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_B 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 XXXXXXXXGD 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 0.000 174.742 174.700 0.069 0.000 1.109 1 T CA 0.000 62.131 62.100 0.052 0.000 1.349 1 T CB 0.000 68.829 68.868 -0.066 0.000 0.612 2 K N 2.369 122.792 120.400 0.039 0.000 2.185 2 K HA 0.683 5.003 4.320 0.001 0.000 0.269 2 K C -1.197 175.424 176.600 0.034 0.000 0.987 2 K CA -0.624 55.718 56.287 0.092 0.000 0.865 2 K CB 0.620 33.169 32.500 0.082 0.000 1.090 2 K HN 0.382 nan 8.250 nan 0.000 0.450 3 F N 3.308 123.262 119.950 0.006 0.000 2.422 3 F HA 0.384 4.912 4.527 0.001 0.000 0.333 3 F C -0.409 175.347 175.800 -0.073 0.000 1.095 3 F CA -0.295 57.752 58.000 0.080 0.000 1.038 3 F CB 0.832 39.858 39.000 0.043 0.000 1.156 3 F HN 0.412 nan 8.300 nan 0.000 0.483 4 Y N -0.847 119.569 120.300 0.193 0.000 2.602 4 Y HA 0.398 4.948 4.550 0.001 0.000 0.342 4 Y C 0.964 176.938 175.900 0.122 0.000 1.029 4 Y CA -1.139 57.037 58.100 0.126 0.000 1.080 4 Y CB 1.750 40.259 38.460 0.080 0.000 1.284 4 Y HN 0.567 nan 8.280 nan 0.000 0.485 5 T N -4.053 110.651 114.554 0.250 0.000 2.971 5 T HA 0.148 4.498 4.350 0.001 0.000 0.252 5 T C -0.215 174.567 174.700 0.136 0.000 1.022 5 T CA 0.116 62.313 62.100 0.161 0.000 0.980 5 T CB 0.395 69.324 68.868 0.102 0.000 1.044 5 T HN 0.523 nan 8.240 nan 0.000 0.501 6 D N 0.690 121.189 120.400 0.165 0.000 2.481 6 D HA 0.582 5.222 4.640 0.001 0.000 0.246 6 D C 1.197 177.540 176.300 0.071 0.000 1.109 6 D CA -0.212 53.850 54.000 0.103 0.000 0.845 6 D CB 2.086 42.943 40.800 0.095 0.000 1.160 6 D HN 0.099 nan 8.370 nan 0.000 0.534 7 A N 3.454 126.286 122.820 0.020 0.000 1.927 7 A HA -0.182 4.139 4.320 0.001 0.000 0.220 7 A C 2.129 179.674 177.584 -0.064 0.000 1.185 7 A CA 1.695 53.711 52.037 -0.034 0.000 0.639 7 A CB -0.471 18.505 19.000 -0.040 0.000 0.820 7 A HN 0.519 nan 8.150 nan 0.000 0.451 8 V N 0.052 119.947 119.914 -0.033 0.000 2.407 8 V HA -0.212 3.908 4.120 0.001 0.000 0.248 8 V C 2.536 178.610 176.094 -0.034 0.000 1.055 8 V CA 2.055 64.332 62.300 -0.039 0.000 1.049 8 V CB -0.716 31.096 31.823 -0.018 0.000 0.662 8 V HN 0.519 nan 8.190 nan 0.000 0.455 9 E N 0.444 120.657 120.200 0.022 0.000 2.110 9 E HA -0.177 4.173 4.350 0.001 0.000 0.193 9 E C 2.331 178.905 176.600 -0.043 0.000 0.988 9 E CA 1.522 57.981 56.400 0.099 0.000 0.804 9 E CB -0.405 29.471 29.700 0.293 0.000 0.745 9 E HN 0.588 nan 8.360 nan 0.000 0.458 10 A N 0.771 123.368 122.820 -0.373 0.000 2.066 10 A HA -0.080 4.241 4.320 0.001 0.000 0.218 10 A C 2.175 179.558 177.584 -0.335 0.000 1.157 10 A CA 1.468 53.019 52.037 -0.809 0.000 0.670 10 A CB -0.064 18.416 19.000 -0.867 0.000 0.804 10 A HN 0.184 nan 8.150 nan 0.000 0.453 11 V N -2.701 117.077 119.914 -0.227 0.000 3.477 11 V HA 0.127 4.247 4.120 0.001 0.000 0.297 11 V C 1.558 177.511 176.094 -0.236 0.000 1.433 11 V CA 0.660 62.810 62.300 -0.251 0.000 1.052 11 V CB -0.474 31.215 31.823 -0.223 0.000 0.895 11 V HN 0.605 nan 8.190 nan 0.000 0.438 12 K N 2.589 122.908 120.400 -0.135 0.000 2.218 12 K HA -0.197 4.123 4.320 0.001 0.000 0.205 12 K C 1.183 177.725 176.600 -0.097 0.000 1.046 12 K CA 2.174 58.408 56.287 -0.088 0.000 0.933 12 K CB -0.550 31.937 32.500 -0.022 0.000 0.728 12 K HN 0.635 nan 8.250 nan 0.000 0.454 13 D N 1.053 121.391 120.400 -0.102 0.000 2.395 13 D HA 0.062 4.702 4.640 0.001 0.000 0.226 13 D C 0.198 176.382 176.300 -0.193 0.000 1.146 13 D CA -0.316 53.650 54.000 -0.057 0.000 0.830 13 D CB -0.262 40.588 40.800 0.083 0.000 0.958 13 D HN 0.270 nan 8.370 nan 0.000 0.501 14 I N 2.435 122.727 120.570 -0.463 0.000 2.471 14 I HA 0.114 4.284 4.170 0.001 0.000 0.286 14 I C -1.851 174.129 176.117 -0.228 0.000 1.079 14 I CA -1.613 59.277 61.300 -0.683 0.000 1.398 14 I CB 0.866 38.409 38.000 -0.761 0.000 1.403 14 I HN -0.185 nan 8.210 nan 0.000 0.530 15 P HA 0.133 nan 4.420 nan 0.000 0.277 15 P C -0.875 176.413 177.300 -0.021 0.000 1.240 15 P CA -0.544 62.551 63.100 -0.009 0.000 0.798 15 P CB 0.548 32.283 31.700 0.059 0.000 0.979 16 N N 0.474 119.163 118.700 -0.017 0.000 2.374 16 N HA 0.165 4.905 4.740 0.001 0.000 0.241 16 N C 1.691 177.202 175.510 0.000 0.000 1.262 16 N CA 1.577 54.617 53.050 -0.016 0.000 0.880 16 N CB -0.444 38.037 38.487 -0.011 0.000 1.105 16 N HN 0.777 nan 8.380 nan 0.000 0.438 17 G N -0.692 108.108 108.800 0.000 0.000 2.212 17 G HA2 -0.273 3.687 3.960 0.001 0.000 0.266 17 G HA3 -0.273 3.687 3.960 0.001 0.000 0.266 17 G C 0.354 175.269 174.900 0.025 0.000 0.978 17 G CA 0.587 45.693 45.100 0.011 0.000 0.632 17 G HN 0.943 nan 8.290 nan 0.000 0.537 18 A N -0.092 122.748 122.820 0.034 0.000 2.483 18 A HA 0.564 4.885 4.320 0.001 0.000 0.238 18 A C 0.740 178.363 177.584 0.065 0.000 1.070 18 A CA 1.394 53.476 52.037 0.074 0.000 0.770 18 A CB 0.301 19.366 19.000 0.109 0.000 1.008 18 A HN 0.743 nan 8.150 nan 0.000 0.497 19 T N 2.023 116.626 114.554 0.082 0.000 2.728 19 T HA 0.479 4.829 4.350 0.001 0.000 0.296 19 T C -0.425 174.329 174.700 0.090 0.000 0.940 19 T CA -0.074 62.062 62.100 0.060 0.000 1.013 19 T CB 0.249 69.143 68.868 0.044 0.000 0.912 19 T HN 0.436 nan 8.240 nan 0.000 0.484 20 V N 6.105 126.059 119.914 0.067 0.000 2.444 20 V HA 0.418 4.538 4.120 0.001 0.000 0.294 20 V C -0.030 176.091 176.094 0.044 0.000 1.022 20 V CA -0.988 61.364 62.300 0.086 0.000 0.850 20 V CB 1.589 33.450 31.823 0.062 0.000 0.992 20 V HN 0.740 nan 8.190 nan 0.000 0.426 21 L N 5.175 126.430 121.223 0.052 0.000 2.313 21 L HA 0.514 4.855 4.340 0.001 0.000 0.282 21 L C -0.467 176.420 176.870 0.028 0.000 1.092 21 L CA -0.449 54.406 54.840 0.026 0.000 0.831 21 L CB 1.159 43.238 42.059 0.034 0.000 1.159 21 L HN 0.361 nan 8.230 nan 0.000 0.442 22 V N 2.851 122.764 119.914 -0.002 0.000 2.350 22 V HA 0.394 4.514 4.120 0.001 0.000 0.285 22 V C 0.908 177.008 176.094 0.011 0.000 1.014 22 V CA -0.620 61.682 62.300 0.002 0.000 0.831 22 V CB 1.241 33.049 31.823 -0.025 0.000 1.000 22 V HN 0.912 nan 8.190 nan 0.000 0.433 23 G N 2.881 111.715 108.800 0.057 0.000 2.732 23 G HA2 0.524 4.484 3.960 0.001 0.000 0.244 23 G HA3 0.524 4.484 3.960 0.001 0.000 0.244 23 G C 0.345 175.301 174.900 0.094 0.000 1.226 23 G CA 0.563 45.723 45.100 0.100 0.000 0.860 23 G HN 1.672 nan 8.290 nan 0.000 0.583 24 G N -1.760 107.136 108.800 0.159 0.000 2.525 24 G HA2 0.422 4.382 3.960 0.001 0.000 0.685 24 G HA3 0.422 4.382 3.960 0.001 0.000 0.685 24 G C -1.172 173.872 174.900 0.239 0.000 1.285 24 G CA -0.258 44.940 45.100 0.164 0.000 0.849 24 G HN 1.609 nan 8.290 nan 0.000 0.653 25 F N 2.345 122.363 119.950 0.114 0.000 2.671 25 F HA 0.641 5.168 4.527 0.001 0.000 0.332 25 F C 0.853 176.709 175.800 0.093 0.000 1.189 25 F CA 1.300 59.381 58.000 0.136 0.000 0.988 25 F CB 1.225 40.322 39.000 0.162 0.000 1.258 25 F HN 2.395 nan 8.300 nan 0.000 0.471 26 G N 4.864 113.476 108.800 -0.315 0.000 2.550 26 G HA2 -0.297 3.664 3.960 0.001 0.000 0.277 26 G HA3 -0.297 3.664 3.960 0.001 0.000 0.277 26 G C 0.216 175.142 174.900 0.044 0.000 1.190 26 G CA 0.080 45.111 45.100 -0.114 0.000 0.971 26 G HN 0.872 nan 8.290 nan 0.000 0.559 27 L N 1.712 123.007 121.223 0.119 0.000 2.685 27 L HA 0.362 4.702 4.340 0.001 0.000 0.233 27 L C 1.382 178.360 176.870 0.179 0.000 1.173 27 L CA 0.689 55.634 54.840 0.176 0.000 0.961 27 L CB -0.180 42.008 42.059 0.215 0.000 1.217 27 L HN 0.632 nan 8.230 nan 0.000 0.478 28 S N -0.580 115.225 115.700 0.176 0.000 2.462 28 S HA 0.592 5.062 4.470 0.001 0.000 0.294 28 S C 0.914 175.598 174.600 0.140 0.000 1.144 28 S CA 0.148 58.437 58.200 0.149 0.000 1.088 28 S CB 1.689 64.975 63.200 0.143 0.000 1.009 28 S HN 0.429 nan 8.310 nan 0.000 0.484 29 G N 2.700 111.561 108.800 0.101 0.000 2.160 29 G HA2 -0.208 3.753 3.960 0.001 0.000 0.244 29 G HA3 -0.208 3.753 3.960 0.001 0.000 0.244 29 G C -0.039 174.934 174.900 0.122 0.000 1.022 29 G CA 0.162 45.327 45.100 0.108 0.000 0.741 29 G HN 1.484 nan 8.290 nan 0.000 0.508 30 I N -1.568 119.070 120.570 0.114 0.000 2.365 30 I HA 0.567 4.737 4.170 0.001 0.000 0.291 30 I C -1.890 174.275 176.117 0.080 0.000 1.004 30 I CA -2.978 58.364 61.300 0.070 0.000 1.311 30 I CB 1.636 39.641 38.000 0.009 0.000 1.401 30 I HN -0.078 nan 8.210 nan 0.000 0.491 31 P HA 0.084 nan 4.420 nan 0.000 0.237 31 P C 0.358 177.651 177.300 -0.011 0.000 1.788 31 P CA -0.143 63.002 63.100 0.076 0.000 1.061 31 P CB 0.129 31.867 31.700 0.063 0.000 1.967 32 E N 1.765 121.948 120.200 -0.028 0.000 2.153 32 E HA -0.207 4.144 4.350 0.001 0.000 0.194 32 E C 1.010 177.524 176.600 -0.143 0.000 0.988 32 E CA 0.903 57.193 56.400 -0.183 0.000 0.811 32 E CB -0.483 29.086 29.700 -0.218 0.000 0.746 32 E HN 0.275 nan 8.360 nan 0.000 0.466 33 N N 0.824 119.453 118.700 -0.118 0.000 2.250 33 N HA -0.020 4.721 4.740 0.001 0.000 0.181 33 N C 2.065 177.525 175.510 -0.082 0.000 1.017 33 N CA 0.845 53.815 53.050 -0.133 0.000 0.866 33 N CB 0.004 38.384 38.487 -0.179 0.000 0.985 33 N HN 0.263 nan 8.380 nan 0.000 0.429 34 L N 0.858 122.050 121.223 -0.052 0.000 2.156 34 L HA 0.009 4.349 4.340 0.001 0.000 0.208 34 L C 2.229 179.056 176.870 -0.073 0.000 1.095 34 L CA 0.604 55.412 54.840 -0.054 0.000 0.770 34 L CB -0.230 41.813 42.059 -0.026 0.000 0.914 34 L HN 0.063 nan 8.230 nan 0.000 0.439 35 I N -0.132 120.388 120.570 -0.084 0.000 2.315 35 I HA -0.181 3.990 4.170 0.001 0.000 0.248 35 I C 2.588 178.648 176.117 -0.094 0.000 1.117 35 I CA 1.311 62.551 61.300 -0.100 0.000 1.404 35 I CB -0.667 37.247 38.000 -0.144 0.000 1.071 35 I HN 0.264 nan 8.210 nan 0.000 0.419 36 G N 0.527 109.269 108.800 -0.096 0.000 2.418 36 G HA2 -0.250 3.711 3.960 0.001 0.000 0.217 36 G HA3 -0.250 3.711 3.960 0.001 0.000 0.217 36 G C 1.858 176.721 174.900 -0.062 0.000 1.158 36 G CA 0.837 45.893 45.100 -0.074 0.000 0.771 36 G HN 0.483 nan 8.290 nan 0.000 0.545 37 A N 0.837 123.616 122.820 -0.068 0.000 1.877 37 A HA 0.076 4.397 4.320 0.001 0.000 0.216 37 A C 2.380 179.922 177.584 -0.071 0.000 1.186 37 A CA 1.270 53.268 52.037 -0.065 0.000 0.620 37 A CB -0.455 18.501 19.000 -0.073 0.000 0.822 37 A HN 0.319 nan 8.150 nan 0.000 0.443 38 L N -0.617 120.557 121.223 -0.082 0.000 2.261 38 L HA -0.175 4.165 4.340 0.001 0.000 0.216 38 L C 2.464 179.296 176.870 -0.064 0.000 1.114 38 L CA 0.940 55.729 54.840 -0.085 0.000 0.777 38 L CB -0.775 41.231 42.059 -0.088 0.000 0.910 38 L HN 0.410 nan 8.230 nan 0.000 0.440 39 L N -0.269 120.920 121.223 -0.056 0.000 2.072 39 L HA -0.187 4.154 4.340 0.001 0.000 0.205 39 L C 2.597 179.446 176.870 -0.035 0.000 1.079 39 L CA 1.327 56.142 54.840 -0.041 0.000 0.752 39 L CB -0.202 41.836 42.059 -0.036 0.000 0.906 39 L HN 0.240 nan 8.230 nan 0.000 0.436 40 K N -0.654 119.724 120.400 -0.038 0.000 2.103 40 K HA -0.110 