.399 29.700 -0.063 0.000 1.144 162 E HN 0.532 nan 8.360 nan 0.000 0.397 163 A N 2.571 125.439 122.820 0.081 0.000 2.520 163 A HA 0.108 4.428 4.320 0.000 0.000 0.235 163 A C -0.095 177.528 177.584 0.065 0.000 1.065 163 A CA 0.382 52.480 52.037 0.102 0.000 0.764 163 A CB -0.050 18.995 19.000 0.075 0.000 1.002 163 A HN 0.542 nan 8.150 nan 0.000 0.502 164 I N 1.878 122.489 120.570 0.067 0.000 2.362 164 I HA 0.408 4.578 4.170 0.000 0.000 0.289 164 I C 0.362 176.503 176.117 0.040 0.000 0.994 164 I CA -0.163 61.166 61.300 0.049 0.000 1.158 164 I CB 1.384 39.417 38.000 0.055 0.000 1.315 164 I HN 0.775 nan 8.210 nan 0.000 0.451 165 R N 4.921 125.440 120.500 0.032 0.000 2.473 165 R HA 0.551 4.891 4.340 0.000 0.000 0.303 165 R C -0.303 176.013 176.300 0.026 0.000 1.002 165 R CA -0.415 55.701 56.100 0.027 0.000 0.884 165 R CB 1.566 31.880 30.300 0.025 0.000 1.173 165 R HN 0.748 nan 8.270 nan 0.000 0.464 166 G N 1.173 109.990 108.800 0.029 0.000 2.580 166 G HA2 0.057 4.017 3.960 0.000 0.000 0.278 166 G HA3 0.057 4.017 3.960 0.000 0.000 0.278 166 G C 0.008 174.923 174.900 0.024 0.000 1.212 166 G CA -0.464 44.661 45.100 0.041 0.000 0.939 166 G HN 0.705 nan 8.290 nan 0.000 0.513 167 D N -0.871 119.569 120.400 0.065 0.000 2.162 167 D HA 0.055 4.695 4.640 0.000 0.000 0.203 167 D C -0.073 176.097 176.300 -0.216 0.000 0.967 167 D CA 1.205 55.213 54.000 0.014 0.000 0.840 167 D CB 0.229 41.161 40.800 0.220 0.000 0.972 167 D HN 0.158 nan 8.370 nan 0.000 0.482 168 F N -0.559 119.407 119.950 0.026 0.000 2.613 168 F HA 0.560 5.087 4.527 0.000 0.000 0.314 168 F C -0.571 175.237 175.800 0.014 0.000 1.075 168 F CA -1.208 56.806 58.000 0.024 0.000 0.945 168 F CB 2.020 41.024 39.000 0.007 0.000 1.310 168 F HN -0.313 nan 8.300 nan 0.000 0.467 169 A N 2.504 125.425 122.820 0.169 0.000 2.381 169 A HA 0.782 5.102 4.320 0.000 0.000 0.299 169 A C -1.687 175.964 177.584 0.112 0.000 1.049 169 A CA -0.571 51.528 52.037 0.103 0.000 0.715 169 A CB 0.925 19.950 19.000 0.042 0.000 1.222 169 A HN 0.711 nan 8.150 nan 0.000 0.428 170 L N 3.485 124.763 121.223 0.091 0.000 2.272 170 L HA 0.460 4.800 4.340 0.000 0.000 0.284 170 L C -0.784 176.134 176.870 0.080 0.000 1.045 170 L CA -0.682 54.203 54.840 0.075 0.000 0.842 170 L CB 1.012 43.096 42.059 0.042 0.000 1.224 170 L HN 0.418 nan 8.230 nan 0.000 0.430 171 V N 2.945 122.919 119.914 0.100 0.000 2.459 171 V HA 0.371 4.491 4.120 0.000 0.000 0.295 171 V C 0.030 176.231 176.094 0.178 0.000 1.029 171 V CA -0.791 61.593 62.300 0.141 0.000 0.874 171 V CB 2.089 34.008 31.823 0.159 0.000 0.985 171 V HN 0.548 nan 8.190 nan 0.000 0.438 172 K N 3.998 124.525 120.400 0.211 0.000 2.213 172 K HA 0.822 5.142 4.320 0.000 0.000 0.270 172 K C -0.504 176.298 176.600 0.335 0.000 1.002 172 K CA 0.022 56.446 56.287 0.230 0.000 0.868 172 K CB 1.315 33.933 32.500 0.197 0.000 1.093 172 K HN 0.875 nan 8.250 nan 0.000 0.454 173 A N 3.369 126.344 122.820 0.259 0.000 2.486 173 A HA 0.545 4.865 4.320 0.000 0.000 0.289 173 A C -0.526 177.164 177.584 0.177 0.000 1.176 173 A CA -0.765 51.394 52.037 0.203 0.000 0.757 173 A CB 0.236 19.149 19.000 -0.145 0.000 1.337 173 A HN 0.937 nan 8.150 nan 0.000 0.423 174 W N 0.612 121.860 121.300 -0.086 0.000 2.560 174 W HA 0.335 4.995 4.660 0.000 0.000 0.303 174 W C 0.076 176.582 176.519 -0.022 0.000 1.151 174 W CA 1.087 58.399 57.345 -0.055 0.000 1.426 174 W CB 0.048 29.498 29.460 -0.017 0.000 1.135 174 W HN 0.525 nan 8.180 nan 0.000 0.522 175 K N -0.193 120.121 120.400 -0.143 0.000 2.435 175 K HA 0.661 4.981 4.320 0.000 0.000 0.251 175 K C -1.347 175.276 176.600 0.037 0.000 0.954 175 K CA -0.778 55.374 56.287 -0.224 0.000 0.820 175 K CB 2.205 34.464 32.500 -0.401 0.000 1.292 175 K HN -0.147 nan 8.250 nan 0.000 0.436 176 A N 1.789 124.638 122.820 0.048 0.000 2.427 176 A HA 0.433 4.753 4.320 0.000 0.000 0.298 176 A C -1.392 176.226 177.584 0.057 0.000 1.036 176 A CA -0.912 51.209 52.037 0.140 0.000 0.701 176 A CB 0.889 19.945 19.000 0.094 0.000 1.250 176 A HN 0.811 nan 8.150 nan 0.000 0.412 177 D N 0.995 121.435 120.400 0.067 0.000 2.411 177 D HA 0.196 4.836 4.640 0.000 0.000 0.251 177 D C 0.658 177.013 176.300 0.092 0.000 1.201 177 D CA -0.350 53.586 54.000 -0.108 0.000 0.996 177 D CB 0.443 41.121 40.800 -0.204 0.000 1.101 177 D HN 0.469 nan 8.370 nan 0.000 0.504 178 Q N -0.856 118.939 119.800 -0.009 0.000 2.515 178 Q HA 0.018 4.358 4.340 0.000 0.000 0.212 178 Q C 1.161 177.213 176.000 0.087 0.000 0.970 178 Q CA 0.770 56.544 55.803 -0.048 0.000 0.941 178 Q CB 0.003 28.618 28.738 -0.205 0.000 0.998 178 Q HN 0.625 nan 8.270 nan 0.000 0.518 179 A N -0.695 122.224 122.820 0.165 0.000 2.169 179 A HA 0.357 4.677 4.320 0.000 0.000 0.210 179 A C 1.472 179.213 177.584 0.261 0.000 1.168 179 A CA 0.834 52.980 52.037 0.181 0.000 0.813 179 A CB 0.386 19.441 19.000 0.092 0.000 0.861 179 A HN 0.392 nan 8.150 nan 0.000 0.481 180 G N -0.685 108.294 108.800 0.297 0.000 2.184 180 G HA2 -0.187 3.773 3.960 0.000 0.000 0.206 180 G HA3 -0.187 3.773 3.960 0.000 0.000 0.206 180 G C -0.177 174.788 174.900 0.108 0.000 0.995 180 G CA -0.089 45.099 45.100 0.147 0.000 0.651 180 G HN 0.392 nan 8.290 nan 0.000 0.511 181 N N 0.237 119.030 118.700 0.156 0.000 2.492 181 N HA 0.448 5.188 4.740 0.000 0.000 0.260 181 N C -0.104 175.502 175.510 0.160 0.000 1.215 181 N CA 0.442 53.578 53.050 0.144 0.000 0.923 181 N CB 1.967 40.582 38.487 0.214 0.000 1.092 181 N HN 0.184 nan 8.380 nan 0.000 0.448 182 V N 0.521 120.407 119.914 -0.046 0.000 2.876 182 V HA 0.536 4.656 4.120 0.000 0.000 0.312 182 V C 0.064 175.846 176.094 -0.521 0.000 1.085 182 V CA -0.700 61.482 62.300 -0.197 0.000 0.945 182 V CB 2.209 33.902 31.823 -0.217 0.000 1.017 182 V HN 0.891 nan 8.190 nan 0.000 0.428 183 T N 0.249 114.456 114.554 -0.578 0.000 2.916 183 T HA 0.826 5.176 4.350 0.000 0.000 0.292 183 T C -1.097 173.424 174.700 -0.298 0.000 1.055 183 T CA -0.560 61.256 62.100 -0.474 0.000 1.009 183 T CB 1.818 70.344 68.868 -0.569 0.000 1.118 183 T HN 0.162 nan 8.240 nan 0.000 0.497 184 F N 0.119 120.395 119.950 0.543 0.000 2.522 184 F HA 0.658 5.185 4.527 0.000 0.000 0.324 184 F C 0.662 176.543 175.800 0.135 0.000 1.077 184 F CA -1.267 56.884 58.000 0.253 0.000 0.944 184 F CB 1.996 41.016 39.000 0.034 0.000 1.175 184 F HN 0.498 nan 8.300 nan 0.000 0.468 185 R N 3.227 123.787 120.500 0.100 0.000 2.198 185 R HA 0.371 4.711 4.340 0.000 0.000 0.339 185 R C -0.089 175.925 176.300 -0.476 0.000 1.020 185 R CA -0.101 55.771 56.100 -0.380 0.000 0.864 185 R CB 0.194 29.982 30.300 -0.853 0.000 1.105 185 R HN 0.792 nan 8.270 nan 0.000 0.463 186 K N 0.541 120.513 120.400 -0.713 0.000 1.844 186 K HA -0.293 4.027 4.320 0.000 0.000 0.160 186 K C 0.713 176.537 176.600 -1.292 0.000 1.448 186 K CA 1.681 57.051 56.287 -1.528 0.000 0.446 186 K CB -1.464 30.473 32.500 -0.939 0.000 0.635 186 K HN 0.703 nan 8.250 nan 0.000 0.848 187 S N 0.474 115.651 115.700 -0.872 0.000 2.603 187 S HA 0.184 4.654 4.470 0.000 0.000 0.220 187 S C 1.546 175.986 174.600 -0.266 0.000 0.967 187 S CA 0.674 58.613 58.200 -0.434 0.000 0.920 187 S CB 0.325 63.388 63.200 -0.228 0.000 0.773 187 S HN 0.604 nan 8.310 nan 0.000 0.529 188 A N 1.611 124.282 122.820 -0.248 0.000 2.239 188 A HA 0.159 4.479 4.320 0.000 0.000 0.209 188 A C 2.152 179.679 177.584 -0.095 0.000 1.171 188 A CA 0.608 52.585 52.037 -0.101 0.000 0.768 188 A CB -0.573 18.384 19.000 -0.072 0.000 0.790 188 A HN 0.595 nan 8.150 nan 0.000 0.478 189 R N 0.751 121.122 120.500 -0.215 0.000 2.061 189 R HA -0.201 4.139 4.340 0.000 0.000 0.230 189 R C 1.736 177.800 176.300 -0.393 0.000 1.140 189 R CA 1.768 57.606 56.100 -0.437 0.000 0.940 189 R CB -0.483 29.566 30.300 -0.418 0.000 0.839 189 R HN 0.708 nan 8.270 nan 0.000 0.429 190 N N -0.596 117.950 118.700 -0.257 0.000 1.109 190 N HA -0.353 4.387 4.740 0.000 0.000 0.142 190 N C 0.878 176.292 175.510 -0.161 0.000 0.434 190 N CA 2.667 55.630 53.050 -0.145 0.000 0.976 190 N CB -1.505 37.044 38.487 0.104 0.000 1.494 190 N HN 0.228 nan 8.380 nan 0.000 0.474 191 F N 0.283 120.189 119.950 -0.073 0.000 2.710 191 F HA 0.232 4.759 4.527 0.000 0.000 0.298 191 F C 2.134 177.845 175.800 -0.149 0.000 1.137 191 F CA 0.161 58.115 58.000 -0.076 0.000 1.444 191 F CB -0.375 38.623 39.000 -0.003 0.000 1.111 191 F HN 0.253 nan 8.300 nan 0.000 0.580 192 N N 0.774 119.430 118.700 -0.073 0.000 2.061 192 N HA -0.224 4.516 4.740 0.000 0.000 0.193 192 N C 2.148 177.510 175.510 -0.246 0.000 1.030 192 N CA 1.395 54.355 53.050 -0.150 0.000 0.856 192 N CB -0.732 37.638 38.487 -0.195 0.000 1.023 192 N HN 0.339 nan 8.380 nan 0.000 0.424 193 L N 2.000 122.864 121.223 -0.597 0.000 1.989 193 L HA -0.083 4.257 4.340 0.000 0.000 0.211 193 L C -0.724 176.041 176.870 -0.176 0.000 1.071 193 L CA 1.633 56.257 54.840 -0.360 0.000 0.749 193 L CB -1.175 40.631 42.059 -0.421 0.000 0.890 193 L HN 0.143 nan 8.230 nan 0.000 0.431 194 P HA -0.174 nan 4.420 nan 0.000 0.219 194 P C 1.773 179.014 177.300 -0.099 0.000 1.150 194 P CA 1.652 64.666 63.100 -0.143 0.000 0.814 194 P CB -0.057 31.562 31.700 -0.135 0.000 0.787 195 M N -0.783 118.795 119.600 -0.036 0.000 2.229 195 M HA -0.106 4.374 4.480 0.000 0.000 0.264 195 M C 2.385 178.663 176.300 -0.036 0.000 1.063 195 M CA 1.257 56.557 55.300 -0.000 0.000 1.114 195 M CB -0.902 31.731 32.600 0.054 0.000 1.387 195 M HN 0.029 nan 8.290 nan 0.000 0.420 196 C N 1.082 120.354 119.300 -0.046 0.000 2.466 196 C HA -0.070 4.390 4.460 0.000 0.000 0.283 196 C C 1.902 176.782 174.990 -0.183 0.000 1.472 196 C CA 0.946 59.931 59.018 -0.056 0.000 1.765 196 C CB -1.094 26.681 27.740 0.058 0.000 1.724 196 C HN 0.402 nan 8.230 nan 0.000 0.560 197 K N -0.244 119.985 120.400 -0.286 0.000 2.374 197 K HA 0.300 4.620 4.320 0.000 0.000 0.202 197 K C 0.829 177.345 176.600 -0.140 0.000 1.040 197 K CA 0.493 56.526 56.287 -0.422 0.000 1.085 197 K CB 0.466 32.513 32.500 -0.756 0.000 0.873 197 K HN 0.294 nan 8.250 nan 0.000 0.539 198 A N 1.102 123.872 122.820 -0.083 0.000 2.631 198 A HA 0.606 4.926 4.320 0.000 0.000 0.294 198 A C -0.025 177.559 177.584 0.000 0.000 1.156 198 A CA -0.318 51.705 52.037 -0.024 0.000 0.963 198 A CB 0.400 19.389 19.000 -0.019 0.000 1.202 198 A HN 0.178 nan 8.150 nan 0.000 0.523 199 A N -0.824 121.995 122.820 -0.002 0.000 2.469 199 A HA 0.673 4.993 4.320 0.000 0.000 0.299 199 A C 0.636 178.225 177.584 0.008 0.000 1.098 199 A CA -0.071 51.960 52.037 -0.010 0.000 0.737 199 A CB 0.933 19.918 19.000 -0.024 0.000 1.312 199 A HN 0.073 nan 8.150 nan 0.000 0.414 200 E N 0.500 120.664 120.200 -0.061 0.000 2.058 200 E HA -0.057 4.293 4.350 0.000 0.000 0.194 200 E C 0.256 176.840 176.600 -0.027 0.000 0.997 200 E CA 2.235 58.594 56.400 -0.069 0.000 0.801 200 E CB 0.033 29.633 29.700 -0.166 0.000 0.746 200 E HN 0.576 nan 8.360 nan 0.000 0.450 201 T N 0.781 115.205 114.554 -0.216 0.000 2.847 201 T HA 0.367 4.717 4.350 0.000 0.000 0.291 201 T C -0.858 173.812 174.700 -0.049 0.000 0.998 201 T CA -0.341 61.720 62.100 -0.066 0.000 0.967 201 T CB 1.329 69.877 68.868 -0.533 0.000 0.954 201 T HN 0.186 nan 8.240 nan 0.000 0.441 202 T N 0.510 115.059 114.554 -0.007 0.000 2.799 202 T HA 0.681 5.031 4.350 0.000 0.000 0.286 202 T C -0.233 174.461 174.700 -0.009 0.000 0.973 202 T CA -0.695 61.338 62.100 -0.111 0.000 1.035 202 T CB 0.897 69.580 68.868 -0.308 0.000 0.932 202 T HN 0.263 nan 8.240 nan 0.000 0.469 203 V N 4.188 124.134 119.914 0.054 0.000 2.378 203 V HA 0.498 4.618 4.120 0.000 0.000 0.288 203 V C -0.211 175.912 176.094 0.048 0.000 1.016 203 V CA -0.779 61.555 62.300 0.056 0.000 0.840 203 V CB 1.483 33.351 31.823 0.076 0.000 0.994 203 V HN 0.914 nan 8.190 nan 0.000 0.431 204 V N 5.078 125.013 119.914 0.034 0.000 2.513 204 V HA 0.552 4.672 4.120 0.000 0.000 0.299 204 V C -0.148 175.991 176.094 0.074 0.000 1.035 204 V CA -0.703 61.634 62.300 0.061 0.000 0.889 204 V CB 1.983 33.830 31.823 0.041 0.000 0.988 204 V HN 1.036 nan 8.190 nan 0.000 0.440 205 E N 3.748 124.022 120.200 0.123 0.000 2.176 205 E HA 0.733 5.083 4.350 0.000 0.000 0.267 205 E C -0.935 175.785 176.600 0.199 0.000 0.893 205 E CA -0.786 55.716 56.400 0.170 0.000 0.761 205 E CB 2.251 32.078 29.700 0.211 0.000 1.133 205 E HN 0.494 nan 8.360 nan 0.000 0.409 206 V N 0.081 120.107 119.914 0.187 0.000 3.019 206 V HA 0.378 4.498 4.120 0.000 0.000 0.317 206 V C 0.593 176.785 176.094 0.163 0.000 1.094 206 V CA -0.732 61.648 62.300 0.133 0.000 1.000 206 V CB 1.680 33.547 31.823 0.073 0.000 1.060 206 V HN 0.839 nan 8.190 nan 0.000 0.443 207 E N 0.178 120.400 120.200 0.036 0.000 2.122 207 E HA 0.139 4.489 4.350 0.000 0.000 0.190 207 E C -0.111 176.542 176.600 0.089 0.000 0.977 207 E CA 0.657 57.071 56.400 0.024 0.000 0.820 207 E CB 0.293 29.955 29.700 -0.065 0.000 0.770 207 E HN 0.721 nan 8.360 nan 0.000 0.462 208 E N 0.319 120.523 120.200 0.006 0.000 2.292 208 E HA 0.408 4.758 4.350 0.000 0.000 0.272 208 E C -0.933 175.630 176.600 -0.061 0.000 0.881 208 E CA -0.457 55.918 56.400 -0.042 0.000 0.754 208 E CB 2.446 32.064 29.700 -0.136 0.000 1.201 208 E HN 0.005 nan 8.360 nan 0.000 0.425 209 I N 2.485 123.039 120.570 -0.026 0.000 2.378 209 I HA 0.326 4.496 4.170 0.000 0.000 0.291 209 I C 0.145 176.203 176.117 -0.098 0.000 0.992 209 I CA -0.984 60.311 61.300 -0.009 0.000 1.154 209 I CB 1.523 39.575 38.000 0.085 0.000 1.315 209 I HN 0.236 nan 8.210 nan 0.000 0.448 210 V N 2.488 122.292 119.914 -0.183 0.000 3.113 210 V HA 0.593 4.713 4.120 0.000 0.000 0.316 210 V C -0.393 175.551 176.094 -0.249 0.000 1.125 210 V CA -0.930 61.218 62.300 -0.253 0.000 1.026 210 V CB 1.862 33.446 31.823 -0.398 0.000 1.080 210 V HN 0.487 nan 8.190 nan 0.000 0.444 211 D N 0.918 121.181 120.400 -0.228 0.000 2.368 211 D HA 0.328 4.968 4.640 0.000 0.000 0.240 211 D C 0.237 176.404 176.300 -0.221 0.000 1.169 211 D CA 0.263 54.150 54.000 -0.189 0.000 0.906 211 D CB 0.982 41.693 40.800 -0.149 0.000 1.187 211 D HN 0.581 nan 8.370 nan 0.000 0.435 212 I N 0.566 121.046 120.570 -0.150 0.000 2.618 212 I HA 0.159 4.329 4.170 0.000 0.000 0.284 212 I C 1.616 177.665 176.117 -0.114 0.000 1.146 212 I CA 0.801 62.032 61.300 -0.115 0.000 1.425 212 I CB 0.421 38.384 38.000 -0.061 0.000 1.383 212 I HN 0.712 nan 8.210 nan 0.000 0.562 213 G N 3.376 112.111 108.800 -0.108 0.000 2.218 213 G HA2 -0.264 3.696 3.960 0.000 0.000 0.216 213 G HA3 -0.264 3.696 3.960 0.000 0.000 0.216 213 G C 0.961 175.798 174.900 -0.105 0.000 0.994 213 G CA 0.245 45.301 45.100 -0.074 0.000 0.637 213 G HN 0.543 nan 8.290 nan 0.000 0.505 214 S N 0.052 115.607 115.700 -0.242 0.000 2.474 214 S HA 0.309 4.779 4.470 0.000 0.000 0.235 214 S C 0.539 175.035 174.600 -0.173 0.000 0.997 214 S CA 0.569 58.595 58.200 -0.291 0.000 0.949 214 S CB -0.068 62.819 63.200 -0.522 0.000 0.766 214 S HN 0.356 nan 8.310 nan 0.000 0.517 215 F N 1.504 121.406 119.950 -0.080 0.000 2.422 215 F HA 0.654 5.181 4.527 -0.000 0.000 0.333 215 F C 0.534 176.302 175.800 -0.054 0.000 1.095 215 F CA -2.416 55.535 58.000 -0.083 0.000 1.038 215 F CB 0.472 39.408 39.000 -0.106 0.000 1.156 215 F HN -0.099 nan 8.300 nan 0.000 0.483 216 A N 5.044 127.962 122.820 0.164 0.000 2.401 216 A HA 0.414 4.734 4.320 0.000 0.000 0.259 216 A C -1.527 176.092 177.584 0.060 0.000 1.103 216 A CA -1.149 50.936 52.037 0.081 0.000 0.789 216 A CB -0.020 19.013 19.000 0.055 0.000 1.035 216 A HN 0.571 nan 8.150 nan 0.000 0.491 217 P HA -0.131 nan 4.420 nan 0.000 0.222 217 P C 0.519 177.823 177.300 0.007 0.000 1.147 217 P CA 1.163 64.281 63.100 0.029 0.000 0.790 217 P CB 0.286 32.003 31.700 0.028 0.000 0.780 218 E N -0.028 120.179 120.200 0.011 0.000 2.347 218 E HA -0.079 4.271 4.350 0.000 0.000 0.196 218 E C 0.640 177.242 176.600 0.003 0.000 1.008 218 E CA 0.821 57.228 56.400 0.012 0.000 0.852 218 E CB -0.369 29.342 29.700 0.019 0.000 0.783 218 E HN 0.300 nan 8.360 nan 0.000 0.505 219 D N -0.129 120.250 120.400 -0.035 0.000 2.670 219 D HA 0.149 4.789 4.640 0.000 0.000 0.255 219 D C -0.318 175.762 176.300 -0.368 0.000 1.286 219 D CA -0.054 53.887 54.000 -0.099 0.000 0.830 219 D CB 0.353 41.126 40.800 -0.046 0.000 1.065 219 D HN 0.152 nan 8.370 nan 0.000 0.486 220 I N 1.118 121.517 120.570 -0.285 0.000 2.291 220 I HA 0.087 4.257 4.170 0.000 0.000 0.292 220 I C 1.387 177.358 176.117 -0.243 0.000 1.064 220 I CA -0.344 60.700 61.300 -0.427 0.000 1.269 220 I CB 0.640 38.520 38.000 -0.200 0.000 1.418 220 I HN -0.009 nan 8.210 nan 0.000 0.485 221 H N 5.922 124.916 119.070 -0.127 0.000 2.352 221 H HA 0.030 4.586 4.556 0.000 0.000 0.299 221 H C 0.240 175.639 175.328 0.118 0.000 1.097 221 H CA 0.785 56.862 56.048 0.049 0.000 1.311 221 H CB 0.371 30.241 29.762 0.180 0.000 1.377 221 H HN 0.342 nan 8.280 nan 0.000 0.504 222 I N 1.480 122.131 120.570 0.135 0.000 2.466 222 I HA 0.219 4.389 4.170 0.000 0.000 0.279 222 I C -2.542 173.655 176.117 0.133 0.000 1.033 222 I CA -2.638 58.780 61.300 0.196 0.000 1.123 222 I CB 1.602 39.722 38.000 0.200 0.000 1.237 222 I HN -0.180 nan 8.210 nan 0.000 0.460 223 P HA 0.065 nan 4.420 nan 0.000 0.267 223 P C 0.839 178.179 177.300 0.067 0.000 1.200 223 P CA -0.156 62.988 63.100 0.074 0.000 0.772 223 P CB 0.586 32.297 31.700 0.017 0.000 0.855 224 K N 3.422 123.847 120.400 0.043 0.000 2.173 224 K HA -0.207 4.113 4.320 0.000 0.000 0.207 224 K C 1.698 178.311 176.600 0.022 0.000 1.046 224 K CA 1.630 57.946 56.287 0.048 0.000 0.929 224 K CB -0.988 31.547 32.500 0.060 0.000 0.720 224 K HN 0.342 nan 8.250 nan 0.000 0.453 225 I N 0.484 121.012 120.570 -0.070 0.000 2.399 225 I HA -0.278 3.892 4.170 0.000 0.000 0.254 225 I C 1.154 177.222 176.117 -0.082 0.000 1.146 225 I CA 1.310 62.530 61.300 -0.133 0.000 1.412 225 I CB 0.052 37.876 38.000 -0.294 0.000 1.076 225 I HN 0.157 nan 8.210 nan 0.000 0.432 226 Y N -0.226 120.098 120.300 0.040 0.000 2.500 226 Y HA 0.198 4.748 4.550 0.000 0.000 0.270 226 Y C 0.750 176.531 175.900 -0.197 0.000 1.134 226 Y CA -0.140 57.938 58.100 -0.037 0.000 1.293 226 Y CB -0.087 38.359 38.460 -0.023 0.000 1.063 226 Y HN -0.167 nan 8.280 nan 0.000 0.534 227 V N 1.104 121.052 119.914 0.057 0.000 2.288 227 V HA 0.109 4.229 4.120 0.000 0.000 0.266 227 V C 0.350 176.472 176.094 0.048 0.000 1.048 227 V CA -0.359 61.924 62.300 -0.028 0.000 0.842 227 V CB 0.136 31.954 31.823 -0.009 0.000 1.064 227 V HN 0.458 nan 8.190 nan 0.000 0.472 228 H N 3.216 122.301 119.070 0.025 0.000 2.329 228 H HA 0.246 4.802 4.556 0.000 0.000 0.306 228 H C 0.697 176.044 175.328 0.032 0.000 1.062 228 H CA 0.361 56.423 56.048 0.022 0.000 1.364 228 H CB 0.398 30.175 29.762 0.025 0.000 1.409 228 H HN 0.398 nan 8.280 nan 0.000 0.519 229 R N 1.110 121.707 120.500 0.161 0.000 2.480 229 R HA 0.413 4.753 4.340 0.000 0.000 0.306 229 R C -1.732 174.591 176.300 0.038 0.000 0.958 229 R CA -0.869 55.340 56.100 0.182 0.000 0.861 229 R CB 2.583 32.985 30.300 0.170 0.000 1.171 229 R HN 0.008 nan 8.270 nan 0.000 0.445 230 L N 3.164 124.373 121.223 -0.024 0.000 2.385 230 L HA 0.596 4.936 4.340 0.000 0.000 0.273 230 L C -1.368 175.535 176.870 0.054 0.000 0.990 230 L CA -0.828 53.935 54.840 -0.129 0.000 0.821 230 L CB 2.119 43.857 42.059 -0.536 0.000 1.279 230 L HN 0.426 nan 8.230 nan 0.000 0.412 231 V N 5.125 125.096 119.914 0.096 0.000 2.808 231 V HA 0.485 4.605 4.120 0.000 0.000 0.308 231 V C -0.657 175.535 176.094 0.163 0.000 1.099 231 V CA -0.842 61.556 62.300 0.163 0.000 0.920 231 V CB 2.085 33.985 31.823 0.128 0.000 1.014 231 V HN 0.888 nan 8.190 nan 0.000 0.425 232 K N 4.286 124.795 120.400 0.181 0.000 2.298 232 K HA 0.532 4.852 4.320 0.000 0.000 0.280 232 K C 0.299 177.008 176.600 0.181 0.000 1.032 232 K CA 0.246 56.647 56.287 0.189 0.000 0.958 232 K CB 0.950 33.548 32.500 0.164 0.000 0.978 232 K HN 0.957 nan 8.250 nan 0.000 0.472 233 G N 2.854 111.821 108.800 0.278 0.000 2.403 233 G HA2 -0.005 3.955 3.960 0.000 0.000 0.259 233 G HA3 -0.005 3.955 3.960 0.000 0.000 0.259 233 G C 0.742 175.617 174.900 -0.040 0.000 1.244 233 G CA -0.481 44.666 45.100 0.078 0.000 0.849 233 G HN 0.878 nan 8.290 nan 0.000 0.532 234 E N 1.668 121.792 120.200 -0.126 0.000 2.112 234 E HA -0.049 4.301 4.350 0.000 0.000 0.190 234 E C 0.629 177.143 176.600 -0.144 0.000 0.979 234 E CA 0.812 57.164 56.400 -0.079 0.000 0.814 234 E CB 0.308 29.977 29.700 -0.052 0.000 0.762 234 E HN 0.427 nan 8.360 nan 0.000 0.460 235 K N -0.109 120.098 120.400 -0.322 0.000 2.502 235 K HA 0.283 4.603 4.320 0.000 0.000 0.254 235 K C -1.928 174.376 176.600 -0.494 0.000 0.947 235 K CA -0.576 55.546 56.287 -0.275 0.000 0.834 235 K CB 1.154 33.577 32.500 -0.128 0.000 1.112 235 K HN -0.136 nan 8.250 nan 0.000 0.427 236 Y N 2.377 122.736 120.300 0.097 0.000 2.388 236 Y HA 0.192 4.742 4.550 0.000 0.000 0.328 236 Y C 0.683 176.649 175.900 0.110 0.000 0.963 236 Y CA -0.684 57.485 58.100 0.114 0.000 1.240 236 Y CB 1.793 40.317 38.460 0.107 0.000 1.118 236 Y HN 0.660 nan 8.280 nan 0.000 0.484 237 E N 2.115 122.478 120.200 0.270 0.000 2.427 237 E HA -0.066 4.284 4.350 0.000 0.000 0.196 237 E C 0.235 176.898 176.600 0.105 0.000 1.028 237 E CA 0.158 56.654 56.400 0.160 0.000 0.864 237 E CB 0.161 29.942 29.700 0.135 0.000 0.813 237 E HN 0.430 nan 8.360 nan 0.000 0.514 238 K N 1.318 121.817 120.400 0.164 0.000 3.071 238 K HA -0.213 4.107 4.320 0.000 0.000 0.262 238 K C -0.500 176.119 176.600 0.033 0.000 0.977 238 K CA 0.600 56.945 56.287 0.096 0.000 0.721 238 K CB -1.507 31.033 32.500 0.066 0.000 1.293 238 K HN 0.259 nan 8.250 nan 0.000 0.475 