4.210 4.320 0.001 0.000 0.204 40 K C 2.064 178.644 176.600 -0.034 0.000 1.052 40 K CA 1.760 58.028 56.287 -0.030 0.000 0.945 40 K CB -0.211 32.272 32.500 -0.028 0.000 0.722 40 K HN 0.400 nan 8.250 nan 0.000 0.443 41 T N -2.285 112.241 114.554 -0.046 0.000 2.904 41 T HA 0.002 4.353 4.350 0.001 0.000 0.267 41 T C 1.616 176.289 174.700 -0.045 0.000 1.059 41 T CA 0.951 63.022 62.100 -0.049 0.000 1.137 41 T CB -0.322 68.502 68.868 -0.073 0.000 0.879 41 T HN 0.353 nan 8.240 nan 0.000 0.467 42 G N 0.766 109.538 108.800 -0.045 0.000 2.143 42 G HA2 -0.230 3.730 3.960 0.001 0.000 0.248 42 G HA3 -0.230 3.730 3.960 0.001 0.000 0.248 42 G C 0.227 175.101 174.900 -0.043 0.000 0.991 42 G CA 0.129 45.206 45.100 -0.038 0.000 0.689 42 G HN 1.071 nan 8.290 nan 0.000 0.522 43 V N 0.955 120.834 119.914 -0.058 0.000 2.584 43 V HA 0.327 4.447 4.120 0.001 0.000 0.303 43 V C 0.841 176.906 176.094 -0.048 0.000 1.035 43 V CA 0.446 62.708 62.300 -0.063 0.000 1.172 43 V CB 0.402 32.166 31.823 -0.099 0.000 0.896 43 V HN 0.358 nan 8.190 nan 0.000 0.486 44 K N 4.489 124.867 120.400 -0.036 0.000 2.210 44 K HA 0.430 4.750 4.320 0.001 0.000 0.236 44 K C 0.435 177.021 176.600 -0.022 0.000 1.016 44 K CA -0.580 55.691 56.287 -0.027 0.000 0.913 44 K CB 0.771 33.259 32.500 -0.020 0.000 1.141 44 K HN 0.736 nan 8.250 nan 0.000 0.462 45 E N 0.569 120.758 120.200 -0.018 0.000 2.403 45 E HA -0.230 4.120 4.350 0.001 0.000 0.241 45 E C -0.542 176.052 176.600 -0.011 0.000 1.201 45 E CA 0.181 56.574 56.400 -0.013 0.000 0.721 45 E CB -1.729 27.966 29.700 -0.009 0.000 1.245 45 E HN 0.319 nan 8.360 nan 0.000 0.392 46 L N 0.079 121.293 121.223 -0.015 0.000 2.452 46 L HA 0.182 4.522 4.340 0.001 0.000 0.267 46 L C 0.911 177.777 176.870 -0.007 0.000 1.188 46 L CA 0.149 54.983 54.840 -0.010 0.000 0.821 46 L CB 0.662 42.710 42.059 -0.018 0.000 1.102 46 L HN -0.040 nan 8.230 nan 0.000 0.470 47 T N 2.202 116.756 114.554 0.000 0.000 2.832 47 T HA 0.435 4.786 4.350 0.001 0.000 0.313 47 T C 0.088 174.784 174.700 -0.006 0.000 1.035 47 T CA -0.449 61.649 62.100 -0.004 0.000 0.950 47 T CB 0.796 69.665 68.868 0.001 0.000 0.984 47 T HN 0.637 nan 8.240 nan 0.000 0.486 48 A N 4.060 126.870 122.820 -0.017 0.000 2.310 48 A HA 0.531 4.851 4.320 0.001 0.000 0.300 48 A C 0.250 177.805 177.584 -0.047 0.000 1.269 48 A CA -0.514 51.507 52.037 -0.026 0.000 0.909 48 A CB 0.111 19.094 19.000 -0.030 0.000 1.144 48 A HN 0.658 nan 8.150 nan 0.000 0.540 49 V N 3.396 123.282 119.914 -0.048 0.000 2.353 49 V HA 0.488 4.608 4.120 0.001 0.000 0.264 49 V C 0.508 176.528 176.094 -0.122 0.000 1.049 49 V CA 0.255 62.506 62.300 -0.080 0.000 0.896 49 V CB 0.367 32.158 31.823 -0.053 0.000 1.025 49 V HN 0.889 nan 8.190 nan 0.000 0.475 50 S N 3.655 119.247 115.700 -0.179 0.000 2.572 50 S HA 0.332 4.802 4.470 0.001 0.000 0.274 50 S C 0.669 175.076 174.600 -0.322 0.000 1.150 50 S CA -0.666 57.403 58.200 -0.219 0.000 0.944 50 S CB 1.598 64.716 63.200 -0.137 0.000 1.071 50 S HN 0.651 nan 8.310 nan 0.000 0.479 51 N N 4.193 122.606 118.700 -0.477 0.000 2.061 51 N HA -0.054 4.686 4.740 0.001 0.000 0.193 51 N C 0.249 175.569 175.510 -0.317 0.000 1.030 51 N CA 2.014 54.751 53.050 -0.522 0.000 0.856 51 N CB -0.127 38.031 38.487 -0.547 0.000 1.023 51 N HN 0.756 nan 8.380 nan 0.000 0.424 52 N N -2.416 116.120 118.700 -0.273 0.000 2.966 52 N HA 0.584 5.325 4.740 0.001 0.000 0.314 52 N C -1.070 174.292 175.510 -0.246 0.000 1.397 52 N CA -0.339 52.553 53.050 -0.264 0.000 0.776 52 N CB 1.242 39.584 38.487 -0.241 0.000 1.576 52 N HN 0.035 nan 8.380 nan 0.000 0.592 53 A N -0.112 122.535 122.820 -0.288 0.000 2.610 53 A HA 0.635 4.955 4.320 0.001 0.000 0.286 53 A C 1.046 178.562 177.584 -0.113 0.000 1.306 53 A CA 0.239 52.141 52.037 -0.225 0.000 0.942 53 A CB -1.301 17.446 19.000 -0.422 0.000 1.112 53 A HN 0.911 nan 8.150 nan 0.000 0.527 54 G N -0.335 108.415 108.800 -0.085 0.000 2.614 54 G HA2 -0.129 3.832 3.960 0.001 0.000 0.303 54 G HA3 -0.129 3.832 3.960 0.001 0.000 0.303 54 G C 0.535 175.443 174.900 0.013 0.000 1.270 54 G CA 1.462 46.558 45.100 -0.006 0.000 0.988 54 G HN 1.860 nan 8.290 nan 0.000 0.551 55 V N -4.032 115.925 119.914 0.072 0.000 3.119 55 V HA 0.718 4.838 4.120 0.001 0.000 0.311 55 V C 1.191 177.336 176.094 0.085 0.000 1.259 55 V CA 0.612 62.953 62.300 0.069 0.000 1.067 55 V CB 1.166 33.038 31.823 0.081 0.000 1.123 55 V HN 0.637 nan 8.190 nan 0.000 0.463 56 D N 1.675 122.121 120.400 0.078 0.000 2.123 56 D HA -0.145 4.495 4.640 0.001 0.000 0.196 56 D C 0.844 177.198 176.300 0.090 0.000 0.992 56 D CA 2.423 56.470 54.000 0.078 0.000 0.833 56 D CB -0.032 40.806 40.800 0.063 0.000 0.954 56 D HN 0.868 nan 8.370 nan 0.000 0.455 57 N N -0.752 118.017 118.700 0.115 0.000 2.401 57 N HA 0.084 4.825 4.740 0.001 0.000 0.264 57 N C -0.824 174.868 175.510 0.303 0.000 1.238 57 N CA -0.333 52.806 53.050 0.148 0.000 0.889 57 N CB -0.077 38.472 38.487 0.104 0.000 1.196 57 N HN -0.025 nan 8.380 nan 0.000 0.511 58 F N -0.658 119.300 119.950 0.014 0.000 2.703 58 F HA 0.579 5.106 4.527 0.001 0.000 0.308 58 F C 0.818 176.626 175.800 0.014 0.000 1.126 58 F CA 0.379 58.389 58.000 0.016 0.000 0.959 58 F CB 1.208 40.220 39.000 0.021 0.000 1.297 58 F HN 0.283 nan 8.300 nan 0.000 0.441 59 G N 3.173 111.700 108.800 -0.456 0.000 2.547 59 G HA2 -0.307 3.653 3.960 0.001 0.000 0.271 59 G HA3 -0.307 3.653 3.960 0.001 0.000 0.271 59 G C 0.897 175.709 174.900 -0.148 0.000 1.209 59 G CA 0.075 45.010 45.100 -0.276 0.000 0.959 59 G HN 0.962 nan 8.290 nan 0.000 0.563 60 L N 1.657 122.828 121.223 -0.086 0.000 2.189 60 L HA -0.091 4.250 4.340 0.001 0.000 0.214 60 L C 3.184 180.042 176.870 -0.020 0.000 1.097 60 L CA 2.333 57.141 54.840 -0.055 0.000 0.764 60 L CB -1.030 40.998 42.059 -0.050 0.000 0.900 60 L HN 0.868 nan 8.230 nan 0.000 0.436 61 G N -0.025 108.775 108.800 -0.000 0.000 2.469 61 G HA2 -0.275 3.686 3.960 0.001 0.000 0.220 61 G HA3 -0.275 3.686 3.960 0.001 0.000 0.220 61 G C 1.575 176.494 174.900 0.031 0.000 1.136 61 G CA 0.597 45.721 45.100 0.040 0.000 0.759 61 G HN 0.327 nan 8.290 nan 0.000 0.562 62 L N -0.295 120.932 121.223 0.006 0.000 2.083 62 L HA 0.002 4.342 4.340 0.001 0.000 0.209 62 L C 2.766 179.631 176.870 -0.008 0.000 1.083 62 L CA 0.584 55.425 54.840 0.003 0.000 0.752 62 L CB -0.268 41.771 42.059 -0.032 0.000 0.899 62 L HN 0.202 nan 8.230 nan 0.000 0.433 63 L N -1.062 120.148 121.223 -0.021 0.000 2.341 63 L HA -0.111 4.230 4.340 0.001 0.000 0.214 63 L C 2.297 179.163 176.870 -0.006 0.000 1.115 63 L CA 0.447 55.275 54.840 -0.021 0.000 0.820 63 L CB -0.143 41.897 42.059 -0.033 0.000 0.944 63 L HN 0.261 nan 8.230 nan 0.000 0.452 64 L N -0.559 120.670 121.223 0.010 0.000 2.095 64 L HA -0.170 4.170 4.340 0.001 0.000 0.204 64 L C 2.656 179.534 176.870 0.014 0.000 1.080 64 L CA 1.115 55.968 54.840 0.021 0.000 0.759 64 L CB -0.361 41.735 42.059 0.061 0.000 0.914 64 L HN 0.341 nan 8.230 nan 0.000 0.439 65 Q N 0.200 120.012 119.800 0.020 0.000 2.170 65 Q HA -0.189 4.151 4.340 0.001 0.000 0.203 65 Q C 1.901 177.906 176.000 0.007 0.000 0.976 65 Q CA 1.869 57.683 55.803 0.018 0.000 0.858 65 Q CB 0.071 28.826 28.738 0.028 0.000 0.907 65 Q HN 0.515 nan 8.270 nan 0.000 0.433 66 S N -0.951 114.750 115.700 0.002 0.000 2.605 66 S HA 0.174 4.645 4.470 0.001 0.000 0.217 66 S C 0.117 174.712 174.600 -0.008 0.000 0.958 66 S CA 0.114 58.311 58.200 -0.004 0.000 0.919 66 S CB 0.213 63.407 63.200 -0.009 0.000 0.780 66 S HN 0.344 nan 8.310 nan 0.000 0.507 67 K N 0.808 121.203 120.400 -0.008 0.000 3.016 67 K HA -0.213 4.108 4.320 0.001 0.000 0.262 67 K C 0.596 177.187 176.600 -0.015 0.000 1.043 67 K CA 1.046 57.326 56.287 -0.012 0.000 0.761 67 K CB -2.320 30.172 32.500 -0.013 0.000 1.230 67 K HN 0.640 nan 8.250 nan 0.000 0.485 68 Q N -0.395 119.395 119.800 -0.017 0.000 2.444 68 Q HA 0.156 4.497 4.340 0.001 0.000 0.206 68 Q C 0.260 176.247 176.000 -0.022 0.000 0.948 68 Q CA 0.452 56.242 55.803 -0.022 0.000 0.946 68 Q CB 0.352 29.073 28.738 -0.029 0.000 1.027 68 Q HN 0.462 nan 8.270 nan 0.000 0.513 69 I N 1.076 121.635 120.570 -0.018 0.000 2.404 69 I HA 0.095 4.266 4.170 0.001 0.000 0.293 69 I C 0.882 176.988 176.117 -0.019 0.000 0.992 69 I CA -0.298 60.992 61.300 -0.017 0.000 1.149 69 I CB 1.705 39.698 38.000 -0.011 0.000 1.315 69 I HN 0.039 nan 8.210 nan 0.000 0.446 70 K N 5.970 126.359 120.400 -0.017 0.000 2.287 70 K HA 0.213 4.534 4.320 0.001 0.000 0.199 70 K C 0.779 177.366 176.600 -0.021 0.000 1.061 70 K CA 0.062 56.339 56.287 -0.018 0.000 0.976 70 K CB 0.638 33.130 32.500 -0.012 0.000 0.898 70 K HN 0.526 nan 8.250 nan 0.000 0.492 71 R N 0.885 121.374 120.500 -0.019 0.000 2.621 71 R HA 0.330 4.671 4.340 0.001 0.000 0.284 71 R C -1.249 175.037 176.300 -0.023 0.000 0.998 71 R CA -0.670 55.416 56.100 -0.023 0.000 0.895 71 R CB 1.444 31.732 30.300 -0.019 0.000 1.195 71 R HN 0.063 nan 8.270 nan 0.000 0.450 72 M N 5.692 125.277 119.600 -0.025 0.000 2.300 72 M HA 0.419 4.899 4.480 0.001 0.000 0.348 72 M C -0.471 175.796 176.300 -0.055 0.000 1.151 72 M CA -0.650 54.634 55.300 -0.026 0.000 1.046 72 M CB 1.727 34.344 32.600 0.029 0.000 1.647 72 M HN 0.508 nan 8.290 nan 0.000 0.451 73 I N 2.541 123.065 120.570 -0.077 0.000 2.437 73 I HA 0.353 4.524 4.170 0.001 0.000 0.279 73 I C -0.637 175.396 176.117 -0.140 0.000 1.028 73 I CA -0.109 61.137 61.300 -0.089 0.000 1.142 73 I CB 1.254 39.212 38.000 -0.072 0.000 1.266 73 I HN 0.697 nan 8.210 nan 0.000 0.461 74 S N 1.958 117.567 115.700 -0.151 0.000 2.651 74 S HA 0.340 4.811 4.470 0.001 0.000 0.279 74 S C 0.520 175.020 174.600 -0.167 0.000 1.148 74 S CA -0.612 57.466 58.200 -0.203 0.000 0.837 74 S CB 2.024 65.086 63.200 -0.229 0.000 1.138 74 S HN 0.646 nan 8.310 nan 0.000 0.478 75 S N -0.400 115.204 115.700 -0.160 0.000 2.497 75 S HA 0.261 4.732 4.470 0.001 0.000 0.218 75 S C -0.162 174.457 174.600 0.032 0.000 1.023 75 S CA 0.031 58.188 58.200 -0.071 0.000 0.913 75 S CB -0.111 63.062 63.200 -0.045 0.000 0.800 75 S HN 0.770 nan 8.310 nan 0.000 0.505 76 Y N 0.977 121.174 120.300 -0.172 0.000 2.399 76 Y HA 0.486 5.036 4.550 0.001 0.000 0.327 76 Y C -0.692 175.041 175.900 -0.279 0.000 1.111 76 Y CA -1.048 56.959 58.100 -0.155 0.000 1.047 76 Y CB 1.921 40.315 38.460 -0.109 0.000 1.259 76 Y HN 0.104 nan 8.280 nan 0.000 0.434 77 V N 2.904 122.185 119.914 -1.054 0.000 2.909 77 V HA 0.662 4.782 4.120 0.001 0.000 0.362 77 V C 0.661 176.152 176.094 -1.005 0.000 1.356 77 V CA 0.265 61.900 62.300 -1.110 0.000 1.195 77 V CB 0.031 30.897 31.823 -1.595 0.000 1.256 77 V HN 0.925 nan 8.190 nan 0.000 0.567 78 G N 0.115 108.201 108.800 -1.190 0.000 2.621 78 G HA2 0.512 4.473 3.960 0.001 0.000 0.271 78 G HA3 0.512 4.473 3.960 0.001 0.000 0.271 78 G C 0.226 175.010 174.900 -0.195 0.000 1.236 78 G CA 0.003 44.802 45.100 -0.502 0.000 0.958 78 G HN 0.560 nan 8.290 nan 0.000 0.512 79 E N -1.508 118.677 120.200 -0.025 0.000 2.637 79 E HA -0.179 4.171 4.350 0.001 0.000 0.265 79 E C -0.094 176.513 176.600 0.012 0.000 1.073 79 E CA 1.137 57.550 56.400 0.023 0.000 0.778 79 E CB -1.314 28.423 29.700 0.062 0.000 1.362 79 E HN 0.473 nan 8.360 nan 0.000 0.413 80 N N -1.166 117.544 118.700 0.017 0.000 2.664 80 N HA 0.476 5.216 4.740 0.001 0.000 0.268 80 N C 0.381 175.972 175.510 0.135 0.000 1.222 80 N CA 0.456 53.547 53.050 0.067 0.000 0.805 80 N CB 0.816 39.333 38.487 0.051 0.000 1.399 80 N HN 0.033 nan 8.380 nan 0.000 0.547 81 A N 2.241 125.120 122.820 0.099 0.000 1.930 81 A HA -0.130 4.190 4.320 0.001 0.000 0.217 81 A C 1.737 179.377 177.584 0.095 0.000 1.175 81 A CA 1.648 53.739 52.037 0.091 0.000 0.627 81 A CB -0.245 18.789 19.000 0.056 0.000 0.815 81 A HN 0.658 nan 8.150 nan 0.000 0.443 82 E N -0.653 119.603 120.200 0.093 0.000 2.152 82 E HA -0.139 4.212 4.350 0.001 0.000 0.192 82 E C 1.559 178.204 176.600 0.074 0.000 0.983 82 E CA 1.261 57.701 56.400 0.067 0.000 0.818 82 E CB -0.518 29.217 29.700 0.058 0.000 0.758 82 E HN 0.568 nan 8.360 nan 0.000 0.467 83 F N 1.324 121.279 119.950 0.008 0.000 2.113 83 F HA -0.054 4.473 4.527 0.001 0.000 0.297 83 F C 2.154 177.989 175.800 0.059 0.000 1.103 83 F CA 2.056 60.059 58.000 0.005 0.000 1.248 83 F CB -0.370 38.606 39.000 -0.039 0.000 0.999 83 F HN 0.126 nan 8.300 nan 0.000 0.475 84 E N 0.203 120.577 120.200 0.290 0.000 2.110 84 E HA -0.247 4.104 4.350 0.001 0.000 0.193 84 E C 2.524 179.145 176.600 0.035 0.000 0.988 84 E CA 0.992 57.525 56.400 0.223 0.000 0.804 84 E CB -0.259 29.582 29.700 0.235 0.000 0.745 84 E HN 0.427 nan 8.360 nan 0.000 0.458 85 R N 0.272 120.778 120.500 0.009 0.000 2.070 85 R HA -0.187 4.153 4.340 0.001 0.000 0.233 85 R C 2.407 178.674 176.300 -0.056 0.000 1.137 85 R CA 1.992 58.078 56.100 -0.023 0.000 0.945 85 R CB -0.131 30.163 30.300 -0.011 0.000 0.845 85 R HN 0.284 nan 8.270 nan 0.000 0.430 86 Q N -0.878 118.866 119.800 -0.093 0.000 2.096 86 Q HA -0.246 4.094 4.340 0.001 0.000 0.204 86 Q C 1.963 177.907 176.000 -0.093 0.000 0.982 86 Q CA 1.820 57.554 55.803 -0.115 0.000 0.850 86 Q CB -0.309 28.329 28.738 -0.167 0.000 0.901 86 Q HN 0.407 nan 8.270 nan 0.000 0.422 87 Y N 1.264 121.332 120.300 -0.385 0.000 2.133 87 Y HA -0.137 4.413 4.550 0.001 0.000 0.287 87 Y C 1.851 177.749 175.900 -0.003 0.000 1.134 87 Y CA 1.160 59.094 58.100 -0.277 0.000 1.133 87 Y CB -0.414 37.760 38.460 -0.477 0.000 0.987 87 Y HN -0.003 nan 8.280 nan 0.000 0.502 88 L N -0.395 120.789 121.223 -0.066 0.000 2.141 88 L HA -0.126 4.215 4.340 0.001 0.000 0.209 88 L C 2.570 179.343 176.870 -0.161 0.000 1.094 88 L CA 1.091 55.775 54.840 -0.259 0.000 0.763 88 L CB -0.878 41.041 42.059 -0.234 0.000 0.908 88 L HN 0.255 nan 8.230 nan 0.000 0.437 89 A N -0.396 122.378 122.820 -0.077 0.000 2.119 89 A HA 0.220 4.540 4.320 0.001 0.000 0.216 89 A C 1.814 179.387 177.584 -0.019 0.000 1.152 89 A CA 0.922 52.927 52.037 -0.053 0.000 0.708 89 A CB -0.366 18.608 19.000 -0.042 0.000 0.805 89 A HN 0.526 nan 8.150 nan 0.000 0.460 90 G N -0.756 108.056 108.800 0.019 0.000 2.141 90 G HA2 -0.238 3.722 3.960 0.001 0.000 0.242 90 G HA3 -0.238 3.722 3.960 0.001 0.000 0.242 90 G C 0.349 175.265 174.900 0.026 0.000 0.982 90 G CA 0.516 45.646 45.100 0.051 0.000 0.662 90 G HN 0.608 nan 8.290 nan 0.000 0.527 91 E N -1.217 118.985 120.200 0.004 0.000 2.474 91 E HA 0.350 4.701 4.350 0.001 0.000 0.194 91 E C 0.598 177.183 176.600 -0.025 0.000 1.041 91 E CA 0.158 56.550 56.400 -0.014 0.000 0.874 91 E CB 0.673 30.356 29.700 -0.028 0.000 0.914 91 E HN 0.424 nan 8.360 nan 0.000 0.498 92 L N 1.193 122.401 121.223 -0.024 0.000 2.408 92 L HA 0.332 4.672 4.340 0.001 0.000 0.268 92 L C -1.216 175.645 176.870 -0.016 0.000 0.986 92 L CA -0.688 54.115 54.840 -0.062 0.000 0.820 92 L CB 2.023 43.963 42.059 -0.197 0.000 1.303 92 L HN -0.233 nan 8.230 nan 0.000 0.411 93 E N 3.249 123.431 120.200 -0.029 0.000 2.216 93 E HA 0.622 4.973 4.350 0.001 0.000 0.279 93 E C -1.340 175.222 176.600 -0.063 0.000 0.997 93 E CA -0.627 55.766 56.400 -0.013 0.000 0.817 93 E CB 2.045 31.739 29.700 -0.010 0.000 1.096 93 E HN 0.416 nan 8.360 nan 0.000 0.393 94 V N 3.015 122.880 119.914 -0.081 0.000 2.569 94 V HA 0.174 4.295 4.120 0.001 0.000 0.301 94 V C -0.590 175.461 176.094 -0.071 0.000 1.044 94 V CA -0.791 61.420 62.300 -0.149 0.000 0.874 94 V CB 1.714 33.239 31.823 -0.497 0.000 1.002 94 V HN 0.675 nan 8.190 nan 0.000 0.424 95 E N 4.737 124.904 120.200 -0.055 0.000 2.035 95 E HA 0.416 4.766 4.350 0.001 0.000 0.271 95 E C -0.821 175.754 176.600 -0.042 0.000 0.953 95 E CA -0.423 55.957 56.400 -0.033 0.000 0.777 95 E CB 1.266 30.944 29.700 -0.037 0.000 1.104 95 E HN 0.563 nan 8.360 nan 0.000 0.408 96 L N 3.565 124.786 121.223 -0.004 0.000 2.433 96 L HA 0.141 4.482 4.340 0.001 0.000 0.275 96 L C 0.118 176.948 176.870 -0.067 0.000 1.128 96 L CA 0.304 55.139 54.840 -0.007 0.000 0.875 96 L CB 0.114 42.250 42.059 0.127 0.000 1.171 96 L HN 0.376 nan 8.230 nan 0.000 0.463 97 T N 3.956 118.450 114.554 -0.099 0.000 2.824 97 T HA 0.370 4.721 4.350 0.001 0.000 0.282 97 T C -2.508 172.105 174.700 -0.146 0.000 0.993 97 T CA -1.674 60.356 62.100 -0.117 0.000 0.967 97 T CB 1.910 70.721 68.868 -0.096 0.000 0.960 97 T HN 0.222 nan 8.240 nan 0.000 0.441 98 P HA 0.090 nan 4.420 nan 0.000 0.264 98 P C 0.865 178.033 177.300 -0.220 0.000 1.193 98 P CA 0.063 63.042 63.100 -0.202 0.000 0.763 98 P CB 0.565 32.154 31.700 -0.184 0.000 0.810 99 Q N 3.070 122.714 119.800 -0.260 0.000 2.096 99 Q HA -0.219 4.121 4.340 0.001 0.000 0.208 99 Q C 2.147 177.813 176.000 -0.556 0.000 0.993 99 Q CA 2.418 58.062 55.803 -0.265 0.000 0.862 99 Q CB -0.766 27.887 28.738 -0.142 0.000 0.915 99 Q HN 0.707 nan 8.270 nan 0.000 0.416 100 G N -0.978 107.015 108.800 -1.346 0.000 2.422 100 G HA2 -0.240 3.721 3.960 0.001 0.000 0.218 100 G HA3 -0.240 3.721 3.960 0.001 0.000 0.218 100 G C 1.330 176.111 174.900 -0.198 0.000 1.146 100 G CA 1.259 45.741 45.100 -1.031 0.000 0.769 100 G HN 0.347 nan 8.290 nan 0.000 0.547 101 T N 0.958 115.437 114.554 -0.126 0.000 2.777 101 T HA -0.097 4.253 4.350 0.001 0.000 0.266 101 T C 2.248 177.008 174.700 0.099 0.000 1.040 101 T CA 1.101 63.240 62.100 0.065 0.000 1.141 101 T CB -0.213 68.669 68.868 0.024 0.000 0.868 101 T HN 0.130 nan 8.240 nan 0.000 0.444 102 L N 1.552 122.798 121.223 0.038 0.000 1.989 102 L HA -0.037 4.303 4.340 0.001 0.000 0.211 102 L C 2.644 179.660 176.870 0.243 0.000 1.071 102 L CA 2.117 57.012 54.840 0.091 0.000 0.749 102 L CB -1.066 40.987 42.059 -0.009 0.000 0.890 102 L HN 0.231 nan 8.230 nan 0.000 0.431 103 A N -0.954 122.090 122.820 0.374 0.000 1.908 103 A HA -0.277 4.043 4.320 0.001 0.000 0.218 103 A C 2.274 179.907 177.584 0.082 0.000 1.181 103 A CA 1.932 54.134 52.037 0.274 0.000 0.627 103 A CB -0.763 18.261 19.000 0.040 0.000 0.818 103 A HN 0.566 nan 8.150 nan 0.000 0.445 104 E N -0.117 120.106 120.200 0.039 0.000 2.107 104 E HA -0.105 4.245 4.350 0.001 0.000 0.191 104 E C 2.150 178.698 176.600 -0.086 0.000 0.982 104 E CA 1.217 57.535 56.400 -0.137 0.000 0.809 104 E CB -0.182 29.357 29.700 -0.267 0.000 0.756 104 E HN 0.604 nan 8.360 nan 0.000 0.459 105 R N -0.202 120.410 120.500 0.186 0.000 2.092 105 R HA -0.010 4.330 4.340 0.001 0.000 0.231 105 R C 2.437 178.808 176.300 0.119 0.000 1.119 105 R CA 1.434 57.697 56.100 0.271 0.000 0.970 105 R CB -0.352 30.081 30.300 0.221 0.000 0.864 105 R HN 0.257 nan 8.270 nan 0.000 0.440 106 I N 0.455 121.078 120.570 0.089 0.000 2.142 106 I HA -0.304 3.867 4.170 0.001 0.000 0.240 106 I C 2.804 178.926 176.117 0.008 0.000 1.078 106 I CA 1.281 62.616 61.300 0.059 0.000 1.343 106 I CB -0.292 37.768 38.000 0.101 0.000 1.046 106 I HN 0.144 nan 8.210 nan 0.000 0.405 107 R N 1.390 121.873 120.500 -0.029 0.000 2.096 107 R HA -0.243 4.098 4.340 0.001 0.000 0.240 107 R C 2.349 178.609 176.300 -0.066 0.000 1.139 107 R CA 1.944 57.996 56.100 -0.080 0.000 0.952 107 R CB -0.398 29.826 30.300 -0.127 0.000 0.854 107 R HN 0.366 nan 8.270 nan 0.000 0.436 108 A N 0.369 123.151 122.820 -0.064 0.000 1.940 108 A HA -0.115 4.205 4.320 0.001 0.000 0.219 108 A C 2.410 180.008 177.584 0.024 0.000 1.176 108 A CA 1.805 53.833 52.037 -0.015 0.000 0.631 108 A CB -1.359 17.690 19.000 0.082 0.000 0.814 108 A HN 0.637 nan 8.150 nan 0.000 0.446 109 G N -1.048 107.771 108.800 0.032 0.000 2.462 109 G HA2 0.043 4.003 3.960 0.001 0.000 0.220 109 G HA3 0.043 4.003 3.960 0.001 0.000 0.220 109 G C 1.280 176.193 174.900 0.023 0.000 1.121 109 G CA 1.262 46.381 45.100 0.032 0.000 0.758 109 G HN 0.793 nan 8.290 nan 0.000 0.559 110 G N -0.431 108.370 108.800 0.003 0.000 2.921 110 G HA2 0.364 4.325 3.960 0.001 0.000 0.213 110 G HA3 0.364 4.325 3.960 0.001 0.000 0.213 110 G C 1.284 176.214 174.900 0.051 0.000 1.143 110 G CA 0.951 46.060 45.100 0.014 0.000 0.764 110 G HN 0.557 nan 8.290 nan 0.000 0.542 111 A N -0.052 122.783 122.820 0.025 0.000 2.423 111 A HA 0.522 4.842 4.320 0.001 0.000 0.246 111 A C 1.784 179.389 177.584 0.035 0.000 1.278 111 A CA 0.905 52.962 52.037 0.034 0.000 0.903 111 A CB -0.403 18.597 19.000 -0.001 0.000 0.997 111 A HN 1.366 nan 8.150 nan 0.000 0.510 112 G N -0.962 107.862 108.800 0.040 0.000 2.179 112 G HA2 -0.191 3.770 3.960 0.001 0.000 0.257 112 G HA3 -0.191 3.770 3.960 0.001 0.000 0.257 112 G C 0.056 174.977 174.900 0.035 0.000 1.010 112 G CA 0.405 45.528 45.100 0.038 0.000 0.736 112 G HN 0.840 nan 8.290 nan 0.000 0.513 113 V N 1.786 121.723 119.914 0.038 0.000 2.328 113 V HA 0.350 4.470 4.120 0.001 0.000 0.278 113 V C -0.056 176.081 176.094 0.071 0.000 1.021 113 V CA -0.730 61.601 62.300 0.051 0.000 0.838 113 V CB 1.751 33.601 31.823 0.046 0.000 0.999 113 V HN 0.177 nan 8.190 nan 0.000 0.447 114 P HA 0.069 nan 4.420 nan 0.000 0.219 114 P C 0.257 177.581 177.300 0.042 0.000 1.150 114 P CA 0.956 64.082 63.100 0.043 0.000 0.814 114 P CB 0.818 32.531 31.700 0.022 0.000 0.787 115 A N -1.144 121.703 122.820 0.046 0.000 2.601 115 A HA 0.667 4.987 4.320 0.001 0.000 0.291 115 A C -1.397 176.195 177.584 0.012 0.000 1.075 115 A CA -0.650 51.360 52.037 -0.045 0.000 0.671 115 A CB 0.602 19.494 19.000 -0.181 0.000 1.277 115 A HN 0.128 nan 8.150 nan 0.000 0.417 116 F N -1.994 117.833 119.950 -0.205 0.000 2.779 116 F HA 0.843 5.370 4.527 0.001 0.000 0.316 116 F C -1.769 173.850 175.800 -0.301 0.000 1.164 116 F CA -1.427 56.454 58.000 -0.198 0.000 0.924 116 F CB 0.707 39.654 39.000 -0.089 0.000 1.348 116 F HN 0.490 nan 8.300 nan 0.000 0.467 117 Y N 0.026 120.341 120.300 0.025 0.000 2.387 117 Y HA 0.679 5.229 4.550 0.001 0.000 0.336 117 Y C 0.272 