239 R N 0.192 120.701 120.500 0.016 0.000 2.537 239 R HA 0.232 4.572 4.340 0.000 0.000 0.280 239 R C 0.743 177.027 176.300 -0.027 0.000 1.058 239 R CA 0.155 56.194 56.100 -0.103 0.000 1.057 239 R CB 0.361 30.463 30.300 -0.330 0.000 0.973 239 R HN 0.182 nan 8.270 nan 0.000 0.438 240 I N 1.993 122.532 120.570 -0.051 0.000 2.410 240 I HA 0.056 4.226 4.170 0.000 0.000 0.286 240 I C 1.400 177.502 176.117 -0.026 0.000 1.009 240 I CA -0.212 61.077 61.300 -0.018 0.000 1.111 240 I CB 1.924 39.913 38.000 -0.018 0.000 1.262 240 I HN 0.694 nan 8.210 nan 0.000 0.443 241 E N 5.987 126.187 120.200 -0.000 0.000 2.047 241 E HA -0.016 4.334 4.350 0.000 0.000 0.191 241 E C 0.385 176.980 176.600 -0.008 0.000 0.987 241 E CA 1.131 57.531 56.400 0.000 0.000 0.799 241 E CB 0.457 30.170 29.700 0.022 0.000 0.752 241 E HN 0.473 nan 8.360 nan 0.000 0.449 242 R N 0.850 121.346 120.500 -0.005 0.000 2.412 242 R HA 0.261 4.601 4.340 0.000 0.000 0.304 242 R C -1.380 174.893 176.300 -0.045 0.000 1.066 242 R CA -0.633 55.453 56.100 -0.024 0.000 0.923 242 R CB 1.455 31.746 30.300 -0.014 0.000 1.156 242 R HN 0.071 nan 8.270 nan 0.000 0.513 243 L N 2.582 123.772 121.223 -0.056 0.000 2.325 243 L HA 0.286 4.626 4.340 0.000 0.000 0.284 243 L C -0.783 176.017 176.870 -0.117 0.000 1.089 243 L CA 0.486 55.286 54.840 -0.066 0.000 0.836 243 L CB 1.130 43.159 42.059 -0.050 0.000 1.184 243 L HN 0.428 nan 8.230 nan 0.000 0.444 244 S N 4.607 120.207 115.700 -0.168 0.000 2.669 244 S HA 0.632 5.102 4.470 0.000 0.000 0.315 244 S C -0.574 173.899 174.600 -0.213 0.000 1.106 244 S CA -0.648 57.350 58.200 -0.336 0.000 1.107 244 S CB 1.295 64.066 63.200 -0.715 0.000 0.990 244 S HN 0.363 nan 8.310 nan 0.000 0.471 245 V N 4.291 124.130 119.914 -0.125 0.000 2.513 245 V HA 0.549 4.669 4.120 0.000 0.000 0.299 245 V C 0.498 176.611 176.094 0.031 0.000 1.035 245 V CA -1.116 61.175 62.300 -0.015 0.000 0.889 245 V CB 1.703 33.518 31.823 -0.014 0.000 0.988 245 V HN 0.916 nan 8.190 nan 0.000 0.440 246 R N 3.785 124.347 120.500 0.104 0.000 2.531 246 R HA 0.600 4.940 4.340 0.000 0.000 0.260 246 R C -0.049 176.282 176.300 0.051 0.000 1.144 246 R CA -0.707 55.462 56.100 0.113 0.000 1.171 246 R CB 1.272 31.650 30.300 0.130 0.000 1.199 246 R HN 0.587 nan 8.270 nan 0.000 0.594 247 K N -0.245 120.178 120.400 0.038 0.000 4.324 247 K HA 0.383 4.703 4.320 0.000 0.000 0.228 247 K C -0.417 176.189 176.600 0.010 0.000 1.063 247 K CA -0.597 55.701 56.287 0.019 0.000 1.901 247 K CB 0.442 32.950 32.500 0.014 0.000 2.896 247 K HN 0.668 nan 8.250 nan 0.000 0.708 261 N N -0.161 118.526 118.700 -0.021 0.000 2.313 261 N HA 0.062 4.802 4.740 0.000 0.000 0.207 261 N C 0.876 176.317 175.510 -0.114 0.000 1.141 261 N CA 0.029 53.051 53.050 -0.046 0.000 0.830 261 N CB 0.475 38.951 38.487 -0.018 0.000 1.008 261 N HN 0.202 nan 8.380 nan 0.000 0.481 262 V N 0.291 120.141 119.914 -0.106 0.000 2.500 262 V HA 0.053 4.173 4.120 0.000 0.000 0.243 262 V C 2.650 178.660 176.094 -0.141 0.000 1.039 262 V CA 1.020 63.226 62.300 -0.157 0.000 1.053 262 V CB -0.386 31.375 31.823 -0.104 0.000 0.695 262 V HN 0.332 nan 8.190 nan 0.000 0.463 263 R N 0.300 120.752 120.500 -0.079 0.000 2.062 263 R HA -0.182 4.158 4.340 0.000 0.000 0.231 263 R C 2.371 178.637 176.300 -0.056 0.000 1.136 263 R CA 1.955 58.025 56.100 -0.050 0.000 0.948 263 R CB -0.384 29.908 30.300 -0.012 0.000 0.845 263 R HN 0.586 nan 8.270 nan 0.000 0.430 264 E N 0.674 120.845 120.200 -0.048 0.000 2.097 264 E HA -0.298 4.052 4.350 0.000 0.000 0.196 264 E C 2.077 178.603 176.600 -0.124 0.000 1.000 264 E CA 1.511 57.886 56.400 -0.042 0.000 0.804 264 E CB -0.095 29.595 29.700 -0.016 0.000 0.740 264 E HN 0.275 nan 8.360 nan 0.000 0.454 265 R N 0.132 120.521 120.500 -0.185 0.000 2.096 265 R HA -0.103 4.237 4.340 0.000 0.000 0.235 265 R C 2.445 178.596 176.300 -0.247 0.000 1.127 265 R CA 1.521 57.444 56.100 -0.296 0.000 0.968 265 R CB -0.137 29.839 30.300 -0.540 0.000 0.861 265 R HN 0.269 nan 8.270 nan 0.000 0.440 266 I N -0.125 120.334 120.570 -0.185 0.000 2.333 266 I HA -0.203 3.967 4.170 0.000 0.000 0.246 266 I C 2.047 178.106 176.117 -0.097 0.000 1.106 266 I CA 0.845 62.068 61.300 -0.130 0.000 1.411 266 I CB -0.144 37.801 38.000 -0.091 0.000 1.082 266 I HN 0.160 nan 8.210 nan 0.000 0.420 267 I N 0.998 121.521 120.570 -0.077 0.000 2.163 267 I HA -0.324 3.846 4.170 0.000 0.000 0.243 267 I C 2.350 178.376 176.117 -0.151 0.000 1.085 267 I CA 1.673 62.951 61.300 -0.037 0.000 1.347 267 I CB -0.435 37.592 38.000 0.045 0.000 1.044 267 I HN 0.182 nan 8.210 nan 0.000 0.408 268 K N 0.009 120.237 120.400 -0.288 0.000 2.288 268 K HA -0.154 4.166 4.320 0.000 0.000 0.201 268 K C 2.176 178.656 176.600 -0.201 0.000 1.048 268 K CA 0.631 56.671 56.287 -0.411 0.000 0.956 268 K CB -0.026 32.208 32.500 -0.442 0.000 0.746 268 K HN 0.071 nan 8.250 nan 0.000 0.461 269 R N 1.212 121.635 120.500 -0.128 0.000 2.100 269 R HA 0.094 4.434 4.340 0.000 0.000 0.220 269 R C 1.850 178.099 176.300 -0.085 0.000 1.091 269 R CA 1.334 57.387 56.100 -0.078 0.000 0.986 269 R CB -0.564 29.701 30.300 -0.059 0.000 0.888 269 R HN 0.084 nan 8.270 nan 0.000 0.444 270 A N 0.687 123.452 122.820 -0.092 0.000 1.933 270 A HA -0.028 4.292 4.320 0.000 0.000 0.218 270 A C 2.320 179.806 177.584 -0.163 0.000 1.175 270 A CA 1.724 53.688 52.037 -0.122 0.000 0.628 270 A CB -1.051 17.904 19.000 -0.075 0.000 0.814 270 A HN 0.443 nan 8.150 nan 0.000 0.444 271 A N -0.361 122.453 122.820 -0.010 0.000 2.076 271 A HA -0.023 4.297 4.320 0.000 0.000 0.220 271 A C 1.917 179.581 177.584 0.133 0.000 1.160 271 A CA 1.354 53.513 52.037 0.204 0.000 0.653 271 A CB -0.562 18.578 19.000 0.233 0.000 0.801 271 A HN 0.500 nan 8.150 nan 0.000 0.455 272 L N -0.552 120.665 121.223 -0.010 0.000 2.610 272 L HA -0.010 4.330 4.340 0.000 0.000 0.232 272 L C 1.722 178.550 176.870 -0.070 0.000 1.149 272 L CA 0.227 55.063 54.840 -0.006 0.000 0.872 272 L CB -0.302 41.747 42.059 -0.018 0.000 0.992 272 L HN 0.288 nan 8.230 nan 0.000 0.447 273 E N 0.183 120.250 120.200 -0.223 0.000 2.427 273 E HA 0.012 4.362 4.350 0.000 0.000 0.196 273 E C 0.299 176.736 176.600 -0.272 0.000 1.028 273 E CA 0.306 56.538 56.400 -0.280 0.000 0.864 273 E CB 0.048 29.515 29.700 -0.388 0.000 0.813 273 E HN 0.205 nan 8.360 nan 0.000 0.514 274 F N 1.633 121.579 119.950 -0.006 0.000 2.418 274 F HA 0.165 4.692 4.527 0.000 0.000 0.341 274 F C 0.955 176.738 175.800 -0.029 0.000 1.120 274 F CA 0.037 58.025 58.000 -0.020 0.000 1.232 274 F CB 0.610 39.598 39.000 -0.020 0.000 1.175 274 F HN -0.239 nan 8.300 nan 0.000 0.569 275 E N 0.093 120.392 120.200 0.165 0.000 2.366 275 E HA 0.172 4.522 4.350 0.000 0.000 0.278 275 E C -1.820 174.782 176.600 0.003 0.000 0.923 275 E CA -1.141 55.294 56.400 0.059 0.000 0.761 275 E CB 2.092 31.812 29.700 0.033 0.000 1.231 275 E HN 0.390 nan 8.360 nan 0.000 0.443 276 D N -0.001 120.383 120.400 -0.026 0.000 2.458 276 D HA 0.242 4.882 4.640 0.000 0.000 0.243 276 D C 1.094 177.337 176.300 -0.095 0.000 1.146 276 D CA 2.307 56.262 54.000 -0.074 0.000 0.877 276 D CB 0.544 41.311 40.800 -0.055 0.000 1.176 276 D HN 0.668 nan 8.370 nan 0.000 0.461 277 G N 3.167 111.862 108.800 -0.174 0.000 2.199 277 G HA2 -0.319 3.641 3.960 0.000 0.000 0.254 277 G HA3 -0.319 3.641 3.960 0.000 0.000 0.254 277 G C 0.579 175.303 174.900 -0.292 0.000 0.982 277 G CA 0.366 45.354 45.100 -0.188 0.000 0.632 277 G HN 0.642 nan 8.290 nan 0.000 0.529 278 M N 0.631 120.091 119.600 -0.232 0.000 2.245 278 M HA 0.567 5.047 4.480 0.000 0.000 0.344 278 M C -0.443 175.672 176.300 -0.307 0.000 1.170 278 M CA -0.174 55.025 55.300 -0.168 0.000 1.135 278 M CB 0.298 32.893 32.600 -0.009 0.000 1.574 278 M HN 0.107 nan 8.290 nan 0.000 0.452 279 Y N 3.439 123.801 120.300 0.103 0.000 2.331 279 Y HA 0.673 5.223 4.550 0.000 0.000 0.338 279 Y C 0.011 175.971 175.900 0.100 0.000 0.992 279 Y CA -0.508 57.660 58.100 0.115 0.000 1.121 279 Y CB 1.542 40.058 38.460 0.093 0.000 1.184 279 Y HN 0.781 nan 8.280 nan 0.000 0.469 280 A N 3.534 126.493 122.820 0.230 0.000 2.515 280 A HA 0.535 4.855 4.320 0.000 0.000 0.298 280 A C -1.382 176.298 177.584 0.161 0.000 1.059 280 A CA -0.900 51.254 52.037 0.194 0.000 0.698 280 A CB 1.567 20.724 19.000 0.261 0.000 1.289 280 A HN 0.675 nan 8.150 nan 0.000 0.404 281 N N 1.912 120.687 118.700 0.125 0.000 2.372 281 N HA 0.622 5.362 4.740 0.000 0.000 0.291 281 N C -1.593 173.978 175.510 0.100 0.000 1.024 281 N CA -0.219 52.885 53.050 0.091 0.000 0.873 281 N CB 1.054 39.573 38.487 0.053 0.000 1.206 281 N HN 0.614 nan 8.380 nan 0.000 0.486 282 L N 1.818 123.101 121.223 0.099 0.000 2.365 282 L HA 0.533 4.873 4.340 0.000 0.000 0.273 282 L C 1.185 178.106 176.870 0.085 0.000 1.000 282 L CA -1.099 53.806 54.840 0.108 0.000 0.819 282 L CB 1.906 44.054 42.059 0.149 0.000 1.284 282 L HN 0.487 nan 8.230 nan 0.000 0.418 283 G N 2.130 110.978 108.800 0.079 0.000 2.606 283 G HA2 0.465 4.425 3.960 0.000 0.000 0.252 283 G HA3 0.465 4.425 3.960 0.000 0.000 0.252 283 G C -0.044 174.900 174.900 0.073 0.000 1.206 283 G CA -0.629 44.514 45.100 0.071 0.000 0.861 283 G HN 0.466 nan 8.290 nan 0.000 0.561 284 I N 1.187 121.797 120.570 0.066 0.000 2.752 284 I HA 0.299 4.469 4.170 0.000 0.000 0.287 284 I C 1.454 177.614 176.117 0.072 0.000 1.188 284 I CA 1.899 63.241 61.300 0.071 0.000 1.427 284 I CB 0.318 38.349 38.000 0.052 0.000 1.365 284 I HN 1.037 nan 8.210 nan 0.000 0.585 285 G N 4.799 113.649 108.800 0.083 0.000 2.554 285 G HA2 -0.279 3.681 3.960 0.000 0.000 0.253 285 G HA3 -0.279 3.681 3.960 0.000 0.000 0.253 285 G C 0.694 175.645 174.900 0.085 0.000 1.172 285 G CA 0.124 45.271 45.100 0.079 0.000 0.950 285 G HN 0.547 nan 8.290 nan 0.000 0.557 286 I N 2.609 123.223 120.570 0.073 0.000 2.091 286 I HA -0.155 4.015 4.170 0.000 0.000 0.239 286 I C 0.184 176.359 176.117 0.098 0.000 1.061 286 I CA 2.604 63.951 61.300 0.077 0.000 1.317 286 I CB -1.117 36.911 38.000 0.047 0.000 1.031 286 I HN 0.350 nan 8.210 nan 0.000 0.401 287 P HA -0.209 nan 4.420 nan 0.000 0.216 287 P C 1.798 179.197 177.300 0.165 0.000 1.153 287 P CA 1.336 64.502 63.100 0.109 0.000 0.858 287 P CB -0.010 31.740 31.700 0.084 0.000 0.789 288 L N -1.380 119.918 121.223 0.125 0.000 2.156 288 L HA -0.051 4.289 4.340 0.000 0.000 0.208 288 L C 2.057 178.983 176.870 0.094 0.000 1.095 288 L CA 1.567 56.469 54.840 0.102 0.000 0.770 288 L CB -1.207 40.899 42.059 0.077 0.000 0.914 288 L HN -0.116 nan 8.230 nan 0.000 0.439 289 L N -0.692 120.604 121.223 0.122 0.000 2.141 289 L HA -0.093 4.247 4.340 0.000 0.000 0.209 289 L C 2.595 179.605 176.870 0.233 0.000 1.094 289 L CA 0.927 55.849 54.840 0.136 0.000 0.763 289 L CB -0.789 41.362 42.059 0.153 0.000 0.908 289 L HN 0.346 nan 8.230 nan 0.000 0.437 290 A N 0.029 123.027 122.820 0.297 0.000 2.019 290 A HA -0.198 4.122 4.320 0.000 0.000 0.219 290 A C 2.505 180.367 177.584 0.464 0.000 1.164 290 A CA 1.679 53.992 52.037 0.460 0.000 0.644 290 A CB -0.578 18.648 19.000 0.377 0.000 0.805 290 A HN 0.514 nan 8.150 nan 0.000 0.449 291 S N 0.514 116.350 115.700 0.228 0.000 2.442 291 S HA -0.158 4.312 4.470 0.000 0.000 0.236 291 S C 1.469 175.966 174.600 -0.172 0.000 1.007 291 S CA 1.196 59.300 58.200 -0.159 0.000 0.965 291 S CB -0.701 62.396 63.200 -0.172 0.000 0.773 291 S HN 0.619 nan 8.310 nan 0.000 0.504 292 N N 0.484 119.115 118.700 -0.115 0.000 2.512 292 N HA 0.054 4.794 4.740 0.000 0.000 0.183 292 N C -0.027 175.249 175.510 -0.390 0.000 1.073 292 N CA 0.801 53.678 53.050 -0.287 0.000 0.911 292 N CB -0.239 38.028 38.487 -0.367 0.000 0.964 292 N HN 0.515 nan 8.380 nan 0.000 0.447 293 F N 0.574 120.508 119.950 -0.026 0.000 2.639 293 F HA 0.373 4.900 4.527 0.000 0.000 0.302 293 F C 0.738 176.528 175.800 -0.016 0.000 1.097 293 F CA -0.389 57.613 58.000 0.004 0.000 1.294 293 F CB 0.202 39.238 39.000 0.061 0.000 1.027 293 F HN -0.190 nan 8.300 nan 0.000 0.550 294 I N 0.039 120.601 120.570 -0.013 0.000 2.496 294 I HA 0.029 4.199 4.170 0.000 0.000 0.285 294 I C 0.986 177.062 176.117 -0.069 0.000 1.080 294 I CA -0.302 60.934 61.300 -0.106 0.000 1.404 294 I CB 0.922 38.685 38.000 -0.394 0.000 1.403 294 I HN -0.064 nan 8.210 nan 0.000 0.539 295 S N 7.186 122.870 115.700 -0.027 0.000 2.560 295 S HA 0.135 4.605 4.470 0.000 0.000 0.284 295 S C -1.598 172.965 174.600 -0.062 0.000 1.327 295 S CA -0.958 57.226 58.200 -0.025 0.000 1.055 295 S CB 0.746 63.943 63.200 -0.005 0.000 0.868 295 S HN 0.368 nan 8.310 nan 0.000 0.506 296 P HA 0.072 nan 4.420 nan 0.000 0.239 296 P C -0.041 177.226 177.300 -0.056 0.000 1.184 296 P CA 0.831 63.893 63.100 -0.063 0.000 0.760 296 P CB -0.094 31.576 31.700 -0.049 0.000 0.884 297 N N -1.836 116.836 118.700 -0.047 0.000 2.236 297 N HA 0.168 4.908 4.740 0.000 0.000 0.196 297 N C 0.337 175.815 175.510 -0.052 0.000 1.114 297 N CA -0.114 52.912 53.050 -0.040 0.000 0.859 297 N CB 0.184 38.656 38.487 -0.024 0.000 0.982 297 N HN 0.135 nan 8.380 nan 0.000 0.493 298 M N 1.199 120.756 119.600 -0.073 0.000 2.321 298 M HA 0.284 4.764 4.480 0.000 0.000 0.315 298 M C -1.307 174.900 176.300 -0.155 0.000 1.052 298 M CA -0.408 54.835 55.300 -0.095 0.000 0.936 298 M CB 1.495 34.050 32.600 -0.074 0.000 1.639 298 M HN -0.153 nan 8.290 nan 0.000 0.433 299 T N 4.001 118.440 114.554 -0.192 0.000 2.749 299 T HA 0.579 4.929 4.350 0.000 0.000 0.287 299 T C -0.644 173.787 174.700 -0.448 0.000 0.970 299 T CA -0.588 61.326 62.100 -0.310 0.000 0.980 299 T CB 0.983 69.676 68.868 -0.291 0.000 0.924 299 T HN 0.457 nan 8.240 nan 0.000 0.456 300 V N 4.165 123.785 119.914 -0.489 0.000 2.588 300 V HA 0.369 4.489 4.120 0.000 0.000 0.304 300 V C -0.660 175.136 176.094 -0.498 0.000 1.042 300 V CA -1.009 61.016 62.300 -0.459 0.000 0.877 300 V CB 1.711 33.318 31.823 -0.360 0.000 0.996 300 V HN 0.838 nan 8.190 nan 0.000 0.425 301 H N 4.965 123.923 119.070 -0.188 0.000 2.541 301 H HA 0.482 5.038 4.556 0.000 0.000 0.316 301 H C -0.530 174.818 175.328 0.034 0.000 1.043 301 H CA -0.434 55.571 56.048 -0.071 0.000 1.232 301 H CB 1.628 31.368 29.762 -0.036 0.000 1.406 301 H HN 0.432 nan 8.280 nan 0.000 0.469 302 L N 3.182 124.475 121.223 0.116 0.000 2.281 302 L HA 0.167 4.507 4.340 0.000 0.000 0.285 302 L C 0.782 177.714 176.870 0.104 0.000 1.074 302 L CA -0.305 54.587 54.840 0.087 0.000 0.817 302 L CB 0.923 42.989 42.059 0.011 0.000 1.168 302 L HN 0.383 nan 8.230 nan 0.000 0.434 303 Q N 2.473 122.342 119.800 0.115 0.000 2.256 303 Q HA 0.243 4.583 4.340 0.000 0.000 0.254 303 Q C -0.938 175.076 176.000 0.022 0.000 0.916 303 Q CA -0.033 55.826 55.803 0.093 0.000 0.932 303 Q CB 1.958 30.750 28.738 0.090 0.000 1.207 303 Q HN 0.560 nan 8.270 nan 0.000 0.426 304 S N 2.732 118.419 115.700 -0.022 0.000 2.474 304 S HA 0.109 4.579 4.470 0.000 0.000 0.321 304 S C 0.930 175.416 174.600 -0.189 0.000 1.080 304 S CA -0.580 57.560 58.200 -0.099 0.000 1.106 304 S CB 0.612 63.738 63.200 -0.122 0.000 0.984 304 S HN 0.651 nan 8.310 nan 0.000 0.464 305 E N 3.837 123.900 120.200 -0.228 0.000 2.396 305 E HA -0.178 4.172 4.350 0.000 0.000 0.200 305 E C 0.520 176.896 176.600 -0.374 0.000 1.023 305 E CA 0.840 56.989 56.400 -0.418 0.000 0.857 305 E CB -0.420 29.076 29.700 -0.341 0.000 0.775 305 E HN 0.730 nan 8.360 nan 0.000 0.525 306 N N 0.860 119.271 118.700 -0.483 0.000 2.370 306 N HA 0.053 4.793 4.740 0.000 0.000 0.198 306 N C 0.822 176.046 175.510 -0.478 0.000 1.156 306 N CA 0.668 53.303 53.050 -0.693 0.000 0.839 306 N CB 0.507 38.110 38.487 -1.474 0.000 0.989 306 N HN 0.288 nan 8.380 nan 0.000 0.468 307 G N 0.254 108.773 108.800 -0.467 0.000 2.237 307 G HA2 -0.117 3.843 3.960 0.000 0.000 0.153 307 G HA3 -0.117 3.843 3.960 0.000 0.000 0.153 307 G C -0.639 173.533 174.900 -1.213 0.000 1.039 307 G CA -0.372 44.253 45.100 -0.792 0.000 0.719 307 G HN 0.331 nan 8.290 nan 0.000 0.491 308 I N -0.315 119.748 120.570 -0.845 0.000 2.582 308 I HA 0.669 4.839 4.170 0.000 0.000 0.292 308 I C -0.675 175.353 176.117 -0.148 0.000 1.066 308 I CA -1.333 59.638 61.300 -0.548 0.000 1.053 308 I CB 2.169 40.043 38.000 -0.209 0.000 1.241 308 I HN 0.056 nan 8.210 nan 0.000 0.421 309 L N 5.303 126.518 121.223 -0.014 0.000 2.372 309 L HA 0.826 5.166 4.340 0.000 0.000 0.273 309 L C 0.178 177.047 176.870 -0.000 0.000 0.989 309 L CA 0.116 55.043 54.840 0.145 0.000 0.841 309 L CB 1.349 43.550 42.059 0.235 0.000 1.225 309 L HN 0.803 nan 8.230 nan 0.000 0.414 310 G N 4.721 113.542 108.800 0.035 0.000 2.468 310 G HA2 -0.122 3.838 3.960 0.000 0.000 0.143 310 G HA3 -0.122 3.838 3.960 0.000 0.000 0.143 310 G C -0.294 174.591 174.900 -0.026 0.000 1.065 310 G CA -0.327 44.784 45.100 0.018 0.000 0.776 310 G HN 0.602 nan 8.290 nan 0.000 0.486 311 L N 0.276 121.488 121.223 -0.018 0.000 2.485 311 L HA 0.480 4.820 4.340 0.000 0.000 0.275 311 L C 1.438 178.273 176.870 -0.059 0.000 1.207 311 L CA 0.929 55.745 54.840 -0.040 0.000 0.855 311 L CB 0.698 42.734 42.059 -0.038 0.000 1.114 311 L HN 0.407 nan 8.230 nan 0.000 0.485 312 G N 2.696 111.455 108.800 -0.068 0.000 3.209 312 G HA2 0.636 4.596 3.960 0.000 0.000 0.236 312 G HA3 0.636 4.596 3.960 0.000 0.000 0.236 312 G C -2.727 172.090 174.900 -0.139 0.000 1.329 312 G CA -0.714 44.333 45.100 -0.089 0.000 1.015 312 G HN 0.427 nan 8.290 nan 0.000 0.571 313 P HA 0.236 nan 4.420 nan 0.000 0.277 313 P C -0.941 176.263 177.300 -0.160 0.000 1.271 313 P CA -0.395 62.571 63.100 -0.224 0.000 0.795 313 P CB 0.631 32.246 31.700 -0.143 0.000 1.101 314 Y N 0.089 120.377 120.300 -0.020 0.000 2.511 314 Y HA 0.119 4.669 4.550 0.000 0.000 0.347 314 Y C -1.270 174.623 175.900 -0.012 0.000 1.257 314 Y CA -1.744 56.349 58.100 -0.011 0.000 1.469 314 Y CB -1.206 37.249 38.460 -0.009 0.000 1.353 314 Y HN 0.315 nan 8.280 nan 0.000 0.617 315 P HA 0.177 nan 4.420 nan 0.000 0.276 315 P C -0.662 176.680 177.300 0.070 0.000 1.244 315 P CA -0.245 62.907 63.100 0.086 0.000 0.801 315 P CB 1.136 32.874 31.700 0.064 0.000 1.006 316 L N 1.476 122.724 121.223 0.042 0.000 2.456 316 L HA 0.164 4.504 4.340 0.000 0.000 0.257 316 L C 2.469 179.352 176.870 0.022 0.000 1.162 316 L CA -0.297 54.561 54.840 0.029 0.000 0.808 316 L CB -0.111 41.959 42.059 0.019 0.000 1.136 316 L HN 0.482 nan 8.230 nan 0.000 0.466 317 Q N 1.075 120.883 119.800 0.014 0.000 2.197 317 Q HA -0.262 4.078 4.340 0.000 0.000 0.211 317 Q C 1.659 177.664 176.000 0.008 0.000 0.993 317 Q CA 2.193 58.000 55.803 0.007 0.000 0.883 317 Q CB -0.080 28.660 28.738 0.003 0.000 0.916 317 Q HN 0.739 nan 8.270 nan 0.000 0.418 318 N N -0.501 118.205 118.700 0.009 0.000 2.494 318 N HA -0.142 4.598 4.740 0.000 0.000 0.182 318 N C 0.367 175.882 175.510 0.009 0.000 1.076 318 N CA 0.877 53.932 53.050 0.009 0.000 0.908 318 N CB 0.141 38.633 38.487 0.009 0.000 0.967 318 N HN 0.298 nan 8.380 nan 0.000 0.449 319 E N 0.236 120.443 120.200 0.012 0.000 2.481 319 E HA 0.176 4.526 4.350 0.000 0.000 0.198 319 E C -0.287 176.321 176.600 0.012 0.000 1.027 319 E CA -0.302 56.106 56.400 0.013 0.000 0.900 319 E CB 0.943 30.654 29.700 0.018 0.000 0.993 319 E HN 0.061 nan 8.360 nan 0.000 0.482 320 V N 2.329 122.250 119.914 0.011 0.000 2.599 320 V HA -0.001 4.119 4.120 0.000 0.000 0.300 320 V C 0.046 176.140 176.094 -0.000 0.000 1.034 320 V CA 0.451 62.757 62.300 0.009 0.000 1.115 320 V CB 0.535 32.360 31.823 0.004 0.000 0.934 320 V HN 0.143 nan 8.190 nan 0.000 0.485 321 D N 3.362 123.760 120.400 -0.003 0.000 2.855 321 D HA 0.481 5.121 4.640 0.000 0.000 0.241 321 D C 0.545 176.834 176.300 -0.019 0.000 1.277 321 D CA -0.084 53.903 54.000 -0.022 0.000 0.918 321 D CB 2.194 42.968 40.800 -0.043 0.000 1.462 321 D HN 0.475 nan 8.370 nan 0.000 0.559 322 A N 3.315 126.125 122.820 -0.016 0.000 2.076 322 A HA -0.152 4.168 4.320 0.000 0.000 0.220 322 A C 1.351 178.929 177.584 -0.010 0.000 1.160 322 A CA 1.212 53.249 52.037 0.001 0.000 0.653 322 A CB -0.003 19.007 19.000 0.017 0.000 0.801 322 A HN 0.528 nan 8.150 nan 0.000 0.455 323 D N -1.474 118.889 120.400 -0.062 0.000 2.355 323 D HA 0.117 4.757 4.640 0.000 0.000 0.218 323 D C -0.174 176.048 176.300 -0.130 0.000 1.004 323 D CA 0.474 54.406 54.000 -0.112 0.000 0.880 323 D CB 0.279 40.951 40.800 -0.213 0.000 0.911 323 D HN 0.325 nan 8.370 nan 0.000 0.528 324 L N 1.655 122.835 121.223 -0.073 0.000 2.388 324 L HA 0.387 4.727 4.340 0.000 0.000 0.267 324 L C -0.781 176.102 176.870 0.021 0.000 0.995 324 L CA -0.714 54.099 54.840 -0.045 0.000 0.864 324 L CB 0.718 42.761 42.059 -0.027 0.000 1.216 324 L HN -0.094 nan 8.230 nan 0.000 0.430 325 I N 1.278 121.873 120.570 0.041 0.000 2.969 325 I HA 0.710 4.880 4.170 0.000 0.000 0.307 325 I C -0.655 175.511 176.117 0.081 0.000 1.149 325 I CA -0.937 60.419 61.300 0.094 0.000 1.008 325 I CB 2.148 40.236 38.000 0.146 0.000 1.232 325 I HN 0.565 nan 8.210 nan 0.000 0.435 326 N N 2.856 121.626 118.700 0.116 0.000 2.418 326 N HA 0.413 5.153 4.740 0.000 0.000 0.283 326 N C 0.781 176.380 175.510 0.149 0.000 1.267 326 N CA -0.083 53.017 53.050 0.083 0.000 0.975 326 N CB 0.461 39.011 38.487 0.104 0.000 1.167 326 N HN 0.810 nan 8.380 nan 0.000 0.581 327 A N -1.254 121.633 122.820 0.111 0.000 2.067 327 A HA 0.109 4.429 4.320 0.000 0.000 0.219 327 A C 1.851 179.619 177.584 0.307 0.000 1.158 327 A CA 1.319 53.511 52.037 0.258 0.000 0.661 327 A CB -1.460 17.628 19.000 0.145 0.000 0.801 327 A HN 0.797 nan 8.150 nan 0.000 0.452 328 G N -1.306 107.606 108.800 0.186 0.000 2.848 328 G HA2 0.150 4.110 3.960 0.000 0.000 0.208 328 G HA3 0.150 4.110 3.960 0.000 0.000 