176.290 175.900 0.196 0.000 1.067 117 Y CA -0.594 57.497 58.100 -0.015 0.000 1.114 117 Y CB 2.140 40.511 38.460 -0.147 0.000 1.208 117 Y HN 0.895 nan 8.280 nan 0.000 0.458 118 T N -0.167 114.672 114.554 0.475 0.000 2.894 118 T HA 0.205 4.555 4.350 0.001 0.000 0.309 118 T C 0.492 175.524 174.700 0.553 0.000 1.208 118 T CA -0.284 62.141 62.100 0.542 0.000 1.016 118 T CB 1.511 70.627 68.868 0.413 0.000 1.192 118 T HN 0.611 nan 8.240 nan 0.000 0.491 119 S N 1.749 117.705 115.700 0.428 0.000 2.436 119 S HA 0.090 4.560 4.470 0.001 0.000 0.228 119 S C 0.879 175.557 174.600 0.129 0.000 1.014 119 S CA 0.778 59.013 58.200 0.058 0.000 0.950 119 S CB -0.326 62.809 63.200 -0.109 0.000 0.784 119 S HN 0.829 nan 8.310 nan 0.000 0.504 120 T N 1.883 116.530 114.554 0.156 0.000 2.908 120 T HA 0.420 4.770 4.350 0.001 0.000 0.301 120 T C 1.250 175.990 174.700 0.067 0.000 1.019 120 T CA 0.820 62.978 62.100 0.097 0.000 1.152 120 T CB 0.389 69.306 68.868 0.082 0.000 0.966 120 T HN 0.753 nan 8.240 nan 0.000 0.540 121 G N 2.518 111.328 108.800 0.016 0.000 2.205 121 G HA2 -0.297 3.663 3.960 0.001 0.000 0.261 121 G HA3 -0.297 3.663 3.960 0.001 0.000 0.261 121 G C 0.075 174.973 174.900 -0.004 0.000 0.980 121 G CA 0.175 45.255 45.100 -0.033 0.000 0.632 121 G HN 0.864 nan 8.290 nan 0.000 0.533 122 Y N 1.366 121.663 120.300 -0.004 0.000 2.620 122 Y HA 0.344 4.895 4.550 0.001 0.000 0.330 122 Y C 1.486 177.385 175.900 -0.001 0.000 1.186 122 Y CA 1.045 59.145 58.100 -0.001 0.000 1.467 122 Y CB 0.563 39.018 38.460 -0.008 0.000 1.262 122 Y HN 1.455 nan 8.280 nan 0.000 0.550 123 G N 3.388 111.548 108.800 -1.067 0.000 2.148 123 G HA2 -0.262 3.698 3.960 0.001 0.000 0.254 123 G HA3 -0.262 3.698 3.960 0.001 0.000 0.254 123 G C 0.136 174.892 174.900 -0.241 0.000 0.981 123 G CA 0.623 45.319 45.100 -0.673 0.000 0.670 123 G HN 1.231 nan 8.290 nan 0.000 0.528 124 T N -3.317 111.144 114.554 -0.155 0.000 2.773 124 T HA 0.704 5.054 4.350 0.001 0.000 0.278 124 T C 1.528 176.240 174.700 0.020 0.000 1.011 124 T CA -0.231 61.869 62.100 0.000 0.000 1.014 124 T CB 1.194 70.061 68.868 -0.001 0.000 1.293 124 T HN 0.231 nan 8.240 nan 0.000 0.554 125 L N 0.736 122.045 121.223 0.143 0.000 2.191 125 L HA -0.045 4.295 4.340 0.001 0.000 0.212 125 L C 2.763 179.666 176.870 0.055 0.000 1.103 125 L CA 0.680 55.601 54.840 0.136 0.000 0.769 125 L CB -0.772 41.461 42.059 0.291 0.000 0.908 125 L HN 0.541 nan 8.230 nan 0.000 0.438 126 V N -0.173 119.737 119.914 -0.006 0.000 2.261 126 V HA -0.312 3.808 4.120 0.001 0.000 0.246 126 V C 2.544 178.623 176.094 -0.026 0.000 1.047 126 V CA 2.059 64.333 62.300 -0.044 0.000 1.015 126 V CB -0.531 31.230 31.823 -0.104 0.000 0.642 126 V HN 0.549 nan 8.190 nan 0.000 0.446 127 Q N 0.085 119.865 119.800 -0.033 0.000 2.049 127 Q HA -0.210 4.130 4.340 0.001 0.000 0.198 127 Q C 2.157 178.141 176.000 -0.026 0.000 0.971 127 Q CA 1.909 57.699 55.803 -0.022 0.000 0.833 127 Q CB -0.074 28.634 28.738 -0.051 0.000 0.896 127 Q HN 0.742 nan 8.270 nan 0.000 0.434 128 E N -0.269 119.906 120.200 -0.042 0.000 2.208 128 E HA 0.070 4.421 4.350 0.001 0.000 0.193 128 E C 0.740 177.337 176.600 -0.005 0.000 0.988 128 E CA 0.462 56.844 56.400 -0.030 0.000 0.828 128 E CB 0.002 29.681 29.700 -0.035 0.000 0.763 128 E HN 0.545 nan 8.360 nan 0.000 0.478 129 G N -1.109 107.696 108.800 0.007 0.000 2.757 129 G HA2 0.005 3.965 3.960 0.001 0.000 0.638 129 G HA3 0.005 3.965 3.960 0.001 0.000 0.638 129 G C 0.579 175.496 174.900 0.028 0.000 1.344 129 G CA -0.528 44.580 45.100 0.014 0.000 0.855 129 G HN 0.677 nan 8.290 nan 0.000 0.537 130 G N -1.875 106.939 108.800 0.025 0.000 2.175 130 G HA2 0.096 4.056 3.960 0.001 0.000 0.244 130 G HA3 0.096 4.056 3.960 0.001 0.000 0.244 130 G C 0.869 175.796 174.900 0.044 0.000 0.982 130 G CA 1.530 46.646 45.100 0.026 0.000 0.641 130 G HN 2.338 nan 8.290 nan 0.000 0.527 131 S N 2.572 118.317 115.700 0.076 0.000 2.531 131 S HA 0.543 5.013 4.470 0.001 0.000 0.279 131 S C -1.735 172.887 174.600 0.036 0.000 1.305 131 S CA -0.580 57.696 58.200 0.126 0.000 1.058 131 S CB 1.016 64.330 63.200 0.190 0.000 0.899 131 S HN 0.323 nan 8.310 nan 0.000 0.493 132 P HA 0.186 nan 4.420 nan 0.000 0.276 132 P C 0.264 177.507 177.300 -0.095 0.000 1.243 132 P CA -0.079 62.889 63.100 -0.219 0.000 0.768 132 P CB 0.669 31.975 31.700 -0.658 0.000 0.856 133 I N 2.136 122.661 120.570 -0.076 0.000 2.729 133 I HA 0.120 4.290 4.170 0.001 0.000 0.256 133 I C 1.256 177.401 176.117 0.047 0.000 1.115 133 I CA 0.774 62.080 61.300 0.011 0.000 1.446 133 I CB 0.206 38.201 38.000 -0.008 0.000 1.176 133 I HN 0.308 nan 8.210 nan 0.000 0.446 134 K N 0.342 120.715 120.400 -0.044 0.000 2.471 134 K HA 0.356 4.677 4.320 0.001 0.000 0.252 134 K C -1.579 174.978 176.600 -0.071 0.000 0.938 134 K CA -0.527 55.759 56.287 -0.002 0.000 0.796 134 K CB 1.586 34.095 32.500 0.014 0.000 1.161 134 K HN -0.217 nan 8.250 nan 0.000 0.425 135 Y N 1.047 121.328 120.300 -0.032 0.000 2.392 135 Y HA 0.350 4.900 4.550 0.001 0.000 0.323 135 Y C 0.681 176.539 175.900 -0.070 0.000 1.291 135 Y CA -0.449 57.590 58.100 -0.102 0.000 1.345 135 Y CB 1.056 39.381 38.460 -0.225 0.000 1.320 135 Y HN 0.534 nan 8.280 nan 0.000 0.518 136 N N 0.226 119.013 118.700 0.145 0.000 2.384 136 N HA 0.197 4.938 4.740 0.001 0.000 0.301 136 N C 0.395 175.901 175.510 -0.007 0.000 1.133 136 N CA -0.597 52.480 53.050 0.046 0.000 0.853 136 N CB 1.891 40.396 38.487 0.030 0.000 1.241 136 N HN 0.418 nan 8.380 nan 0.000 0.502 137 K N 1.187 121.569 120.400 -0.031 0.000 2.032 137 K HA -0.248 4.072 4.320 0.001 0.000 0.218 137 K C 0.981 177.525 176.600 -0.093 0.000 1.054 137 K CA 2.374 58.620 56.287 -0.067 0.000 0.941 137 K CB -0.549 31.921 32.500 -0.049 0.000 0.720 137 K HN 0.710 nan 8.250 nan 0.000 0.449 138 D N -1.790 118.573 120.400 -0.063 0.000 2.332 138 D HA -0.149 4.492 4.640 0.001 0.000 0.209 138 D C 1.210 177.456 176.300 -0.089 0.000 0.988 138 D CA 1.298 55.260 54.000 -0.063 0.000 0.912 138 D CB -0.219 40.560 40.800 -0.035 0.000 0.899 138 D HN 0.400 nan 8.370 nan 0.000 0.477 139 G N -0.524 108.200 108.800 -0.127 0.000 2.213 139 G HA2 -0.285 3.676 3.960 0.001 0.000 0.226 139 G HA3 -0.285 3.676 3.960 0.001 0.000 0.226 139 G C 0.470 175.352 174.900 -0.030 0.000 0.992 139 G CA 0.203 45.188 45.100 -0.192 0.000 0.632 139 G HN 0.862 nan 8.290 nan 0.000 0.511 140 S N 0.169 115.890 115.700 0.034 0.000 2.592 140 S HA 0.700 5.171 4.470 0.001 0.000 0.271 140 S C 0.433 175.131 174.600 0.162 0.000 1.326 140 S CA -0.657 57.592 58.200 0.081 0.000 1.024 140 S CB 1.621 64.841 63.200 0.034 0.000 0.921 140 S HN 0.539 nan 8.310 nan 0.000 0.527 141 I N 2.242 122.873 120.570 0.102 0.000 2.416 141 I HA 0.250 4.420 4.170 0.001 0.000 0.288 141 I C 1.230 177.349 176.117 0.004 0.000 1.051 141 I CA -0.371 60.939 61.300 0.017 0.000 1.375 141 I CB 1.038 39.013 38.000 -0.041 0.000 1.407 141 I HN 0.950 nan 8.210 nan 0.000 0.516 142 A N 7.737 130.553 122.820 -0.007 0.000 1.887 142 A HA 0.316 4.636 4.320 0.001 0.000 0.212 142 A C 0.896 178.471 177.584 -0.015 0.000 1.198 142 A CA 0.802 52.839 52.037 -0.001 0.000 0.628 142 A CB 0.142 19.149 19.000 0.012 0.000 0.847 142 A HN 0.615 nan 8.150 nan 0.000 0.449 143 I N 0.080 120.631 120.570 -0.032 0.000 2.418 143 I HA 0.550 4.721 4.170 0.001 0.000 0.287 143 I C -0.214 175.879 176.117 -0.040 0.000 1.008 143 I CA -0.615 60.669 61.300 -0.026 0.000 1.104 143 I CB 1.864 39.854 38.000 -0.018 0.000 1.264 143 I HN 0.203 nan 8.210 nan 0.000 0.438 144 A N 4.424 127.228 122.820 -0.026 0.000 2.324 144 A HA 0.680 5.000 4.320 0.001 0.000 0.330 144 A C 0.250 177.828 177.584 -0.010 0.000 1.165 144 A CA -0.528 51.496 52.037 -0.022 0.000 0.813 144 A CB 1.089 20.081 19.000 -0.013 0.000 1.197 144 A HN 0.788 nan 8.150 nan 0.000 0.484 145 S N 2.323 118.022 115.700 -0.001 0.000 2.572 145 S HA 0.310 4.781 4.470 0.001 0.000 0.279 145 S C -0.080 174.521 174.600 0.001 0.000 1.341 145 S CA -0.340 57.861 58.200 0.002 0.000 1.043 145 S CB 0.379 63.587 63.200 0.014 0.000 0.887 145 S HN 0.542 nan 8.310 nan 0.000 0.516 146 K N 2.397 122.794 120.400 -0.004 0.000 2.098 146 K HA 0.499 4.819 4.320 0.001 0.000 0.261 146 K C -2.342 174.256 176.600 -0.004 0.000 0.987 146 K CA -2.463 53.821 56.287 -0.004 0.000 0.916 146 K CB 0.141 32.637 32.500 -0.007 0.000 1.039 146 K HN 0.531 nan 8.250 nan 0.000 0.455 147 P HA 0.113 nan 4.420 nan 0.000 0.270 147 P C -0.410 176.890 177.300 0.000 0.000 1.223 147 P CA -0.199 62.901 63.100 0.000 0.000 0.785 147 P CB 0.645 32.348 31.700 0.004 0.000 0.923 148 R N 1.178 121.682 120.500 0.007 0.000 2.604 148 R HA 0.340 4.680 4.340 0.001 0.000 0.287 148 R C 0.308 176.637 176.300 0.049 0.000 0.970 148 R CA -0.885 55.219 56.100 0.007 0.000 0.946 148 R CB 0.717 31.017 30.300 0.001 0.000 1.127 148 R HN 0.535 nan 8.270 nan 0.000 0.473 149 E N 0.838 121.071 120.200 0.056 0.000 2.384 149 E HA 0.114 4.464 4.350 0.001 0.000 0.266 149 E C -0.402 176.325 176.600 0.212 0.000 1.012 149 E CA -0.049 56.419 56.400 0.114 0.000 0.901 149 E CB 0.975 30.746 29.700 0.118 0.000 0.967 149 E HN 0.111 nan 8.360 nan 0.000 0.435 150 V N 3.841 123.879 119.914 0.207 0.000 2.532 150 V HA 0.491 4.612 4.120 0.001 0.000 0.295 150 V C -0.004 176.214 176.094 0.207 0.000 1.041 150 V CA -0.484 61.965 62.300 0.249 0.000 0.926 150 V CB 1.559 33.507 31.823 0.209 0.000 0.992 150 V HN 0.618 nan 8.190 nan 0.000 0.457 151 R N 2.391 123.010 120.500 0.197 0.000 2.626 151 R HA 0.480 4.821 4.340 0.001 0.000 0.274 151 R C -1.226 175.022 176.300 -0.086 0.000 1.031 151 R CA -0.722 55.356 56.100 -0.038 0.000 0.898 151 R CB 2.081 32.236 30.300 -0.242 0.000 1.222 151 R HN 0.730 nan 8.270 nan 0.000 0.455 152 E N 2.498 122.547 120.200 -0.251 0.000 2.289 152 E HA 0.306 4.657 4.350 0.001 0.000 0.278 152 E C -1.552 174.714 176.600 -0.558 0.000 1.032 152 E CA 0.215 56.479 56.400 -0.226 0.000 0.854 152 E CB 0.570 30.153 29.700 -0.194 0.000 1.046 152 E HN 0.305 nan 8.360 nan 0.000 0.409 153 F N 3.574 123.549 119.950 0.042 0.000 2.585 153 F HA 0.300 4.827 4.527 0.001 0.000 0.319 153 F C -0.066 175.757 175.800 0.039 0.000 1.165 153 F CA -1.044 56.927 58.000 -0.048 0.000 0.949 153 F CB 1.436 40.265 39.000 -0.285 0.000 1.218 153 F HN 0.457 nan 8.300 nan 0.000 0.453 154 N N 2.308 121.087 118.700 0.131 0.000 2.727 154 N HA -0.223 4.517 4.740 0.001 0.000 0.249 154 N C 1.114 176.653 175.510 0.049 0.000 1.048 154 N CA 1.167 54.268 53.050 0.085 0.000 0.714 154 N CB -1.031 37.521 38.487 0.108 0.000 0.959 154 N HN 1.217 nan 8.380 nan 0.000 0.544 155 G N -0.777 108.015 108.800 -0.014 0.000 2.184 155 G HA2 -0.371 3.590 3.960 0.001 0.000 0.264 155 G HA3 -0.371 3.590 3.960 0.001 0.000 0.264 155 G C -0.133 174.664 174.900 -0.171 0.000 0.975 155 G CA 1.017 