0.208 328 G C 0.697 175.676 174.900 0.132 0.000 1.152 328 G CA 0.546 45.721 45.100 0.125 0.000 0.789 328 G HN 0.510 nan 8.290 nan 0.000 0.531 329 K N -0.714 119.811 120.400 0.208 0.000 3.291 329 K HA -0.144 4.176 4.320 0.000 0.000 0.290 329 K C -0.311 176.355 176.600 0.111 0.000 1.235 329 K CA 0.884 57.271 56.287 0.167 0.000 0.848 329 K CB -1.308 31.242 32.500 0.083 0.000 1.295 329 K HN 0.579 nan 8.250 nan 0.000 0.497 330 E N 0.843 121.115 120.200 0.120 0.000 2.204 330 E HA 0.211 4.561 4.350 0.000 0.000 0.276 330 E C 0.084 176.744 176.600 0.100 0.000 0.974 330 E CA -0.662 55.779 56.400 0.069 0.000 0.815 330 E CB 1.179 30.917 29.700 0.064 0.000 1.119 330 E HN 0.207 nan 8.360 nan 0.000 0.393 331 T N -0.453 114.130 114.554 0.049 0.000 2.928 331 T HA 0.297 4.647 4.350 0.000 0.000 0.305 331 T C 0.462 175.262 174.700 0.166 0.000 1.035 331 T CA -0.699 61.445 62.100 0.072 0.000 1.145 331 T CB 0.253 69.139 68.868 0.029 0.000 0.963 331 T HN 0.348 nan 8.240 nan 0.000 0.545 332 V N -0.738 119.264 119.914 0.147 0.000 3.076 332 V HA 0.980 5.100 4.120 0.000 0.000 0.311 332 V C -0.177 175.967 176.094 0.083 0.000 1.346 332 V CA -0.647 61.749 62.300 0.160 0.000 1.056 332 V CB 1.531 33.426 31.823 0.120 0.000 1.093 332 V HN 1.301 nan 8.190 nan 0.000 0.468 333 T N -1.209 113.372 114.554 0.046 0.000 2.838 333 T HA 0.874 5.224 4.350 0.000 0.000 0.292 333 T C -0.490 174.214 174.700 0.006 0.000 1.113 333 T CA -0.164 61.953 62.100 0.028 0.000 1.008 333 T CB 1.425 70.301 68.868 0.012 0.000 1.259 333 T HN 2.148 nan 8.240 nan 0.000 0.520 334 V N -0.762 119.152 119.914 -0.000 0.000 2.919 334 V HA 0.789 4.909 4.120 0.000 0.000 0.316 334 V C -0.328 175.741 176.094 -0.041 0.000 1.077 334 V CA -1.340 60.937 62.300 -0.039 0.000 0.977 334 V CB 1.083 32.849 31.823 -0.096 0.000 1.039 334 V HN 0.998 nan 8.190 nan 0.000 0.441 335 L N 1.443 122.638 121.223 -0.046 0.000 2.454 335 L HA 0.548 4.888 4.340 0.000 0.000 0.256 335 L C -2.120 174.730 176.870 -0.034 0.000 1.136 335 L CA -1.818 53.003 54.840 -0.032 0.000 0.804 335 L CB 0.887 42.936 42.059 -0.016 0.000 1.181 335 L HN 0.458 nan 8.230 nan 0.000 0.469 336 P HA 0.076 nan 4.420 nan 0.000 0.269 336 P C 0.488 177.772 177.300 -0.026 0.000 1.215 336 P CA 0.477 63.564 63.100 -0.021 0.000 0.780 336 P CB 0.539 32.234 31.700 -0.008 0.000 0.898 337 G N 0.380 109.156 108.800 -0.040 0.000 2.155 337 G HA2 -0.173 3.787 3.960 0.000 0.000 0.257 337 G HA3 -0.173 3.787 3.960 0.000 0.000 0.257 337 G C 0.491 175.336 174.900 -0.092 0.000 0.983 337 G CA 0.119 45.186 45.100 -0.055 0.000 0.676 337 G HN 0.845 nan 8.290 nan 0.000 0.528 338 A N -0.419 122.331 122.820 -0.117 0.000 2.313 338 A HA 0.868 5.188 4.320 0.000 0.000 0.261 338 A C 0.772 178.201 177.584 -0.258 0.000 1.090 338 A CA 0.919 52.848 52.037 -0.180 0.000 0.807 338 A CB 0.737 19.601 19.000 -0.228 0.000 1.055 338 A HN 1.998 nan 8.150 nan 0.000 0.492 339 S N -1.130 114.391 115.700 -0.299 0.000 2.618 339 S HA 0.762 5.232 4.470 0.000 0.000 0.277 339 S C -1.394 172.901 174.600 -0.508 0.000 1.138 339 S CA -0.639 57.392 58.200 -0.283 0.000 0.844 339 S CB 0.879 64.082 63.200 0.004 0.000 1.127 339 S HN 0.528 nan 8.310 nan 0.000 0.474 340 Y N 0.648 120.865 120.300 -0.138 0.000 2.509 340 Y HA 0.821 5.371 4.550 0.000 0.000 0.341 340 Y C -0.297 175.428 175.900 -0.292 0.000 1.038 340 Y CA -1.235 56.607 58.100 -0.431 0.000 1.089 340 Y CB 1.563 39.834 38.460 -0.316 0.000 1.241 340 Y HN 0.871 nan 8.280 nan 0.000 0.468 341 F N -2.125 117.813 119.950 -0.020 0.000 2.741 341 F HA 0.719 5.246 4.527 0.000 0.000 0.313 341 F C -0.386 175.318 175.800 -0.160 0.000 1.153 341 F CA -1.698 56.234 58.000 -0.113 0.000 0.931 341 F CB 0.462 39.378 39.000 -0.139 0.000 1.335 341 F HN 0.347 nan 8.300 nan 0.000 0.460 342 S N -0.275 115.433 115.700 0.013 0.000 2.617 342 S HA 0.252 4.722 4.470 0.000 0.000 0.259 342 S C 0.715 175.246 174.600 -0.116 0.000 1.301 342 S CA -0.008 58.105 58.200 -0.145 0.000 0.984 342 S CB 1.129 64.221 63.200 -0.181 0.000 0.954 342 S HN 0.682 nan 8.310 nan 0.000 0.572 343 S N 1.362 116.890 115.700 -0.288 0.000 2.399 343 S HA -0.123 4.347 4.470 0.000 0.000 0.231 343 S C 1.683 176.178 174.600 -0.176 0.000 1.022 343 S CA 1.342 59.328 58.200 -0.356 0.000 0.983 343 S CB -0.622 61.900 63.200 -1.129 0.000 0.803 343 S HN 0.905 nan 8.310 nan 0.000 0.480 344 D N 0.929 121.199 120.400 -0.216 0.000 2.194 344 D HA -0.099 4.541 4.640 0.000 0.000 0.204 344 D C 1.778 178.042 176.300 -0.059 0.000 0.964 344 D CA 0.793 54.717 54.000 -0.127 0.000 0.846 344 D CB -0.297 40.403 40.800 -0.167 0.000 0.962 344 D HN 0.296 nan 8.370 nan 0.000 0.490 345 E N 1.387 121.557 120.200 -0.050 0.000 2.072 345 E HA -0.132 4.218 4.350 0.000 0.000 0.190 345 E C 2.078 178.598 176.600 -0.133 0.000 0.982 345 E CA 1.195 57.543 56.400 -0.086 0.000 0.803 345 E CB -0.409 29.271 29.700 -0.033 0.000 0.755 345 E HN 0.121 nan 8.360 nan 0.000 0.453 346 S N -1.100 114.649 115.700 0.082 0.000 2.359 346 S HA -0.146 4.324 4.470 0.000 0.000 0.224 346 S C 1.728 176.167 174.600 -0.269 0.000 1.035 346 S CA 1.382 59.596 58.200 0.024 0.000 1.018 346 S CB -0.491 62.721 63.200 0.020 0.000 0.876 346 S HN 0.360 nan 8.310 nan 0.000 0.448 347 F N 1.560 121.478 119.950 -0.053 0.000 2.367 347 F HA 0.279 4.806 4.527 -0.000 0.000 0.298 347 F C 2.483 178.251 175.800 -0.054 0.000 1.094 347 F CA 0.530 58.504 58.000 -0.044 0.000 1.409 347 F CB -0.658 38.316 39.000 -0.043 0.000 1.064 347 F HN 0.278 nan 8.300 nan 0.000 0.528 348 A N -0.101 122.733 122.820 0.023 0.000 1.902 348 A HA -0.237 4.083 4.320 0.000 0.000 0.217 348 A C 2.278 179.854 177.584 -0.013 0.000 1.181 348 A CA 1.674 53.699 52.037 -0.020 0.000 0.623 348 A CB -0.757 18.182 19.000 -0.101 0.000 0.818 348 A HN 0.389 nan 8.150 nan 0.000 0.443 349 M N -0.655 118.861 119.600 -0.139 0.000 2.080 349 M HA -0.142 4.338 4.480 0.000 0.000 0.260 349 M C 2.012 178.323 176.300 0.019 0.000 1.068 349 M CA 1.868 57.075 55.300 -0.155 0.000 1.109 349 M CB -0.287 32.071 32.600 -0.403 0.000 1.342 349 M HN 0.465 nan 8.290 nan 0.000 0.405 350 I N -0.632 119.911 120.570 -0.045 0.000 2.202 350 I HA -0.290 3.880 4.170 0.000 0.000 0.242 350 I C 2.387 178.557 176.117 0.088 0.000 1.091 350 I CA 1.277 62.579 61.300 0.004 0.000 1.368 350 I CB -0.365 37.595 38.000 -0.067 0.000 1.058 350 I HN 0.272 nan 8.210 nan 0.000 0.410 351 R N 0.489 121.072 120.500 0.139 0.000 2.148 351 R HA -0.048 4.292 4.340 0.000 0.000 0.223 351 R C 2.174 178.536 176.300 0.104 0.000 1.088 351 R CA 1.107 57.296 56.100 0.149 0.000 0.985 351 R CB -0.484 29.926 30.300 0.183 0.000 0.880 351 R HN 0.398 nan 8.270 nan 0.000 0.451 352 G N -0.254 108.607 108.800 0.101 0.000 2.776 352 G HA2 0.019 3.979 3.960 0.000 0.000 0.209 352 G HA3 0.019 3.979 3.960 0.000 0.000 0.209 352 G C 0.894 175.647 174.900 -0.245 0.000 1.145 352 G CA 0.519 45.636 45.100 0.028 0.000 0.791 352 G HN 0.464 nan 8.290 nan 0.000 0.530 353 G N -0.435 108.280 108.800 -0.141 0.000 2.143 353 G HA2 -0.281 3.679 3.960 0.000 0.000 0.248 353 G HA3 -0.281 3.679 3.960 0.000 0.000 0.248 353 G C 0.885 175.627 174.900 -0.264 0.000 0.991 353 G CA 0.545 45.544 45.100 -0.168 0.000 0.689 353 G HN 0.580 nan 8.290 nan 0.000 0.522 354 H N -0.891 118.148 119.070 -0.051 0.000 2.462 354 H HA 0.121 4.677 4.556 0.000 0.000 0.292 354 H C 1.552 176.844 175.328 -0.059 0.000 1.049 354 H CA 1.177 57.168 56.048 -0.095 0.000 1.334 354 H CB 0.246 29.895 29.762 -0.190 0.000 1.404 354 H HN 0.337 nan 8.280 nan 0.000 0.544 355 V N 2.584 122.532 119.914 0.057 0.000 2.530 355 V HA -0.031 4.089 4.120 0.000 0.000 0.282 355 V C 0.761 176.922 176.094 0.111 0.000 1.048 355 V CA 0.073 62.439 62.300 0.110 0.000 0.997 355 V CB 1.234 33.105 31.823 0.080 0.000 0.987 355 V HN 0.385 nan 8.190 nan 0.000 0.477 356 N N 3.231 122.032 118.700 0.170 0.000 2.250 356 N HA 0.071 4.811 4.740 0.000 0.000 0.181 356 N C 0.012 175.568 175.510 0.076 0.000 1.017 356 N CA 0.403 53.522 53.050 0.114 0.000 0.866 356 N CB 0.182 38.746 38.487 0.129 0.000 0.985 356 N HN 0.521 nan 8.380 nan 0.000 0.429 357 L N -0.054 121.222 121.223 0.088 0.000 2.409 357 L HA 0.473 4.813 4.340 0.000 0.000 0.272 357 L C -1.394 175.512 176.870 0.061 0.000 0.980 357 L CA -0.294 54.577 54.840 0.051 0.000 0.826 357 L CB 2.306 44.381 42.059 0.026 0.000 1.268 357 L HN -0.260 nan 8.230 nan 0.000 0.407 358 T N 6.426 121.003 114.554 0.039 0.000 2.791 358 T HA 0.576 4.926 4.350 0.000 0.000 0.288 358 T C -0.718 173.998 174.700 0.026 0.000 0.999 358 T CA -0.128 62.000 62.100 0.047 0.000 0.952 358 T CB 0.721 69.621 68.868 0.052 0.000 0.938 358 T HN 0.692 nan 8.240 nan 0.000 0.444 359 M N 6.292 125.909 119.600 0.028 0.000 2.321 359 M HA 0.766 5.246 4.480 0.000 0.000 0.315 359 M C -1.602 174.719 176.300 0.036 0.000 1.052 359 M CA -0.789 54.514 55.300 0.006 0.000 0.936 359 M CB 1.068 33.642 32.600 -0.044 0.000 1.639 359 M HN 0.662 nan 8.290 nan 0.000 0.433 360 L N 1.443 122.686 121.223 0.034 0.000 2.720 360 L HA 0.961 5.301 4.340 0.000 0.000 0.261 360 L C -0.428 176.468 176.870 0.042 0.000 1.046 360 L CA -1.102 53.767 54.840 0.048 0.000 0.886 360 L CB 1.157 43.253 42.059 0.062 0.000 1.493 360 L HN 0.693 nan 8.230 nan 0.000 0.407 361 G N -0.287 108.543 108.800 0.049 0.000 2.588 361 G HA2 0.740 4.700 3.960 0.000 0.000 0.278 361 G HA3 0.740 4.700 3.960 0.000 0.000 0.278 361 G C -0.605 174.325 174.900 0.050 0.000 1.307 361 G CA 0.060 45.186 45.100 0.043 0.000 1.016 361 G HN 1.382 nan 8.290 nan 0.000 0.503 362 A N -1.526 121.319 122.820 0.042 0.000 2.567 362 A HA 0.555 4.875 4.320 0.000 0.000 0.291 362 A C 0.118 177.720 177.584 0.030 0.000 1.048 362 A CA -0.381 51.684 52.037 0.046 0.000 0.661 362 A CB 0.553 19.576 19.000 0.038 0.000 1.288 362 A HN 0.538 nan 8.150 nan 0.000 0.424 363 M N -0.423 119.195 119.600 0.030 0.000 2.491 363 M HA 0.243 4.723 4.480 0.000 0.000 0.259 363 M C 0.181 176.484 176.300 0.006 0.000 1.163 363 M CA 0.893 56.202 55.300 0.015 0.000 1.109 363 M CB 0.587 33.193 32.600 0.010 0.000 1.353 363 M HN 0.678 nan 8.290 nan 0.000 0.500 364 Q N -0.047 119.759 119.800 0.010 0.000 2.472 364 Q HA 0.614 4.954 4.340 0.000 0.000 0.281 364 Q C -1.591 174.409 176.000 0.000 0.000 0.997 364 Q CA -0.648 55.155 55.803 -0.000 0.000 0.828 364 Q CB 3.783 32.525 28.738 0.007 0.000 1.443 364 Q HN -0.066 nan 8.270 nan 0.000 0.390 365 V N 1.122 121.021 119.914 -0.026 0.000 2.733 365 V HA 0.480 4.600 4.120 0.000 0.000 0.306 365 V C -0.362 175.698 176.094 -0.056 0.000 1.084 365 V CA -0.697 61.584 62.300 -0.031 0.000 0.905 365 V CB 1.982 33.773 31.823 -0.053 0.000 1.010 365 V HN 0.914 nan 8.190 nan 0.000 0.424 366 S N 3.309 118.992 115.700 -0.030 0.000 2.693 366 S HA 0.383 4.853 4.470 0.000 0.000 0.276 366 S C 1.120 175.654 174.600 -0.110 0.000 1.192 366 S CA -0.083 58.095 58.200 -0.037 0.000 0.994 366 S CB 1.362 64.587 63.200 0.043 0.000 1.012 366 S HN 0.793 nan 8.310 nan 0.000 0.550 367 K N -0.097 120.198 120.400 -0.174 0.000 2.113 367 K HA -0.181 4.139 4.320 0.000 0.000 0.208 367 K C 0.671 176.950 176.600 -0.535 0.000 1.047 367 K CA 1.791 57.833 56.287 -0.409 0.000 0.928 367 K CB -0.390 31.795 32.500 -0.526 0.000 0.716 367 K HN 0.798 nan 8.250 nan 0.000 0.446 368 Y N -0.933 119.347 120.300 -0.034 0.000 2.468 368 Y HA 0.248 4.798 4.550 0.000 0.000 0.268 368 Y C 1.224 177.119 175.900 -0.008 0.000 1.177 368 Y CA 0.270 58.361 58.100 -0.016 0.000 1.265 368 Y CB 1.137 39.596 38.460 -0.003 0.000 1.103 368 Y HN 0.335 nan 8.280 nan 0.000 0.522 369 G N -0.614 108.224 108.800 0.063 0.000 2.179 369 G HA2 -0.232 3.728 3.960 0.000 0.000 0.220 369 G HA3 -0.232 3.728 3.960 0.000 0.000 0.220 369 G C -0.387 174.551 174.900 0.064 0.000 0.990 369 G CA -0.348 44.785 45.100 0.054 0.000 0.646 369 G HN 0.216 nan 8.290 nan 0.000 0.517 370 D N 0.222 120.668 120.400 0.077 0.000 2.424 370 D HA 0.467 5.107 4.640 0.000 0.000 0.244 370 D C 0.353 176.688 176.300 0.058 0.000 1.134 370 D CA 0.232 54.276 54.000 0.073 0.000 0.881 370 D CB 1.751 42.596 40.800 0.075 0.000 1.191 370 D HN 0.383 nan 8.370 nan 0.000 0.445 371 L N 1.116 122.383 121.223 0.073 0.000 2.346 371 L HA 0.672 5.012 4.340 0.000 0.000 0.274 371 L C -1.244 175.693 176.870 0.113 0.000 1.007 371 L CA -0.752 54.134 54.840 0.078 0.000 0.818 371 L CB 1.883 43.990 42.059 0.080 0.000 1.284 371 L HN 0.361 nan 8.230 nan 0.000 0.424 372 A N 3.638 126.521 122.820 0.106 0.000 2.466 372 A HA 0.616 4.936 4.320 0.000 0.000 0.291 372 A C -0.604 177.056 177.584 0.126 0.000 1.234 372 A CA -0.322 51.794 52.037 0.132 0.000 0.752 372 A CB 0.052 19.091 19.000 0.066 0.000 1.153 372 A HN 0.789 nan 8.150 nan 0.000 0.458 373 N N 1.094 119.925 118.700 0.217 0.000 2.390 373 N HA 0.011 4.751 4.740 0.000 0.000 0.259 373 N C 0.195 175.865 175.510 0.268 0.000 1.395 373 N CA -0.041 53.117 53.050 0.180 0.000 0.852 373 N CB -0.050 38.527 38.487 0.150 0.000 1.371 373 N HN 0.803 nan 8.380 nan 0.000 0.491 374 W N -0.224 121.116 121.300 0.066 0.000 2.592 374 W HA 0.549 5.209 4.660 0.000 0.000 0.306 374 W C -0.704 175.872 176.519 0.096 0.000 0.991 374 W CA -0.372 57.026 57.345 0.088 0.000 1.430 374 W CB 0.238 29.754 29.460 0.094 0.000 1.017 374 W HN -0.036 nan 8.180 nan 0.000 0.557 375 M N 1.657 120.880 119.600 -0.628 0.000 2.413 375 M HA 0.532 5.012 4.480 0.000 0.000 0.287 375 M C -2.364 173.708 176.300 -0.380 0.000 1.186 375 M CA -0.496 54.414 55.300 -0.650 0.000 0.927 375 M CB 2.616 34.391 32.600 -1.376 0.000 1.715 375 M HN -0.087 nan 8.290 nan 0.000 0.478 376 I N 4.944 125.378 120.570 -0.228 0.000 2.517 376 I HA 0.374 4.544 4.170 0.000 0.000 0.280 376 I C -2.376 173.667 176.117 -0.124 0.000 1.061 376 I CA -1.759 59.454 61.300 -0.145 0.000 1.091 376 I CB 1.920 39.869 38.000 -0.085 0.000 1.205 376 I HN 0.438 nan 8.210 nan 0.000 0.459 377 P HA -0.049 nan 4.420 nan 0.000 0.263 377 P C 1.060 178.309 177.300 -0.086 0.000 1.168 377 P CA 1.129 64.179 63.100 -0.084 0.000 0.759 377 P CB 0.539 32.201 31.700 -0.063 0.000 0.782 378 G N 2.464 111.197 108.800 -0.113 0.000 2.196 378 G HA2 -0.351 3.609 3.960 0.000 0.000 0.268 378 G HA3 -0.351 3.609 3.960 0.000 0.000 0.268 378 G C 0.800 175.626 174.900 -0.123 0.000 0.975 378 G CA 1.102 46.114 45.100 -0.146 0.000 0.648 378 G HN 0.585 nan 8.290 nan 0.000 0.538 379 K N -2.100 118.241 120.400 -0.098 0.000 2.703 379 K HA 0.394 4.714 4.320 0.000 0.000 0.196 379 K C -0.047 176.526 176.600 -0.046 0.000 1.457 379 K CA 0.037 56.282 56.287 -0.069 0.000 1.115 379 K CB 0.676 33.144 32.500 -0.054 0.000 1.661 379 K HN 0.257 nan 8.250 nan 0.000 0.552 380 L N 2.028 123.224 121.223 -0.046 0.000 2.377 380 L HA 0.339 4.679 4.340 0.000 0.000 0.270 380 L C -1.045 175.824 176.870 -0.003 0.000 0.991 380 L CA -0.562 54.273 54.840 -0.009 0.000 0.851 380 L CB 1.881 43.936 42.059 -0.006 0.000 1.218 380 L HN 0.002 nan 8.230 nan 0.000 0.420 381 V N 1.823 121.778 119.914 0.068 0.000 2.637 381 V HA 0.526 4.646 4.120 0.000 0.000 0.296 381 V C 0.078 176.338 176.094 0.276 0.000 1.118 381 V CA -0.364 62.037 62.300 0.168 0.000 1.230 381 V CB 0.402 32.332 31.823 0.178 0.000 1.360 381 V HN 0.605 nan 8.190 nan 0.000 0.620 382 K N 1.782 122.302 120.400 0.200 0.000 2.373 382 K HA 0.589 4.909 4.320 0.000 0.000 0.202 382 K C 0.923 177.587 176.600 0.108 0.000 1.025 382 K CA 0.530 56.842 56.287 0.042 0.000 1.115 382 K CB 0.951 33.375 32.500 -0.126 0.000 0.858 382 K HN 1.272 nan 8.250 nan 0.000 0.525 383 G N 2.200 111.222 108.800 0.371 0.000 2.663 383 G HA2 -0.202 3.758 3.960 0.000 0.000 0.686 383 G HA3 -0.202 3.758 3.960 0.000 0.000 0.686 383 G C 0.341 175.552 174.900 0.520 0.000 1.288 383 G CA -0.154 45.207 45.100 0.434 0.000 0.836 383 G HN 0.075 nan 8.290 nan 0.000 0.584 384 M N 0.760 120.514 119.600 0.256 0.000 2.495 384 M HA 0.378 4.858 4.480 0.000 0.000 0.237 384 M C 1.528 177.896 176.300 0.114 0.000 1.131 384 M CA 1.783 57.153 55.300 0.116 0.000 1.032 384 M CB -1.334 31.048 32.600 -0.362 0.000 1.513 384 M HN 2.748 nan 8.290 nan 0.000 0.488 385 G N 1.844 110.747 108.800 0.171 0.000 2.652 385 G HA2 -0.338 3.622 3.960 0.000 0.000 0.318 385 G HA3 -0.338 3.622 3.960 0.000 0.000 0.318 385 G C 0.657 175.639 174.900 0.136 0.000 1.295 385 G CA 0.548 45.741 45.100 0.155 0.000 0.999 385 G HN 0.840 nan 8.290 nan 0.000 0.548 386 G N -0.081 108.849 108.800 0.215 0.000 3.233 386 G HA2 0.566 4.526 3.960 0.000 0.000 0.234 386 G HA3 0.566 4.526 3.960 0.000 0.000 0.234 386 G C 1.612 176.645 174.900 0.222 0.000 1.137 386 G CA 1.646 46.921 45.100 0.293 0.000 0.763 386 G HN 1.617 nan 8.290 nan 0.000 0.549 387 A N 1.040 123.937 122.820 0.129 0.000 1.940 387 A HA -0.091 4.229 4.320 0.000 0.000 0.219 387 A C 2.327 179.955 177.584 0.073 0.000 1.176 387 A CA 1.590 53.689 52.037 0.103 0.000 0.631 387 A CB -0.311 18.749 19.000 0.100 0.000 0.814 387 A HN 0.419 nan 8.150 nan 0.000 0.446 388 M N -0.812 118.793 119.600 0.008 0.000 2.175 388 M HA -0.116 4.364 4.480 0.000 0.000 0.264 388 M C 1.466 177.805 176.300 0.066 0.000 1.063 388 M CA 1.433 56.729 55.300 -0.007 0.000 1.119 388 M CB -0.555 31.980 32.600 -0.108 0.000 1.377 388 M HN 0.383 nan 8.290 nan 0.000 0.415 389 D N 0.785 121.252 120.400 0.111 0.000 2.117 389 D HA -0.095 4.545 4.640 0.000 0.000 0.198 389 D C 2.094 178.518 176.300 0.206 0.000 0.982 389 D CA 1.261 55.380 54.000 0.198 0.000 0.828 389 D CB -0.159 40.849 40.800 0.346 0.000 0.967 389 D HN 0.351 nan 8.370 nan 0.000 0.464 390 L N 0.900 122.244 121.223 0.202 0.000 2.187 390 L HA -0.133 4.207 4.340 0.000 0.000 0.213 390 L C 2.100 179.031 176.870 0.102 0.000 1.100 390 L CA 0.760 55.685 54.840 0.142 0.000 0.765 390 L CB -0.128 42.006 42.059 0.126 0.000 0.904 390 L HN 0.021 nan 8.230 nan 0.000 0.437 391 V N -4.809 115.162 119.914 0.095 0.000 3.121 391 V HA 0.188 4.308 4.120 0.000 0.000 0.344 391 V C 1.598 177.737 176.094 0.074 0.000 1.390 391 V CA 0.428 62.773 62.300 0.076 0.000 1.177 391 V CB 0.125 31.991 31.823 0.072 0.000 1.163 391 V HN 0.339 nan 8.190 nan 0.000 0.484 392 S N -0.919 114.832 115.700 0.085 0.000 2.524 392 S HA 0.187 4.657 4.470 0.000 0.000 0.216 392 S C 1.042 175.677 174.600 0.058 0.000 0.987 392 S CA 0.560 58.808 58.200 0.080 0.000 0.909 392 S CB 0.029 63.296 63.200 0.112 0.000 0.781 392 S HN 0.616 nan 8.310 nan 0.000 0.521 393 S N 0.572 116.307 115.700 0.059 0.000 2.457 393 S HA 0.706 5.176 4.470 0.000 0.000 0.289 393 S C 1.075 175.687 174.600 0.020 0.000 1.163 393 S CA -0.211 58.013 58.200 0.041 0.000 1.078 393 S CB 1.131 64.354 63.200 0.037 0.000 0.987 393 S HN 0.476 nan 8.310 nan 0.000 0.482 394 A N 5.305 128.128 122.820 0.006 0.000 1.969 394 A HA -0.008 4.312 4.320 0.000 0.000 0.218 394 A C 2.044 179.629 177.584 0.001 0.000 1.169 394 A CA 1.262 53.298 52.037 -0.001 0.000 0.635 394 A CB -0.431 18.562 19.000 -0.013 0.000 0.810 394 A HN 0.867 nan 8.150 nan 0.000 0.445 395 K N -0.575 119.822 120.400 -0.006 0.000 2.209 395 K HA -0.057 4.263 4.320 0.000 0.000 0.204 395 K C -0.099 176.497 176.600 -0.006 0.000 1.048 395 K CA 1.147 57.424 56.287 -0.017 0.000 0.940 395 K CB -0.128 32.343 32.500 -0.050 0.000 0.729 395 K HN 0.443 nan 8.250 nan 0.000 0.451 396 T N 1.147 115.704 114.554 0.004 0.000 2.845 396 T HA 0.124 4.474 4.350 0.000 0.000 0.288 396 T C -0.419 174.294 174.700 0.021 0.000 0.980 396 T CA -0.460 61.651 62.100 0.017 0.000 1.071 396 T CB 1.614 70.498 68.868 0.027 0.000 0.941 396 T HN 0.008 nan 8.240 nan 0.000 0.487 397 K N 2.663 123.076 120.400 0.021 0.000 2.312 397 K HA 0.371 4.691 4.320 0.000 0.000 0.287 397 K C -1.012 175.596 176.600 0.013 0.000 1.062 397 K CA -0.417 55.878 56.287 0.013 0.000 0.934 397 K CB 0.349 32.852 32.500 0.004 0.000 1.027 397 K HN 0.313 nan 8.250 nan 0.000 0.478 398 V N 5.740 125.663 119.914 0.015 0.000 2.328 398 V HA 0.229 4.349 4.120 0.000 0.000 0.278 398 V C -0.557 175.541 176.094 0.007 0.000 1.021 398 V CA -0.873 61.438 62.300 0.018 0.000 0.838 398 V CB 1.385 33.227 31.823 0.032 0.000 0.999 398 V HN 0.497 nan 8.190 nan 0.000 0.447 399 V N 6.114 126.023 119.914 -0.008 0.000 2.384 399 V HA 0.413 4.533 4.120 0.000 0.000 0.287 399 V C 0.038 176.126 176.094 -0.010 0.000 1.020 399 V CA -0.599 61.688 62.300 -0.021 0.000 0.850 399 V CB 1.941 33.726 31.823 -0.063 0.000 0.987 399 V HN 0.581 nan 8.190 nan 0.000 0.436 400 V N 4.616 124.531 119.914 0.001 0.000 2.465 400 V HA 0.510 4.630 4.120 0.000 0.000 0.279 400 V C 0.504 176.596 176.094 -0.003 0.000 1.045 400 V CA -0.211 62.093 62.300 0.007 0.000 0.938 400 V CB 1.948 33.777 31.823 0.012 0.000 0.986 400 V HN 1.026 nan 8.190 nan 0.000 0.467 401 T N 4.237 118.790 114.554 -0.001 0.000 2.833 401 T HA 0.813 5.163 4.350 0.000 0.000 0.297 401 T C -0.759 173.939 174.700 -0.004 0.000 1.015 401 T CA -0.689 61.405 62.100 -0.010 0.000 0.963 401 T CB 1.035 69.897 68.868 -0.011 0.000 0.955 401 T HN 0.764 nan 8.240 nan 0.000 0.449 402 M N 0.512 120.104 119.600 -0.013 0.000 2.682 402 M HA 0.650 5.130 4.480 0.000 0.000 0.272 402 M C -1.161 175.127 176.300 -0.020 0.000 1.232 402 M CA -1.011 54.282 55.300 -0.013 0.000 0.849 402 M CB 1.656 34.248 32.600 -0.013 0.000 1.695 402 M HN 0.350 nan 8.290 nan 0.000 0.481 403 E N 0.666 120.859 120.200 -0.011 0.000 2.415 403 E HA 0.002 4.352 4.350 0.000 0.000 0.262 403 E C 0.146 176.755 176.600 0.014 0.000 1.038 403 E CA 0.363 56.764 56.400 0.002 0.000 0.921 403 E CB 0.757 30.461 29.700 0.007 0.000 0.950 403 E HN 0.751 nan 8.360 nan 0.000 0.438 404 H N 1.021 120.083 119.070 -0.012 0.000 2.357 404 H HA -0.008 4.548 4.556 0.000 0.000 0.301 404 H C -0.176 175.179 