46.066 45.100 -0.085 0.000 0.642 155 G HN 0.709 nan 8.290 nan 0.000 0.536 156 Q N -0.141 119.599 119.800 -0.100 0.000 2.351 156 Q HA 0.551 4.892 4.340 0.001 0.000 0.273 156 Q C -0.718 175.059 176.000 -0.372 0.000 1.077 156 Q CA -0.987 54.645 55.803 -0.284 0.000 0.843 156 Q CB 1.047 29.665 28.738 -0.200 0.000 1.367 156 Q HN 0.400 nan 8.270 nan 0.000 0.449 157 H N 2.397 121.144 119.070 -0.540 0.000 2.620 157 H HA 0.327 4.883 4.556 0.001 0.000 0.313 157 H C -0.954 173.926 175.328 -0.747 0.000 1.075 157 H CA 0.300 55.933 56.048 -0.693 0.000 1.397 157 H CB 0.160 29.015 29.762 -1.512 0.000 1.446 157 H HN 0.402 nan 8.280 nan 0.000 0.493 158 F N 1.946 121.917 119.950 0.036 0.000 2.611 158 F HA 0.459 4.986 4.527 0.001 0.000 0.324 158 F C 0.518 176.505 175.800 0.311 0.000 1.061 158 F CA -1.132 56.984 58.000 0.194 0.000 0.954 158 F CB 1.592 40.755 39.000 0.271 0.000 1.301 158 F HN 0.341 nan 8.300 nan 0.000 0.482 159 I N 0.544 121.436 120.570 0.537 0.000 2.646 159 I HA 0.649 4.820 4.170 0.001 0.000 0.299 159 I C -1.498 174.764 176.117 0.241 0.000 1.036 159 I CA -1.211 60.320 61.300 0.385 0.000 1.074 159 I CB 2.078 40.211 38.000 0.222 0.000 1.258 159 I HN 0.454 nan 8.210 nan 0.000 0.430 160 L N 4.660 125.896 121.223 0.023 0.000 2.319 160 L HA 0.442 4.783 4.340 0.001 0.000 0.280 160 L C -0.296 176.323 176.870 -0.419 0.000 1.099 160 L CA 0.752 55.301 54.840 -0.485 0.000 0.828 160 L CB 0.331 42.108 42.059 -0.471 0.000 1.150 160 L HN 0.598 nan 8.230 nan 0.000 0.442 161 E N 4.221 123.995 120.200 -0.710 0.000 2.238 161 E HA 0.402 4.752 4.350 0.001 0.000 0.267 161 E C -1.061 175.202 176.600 -0.562 0.000 0.887 161 E CA -0.585 55.457 56.400 -0.597 0.000 0.769 161 E CB 1.900 31.219 29.700 -0.635 0.000 1.187 161 E HN 0.622 nan 8.360 nan 0.000 0.416 162 E N 0.467 120.522 120.200 -0.241 0.000 2.227 162 E HA 0.562 4.912 4.350 0.001 0.000 0.268 162 E C -0.516 176.102 176.600 0.030 0.000 0.990 162 E CA -0.921 55.417 56.400 -0.105 0.000 0.856 162 E CB 1.639 31.296 29.700 -0.073 0.000 1.159 162 E HN 0.527 nan 8.360 nan 0.000 0.401 163 A N 2.268 125.135 122.820 0.079 0.000 2.520 163 A HA 0.148 4.468 4.320 0.001 0.000 0.235 163 A C -0.135 177.486 177.584 0.062 0.000 1.065 163 A CA 0.308 52.408 52.037 0.106 0.000 0.764 163 A CB -0.053 18.997 19.000 0.083 0.000 1.002 163 A HN 0.526 nan 8.150 nan 0.000 0.502 164 I N 1.663 122.272 120.570 0.064 0.000 2.378 164 I HA 0.460 4.630 4.170 0.001 0.000 0.291 164 I C 0.399 176.535 176.117 0.033 0.000 0.992 164 I CA -0.192 61.132 61.300 0.040 0.000 1.154 164 I CB 1.484 39.507 38.000 0.038 0.000 1.315 164 I HN 0.770 nan 8.210 nan 0.000 0.448 165 R N 4.465 124.980 120.500 0.025 0.000 2.502 165 R HA 0.554 4.894 4.340 0.001 0.000 0.298 165 R C -0.433 175.879 176.300 0.019 0.000 1.018 165 R CA -0.450 55.663 56.100 0.021 0.000 0.899 165 R CB 1.746 32.060 30.300 0.022 0.000 1.181 165 R HN 0.779 nan 8.270 nan 0.000 0.444 166 G N 1.147 109.958 108.800 0.019 0.000 2.528 166 G HA2 0.071 4.031 3.960 0.001 0.000 0.289 166 G HA3 0.071 4.031 3.960 0.001 0.000 0.289 166 G C 0.008 174.914 174.900 0.012 0.000 1.192 166 G CA -0.440 44.677 45.100 0.029 0.000 0.921 166 G HN 0.700 nan 8.290 nan 0.000 0.512 167 D N -0.777 119.652 120.400 0.048 0.000 2.183 167 D HA 0.057 4.697 4.640 0.001 0.000 0.205 167 D C -0.074 176.095 176.300 -0.218 0.000 0.962 167 D CA 1.218 55.219 54.000 0.002 0.000 0.849 167 D CB 0.205 41.117 40.800 0.187 0.000 0.978 167 D HN 0.169 nan 8.370 nan 0.000 0.488 168 F N -0.564 119.400 119.950 0.023 0.000 2.599 168 F HA 0.564 5.091 4.527 0.001 0.000 0.311 168 F C -0.451 175.353 175.800 0.007 0.000 1.076 168 F CA -1.220 56.791 58.000 0.019 0.000 0.937 168 F CB 1.983 40.986 39.000 0.005 0.000 1.282 168 F HN -0.303 nan 8.300 nan 0.000 0.460 169 A N 2.665 125.584 122.820 0.164 0.000 2.356 169 A HA 0.845 5.166 4.320 0.001 0.000 0.310 169 A C -1.660 175.993 177.584 0.115 0.000 1.075 169 A CA -0.610 51.487 52.037 0.099 0.000 0.746 169 A CB 1.057 20.079 19.000 0.037 0.000 1.221 169 A HN 0.724 nan 8.150 nan 0.000 0.443 170 L N 3.173 124.449 121.223 0.089 0.000 2.294 170 L HA 0.505 4.846 4.340 0.001 0.000 0.283 170 L C -0.918 176.000 176.870 0.080 0.000 1.015 170 L CA -0.753 54.130 54.840 0.072 0.000 0.831 170 L CB 1.358 43.440 42.059 0.039 0.000 1.217 170 L HN 0.418 nan 8.230 nan 0.000 0.420 171 V N 3.083 123.056 119.914 0.098 0.000 2.448 171 V HA 0.365 4.486 4.120 0.001 0.000 0.295 171 V C -0.016 176.180 176.094 0.169 0.000 1.025 171 V CA -0.780 61.608 62.300 0.147 0.000 0.859 171 V CB 2.095 34.020 31.823 0.171 0.000 0.988 171 V HN 0.556 nan 8.190 nan 0.000 0.431 172 K N 4.375 124.898 120.400 0.205 0.000 2.211 172 K HA 0.831 5.151 4.320 0.001 0.000 0.275 172 K C -0.472 176.299 176.600 0.284 0.000 1.024 172 K CA 0.058 56.469 56.287 0.207 0.000 0.887 172 K CB 1.289 33.898 32.500 0.182 0.000 1.084 172 K HN 0.850 nan 8.250 nan 0.000 0.463 173 A N 3.435 126.355 122.820 0.167 0.000 2.530 173 A HA 0.528 4.849 4.320 0.001 0.000 0.288 173 A C -0.499 177.133 177.584 0.081 0.000 1.172 173 A CA -0.749 51.302 52.037 0.022 0.000 0.733 173 A CB 0.134 18.916 19.000 -0.364 0.000 1.320 173 A HN 0.892 nan 8.150 nan 0.000 0.419 174 W N 0.631 121.818 121.300 -0.188 0.000 2.501 174 W HA 0.323 4.984 4.660 0.001 0.000 0.309 174 W C 0.043 176.522 176.519 -0.068 0.000 1.165 174 W CA 1.151 58.428 57.345 -0.113 0.000 1.381 174 W CB -0.027 29.386 29.460 -0.079 0.000 1.142 174 W HN 0.551 nan 8.180 nan 0.000 0.509 175 K N -0.585 119.803 120.400 -0.019 0.000 2.482 175 K HA 0.650 4.970 4.320 0.001 0.000 0.257 175 K C -1.382 175.280 176.600 0.103 0.000 0.969 175 K CA -0.737 55.511 56.287 -0.065 0.000 0.842 175 K CB 2.234 34.605 32.500 -0.215 0.000 1.359 175 K HN -0.156 nan 8.250 nan 0.000 0.441 176 A N 1.572 124.489 122.820 0.161 0.000 2.455 176 A HA 0.484 4.804 4.320 0.001 0.000 0.300 176 A C -1.384 176.294 177.584 0.157 0.000 1.040 176 A CA -0.844 51.334 52.037 0.234 0.000 0.697 176 A CB 0.970 20.059 19.000 0.149 0.000 1.265 176 A HN 0.807 nan 8.150 nan 0.000 0.407 177 D N 0.769 121.253 120.400 0.139 0.000 2.451 177 D HA 0.211 4.852 4.640 0.001 0.000 0.259 177 D C 0.547 176.930 176.300 0.139 0.000 1.201 177 D CA -0.348 53.606 54.000 -0.076 0.000 1.028 177 D CB 0.405 41.058 40.800 -0.244 0.000 1.095 177 D HN 0.472 nan 8.370 nan 0.000 0.539 178 Q N -0.844 118.959 119.800 0.005 0.000 2.482 178 Q HA 0.111 4.452 4.340 0.001 0.000 0.209 178 Q C 1.133 177.201 176.000 0.114 0.000 0.961 178 Q CA 0.558 56.312 55.803 -0.081 0.000 0.945 178 Q CB 0.099 28.670 28.738 -0.278 0.000 1.012 178 Q HN 0.600 nan 8.270 nan 0.000 0.515 179 A N -0.118 122.818 122.820 0.194 0.000 2.115 179 A HA 0.350 4.670 4.320 0.001 0.000 0.211 179 A C 1.529 179.280 177.584 0.278 0.000 1.169 179 A CA 0.900 53.054 52.037 0.195 0.000 0.787 179 A CB 0.283 19.346 19.000 0.106 0.000 0.858 179 A HN 0.402 nan 8.150 nan 0.000 0.474 180 G N -0.740 108.250 108.800 0.317 0.000 2.175 180 G HA2 -0.166 3.794 3.960 0.001 0.000 0.182 180 G HA3 -0.166 3.794 3.960 0.001 0.000 0.182 180 G C -0.341 174.642 174.900 0.139 0.000 1.003 180 G CA -0.110 45.091 45.100 0.169 0.000 0.666 180 G HN 0.368 nan 8.290 nan 0.000 0.506 181 N N 0.268 119.089 118.700 0.202 0.000 2.520 181 N HA 0.498 5.238 4.740 0.001 0.000 0.273 181 N C -0.064 175.563 175.510 0.196 0.000 1.155 181 N CA 0.228 53.397 53.050 0.198 0.000 0.967 181 N CB 2.098 40.766 38.487 0.301 0.000 1.092 181 N HN 0.147 nan 8.380 nan 0.000 0.457 182 V N 0.757 120.638 119.914 -0.054 0.000 2.823 182 V HA 0.598 4.718 4.120 0.001 0.000 0.312 182 V C 0.142 175.894 176.094 -0.570 0.000 1.072 182 V CA -0.672 61.481 62.300 -0.246 0.000 0.937 182 V CB 2.165 33.861 31.823 -0.212 0.000 1.013 182 V HN 0.881 nan 8.190 nan 0.000 0.430 183 T N 0.117 114.259 114.554 -0.686 0.000 2.896 183 T HA 0.809 5.160 4.350 0.001 0.000 0.297 183 T C -1.136 173.362 174.700 -0.337 0.000 1.108 183 T CA -0.543 61.227 62.100 -0.550 0.000 1.004 183 T CB 1.750 70.142 68.868 -0.794 0.000 1.159 183 T HN 0.170 nan 8.240 nan 0.000 0.499 184 F N 0.113 120.399 119.950 0.561 0.000 2.538 184 F HA 0.705 5.233 4.527 0.001 0.000 0.325 184 F C 0.677 176.590 175.800 0.188 0.000 1.066 184 F CA -1.256 56.903 58.000 0.265 0.000 0.946 184 F CB 1.937 40.962 39.000 0.043 0.000 1.199 184 F HN 0.509 nan 8.300 nan 0.000 0.473 185 R N 2.378 122.920 120.500 0.070 0.000 2.338 185 R HA 0.383 4.723 4.340 0.001 0.000 0.317 185 R C 0.004 175.985 176.300 -0.531 0.000 0.968 185 R CA -0.312 55.535 56.100 -0.421 0.000 0.849 185 R CB 0.735 30.395 30.300 -1.068 0.000 1.128 185 R HN 0.793 nan 8.270 nan 0.000 0.448 186 K N 0.428 120.350 120.400 -0.798 0.000 2.004 186 K HA -0.313 4.007 4.320 0.001 0.000 0.116 186 K C 0.787 176.631 176.600 -1.261 0.000 1.340 186 K CA 1.946 57.280 56.287 -1.589 0.000 0.509 186 K CB -1.261 30.661 32.500 -0.963 0.000 0.538 186 K HN 0.766 nan 8.250 nan 0.000 0.955 187 S N 0.387 115.613 115.700 -0.790 0.000 2.650 187 S HA 0.204 4.675 4.470 0.001 0.000 0.219 187 S C 1.589 176.034 174.600 -0.258 0.000 0.960 187 S CA 0.619 58.585 58.200 -0.390 0.000 0.925 187 S CB 0.343 63.413 63.200 -0.216 0.000 0.775 187 S HN 0.588 nan 8.310 nan 0.000 0.525 188 A N 2.097 124.769 122.820 -0.247 0.000 2.066 188 A HA 0.053 4.373 4.320 0.001 0.000 0.218 188 A C 2.233 179.783 177.584 -0.058 0.000 1.157 188 A CA 0.941 52.919 52.037 -0.099 0.000 0.670 188 A CB -0.606 18.335 19.000 -0.097 0.000 0.804 188 A HN 0.588 nan 8.150 nan 0.000 0.453 189 R N 0.712 121.118 120.500 -0.157 0.000 2.082 189 R HA -0.266 4.075 4.340 0.001 0.000 0.234 189 R C 1.790 177.876 176.300 -0.358 0.000 1.136 189 R CA 2.081 57.976 56.100 -0.342 0.000 0.935 189 R CB -0.581 29.482 30.300 -0.394 0.000 0.842 189 R HN 0.732 nan 8.270 nan 0.000 0.430 190 N N -0.720 117.813 118.700 -0.278 0.000 1.122 190 N HA -0.351 4.390 4.740 0.001 0.000 0.145 190 N C 0.982 176.295 175.510 -0.328 0.000 0.360 190 N CA 2.770 55.678 53.050 -0.237 0.000 1.017 190 N CB -1.514 36.989 38.487 0.027 0.000 1.540 190 N HN 0.266 nan 8.380 nan 0.000 0.447 191 F N 0.163 120.080 119.950 -0.055 0.000 2.743 191 F HA 0.268 4.795 4.527 0.001 0.000 0.297 191 F C 2.109 177.820 175.800 -0.147 0.000 1.131 191 F CA 0.056 58.015 58.000 -0.068 0.000 1.426 191 F CB -0.250 38.750 39.000 0.001 0.000 1.116 191 F HN 0.242 nan 8.300 nan 0.000 0.583 192 N N 0.752 119.401 118.700 -0.085 0.000 2.104 192 N HA -0.213 4.528 4.740 0.001 0.000 0.190 192 N C 2.099 177.426 175.510 -0.305 0.000 1.024 192 N CA 1.299 54.270 53.050 -0.132 0.000 0.853 192 N CB -0.528 37.930 38.487 -0.048 0.000 1.008 192 N HN 0.352 nan 8.380 nan 0.000 0.424 193 L N 2.001 122.799 121.223 -0.707 0.000 1.994 193 L HA -0.047 4.293 4.340 0.001 0.000 0.208 193 L C -0.740 175.983 176.870 -0.244 0.000 1.071 193 L CA 1.512 56.032 54.840 -0.533 0.000 0.745 193 L CB -1.165 40.543 42.059 -0.585 0.000 0.892 193 L HN 0.101 nan 8.230 nan 0.000 0.431 194 P HA -0.171 nan 4.420 nan 0.000 0.219 194 P C 1.742 178.983 177.300 -0.099 0.000 1.150 194 P CA 1.632 64.640 63.100 -0.154 0.000 0.814 194 P CB -0.075 31.551 31.700 -0.123 0.000 0.787 195 M N -0.931 118.649 119.600 -0.033 0.000 2.279 195 M HA -0.103 4.377 4.480 0.001 0.000 0.264 195 M C 2.322 178.600 176.300 -0.036 0.000 1.062 195 M CA 1.157 56.459 55.300 0.002 0.000 1.099 195 M CB -0.904 31.729 32.600 0.056 0.000 1.394 195 M HN 0.031 nan 8.290 nan 0.000 0.426 196 C N 0.953 120.219 119.300 -0.056 0.000 2.491 196 C HA -0.042 4.419 4.460 0.001 0.000 0.277 196 C C 1.958 176.839 174.990 -0.182 0.000 1.455 196 C CA 0.878 59.859 59.018 -0.062 0.000 1.758 196 C CB -0.994 26.777 27.740 0.051 0.000 1.745 196 C HN 0.408 nan 8.230 nan 0.000 0.558 197 K N -0.274 119.954 120.400 -0.286 0.000 2.374 197 K HA 0.287 4.607 4.320 0.001 0.000 0.202 197 K C 0.754 177.278 176.600 -0.128 0.000 1.040 197 K CA 0.413 56.448 56.287 -0.419 0.000 1.085 197 K CB 0.517 32.555 32.500 -0.769 0.000 0.873 197 K HN 0.281 nan 8.250 nan 0.000 0.539 198 A N 1.174 123.946 122.820 -0.080 0.000 2.643 198 A HA 0.616 4.936 4.320 0.001 0.000 0.295 198 A C -0.210 177.371 177.584 -0.005 0.000 1.065 198 A CA -0.336 51.687 52.037 -0.023 0.000 0.986 198 A CB 0.447 19.435 19.000 -0.020 0.000 1.212 198 A HN 0.154 nan 8.150 nan 0.000 0.516 199 A N -0.726 122.087 122.820 -0.011 0.000 2.498 199 A HA 0.662 4.982 4.320 0.001 0.000 0.298 199 A C 0.582 178.161 177.584 -0.009 0.000 1.075 199 A CA -0.004 52.019 52.037 -0.023 0.000 0.714 199 A CB 0.969 19.945 19.000 -0.040 0.000 1.299 199 A HN 0.128 nan 8.150 nan 0.000 0.407 200 E N 0.727 120.892 120.200 -0.059 0.000 2.085 200 E HA -0.079 4.271 4.350 0.001 0.000 0.194 200 E C 0.301 176.886 176.600 -0.026 0.000 0.994 200 E CA 2.392 58.757 56.400 -0.058 0.000 0.801 200 E CB 0.051 29.668 29.700 -0.138 0.000 0.743 200 E HN 0.567 nan 8.360 nan 0.000 0.453 201 T N 0.847 115.256 114.554 -0.243 0.000 2.864 201 T HA 0.358 4.708 4.350 0.001 0.000 0.299 201 T C -0.953 173.669 174.700 -0.131 0.000 1.011 201 T CA -0.320 61.693 62.100 -0.145 0.000 0.975 201 T CB 1.326 69.791 68.868 -0.671 0.000 0.962 201 T HN 0.189 nan 8.240 nan 0.000 0.448 202 T N 0.545 115.050 114.554 -0.082 0.000 2.799 202 T HA 0.690 5.040 4.350 0.001 0.000 0.286 202 T C -0.193 174.503 174.700 -0.005 0.000 0.973 202 T CA -0.714 61.313 62.100 -0.122 0.000 1.035 202 T CB 0.948 69.639 68.868 -0.295 0.000 0.932 202 T HN 0.261 nan 8.240 nan 0.000 0.469 203 V N 3.918 123.870 119.914 0.063 0.000 2.409 203 V HA 0.509 4.629 4.120 0.001 0.000 0.291 203 V C -0.285 175.831 176.094 0.036 0.000 1.020 203 V CA -0.809 61.522 62.300 0.052 0.000 0.848 203 V CB 1.570 33.438 31.823 0.076 0.000 0.990 203 V HN 0.900 nan 8.190 nan 0.000 0.430 204 V N 5.151 125.074 119.914 0.016 0.000 2.448 204 V HA 0.479 4.599 4.120 0.001 0.000 0.295 204 V C -0.039 176.083 176.094 0.047 0.000 1.025 204 V CA -0.690 61.634 62.300 0.040 0.000 0.859 204 V CB 1.846 33.682 31.823 0.021 0.000 0.988 204 V HN 1.043 nan 8.190 nan 0.000 0.431 205 E N 4.598 124.853 120.200 0.091 0.000 2.191 205 E HA 0.747 5.097 4.350 0.001 0.000 0.278 205 E C -0.841 175.862 176.600 0.172 0.000 0.972 205 E CA -0.750 55.731 56.400 0.135 0.000 0.804 205 E CB 2.248 32.047 29.700 0.164 0.000 1.110 205 E HN 0.496 nan 8.360 nan 0.000 0.394 206 V N -0.029 119.997 119.914 0.187 0.000 3.001 206 V HA 0.335 4.456 4.120 0.001 0.000 0.314 206 V C 0.564 176.789 176.094 0.219 0.000 1.099 206 V CA -0.842 61.553 62.300 0.159 0.000 0.989 206 V CB 1.696 33.579 31.823 0.101 0.000 1.040 206 V HN 0.865 nan 8.190 nan 0.000 0.434 207 E N 0.468 120.734 120.200 0.110 0.000 2.208 207 E HA 0.065 4.415 4.350 0.001 0.000 0.193 207 E C -0.078 176.616 176.600 0.157 0.000 0.988 207 E CA 0.952 57.413 56.400 0.101 0.000 0.828 207 E CB 0.248 29.921 29.700 -0.044 0.000 0.763 207 E HN 0.726 nan 8.360 nan 0.000 0.478 208 E N 0.051 120.311 120.200 0.099 0.000 2.321 208 E HA 0.347 4.697 4.350 0.001 0.000 0.278 208 E C -0.918 175.705 176.600 0.037 0.000 0.902 208 E CA -0.407 56.024 56.400 0.053 0.000 0.758 208 E CB 2.153 31.842 29.700 -0.018 0.000 1.213 208 E HN -0.004 nan 8.360 nan 0.000 0.426 209 I N 2.363 122.964 120.570 0.051 0.000 2.359 209 I HA 0.338 4.508 4.170 0.001 0.000 0.294 209 I C 0.393 176.490 176.117 -0.034 0.000 0.987 209 I CA -0.961 60.376 61.300 0.063 0.000 1.225 209 I CB 1.353 39.431 38.000 0.130 0.000 1.366 209 I HN 0.235 nan 8.210 nan 0.000 0.466 210 V N 2.282 122.136 119.914 -0.100 0.000 3.113 210 V HA 0.573 4.693 4.120 0.001 0.000 0.316 210 V C -0.353 175.609 176.094 -0.219 0.000 1.125 210 V CA -0.962 61.219 62.300 -0.198 0.000 1.026 210 V CB 1.905 33.528 31.823 -0.334 0.000 1.080 210 V HN 0.479 nan 8.190 nan 0.000 0.444 211 D N 0.932 121.197 120.400 -0.225 0.000 2.368 211 D HA 0.350 4.991 4.640 0.001 0.000 0.240 211 D C 0.268 176.420 176.300 -0.248 0.000 1.169 211 D CA 0.304 54.183 54.000 -0.202 0.000 0.906 211 D CB 1.019 41.720 40.800 -0.165 0.000 1.187 211 D HN 0.584 nan 8.370 nan 0.000 0.435 212 I N 0.539 121.005 120.570 -0.173 0.000 2.648 212 I HA 0.138 4.309 4.170 0.001 0.000 0.284 212 I C 1.650 177.675 176.117 -0.154 0.000 1.153 212 I CA 0.742 61.955 61.300 -0.144 0.000 1.426 212 I CB 0.566 38.520 38.000 -0.075 0.000 1.381 212 I HN 0.695 nan 8.210 nan 0.000 0.571 213 G N 3.363 112.069 108.800 -0.157 0.000 2.213 213 G HA2 -0.286 3.675 3.960 0.001 0.000 0.226 213 G HA3 -0.286 3.675 3.960 0.001 0.000 0.226 213 G C 1.021 175.812 174.900 -0.181 0.000 0.992 213 G CA 0.347 45.374 45.100 -0.121 0.000 0.632 213 G HN 0.553 nan 8.290 nan 0.000 0.511 214 S N -0.048 115.435 115.700 -0.362 0.000 2.419 214 S HA 0.193 4.664 4.470 0.001 0.000 0.235 214 S C 0.704 175.104 174.600 -0.334 0.000 1.019 214 S CA 1.049 58.970 58.200 -0.465 0.000 0.982 214 S CB -0.167 62.538 63.200 -0.825 0.000 0.789 214 S HN 0.433 nan 8.310 nan 0.000 0.490 215 F N 0.708 120.600 119.950 -0.097 0.000 2.470 215 F HA 0.679 5.206 4.527 0.001 0.000 0.329 215 F C 0.426 176.187 175.800 -0.064 0.000 1.072 215 F CA -2.348 55.592 58.000 -0.100 0.000 0.989 215 F CB 0.464 39.391 39.000 -0.120 0.000 1.193 215 F HN -0.121 nan 8.300 nan 0.000 0.481 216 A N 3.762 126.678 122.820 0.160 0.000 2.401 216 A HA 0.417 4.738 4.320 0.001 0.000 0.259 216 A C -1.559 176.074 177.584 0.081 0.000 1.103 216 A CA -1.198 50.889 52.037 0.083 0.000 0.789 216 A CB -0.041 18.994 19.000 0.058 0.000 1.035 216 A HN 0.568 nan 8.150 nan 0.000 0.491 217 P HA -0.174 nan 4.420 nan 0.000 0.218 217 P C 0.631 177.954 177.300 0.038 0.000 1.148 217 P CA 1.362 64.495 63.100 0.055 0.000 0.822 217 P CB 0.249 31.974 31.700 0.042 0.000 0.784 218 E N -0.233 119.987 120.200 0.034 0.000 2.268 218 E HA -0.101 4.249 4.350 0.001 0.000 0.195 218 E C 0.824 177.442 176.600 0.031 0.000 0.995 218 E CA 0.870 57.289 56.400 0.033 0.000 0.836 218 E CB -0.528 29.191 29.700 0.033 0.000 0.763 218 E HN 0.319 nan 8.360 nan 0.000 0.491 219 D N -0.126 120.279 120.400 0.009 0.000 2.525 219 D HA 0.129 4.769 4.640 0.001 0.000 0.229 219 D C -0.242 175.921 176.300 -0.227 0.000 1.202 219 D CA -0.041 53.938 54.000 -0.035 0.000 0.828 219 D CB 0.225 41.017 40.800 -0.014 0.000 1.008 219 D HN 0.176 nan 8.370 nan 0.000 0.493 220 I N 0.911 121.381 120.570 -0.166 0.000 2.337 220 I HA 0.047 4.218 4.170 0.001 0.000 0.291 220 I C 1.535 177.581 176.117 -0.117 0.000 1.046 220 I CA -0.237 60.892 61.300 -0.285 0.000 1.324 220 I CB 0.797 38.740 38.000 -0.094 0.000 1.409 220 I HN -0.001 nan 8.210 nan 0.000 0.494 221 H N 5.981 125.002 119.070 -0.082 0.000 2.326 221 H HA 0.102 4.659 4.556 0.001 0.000 0.301 221 H C 0.155 175.566 175.328 0.139 0.000 1.081 221 H CA 0.646 56.744 56.048 0.083 0.000 1.334 221 H CB 0.425 30.336 29.762 0.249 0.000 1.385 221 H HN 0.325 nan 8.280 nan 0.000 0.504 222 I N 1.664 122.370 120.570 0.226 0.000 2.420 222 I HA 0.223 4.393 4.170 0.001 0.000 0.282 222 I C -2.514 173.715 176.117 0.188 0.000 1.019 222 I CA -2.781 58.667 61.300 0.246 0.000 1.130 222 I CB 1.618 39.788 38.000 0.282 0.000 1.262 222 I HN -0.163 nan 8.210 nan 0.000 0.454 223 P HA 0.059 nan 4.420 nan 0.000 0.266 223 P C 0.827 178.196 177.300 0.115 0.000 1.195 223 P CA -0.191 62.988 63.100 0.133 0.000 0.768 223 P CB 0.534 32.284 31.700 0.083 0.000 0.838 224 K N 3.835 124.284 120.400 0.081 0.000 2.228 224 K HA -0.209 4.111 4.320 0.001 0.000 0.205 224 K C 1.618 178.249 176.600 0.053 0.000 1.045 224 K CA 1.630 57.965 56.287 0.080 0.000 0.931 224 K CB -0.922 31.631 32.500 0.088 0.000 0.727 224 K HN 0.370 nan 8.250 nan 0.000 0.458 225 I N 0.422 120.969 120.570 -0.038 0.000 2.423 225 I HA -0.264 3.907 4.170 0.001 0.000 0.254 225 I C 1.189 177.272 176.117 -0.056 0.000 1.151 225 I CA 1.245 62.478 61.300 -0.111 0.000 1.421 225 I CB 0.063 37.888 38.000 -0.292 0.000 1.079 225 I HN 0.141 nan 8.210 nan 0.000 0.431 226 Y N -0.204 120.130 120.300 0.057 0.000 2.500 226 Y HA 0.177 4.728 4.550 0.001 0.000 0.270 226 Y C 0.785 176.572 175.900 -0.188 0.000 1.134 226 Y CA -0.071 58.013 58.100 -0.028 0.000 1.293 226 Y CB -0.066 38.382 38.460 -0.020 0.000 1.063 226 Y HN -0.176 nan 8.280 nan 0.000 0.534 227 V N 1.212 121.177 119.914 0.084 0.000 2.304 227 V HA 0.085 4.206 4.120 0.001 0.000 0.262 227 V C 0.460 176.616 176.094 0.103 0.000 1.061 227 V CA -0.292 62.011 62.300 0.005 0.000 0.872 227 V CB 0.070 31.904 31.823 0.019 0.000 1.077 227 V HN 0.475 nan 8.190 nan 0.000 0.480 228 H N 3.359 122.443 119.070 0.023 0.000 2.343 228 H HA 0.223 4.779 4.556 0.001 0.000 0.303 228 H C 0.667 176.011 175.328 0.027 0.000 1.068 228 H CA 0.419 56.479 56.048 0.019 0.000 1.359 228 H CB 0.427 30.198 29.762 0.015 0.000 1.402 228 H HN 0.413 nan 8.280 nan 0.000 0.515 229 R N 0.907 121.490 120.500 0.138 0.000 2.561 229 R HA 0.438 4.779 4.340 0.001 0.000 0.297 229 R C -1.825 174.461 176.300 -0.024 0.000 0.969 229 R CA -0.923 55.250 56.100 0.122 0.000 0.879 229 R CB 2.776 33.117 30.300 0.068 0.000 1.178 229 R HN -0.017 nan 8.270 nan 0.000 0.445 230 L N 2.683 123.856 121.223 -0.084 0.000 2.410 230 L HA 0.625 4.966 4.340 0.001 0.000 0.270 230 L C -1.456 175.430 176.870 0.028 0.000 0.983 230 L CA -0.826 53.914 54.840 -0.166 0.000 0.822 230 L CB 2.177 43.898 42.059 -0.563 0.000 1.285 230 L HN 0.450 nan 8.230 nan 0.000 0.409 231 V N 4.666 124.623 119.914 0.072 0.000 2.925 231 V HA 0.537 4.657 4.120 0.001 0.000 0.311 231 V C -0.983 175.202 176.094 0.150 0.000 1.104 231 V CA -0.837 61.550 62.300 0.145 0.000 0.954 231 V CB 2.270 34.145 31.823 0.086 0.000 1.022 231 V HN 0.875 nan 8.190 nan 0.000 0.427 232 K N 4.286 124.789 120.400 0.171 0.000 2.267 232 K HA 0.553 4.873 4.320 0.001 0.000 0.282 232 K C 0.299 176.992 176.600 0.155 0.000 1.078 232 K CA -0.043 56.351 56.287 0.177 0.000 0.903 232 K CB 0.727 33.325 32.500 0.164 0.000 1.111 232 K HN 0.995 nan 8.250 nan 0.000 0.475 233 G N 3.363 112.286 108.800 0.205 0.000 2.265 233 G HA2 -0.084 3.876 3.960 0.001 0.000 0.240 233 G HA3 -0.084 3.876 3.960 0.001 0.000 0.240 233 G C 0.339 175.204 174.900 -0.059 0.000 1.270 233 G CA -0.175 44.946 45.100 0.035 0.000 0.901 233 G HN 0.885 nan 8.290 nan 0.000 0.507 234 E N 0.849 120.972 120.200 -0.129 0.000 2.112 234 E HA -0.023 4.327 4.350 0.001 0.000 0.190 234 E C 1.072 177.593 176.600 -0.131 0.000 0.979 234 E CA 0.804 57.155 56.400 -0.081 0.000 0.814 234 E CB 0.202 29.871 29.700 -0.050 0.000 0.762 234 E HN 0.494 nan 8.360 nan 0.000 0.460 235 K N -0.123 120.101 120.400 -0.293 0.000 2.427 235 K HA 0.251 4.571 4.320 0.001 0.000 0.252 235 K C -1.962 174.367 176.600 -0.452 0.000 0.931 235 K CA -0.506 55.645 56.287 -0.226 0.000 0.793 235 K CB 1.202 33.642 32.500 -0.101 0.000 1.211 235 K HN -0.172 nan 8.250 nan 0.000 0.426 236 Y N 2.241 122.600 120.300 0.099 0.000 2.327 236 Y HA 0.210 4.761 4.550 0.001 0.000 0.325 236 Y C 0.477 176.449 175.900 0.120 0.000 0.999 236 Y CA -0.645 57.529 58.100 0.123 0.000 1.195 236 Y CB 2.158 40.682 38.460 0.106 0.000 1.132 236 Y HN 0.717 nan 8.280 nan 0.000 0.455 237 E N 1.397 121.779 120.200 0.304 0.000 2.190 237 E HA -0.016 4.334 4.350 0.001 0.000 0.191 237 E C 0.045 176.707 176.600 0.103 0.000 0.978 237 E CA 0.123 56.613 56.400 0.151 0.000 0.839 237 E CB 0.212 29.945 29.700 0.056 0.000 0.787 237 E HN 0.420 nan 8.360 nan 0.000 0.473 238 K N 2.012 122.553 120.400 0.235 0.000 3.730 238 K HA -0.175 4.146 4.320 0.001 0.000 0.276 238 K C -0.824 175.789 176.600 0.022 0.000 0.904 238 K CA 0.234 56.624 56.287 0.171 0.000 0.741 238 K CB -0.617 31.950 32.500 0.112 0.000 1.542 238 K HN 0.032 nan 8.250 nan 0.000 0.446 239 R N 0.537 120.961 120.500 -0.127 0.000 2.734 239 R HA 0.176 4.517 4.340 0.001 0.000 0.266 239 R C 0.608 176.868 176.300 -0.066 0.000 1.044 239 R CA 0.065 56.011 56.100 -0.257 0.000 1.128 239 R CB 0.313 30.240 30.300 -0.622 0.000 1.010 239 R HN 0.337 nan 8.270 nan 0.000 0.461 240 I N 1.330 121.862 120.570 -0.064 0.000 2.389 240 I HA 0.077 4.248 4.170 0.001 0.000 0.288 240 I C 1.577 177.685 176.117 -0.015 0.000 0.999 240 I CA -0.191 61.100 61.300 -0.015 0.000 1.129 240 I CB 1.891 39.880 38.000 -0.019 0.000 1.288 240 I HN 0.644 nan 8.210 nan 0.000 0.444 241 E N 5.757 125.968 120.200 0.018 0.000 2.047 241 E HA 0.009 4.360 4.350 0.001 0.000 0.191 241 E C 0.241 176.847 176.600 0.009 0.000 0.987 241 E CA 1.028 57.441 56.400 0.022 0.000 0.799 241 E CB 0.465 30.196 29.700 0.052 0.000 0.752 241 E HN 0.468 nan 8.360 nan 0.000 0.449 242 R N 0.935 121.439 120.500 0.007 0.000 2.472 242 R HA 0.231 4.572 4.340 0.001 0.000 0.294 242 R C -1.350 174.923 176.300 -0.044 0.000 1.243 242 R CA -0.606 55.484 56.100 -0.017 0.000 1.023 242 R CB 1.335 31.631 30.300 -0.007 0.000 1.157 242 R HN 0.027 nan 8.270 nan 0.000 0.530 243 L N 2.359 123.549 121.223 -0.054 0.000 2.456 243 L HA 0.186 4.526 4.340 0.001 0.000 0.277 243 L C -0.564 176.228 176.870 -0.129 0.000 1.124 243 L CA 0.724 55.522 54.840 -0.069 0.000 0.880 243 L CB 0.917 42.944 42.059 -0.053 0.000 1.192 243 L HN 0.414 nan 8.230 nan 0.000 0.463 244 S N 4.386 119.970 115.700 -0.193 0.000 2.594 244 S HA 0.636 5.107 4.470 0.001 0.000 0.322 244 S C -0.595 173.846 174.600 -0.266 0.000 1.085 244 S CA -0.573 57.384 58.200 -0.406 0.000 1.116 244 S CB 1.129 63.801 63.200 -0.879 0.000 0.979 244 S HN 0.378 nan 8.310 nan 0.000 0.465 245 V N 4.588 124.405 119.914 -0.162 0.000 2.680 245 V HA 0.616 4.736 4.120 0.001 0.000 0.309 245 V C 0.048 176.143 176.094 0.003 0.000 1.052 245 V CA -1.105 61.172 62.300 -0.040 0.000 0.908 245 V CB 1.944 33.751 31.823 -0.027 0.000 1.001 245 V HN 0.866 nan 8.190 nan 0.000 0.431 246 R N 2.711 123.250 120.500 0.065 0.000 2.732 246 R HA 0.785 5.125 4.340 0.001 0.000 0.278 246 R C -1.052 175.268 176.300 0.034 0.000 0.976 246 R CA -1.003 55.139 56.100 0.069 0.000 0.963 246 R CB 1.961 32.327 30.300 0.109 0.000 1.150 246 R HN 0.621 nan 8.270 nan 0.000 0.478 247 K N 1.444 121.857 120.400 0.022 0.000 2.166 247 K HA 0.265 4.585 4.320 0.001 0.000 0.245 247 K C -0.498 176.107 176.600 0.008 0.000 0.967 247 K CA -0.926 55.368 56.287 0.012 0.000 0.863 247 K CB 1.736 34.240 32.500 0.007 0.000 1.107 247 K HN 0.542 nan 8.250 nan 0.000 0.436 260 D N -0.280 120.122 120.400 0.003 0.000 2.363 260 D HA 0.038 4.679 4.640 0.001 0.000 0.240 260 D C 1.260 177.540 176.300 -0.034 0.000 1.236 260 D CA 0.417 54.410 54.000 -0.012 0.000 0.927 260 D CB 0.833 41.623 40.800 -0.017 0.000 1.150 260 D HN 0.556 nan 8.370 nan 0.000 0.458 261 N N -0.335 118.337 118.700 -0.048 0.000 2.166 261 N HA -0.201 4.540 4.740 0.001 0.000 0.186 261 N C 1.634 177.056 175.510 -0.146 0.000 1.019 261 N CA 1.190 54.189 53.050 -0.084 0.000 0.856 261 N CB -0.341 38.099 38.487 -0.078 0.000 0.993 261 N HN 0.235 nan 8.380 nan 0.000 0.426 262 V N 0.692 120.525 119.914 -0.135 0.000 2.255 262 V HA -0.210 3.911 4.120 0.001 0.000 0.247 262 V C 2.669 178.678 176.094 -0.140 0.000 1.051 262 V CA 1.913 64.113 62.300 -0.167 0.000 1.018 262 V CB -0.587 31.170 31.823 -0.110 0.000 0.641 262 V HN 0.367 nan 8.190 nan 0.000 0.445 263 R N -0.548 119.903 120.500 -0.082 0.000 2.075 263 R HA -0.169 4.172 4.340 0.001 0.000 0.232 263 R C 2.421 178.683 176.300 -0.063 0.000 1.126 263 R CA 1.565 57.634 56.100 -0.051 0.000 0.963 263 R CB -0.364 29.928 30.300 -0.013 0.000 0.858 263 R HN 0.617 nan 8.270 nan 0.000 0.435 264 E N 1.037 121.195 120.200 -0.071 0.000 2.097 264 E HA -0.259 4.092 4.350 0.001 0.000 0.196 264 E C 1.936 178.449 176.600 -0.145 0.000 1.000 264 E CA 1.423 57.772 56.400 -0.085 0.000 0.804 264 E CB 0.094 29.753 29.700 -0.068 0.000 0.740 264 E HN 0.236 nan 8.360 nan 0.000 0.454 265 R N -0.059 120.330 120.500 -0.185 0.000 2.096 265 R HA -0.073 4.268 4.340 0.001 0.000 0.235 265 R C 2.482 178.687 176.300 -0.157 0.000 1.127 265 R CA 1.496 57.455 56.100 -0.235 0.000 0.968 265 R CB -0.178 29.816 30.300 -0.510 0.000 0.861 265 R HN 0.300 nan 8.270 nan 0.000 0.440 266 I N 0.115 120.608 120.570 -0.129 0.000 2.353 266 I HA -0.217 3.953 4.170 0.001 0.000 0.248 266 I C 2.042 178.127 176.117 -0.053 0.000 1.119 266 I CA 1.051 62.307 61.300 -0.073 0.000 1.417 266 I CB -0.147 37.824 38.000 -0.048 0.000 1.078 266 I HN 0.126 nan 8.210 nan 0.000 0.421 267 I N 0.915 121.450 120.570 -0.059 0.000 2.226 267 I HA -0.283 3.888 4.170 0.001 0.000 0.245 267 I C 2.343 178.395 176.117 -0.109 0.000 1.100 267 I CA 1.535 62.817 61.300 -0.030 0.000 1.374 267 I CB -0.309 37.692 38.000 0.002 0.000 1.057 267 I HN 0.155 nan 8.210 nan 0.000 0.413 268 K N 0.014 120.282 120.400 -0.221 0.000 2.283 268 K HA -0.160 4.161 4.320 0.001 0.000 0.202 268 K C 2.143 178.684 176.600 -0.099 0.000 1.048 268 K CA 0.672 56.801 56.287 -0.262 0.000 0.948 268 K CB -0.037 32.296 32.500 -0.277 0.000 0.742 268 K HN 0.075 nan 8.250 nan 0.000 0.458 269 R N 1.281 121.750 120.500 -0.053 0.000 2.112 269 R HA 0.105 4.445 4.340 0.001 0.000 0.216 269 R C 1.890 178.166 176.300 -0.041 0.000 1.080 269 R CA 1.293 57.381 56.100 -0.021 0.000 0.996 269 R CB -0.577 29.724 30.300 0.002 0.000 0.902 269 R HN 0.086 nan 8.270 nan 0.000 0.449 270 A N 0.680 123.471 122.820 -0.047 0.000 1.933 270 A HA -0.002 4.318 4.320 0.001 0.000 0.218 270 A C 2.313 179.827 177.584 -0.117 0.000 1.175 270 A CA 1.641 53.623 52.037 -0.092 0.000 0.628 270 A CB -1.003 17.969 19.000 -0.046 0.000 0.814 270 A HN 0.437 nan 8.150 nan 0.000 0.444 271 A N -0.157 122.692 122.820 0.049 0.000 2.032 271 A HA -0.091 4.229 4.320 0.001 0.000 0.221 271 A C 1.969 179.641 177.584 0.146 0.000 1.165 271 A CA 1.519 53.703 52.037 0.245 0.000 0.645 271 A CB -0.610 18.543 19.000 0.255 0.000 0.807 271 A HN 0.513 nan 8.150 nan 0.000 0.453 272 L N -0.560 120.670 121.223 0.012 0.000 2.552 272 L HA -0.051 4.289 4.340 0.001 0.000 0.227 272 L C 1.994 178.822 176.870 -0.070 0.000 1.146 272 L CA 0.340 55.179 54.840 -0.002 0.000 0.858 272 L CB -0.350 41.704 42.059 -0.008 0.000 0.969 272 L HN 0.304 nan 8.230 nan 0.000 0.451 273 E N 0.292 120.359 120.200 -0.220 0.000 2.208 273 E HA -0.026 4.324 4.350 0.001 0.000 0.193 273 E C 0.326 176.762 176.600 -0.273 0.000 0.988 273 E CA 0.411 56.639 56.400 -0.286 0.000 0.828 273 E CB 0.000 29.448 29.700 -0.421 0.000 0.763 273 E HN 0.232 nan 8.360 nan 0.000 0.478 274 F N 1.852 121.803 119.950 0.001 0.000 2.529 274 F HA 0.112 4.639 4.527 0.001 0.000 0.365 274 F C 1.028 176.813 175.800 -0.025 0.000 1.102 274 F CA 0.247 58.237 58.000 -0.016 0.000 1.271 274 F CB 0.437 39.425 39.000 -0.020 0.000 1.120 274 F HN -0.241 nan 8.300 nan 0.000 0.579 275 E N 0.361 120.649 120.200 0.148 0.000 2.359 275 E HA 0.228 4.579 4.350 0.001 0.000 0.266 275 E C -1.476 175.134 176.600 0.018 0.000 0.920 275 E CA -1.166 55.270 56.400 0.060 0.000 0.788 275 E CB 1.699 31.417 29.700 0.031 0.000 1.279 275 E HN 0.491 nan 8.360 nan 0.000 0.438 276 D N -0.447 119.945 120.400 -0.014 0.000 2.389 276 D HA 0.279 4.919 4.640 0.001 0.000 0.247 276 D C 0.861 177.109 176.300 -0.086 0.000 1.128 276 D CA 1.482 55.445 54.000 -0.062 0.000 0.884 276 D CB 0.589 41.362 40.800 -0.046 0.000 1.194 276 D HN 0.574 nan 8.370 nan 0.000 0.441 277 G N 3.165 111.867 108.800 -0.164 0.000 2.184 277 G HA2 -0.330 3.631 3.960 0.001 0.000 0.264 277 G HA3 -0.330 3.631 3.960 0.001 0.000 0.264 277 G C 0.526 175.253 174.900 -0.288 0.000 0.975 277 G CA 0.405 45.395 45.100 -0.184 0.000 0.642 277 G HN 0.642 nan 8.290 nan 0.000 0.536 278 M N 0.488 119.952 119.600 -0.226 0.000 2.245 278 M HA 0.537 5.018 4.480 0.001 0.000 0.344 278 M C -0.441 175.680 176.300 -0.299 0.000 1.170 278 M CA -0.125 55.083 55.300 -0.154 0.000 1.135 278 M CB 0.271 32.871 32.600 0.000 0.000 1.574 278 M HN 0.110 nan 8.290 nan 0.000 0.452 279 Y N 3.745 124.109 120.300 0.108 0.000 2.342 279 Y HA 0.636 5.187 4.550 0.001 0.000 0.338 279 Y C 0.031 175.991 175.900 0.101 0.000 0.965 279 Y CA -0.528 57.641 58.100 0.116 0.000 1.159 279 Y CB 1.253 39.768 38.460 0.091 0.000 1.157 279 Y HN 0.751 nan 8.280 nan 0.000 0.486 280 A N 3.471 126.420 122.820 0.215 0.000 2.435 280 A HA 0.584 4.904 4.320 0.001 0.000 0.304 280 A C -1.171 176.509 177.584 0.160 0.000 1.064 280 A CA -0.890 51.263 52.037 0.193 0.000 0.727 280 A CB 1.454 20.612 19.000 0.264 0.000 1.284 280 A HN 0.637 nan 8.150 nan 0.000 0.415 281 N N 1.828 120.610 118.700 0.136 0.000 2.392 281 N HA 0.548 5.289 4.740 0.001 0.000 0.283 281 N C -1.587 173.993 175.510 0.117 0.000 1.003 281 N CA -0.228 52.884 53.050 0.104 0.000 0.892 281 N CB 0.985 