175.328 0.046 0.000 1.082 404 H CA 1.379 57.440 56.048 0.020 0.000 1.342 404 H CB 0.488 30.256 29.762 0.011 0.000 1.389 404 H HN 0.191 nan 8.280 nan 0.000 0.511 405 S N -0.966 114.842 115.700 0.180 0.000 2.570 405 S HA 0.683 5.153 4.470 0.000 0.000 0.286 405 S C -0.633 174.007 174.600 0.067 0.000 1.099 405 S CA -0.541 57.745 58.200 0.144 0.000 0.913 405 S CB 2.094 65.414 63.200 0.201 0.000 1.085 405 S HN 0.567 nan 8.310 nan 0.000 0.480 406 A N 1.547 124.393 122.820 0.043 0.000 2.251 406 A HA 0.548 4.868 4.320 0.000 0.000 0.278 406 A C 0.282 177.873 177.584 0.011 0.000 1.206 406 A CA -0.376 51.672 52.037 0.019 0.000 0.822 406 A CB -0.028 18.978 19.000 0.010 0.000 1.187 406 A HN 0.768 nan 8.150 nan 0.000 0.504 407 K N -0.785 119.616 120.400 0.002 0.000 2.561 407 K HA 0.249 4.569 4.320 0.000 0.000 0.280 407 K C 1.109 177.703 176.600 -0.010 0.000 0.975 407 K CA 1.357 57.642 56.287 -0.002 0.000 1.024 407 K CB -0.211 32.286 32.500 -0.005 0.000 0.883 407 K HN 1.613 nan 8.250 nan 0.000 0.496 408 G N 3.260 112.055 108.800 -0.009 0.000 2.203 408 G HA2 -0.367 3.593 3.960 0.000 0.000 0.263 408 G HA3 -0.367 3.593 3.960 0.000 0.000 0.263 408 G C 0.293 175.177 174.900 -0.027 0.000 1.012 408 G CA 0.788 45.878 45.100 -0.017 0.000 0.749 408 G HN 1.021 nan 8.290 nan 0.000 0.512 409 N N -2.489 116.202 118.700 -0.015 0.000 2.741 409 N HA -0.107 4.633 4.740 0.000 0.000 0.251 409 N C 0.705 176.165 175.510 -0.083 0.000 1.112 409 N CA 2.043 55.084 53.050 -0.016 0.000 0.750 409 N CB -1.275 37.205 38.487 -0.012 0.000 1.119 409 N HN 1.964 nan 8.380 nan 0.000 0.561 410 A N 0.447 123.217 122.820 -0.083 0.000 2.440 410 A HA 0.334 4.654 4.320 0.000 0.000 0.251 410 A C 0.148 177.692 177.584 -0.066 0.000 1.089 410 A CA -0.165 51.786 52.037 -0.144 0.000 0.779 410 A CB 0.159 19.116 19.000 -0.071 0.000 1.022 410 A HN 0.417 nan 8.150 nan 0.000 0.492 411 H N 1.477 120.568 119.070 0.036 0.000 2.897 411 H HA 0.088 4.644 4.556 0.000 0.000 0.347 411 H C 0.538 175.865 175.328 -0.001 0.000 1.068 411 H CA 0.579 56.645 56.048 0.031 0.000 1.426 411 H CB 0.757 30.537 29.762 0.029 0.000 1.410 411 H HN 0.748 nan 8.280 nan 0.000 0.597 412 K N 1.677 122.140 120.400 0.105 0.000 2.474 412 K HA 0.289 4.609 4.320 0.000 0.000 0.204 412 K C 0.261 176.836 176.600 -0.041 0.000 1.220 412 K CA 0.242 56.537 56.287 0.013 0.000 0.966 412 K CB 1.038 33.525 32.500 -0.022 0.000 1.049 412 K HN 0.367 nan 8.250 nan 0.000 0.554 413 I N 3.411 123.927 120.570 -0.090 0.000 2.339 413 I HA 0.341 4.511 4.170 0.000 0.000 0.290 413 I C -0.204 175.824 176.117 -0.149 0.000 0.994 413 I CA -0.536 60.663 61.300 -0.168 0.000 1.191 413 I CB 1.198 39.021 38.000 -0.296 0.000 1.343 413 I HN 0.042 nan 8.210 nan 0.000 0.458 414 M N 2.760 122.284 119.600 -0.127 0.000 3.008 414 M HA 0.467 4.947 4.480 0.000 0.000 0.271 414 M C -0.150 176.101 176.300 -0.082 0.000 1.265 414 M CA -0.828 54.410 55.300 -0.104 0.000 0.817 414 M CB 1.520 34.104 32.600 -0.026 0.000 1.638 414 M HN 0.156 nan 8.290 nan 0.000 0.479 415 E N 1.439 121.609 120.200 -0.050 0.000 2.035 415 E HA -0.048 4.302 4.350 0.000 0.000 0.204 415 E C -0.151 176.466 176.600 0.028 0.000 1.025 415 E CA 1.708 58.100 56.400 -0.012 0.000 0.835 415 E CB -0.004 29.706 29.700 0.017 0.000 0.764 415 E HN 0.381 nan 8.360 nan 0.000 0.457 416 K N -0.079 120.339 120.400 0.030 0.000 2.371 416 K HA 0.325 4.645 4.320 0.000 0.000 0.251 416 K C -0.346 176.270 176.600 0.026 0.000 0.934 416 K CA -0.648 55.663 56.287 0.040 0.000 0.798 416 K CB 1.870 34.395 32.500 0.042 0.000 1.204 416 K HN 0.043 nan 8.250 nan 0.000 0.427 417 C N 1.262 120.578 119.300 0.027 0.000 2.656 417 C HA 0.200 4.660 4.460 0.000 0.000 0.391 417 C C 2.111 177.113 174.990 0.019 0.000 1.300 417 C CA -0.257 58.774 59.018 0.021 0.000 2.302 417 C CB 0.123 27.880 27.740 0.027 0.000 2.655 417 C HN 0.908 nan 8.230 nan 0.000 0.656 418 T N -0.711 113.850 114.554 0.011 0.000 3.042 418 T HA 0.169 4.520 4.350 0.000 0.000 0.245 418 T C 0.553 175.247 174.700 -0.010 0.000 1.029 418 T CA 0.089 62.192 62.100 0.004 0.000 1.120 418 T CB -0.199 68.670 68.868 0.003 0.000 0.917 418 T HN 0.490 nan 8.240 nan 0.000 0.467 419 L N 2.277 123.488 121.223 -0.019 0.000 2.464 419 L HA 0.317 4.657 4.340 0.000 0.000 0.264 419 L C -2.301 174.542 176.870 -0.046 0.000 1.199 419 L CA -2.216 52.592 54.840 -0.053 0.000 0.818 419 L CB -0.137 41.885 42.059 -0.062 0.000 1.102 419 L HN -0.013 nan 8.230 nan 0.000 0.473 420 P HA 0.039 nan 4.420 nan 0.000 0.264 420 P C -0.610 176.774 177.300 0.139 0.000 1.193 420 P CA 0.092 63.168 63.100 -0.039 0.000 0.763 420 P CB 0.299 31.832 31.700 -0.278 0.000 0.810 421 L N 2.706 124.071 121.223 0.238 0.000 2.439 421 L HA 0.088 4.428 4.340 0.000 0.000 0.269 421 L C 1.544 178.669 176.870 0.425 0.000 1.179 421 L CA 0.320 55.318 54.840 0.263 0.000 0.828 421 L CB 0.091 42.233 42.059 0.139 0.000 1.106 421 L HN 0.416 nan 8.230 nan 0.000 0.467 422 T N 0.355 115.093 114.554 0.307 0.000 3.040 422 T HA 0.225 4.575 4.350 0.000 0.000 0.252 422 T C 0.480 175.221 174.700 0.069 0.000 1.064 422 T CA 0.529 62.731 62.100 0.169 0.000 1.110 422 T CB 0.548 69.540 68.868 0.206 0.000 0.921 422 T HN 0.839 nan 8.240 nan 0.000 0.480 423 G N 0.421 109.277 108.800 0.093 0.000 2.579 423 G HA2 0.560 4.520 3.960 0.000 0.000 0.292 423 G HA3 0.560 4.520 3.960 0.000 0.000 0.292 423 G C -2.003 172.944 174.900 0.078 0.000 1.484 423 G CA -0.820 44.324 45.100 0.075 0.000 0.813 423 G HN 0.015 nan 8.290 nan 0.000 0.515 424 K N 0.757 121.209 120.400 0.086 0.000 2.164 424 K HA 0.384 4.704 4.320 0.000 0.000 0.258 424 K C -0.002 176.659 176.600 0.103 0.000 0.951 424 K CA -0.631 55.710 56.287 0.090 0.000 0.844 424 K CB 1.601 34.157 32.500 0.094 0.000 1.099 424 K HN 0.659 nan 8.250 nan 0.000 0.435 425 Q N 0.381 120.240 119.800 0.099 0.000 2.402 425 Q HA -0.249 4.091 4.340 0.000 0.000 0.356 425 Q C 0.396 176.440 176.000 0.074 0.000 1.344 425 Q CA 0.535 56.396 55.803 0.096 0.000 1.062 425 Q CB -1.839 26.951 28.738 0.088 0.000 1.268 425 Q HN 0.832 nan 8.270 nan 0.000 0.383 426 C N -4.585 114.756 119.300 0.068 0.000 3.559 426 C HA 0.446 4.906 4.460 0.000 0.000 0.314 426 C C 0.901 175.920 174.990 0.048 0.000 1.419 426 C CA -0.508 58.544 59.018 0.057 0.000 1.775 426 C CB -0.173 27.605 27.740 0.064 0.000 2.430 426 C HN 0.318 nan 8.230 nan 0.000 0.686 427 V N 3.387 123.329 119.914 0.046 0.000 2.546 427 V HA 0.253 4.373 4.120 0.000 0.000 0.284 427 V C 0.337 176.449 176.094 0.031 0.000 1.050 427 V CA 0.578 62.899 62.300 0.035 0.000 0.981 427 V CB 1.077 32.917 31.823 0.027 0.000 0.990 427 V HN 0.480 nan 8.190 nan 0.000 0.474 428 N N 2.564 121.279 118.700 0.026 0.000 2.227 428 N HA 0.255 4.995 4.740 0.000 0.000 0.196 428 N C 0.265 175.791 175.510 0.027 0.000 1.142 428 N CA -0.177 52.888 53.050 0.025 0.000 0.887 428 N CB 0.635 39.133 38.487 0.019 0.000 1.022 428 N HN 0.641 nan 8.380 nan 0.000 0.500 429 R N 0.771 121.286 120.500 0.025 0.000 2.736 429 R HA 0.320 4.660 4.340 0.000 0.000 0.250 429 R C -2.193 174.128 176.300 0.036 0.000 1.098 429 R CA -0.426 55.696 56.100 0.036 0.000 0.978 429 R CB 0.830 31.140 30.300 0.015 0.000 1.263 429 R HN -0.072 nan 8.270 nan 0.000 0.460 430 I N 5.443 126.060 120.570 0.077 0.000 2.378 430 I HA 0.432 4.602 4.170 0.000 0.000 0.291 430 I C -0.200 175.957 176.117 0.068 0.000 0.992 430 I CA -0.836 60.511 61.300 0.078 0.000 1.154 430 I CB 1.940 40.019 38.000 0.131 0.000 1.315 430 I HN 0.425 nan 8.210 nan 0.000 0.448 431 I N 5.657 126.236 120.570 0.015 0.000 2.382 431 I HA 0.307 4.477 4.170 0.000 0.000 0.285 431 I C 0.378 176.483 176.117 -0.021 0.000 1.007 431 I CA -0.225 61.063 61.300 -0.020 0.000 1.142 431 I CB 1.762 39.736 38.000 -0.044 0.000 1.289 431 I HN 0.657 nan 8.210 nan 0.000 0.453 432 T N 1.448 115.994 114.554 -0.014 0.000 2.844 432 T HA 0.276 4.626 4.350 0.000 0.000 0.274 432 T C 0.927 175.592 174.700 -0.059 0.000 0.991 432 T CA -0.511 61.589 62.100 -0.000 0.000 0.983 432 T CB 1.633 70.559 68.868 0.097 0.000 1.310 432 T HN 0.609 nan 8.240 nan 0.000 0.596 433 E N 0.154 120.303 120.200 -0.085 0.000 2.481 433 E HA 0.051 4.401 4.350 0.000 0.000 0.195 433 E C 1.056 177.453 176.600 -0.338 0.000 1.047 433 E CA 0.567 56.803 56.400 -0.273 0.000 0.867 433 E CB -0.041 29.486 29.700 -0.288 0.000 0.858 433 E HN 0.771 nan 8.360 nan 0.000 0.513 434 K N -0.083 120.246 120.400 -0.119 0.000 2.399 434 K HA 0.399 4.719 4.320 0.000 0.000 0.196 434 K C 0.567 177.132 176.600 -0.058 0.000 1.117 434 K CA 0.606 56.838 56.287 -0.091 0.000 0.965 434 K CB 1.282 33.649 32.500 -0.221 0.000 0.983 434 K HN 0.121 nan 8.250 nan 0.000 0.531 435 A N 0.760 123.520 122.820 -0.100 0.000 2.594 435 A HA 0.635 4.955 4.320 0.000 0.000 0.291 435 A C -1.515 175.861 177.584 -0.345 0.000 1.105 435 A CA -0.577 51.258 52.037 -0.337 0.000 0.694 435 A CB 1.863 20.402 19.000 -0.769 0.000 1.291 435 A HN -0.100 nan 8.150 nan 0.000 0.410 436 V N 1.006 120.669 119.914 -0.419 0.000 2.483 436 V HA 0.568 4.688 4.120 0.000 0.000 0.297 436 V C -1.484 174.421 176.094 -0.315 0.000 1.027 436 V CA -0.191 61.965 62.300 -0.241 0.000 0.855 436 V CB 1.035 32.788 31.823 -0.117 0.000 0.995 436 V HN 0.661 nan 8.190 nan 0.000 0.424 437 F N 2.157 122.075 119.950 -0.053 0.000 2.458 437 F HA 0.536 5.063 4.527 0.000 0.000 0.336 437 F C 0.435 176.213 175.800 -0.036 0.000 1.114 437 F CA -0.775 57.191 58.000 -0.057 0.000 0.987 437 F CB 1.456 40.404 39.000 -0.086 0.000 1.130 437 F HN 0.383 nan 8.300 nan 0.000 0.458 438 D N 1.947 122.455 120.400 0.179 0.000 2.264 438 D HA 0.463 5.103 4.640 0.000 0.000 0.249 438 D C -0.657 175.698 176.300 0.092 0.000 1.070 438 D CA 0.056 54.116 54.000 0.100 0.000 0.912 438 D CB 2.006 42.849 40.800 0.071 0.000 1.193 438 D HN 0.107 nan 8.370 nan 0.000 0.427 439 V N 1.828 121.775 119.914 0.054 0.000 2.495 439 V HA 0.330 4.450 4.120 0.000 0.000 0.298 439 V C -0.308 175.809 176.094 0.038 0.000 1.031 439 V CA -0.820 61.494 62.300 0.024 0.000 0.871 439 V CB 1.997 33.825 31.823 0.010 0.000 0.988 439 V HN 0.461 nan 8.190 nan 0.000 0.432 440 D N 2.317 122.743 120.400 0.045 0.000 2.498 440 D HA 0.417 5.057 4.640 0.000 0.000 0.247 440 D C 1.040 177.418 176.300 0.130 0.000 1.070 440 D CA -0.669 53.374 54.000 0.071 0.000 0.842 440 D CB 1.748 42.589 40.800 0.069 0.000 1.361 440 D HN 0.362 nan 8.370 nan 0.000 0.484 441 R N 2.208 122.781 120.500 0.122 0.000 2.170 441 R HA -0.163 4.177 4.340 0.000 0.000 0.242 441 R C 1.167 177.598 176.300 0.219 0.000 1.145 441 R CA 1.265 57.457 56.100 0.155 0.000 0.984 441 R CB 0.110 30.449 30.300 0.065 0.000 0.869 441 R HN 0.301 nan 8.270 nan 0.000 0.455 442 K N 0.910 121.422 120.400 0.186 0.000 2.312 442 K HA -0.004 4.316 4.320 0.000 0.000 0.206 442 K C 1.630 178.410 176.600 0.299 0.000 1.121 442 K CA 0.804 57.197 56.287 0.176 0.000 0.923 442 K CB 0.225 32.766 32.500 0.068 0.000 1.162 442 K HN -0.002 nan 8.250 nan 0.000 0.478 443 K N -0.244 120.265 120.400 0.182 0.000 2.486 443 K HA 0.175 4.495 4.320 0.000 0.000 0.194 443 K C 0.766 177.409 176.600 0.072 0.000 1.033 443 K CA 0.746 57.112 56.287 0.133 0.000 1.004 443 K CB 0.031 32.577 32.500 0.076 0.000 0.798 443 K HN 0.257 nan 8.250 nan 0.000 0.495 444 G N 1.055 109.873 108.800 0.030 0.000 2.488 444 G HA2 -0.230 3.730 3.960 0.000 0.000 0.237 444 G HA3 -0.230 3.730 3.960 0.000 0.000 0.237 444 G C -1.125 173.694 174.900 -0.136 0.000 1.209 444 G CA -0.268 44.673 45.100 -0.264 0.000 0.929 444 G HN 0.100 nan 8.290 nan 0.000 0.578 445 L N 1.340 122.468 121.223 -0.159 0.000 2.334 445 L HA 0.714 5.054 4.340 0.000 0.000 0.277 445 L C 0.750 177.696 176.870 0.127 0.000 1.075 445 L CA 0.054 54.857 54.840 -0.062 0.000 0.804 445 L CB 1.453 43.352 42.059 -0.268 0.000 1.174 445 L HN 0.717 nan 8.230 nan 0.000 0.438 446 T N 3.800 118.487 114.554 0.222 0.000 2.949 446 T HA 0.319 4.669 4.350 0.000 0.000 0.300 446 T C -0.714 174.177 174.700 0.317 0.000 0.988 446 T CA -0.451 61.800 62.100 0.250 0.000 0.993 446 T CB 1.097 70.049 68.868 0.141 0.000 0.984 446 T HN 0.324 nan 8.240 nan 0.000 0.442 447 L N 6.237 127.671 121.223 0.352 0.000 2.456 447 L HA 0.390 4.730 4.340 0.000 0.000 0.277 447 L C 0.922 177.799 176.870 0.012 0.000 1.124 447 L CA 0.169 55.043 54.840 0.056 0.000 0.880 447 L CB -0.385 41.672 42.059 -0.004 0.000 1.192 447 L HN 0.775 nan 8.230 nan 0.000 0.463 448 I N 0.299 120.841 120.570 -0.047 0.000 4.070 448 I HA 0.400 4.570 4.170 0.000 0.000 0.328 448 I C -0.092 175.992 176.117 -0.055 0.000 1.298 448 I CA -0.075 61.212 61.300 -0.022 0.000 1.173 448 I CB 0.132 38.132 38.000 0.000 0.000 1.051 448 I HN 0.517 nan 8.210 nan 0.000 0.409 449 E N 1.867 121.999 120.200 -0.114 0.000 2.331 449 E HA 0.576 4.926 4.350 0.000 0.000 0.275 449 E C -1.832 174.689 176.600 -0.132 0.000 0.895 449 E CA -0.837 55.507 56.400 -0.093 0.000 0.753 449 E CB 3.351 33.013 29.700 -0.064 0.000 1.216 449 E HN 0.064 nan 8.360 nan 0.000 0.434 450 L N 2.424 123.602 121.223 -0.074 0.000 2.381 450 L HA 0.410 4.750 4.340 0.000 0.000 0.274 450 L C -1.152 175.731 176.870 0.022 0.000 0.988 450 L CA -0.446 54.361 54.840 -0.055 0.000 0.824 450 L CB 1.353 43.377 42.059 -0.058 0.000 1.263 450 L HN 0.693 nan 8.230 nan 0.000 0.410 451 W N 6.020 127.246 121.300 -0.123 0.000 2.251 451 W HA 0.177 4.837 4.660 0.000 0.000 0.327 451 W C 0.065 176.541 176.519 -0.073 0.000 1.361 451 W CA -0.239 57.050 57.345 -0.092 0.000 1.234 451 W CB 0.751 30.157 29.460 -0.091 0.000 1.212 451 W HN 0.826 nan 8.180 nan 0.000 0.557 452 E N 3.761 123.482 120.200 -0.797 0.000 2.502 452 E HA 0.242 4.592 4.350 0.000 0.000 0.261 452 E C 0.980 177.345 176.600 -0.390 0.000 0.974 452 E CA 0.745 56.801 56.400 -0.574 0.000 0.936 452 E CB 0.396 29.710 29.700 -0.644 0.000 0.926 452 E HN 0.729 nan 8.360 nan 0.000 0.459 453 G N 2.921 111.610 108.800 -0.184 0.000 2.420 453 G HA2 -0.296 3.664 3.960 0.000 0.000 0.221 453 G HA3 -0.296 3.664 3.960 0.000 0.000 0.221 453 G C 0.239 175.129 174.900 -0.017 0.000 1.117 453 G CA 0.045 45.099 45.100 -0.077 0.000 0.657 453 G HN 0.472 nan 8.290 nan 0.000 0.512 454 L N 2.384 123.615 121.223 0.013 0.000 2.439 454 L HA 0.559 4.899 4.340 0.000 0.000 0.269 454 L C 1.230 178.104 176.870 0.007 0.000 1.179 454 L CA 0.322 55.183 54.840 0.036 0.000 0.828 454 L CB 1.085 43.190 42.059 0.076 0.000 1.106 454 L HN 0.529 nan 8.230 nan 0.000 0.467 455 T N -1.758 112.806 114.554 0.017 0.000 2.932 455 T HA 0.348 4.698 4.350 0.000 0.000 0.289 455 T C 1.117 175.849 174.700 0.053 0.000 1.039 455 T CA -0.916 61.199 62.100 0.024 0.000 1.024 455 T CB 1.833 70.717 68.868 0.027 0.000 1.090 455 T HN 0.188 nan 8.240 nan 0.000 0.496 456 V N 1.183 121.146 119.914 0.081 0.000 2.250 456 V HA -0.253 3.867 4.120 0.000 0.000 0.253 456 V C 2.571 178.786 176.094 0.202 0.000 1.065 456 V CA 2.731 65.134 62.300 0.171 0.000 1.039 456 V CB -1.057 30.875 31.823 0.181 0.000 0.647 456 V HN 1.154 nan 8.190 nan 0.000 0.446 457 D N -0.314 120.163 120.400 0.129 0.000 2.149 457 D HA -0.240 4.400 4.640 0.000 0.000 0.194 457 D C 1.787 178.153 176.300 0.111 0.000 1.001 457 D CA 1.752 55.819 54.000 0.112 0.000 0.849 457 D CB -0.193 40.646 40.800 0.065 0.000 0.939 457 D HN 0.493 nan 8.370 nan 0.000 0.449 458 D N -0.383 120.063 120.400 0.076 0.000 2.117 458 D HA -0.126 4.514 4.640 0.000 0.000 0.197 458 D C 2.063 178.384 176.300 0.035 0.000 0.987 458 D CA 0.588 54.614 54.000 0.045 0.000 0.829 458 D CB -0.065 40.745 40.800 0.016 0.000 0.961 458 D HN 0.322 nan 8.370 nan 0.000 0.460 459 I N 1.127 121.723 120.570 0.044 0.000 2.439 459 I HA -0.143 4.027 4.170 0.000 0.000 0.251 459 I C 2.136 178.376 176.117 0.205 0.000 1.139 459 I CA 0.871 62.170 61.300 -0.001 0.000 1.438 459 I CB -0.683 37.251 38.000 -0.110 0.000 1.085 459 I HN -0.031 nan 8.210 nan 0.000 0.427 460 K N 0.742 121.361 120.400 0.366 0.000 2.211 460 K HA -0.117 4.203 4.320 0.000 0.000 0.203 460 K C 1.857 178.598 176.600 0.236 0.000 1.050 460 K CA 0.872 57.408 56.287 0.415 0.000 0.945 460 K CB 0.029 32.684 32.500 0.259 0.000 0.732 460 K HN 0.283 nan 8.250 nan 0.000 0.451 461 K N -0.230 120.278 120.400 0.179 0.000 2.418 461 K HA 0.060 4.380 4.320 0.000 0.000 0.195 461 K C 0.872 177.615 176.600 0.238 0.000 1.035 461 K CA 0.506 56.894 56.287 0.168 0.000 1.003 461 K CB 0.476 33.041 32.500 0.109 0.000 0.793 461 K HN -0.119 nan 8.250 nan 0.000 0.494 462 S N 0.252 116.086 115.700 0.224 0.000 2.749 462 S HA 0.120 4.590 4.470 0.000 0.000 0.246 462 S C -0.480 174.382 174.600 0.436 0.000 1.023 462 S CA -0.250 58.139 58.200 0.316 0.000 1.012 462 S CB 1.131 64.383 63.200 0.086 0.000 0.942 462 S HN 0.014 nan 8.310 nan 0.000 0.531 463 T N 0.638 115.307 114.554 0.190 0.000 2.841 463 T HA 0.407 4.757 4.350 0.000 0.000 0.285 463 T C 1.009 175.408 174.700 -0.502 0.000 0.991 463 T CA -0.574 61.519 62.100 -0.011 0.000 0.966 463 T CB 1.638 70.608 68.868 0.169 0.000 0.962 463 T HN 0.191 nan 8.240 nan 0.000 0.438 464 G N 1.188 109.489 108.800 -0.832 0.000 2.956 464 G HA2 0.256 4.216 3.960 0.000 0.000 0.207 464 G HA3 0.256 4.216 3.960 0.000 0.000 0.207 464 G C 0.653 175.403 174.900 -0.250 0.000 1.162 464 G CA 0.119 44.772 45.100 -0.745 0.000 0.796 464 G HN 0.941 nan 8.290 nan 0.000 0.527 465 C N -0.484 118.718 119.300 -0.162 0.000 3.241 465 C HA 0.708 5.168 4.460 0.000 0.000 0.312 465 C C -0.549 174.450 174.990 0.016 0.000 1.350 465 C CA -1.406 57.562 59.018 -0.083 0.000 1.415 465 C CB 1.712 29.377 27.740 -0.126 0.000 1.770 465 C HN 0.273 nan 8.230 nan 0.000 0.466 466 D N 0.595 120.977 120.400 -0.029 0.000 2.377 466 D HA 0.669 5.309 4.640 0.000 0.000 0.245 466 D C -0.443 175.864 176.300 0.013 0.000 1.196 466 D CA -0.054 53.891 54.000 -0.092 0.000 0.962 466 D CB 0.344 41.051 40.800 -0.156 0.000 1.127 466 D HN 0.853 nan 8.370 nan 0.000 0.471 467 F N -3.750 116.173 119.950 -0.045 0.000 2.665 467 F HA 0.694 5.221 4.527 0.000 0.000 0.308 467 F C -0.948 174.871 175.800 0.032 0.000 1.112 467 F CA -1.665 56.322 58.000 -0.022 0.000 0.972 467 F CB 0.856 39.888 39.000 0.053 0.000 1.295 467 F HN 0.494 nan 8.300 nan 0.000 0.440 468 A N 1.319 124.242 122.820 0.172 0.000 2.286 468 A HA 0.770 5.090 4.320 0.000 0.000 0.286 468 A C -0.941 176.793 177.584 0.251 0.000 1.097 468 A CA -0.729 51.372 52.037 0.107 0.000 0.821 468 A CB 1.003 20.049 19.000 0.077 0.000 1.076 468 A HN 0.826 nan 8.150 nan 0.000 0.490 469 V N 1.588 121.602 119.914 0.167 0.000 2.417 469 V HA 0.350 4.470 4.120 0.000 0.000 0.291 469 V C 0.789 176.947 176.094 0.106 0.000 1.024 469 V CA -0.500 61.913 62.300 0.188 0.000 0.861 469 V CB 1.349 33.268 31.823 0.161 0.000 0.985 469 V HN 0.998 nan 8.190 nan 0.000 0.436 470 S N 6.626 122.382 115.700 0.094 0.000 2.558 470 S HA 0.119 4.589 4.470 0.000 0.000 0.288 470 S C -0.714 173.911 174.600 0.041 0.000 1.318 470 S CA -0.566 57.669 58.200 0.058 0.000 1.056 470 S CB 0.797 64.023 63.200 0.043 0.000 0.853 470 S HN 0.746 nan 8.310 nan 0.000 0.505 471 P HA 0.010 nan 4.420 nan 0.000 0.233 471 P C -0.234 177.075 177.300 0.015 0.000 1.167 471 P CA 0.891 64.004 63.100 0.021 0.000 0.770 471 P CB 0.058 31.768 31.700 0.017 0.000 0.837 472 K N 0.292 120.700 120.400 0.015 0.000 3.010 472 K HA 0.216 4.536 4.320 0.000 0.000 0.211 472 K C 0.067 176.669 176.600 0.003 0.000 1.146 472 K CA -0.794 55.496 56.287 0.007 0.000 1.070 472 K CB 0.117 32.620 32.500 0.005 0.000 0.908 472 K HN 0.008 nan 8.250 nan 0.000 0.463 473 L N 2.760 123.987 121.223 0.006 0.000 2.534 473 L HA 0.170 4.510 4.340 0.000 0.000 0.271 473 L C -0.134 176.726 176.870 -0.016 0.000 1.178 473 L CA 0.167 55.006 54.840 -0.001 0.000 0.907 473 L CB -0.029 42.036 42.059 0.010 0.000 1.164 473 L HN 0.246 nan 8.230 nan 0.000 0.482 474 I N 3.492 124.047 120.570 -0.025 0.000 2.982 474 I HA 0.705 4.875 4.170 0.000 0.000 0.312 474 I C -2.325 173.764 176.117 -0.048 0.000 1.041 474 I CA -2.573 58.707 61.300 -0.035 0.000 1.053 474 I CB 1.604 39.586 38.000 -0.030 0.000 1.248 474 I HN 0.425 nan 8.210 nan 0.000 0.471 475 P HA 0.089 nan 4.420 nan 0.000 0.271 475 P C -0.522 176.744 177.300 -0.056 0.000 1.218 475 P CA -0.318 62.726 63.100 -0.093 0.000 0.780 475 P CB 0.789 32.401 31.700 -0.148 0.000 0.901 476 M N 2.268 121.865 119.600 -0.006 0.000 2.260 476 M HA -0.043 4.437 4.480 0.000 0.000 0.348 476 M C 0.243 176.594 176.300 0.084 0.000 1.342 476 M CA 0.709 56.058 55.300 0.082 0.000 1.040 476 M CB -0.016 32.736 32.600 0.253 0.000 1.810 476 M HN 0.328 nan 8.290 nan 0.000 0.453 477 Q N 2.970 122.801 119.800 0.051 0.000 2.260 477 Q HA 0.296 4.636 4.340 0.000 0.000 0.242 477 Q C -0.967 175.071 176.000 0.063 0.000 0.932 477 Q CA -0.463 55.362 55.803 0.037 0.000 0.891 477 Q CB 1.303 30.044 28.738 0.004 0.000 1.222 477 Q HN 0.567 nan 8.270 nan 0.000 0.453 478 Q N 0.604 120.431 119.800 0.045 0.000 2.394 478 Q HA 0.383 4.723 4.340 0.000 0.000 0.273 478 Q C -1.126 174.858 176.000 -0.025 0.000 1.089 478 Q CA -0.639 55.175 55.803 0.019 0.000 0.812 478 Q CB 2.412 31.190 28.738 0.067 0.000 1.353 478 Q HN 0.523 nan 8.270 nan 0.000 0.438 479 V N 1.731 121.594 119.914 -0.085 0.000 2.811 479 V HA 0.243 4.363 4.120 0.000 0.000 0.302 479 V C 0.003 176.080 176.094 -0.028 0.000 1.063 479 V CA 0.458 62.727 62.300 -0.052 0.000 1.088 479 V CB 1.249 33.030 31.823 -0.070 0.000 0.982 479 V HN 0.838 nan 8.190 nan 0.000 0.485 480 T N 0.000 114.569 114.554 0.025 0.000 3.816 480 T HA 0.000 4.350 4.350 0.000 0.000 0.228 480 T CA 0.000 62.126 62.100 0.043 0.000 1.349 480 T CB 0.000 68.890 68.868 0.036 0.000 0.612 480 T HN 0.000 nan 8.240 nan 0.000 0.658