39.517 38.487 0.076 0.000 1.193 281 N HN 0.602 nan 8.380 nan 0.000 0.487 282 L N 2.131 123.419 121.223 0.109 0.000 2.333 282 L HA 0.526 4.867 4.340 0.001 0.000 0.280 282 L C 1.275 178.201 176.870 0.094 0.000 1.004 282 L CA -1.097 53.817 54.840 0.122 0.000 0.820 282 L CB 1.750 43.900 42.059 0.153 0.000 1.247 282 L HN 0.480 nan 8.230 nan 0.000 0.416 283 G N 2.448 111.305 108.800 0.094 0.000 2.634 283 G HA2 0.440 4.401 3.960 0.001 0.000 0.255 283 G HA3 0.440 4.401 3.960 0.001 0.000 0.255 283 G C 0.124 175.074 174.900 0.082 0.000 1.205 283 G CA -0.733 44.418 45.100 0.085 0.000 0.884 283 G HN 0.688 nan 8.290 nan 0.000 0.549 284 I N -1.072 119.542 120.570 0.074 0.000 2.993 284 I HA 0.517 4.688 4.170 0.001 0.000 0.286 284 I C 1.109 177.274 176.117 0.080 0.000 1.215 284 I CA 0.282 61.627 61.300 0.076 0.000 1.393 284 I CB 0.207 38.243 38.000 0.061 0.000 1.371 284 I HN 1.201 nan 8.210 nan 0.000 0.602 285 G N 3.912 112.764 108.800 0.087 0.000 2.554 285 G HA2 -0.288 3.672 3.960 0.001 0.000 0.253 285 G HA3 -0.288 3.672 3.960 0.001 0.000 0.253 285 G C 0.446 175.402 174.900 0.093 0.000 1.172 285 G CA 0.197 45.348 45.100 0.085 0.000 0.950 285 G HN 0.747 nan 8.290 nan 0.000 0.557 286 I N 2.776 123.396 120.570 0.084 0.000 2.151 286 I HA -0.141 4.030 4.170 0.001 0.000 0.243 286 I C 0.146 176.333 176.117 0.116 0.000 1.080 286 I CA 2.503 63.858 61.300 0.090 0.000 1.339 286 I CB -0.994 37.043 38.000 0.062 0.000 1.039 286 I HN 0.345 nan 8.210 nan 0.000 0.409 287 P HA -0.194 nan 4.420 nan 0.000 0.215 287 P C 1.800 179.209 177.300 0.182 0.000 1.157 287 P CA 1.192 64.379 63.100 0.146 0.000 0.868 287 P CB -0.010 31.759 31.700 0.117 0.000 0.788 288 L N -0.824 120.474 121.223 0.125 0.000 2.017 288 L HA -0.142 4.199 4.340 0.001 0.000 0.208 288 L C 2.206 179.122 176.870 0.077 0.000 1.073 288 L CA 1.783 56.672 54.840 0.081 0.000 0.745 288 L CB -1.494 40.599 42.059 0.057 0.000 0.894 288 L HN -0.131 nan 8.230 nan 0.000 0.432 289 L N -0.515 120.776 121.223 0.112 0.000 2.079 289 L HA -0.210 4.131 4.340 0.001 0.000 0.210 289 L C 2.633 179.640 176.870 0.229 0.000 1.081 289 L CA 1.235 56.157 54.840 0.137 0.000 0.752 289 L CB -0.915 41.244 42.059 0.167 0.000 0.896 289 L HN 0.395 nan 8.230 nan 0.000 0.433 290 A N -0.073 122.918 122.820 0.285 0.000 2.019 290 A HA -0.211 4.109 4.320 0.001 0.000 0.219 290 A C 2.493 180.321 177.584 0.405 0.000 1.164 290 A CA 1.757 54.047 52.037 0.422 0.000 0.644 290 A CB -0.639 18.580 19.000 0.365 0.000 0.805 290 A HN 0.541 nan 8.150 nan 0.000 0.449 291 S N 0.432 116.237 115.700 0.175 0.000 2.442 291 S HA -0.152 4.319 4.470 0.001 0.000 0.236 291 S C 1.481 175.968 174.600 -0.189 0.000 1.007 291 S CA 1.152 59.233 58.200 -0.199 0.000 0.965 291 S CB -0.644 62.403 63.200 -0.255 0.000 0.773 291 S HN 0.599 nan 8.310 nan 0.000 0.504 292 N N 0.830 119.452 118.700 -0.129 0.000 2.453 292 N HA 0.048 4.788 4.740 0.001 0.000 0.183 292 N C 0.042 175.256 175.510 -0.493 0.000 1.041 292 N CA 0.860 53.708 53.050 -0.337 0.000 0.900 292 N CB -0.326 37.898 38.487 -0.437 0.000 0.961 292 N HN 0.543 nan 8.380 nan 0.000 0.443 293 F N 0.607 120.550 119.950 -0.012 0.000 2.684 293 F HA 0.380 4.908 4.527 0.001 0.000 0.298 293 F C 0.703 176.507 175.800 0.007 0.000 1.120 293 F CA -0.418 57.590 58.000 0.013 0.000 1.332 293 F CB 0.110 39.144 39.000 0.055 0.000 0.986 293 F HN -0.199 nan 8.300 nan 0.000 0.524 294 I N 0.172 120.748 120.570 0.010 0.000 2.529 294 I HA 0.016 4.186 4.170 0.001 0.000 0.284 294 I C 1.011 177.105 176.117 -0.037 0.000 1.082 294 I CA -0.325 60.948 61.300 -0.046 0.000 1.406 294 I CB 0.932 38.765 38.000 -0.279 0.000 1.405 294 I HN -0.018 nan 8.210 nan 0.000 0.548 295 S N 7.340 123.040 115.700 0.001 0.000 2.549 295 S HA 0.109 4.579 4.470 0.001 0.000 0.286 295 S C -1.497 173.073 174.600 -0.049 0.000 1.314 295 S CA -0.939 57.256 58.200 -0.008 0.000 1.062 295 S CB 0.789 63.994 63.200 0.008 0.000 0.865 295 S HN 0.375 nan 8.310 nan 0.000 0.498 296 P HA -0.004 nan 4.420 nan 0.000 0.225 296 P C 0.479 177.744 177.300 -0.057 0.000 1.148 296 P CA 1.063 64.126 63.100 -0.063 0.000 0.779 296 P CB -0.048 31.623 31.700 -0.049 0.000 0.780 297 N N -1.573 117.102 118.700 -0.042 0.000 2.354 297 N HA -0.003 4.737 4.740 0.001 0.000 0.179 297 N C 0.826 176.306 175.510 -0.050 0.000 1.021 297 N CA 0.117 53.145 53.050 -0.038 0.000 0.887 297 N CB -0.090 38.383 38.487 -0.022 0.000 0.974 297 N HN 0.190 nan 8.380 nan 0.000 0.437 298 M N 1.145 120.709 119.600 -0.061 0.000 2.233 298 M HA 0.134 4.614 4.480 0.001 0.000 0.355 298 M C -0.937 175.281 176.300 -0.138 0.000 1.191 298 M CA 0.080 55.333 55.300 -0.079 0.000 1.101 298 M CB 1.121 33.690 32.600 -0.052 0.000 1.592 298 M HN -0.178 nan 8.290 nan 0.000 0.461 299 T N 4.454 118.905 114.554 -0.172 0.000 2.756 299 T HA 0.518 4.869 4.350 0.001 0.000 0.290 299 T C -0.895 173.559 174.700 -0.410 0.000 0.985 299 T CA -0.506 61.422 62.100 -0.288 0.000 0.955 299 T CB 0.597 69.293 68.868 -0.286 0.000 0.930 299 T HN 0.469 nan 8.240 nan 0.000 0.451 300 V N 5.147 124.791 119.914 -0.450 0.000 2.444 300 V HA 0.339 4.459 4.120 0.001 0.000 0.294 300 V C -0.409 175.391 176.094 -0.489 0.000 1.022 300 V CA -1.036 61.008 62.300 -0.426 0.000 0.850 300 V CB 1.346 32.960 31.823 -0.349 0.000 0.992 300 V HN 0.808 nan 8.190 nan 0.000 0.426 301 H N 5.361 124.304 119.070 -0.211 0.000 2.594 301 H HA 0.455 5.011 4.556 0.001 0.000 0.304 301 H C -0.397 174.923 175.328 -0.013 0.000 1.068 301 H CA -0.306 55.672 56.048 -0.116 0.000 1.308 301 H CB 1.396 31.089 29.762 -0.115 0.000 1.409 301 H HN 0.453 nan 8.280 nan 0.000 0.460 302 L N 3.236 124.503 121.223 0.074 0.000 2.265 302 L HA 0.212 4.552 4.340 0.001 0.000 0.288 302 L C 0.739 177.654 176.870 0.074 0.000 1.058 302 L CA -0.314 54.557 54.840 0.051 0.000 0.809 302 L CB 1.064 43.106 42.059 -0.028 0.000 1.179 302 L HN 0.395 nan 8.230 nan 0.000 0.429 303 Q N 2.251 122.105 119.800 0.090 0.000 2.256 303 Q HA 0.332 4.673 4.340 0.001 0.000 0.257 303 Q C -1.147 174.859 176.000 0.010 0.000 0.936 303 Q CA -0.156 55.691 55.803 0.074 0.000 0.903 303 Q CB 2.186 30.979 28.738 0.090 0.000 1.263 303 Q HN 0.583 nan 8.270 nan 0.000 0.440 304 S N 2.127 117.802 115.700 -0.042 0.000 2.478 304 S HA 0.133 4.604 4.470 0.001 0.000 0.312 304 S C 0.863 175.358 174.600 -0.175 0.000 1.094 304 S CA -0.582 57.554 58.200 -0.108 0.000 1.081 304 S CB 0.788 63.895 63.200 -0.155 0.000 1.007 304 S HN 0.660 nan 8.310 nan 0.000 0.475 305 E N 3.705 123.797 120.200 -0.179 0.000 2.265 305 E HA -0.170 4.180 4.350 0.001 0.000 0.196 305 E C 0.741 177.163 176.600 -0.297 0.000 0.996 305 E CA 0.806 57.025 56.400 -0.302 0.000 0.832 305 E CB -0.514 29.105 29.700 -0.135 0.000 0.756 305 E HN 0.744 nan 8.360 nan 0.000 0.491 306 N N 1.399 119.817 118.700 -0.469 0.000 2.627 306 N HA -0.026 4.714 4.740 0.001 0.000 0.196 306 N C 0.854 176.062 175.510 -0.503 0.000 1.268 306 N CA 0.961 53.562 53.050 -0.748 0.000 0.904 306 N CB 0.018 37.438 38.487 -1.777 0.000 1.016 306 N HN 0.327 nan 8.380 nan 0.000 0.448 307 G N 0.057 108.587 108.800 -0.450 0.000 2.288 307 G HA2 -0.147 3.814 3.960 0.001 0.000 0.205 307 G HA3 -0.147 3.814 3.960 0.001 0.000 0.205 307 G C -0.564 173.665 174.900 -1.117 0.000 1.071 307 G CA -0.251 44.427 45.100 -0.703 0.000 0.788 307 G HN 0.371 nan 8.290 nan 0.000 0.491 308 I N -0.450 119.660 120.570 -0.766 0.000 2.647 308 I HA 0.691 4.862 4.170 0.001 0.000 0.295 308 I C -0.587 175.392 176.117 -0.230 0.000 1.078 308 I CA -1.371 59.582 61.300 -0.577 0.000 1.048 308 I CB 2.151 39.986 38.000 -0.276 0.000 1.239 308 I HN 0.080 nan 8.210 nan 0.000 0.421 309 L N 4.982 126.126 121.223 -0.131 0.000 2.372 309 L HA 0.828 5.169 4.340 0.001 0.000 0.274 309 L C 0.148 176.993 176.870 -0.042 0.000 0.988 309 L CA 0.193 55.079 54.840 0.076 0.000 0.833 309 L CB 1.479 43.668 42.059 0.218 0.000 1.236 309 L HN 0.814 nan 8.230 nan 0.000 0.410 310 G N 4.617 113.419 108.800 0.004 0.000 2.327 310 G HA2 -0.128 3.833 3.960 0.001 0.000 0.159 310 G HA3 -0.128 3.833 3.960 0.001 0.000 0.159 310 G C -0.238 174.630 174.900 -0.054 0.000 1.056 310 G CA -0.241 44.861 45.100 0.003 0.000 0.751 310 G HN 0.639 nan 8.290 nan 0.000 0.488 311 L N 0.216 121.405 121.223 -0.057 0.000 2.506 311 L HA 0.454 4.794 4.340 0.001 0.000 0.281 311 L C 1.460 178.277 176.870 -0.089 0.000 1.228 311 L CA 0.915 55.709 54.840 -0.076 0.000 0.850 311 L CB 0.505 42.519 42.059 -0.075 0.000 1.110 311 L HN 0.384 nan 8.230 nan 0.000 0.496 312 G N 2.207 110.951 108.800 -0.094 0.000 3.075 312 G HA2 0.643 4.603 3.960 0.001 0.000 0.253 312 G HA3 0.643 4.603 3.960 0.001 0.000 0.253 312 G C -2.710 172.097 174.900 -0.156 0.000 1.353 312 G CA -0.856 44.178 45.100 -0.109 0.000 1.051 312 G HN 0.426 nan 8.290 nan 0.000 0.553 313 P HA 0.167 nan 4.420 nan 0.000 0.275 313 P C -0.889 176.308 177.300 -0.171 0.000 1.266 313 P CA -0.327 62.627 63.100 -0.244 0.000 0.793 313 P CB 0.559 32.165 31.700 -0.157 0.000 1.074 314 Y N 0.071 120.352 120.300 -0.031 0.000 2.550 314 Y HA 0.090 4.641 4.550 0.001 0.000 0.343 314 Y C -1.207 174.681 175.900 -0.020 0.000 1.245 314 Y CA -1.803 56.284 58.100 -0.021 0.000 1.462 314 Y CB -1.282 37.167 38.460 -0.017 0.000 1.340 314 Y HN 0.316 nan 8.280 nan 0.000 0.604 315 P HA 0.092 nan 4.420 nan 0.000 0.272 315 P C -0.394 176.945 177.300 0.064 0.000 1.230 315 P CA -0.109 63.040 63.100 0.081 0.000 0.788 315 P CB 1.093 32.828 31.700 0.059 0.000 0.949 316 L N 1.257 122.502 121.223 0.037 0.000 2.475 316 L HA 0.079 4.419 4.340 0.001 0.000 0.253 316 L C 2.366 179.246 176.870 0.017 0.000 1.198 316 L CA -0.235 54.620 54.840 0.024 0.000 0.814 316 L CB 0.073 42.141 42.059 0.015 0.000 1.134 316 L HN 0.370 nan 8.230 nan 0.000 0.478 317 Q N 1.405 121.211 119.800 0.009 0.000 2.133 317 Q HA -0.243 4.098 4.340 0.001 0.000 0.208 317 Q C 1.614 177.616 176.000 0.004 0.000 0.991 317 Q CA 2.355 58.160 55.803 0.003 0.000 0.867 317 Q CB -0.176 28.563 28.738 0.001 0.000 0.911 317 Q HN 0.710 nan 8.270 nan 0.000 0.417 318 N N -0.614 118.090 118.700 0.006 0.000 2.515 318 N HA -0.127 4.613 4.740 0.001 0.000 0.185 318 N C 0.407 175.921 175.510 0.006 0.000 1.109 318 N CA 0.934 53.988 53.050 0.006 0.000 0.903 318 N CB 0.007 38.498 38.487 0.006 0.000 0.969 318 N HN 0.478 nan 8.380 nan 0.000 0.450 319 E N 0.415 120.620 120.200 0.009 0.000 2.481 319 E HA 0.132 4.483 4.350 0.001 0.000 0.198 319 E C -0.126 176.478 176.600 0.008 0.000 1.027 319 E CA -0.257 56.149 56.400 0.009 0.000 0.900 319 E CB 0.853 30.562 29.700 0.016 0.000 0.993 319 E HN 0.058 nan 8.360 nan 0.000 0.482 320 V N 2.894 122.812 119.914 0.006 0.000 2.557 320 V HA -0.050 4.070 4.120 0.001 0.000 0.301 320 V C 0.057 176.148 176.094 -0.006 0.000 1.026 320 V CA 0.759 63.061 62.300 0.003 0.000 1.137 320 V CB 0.362 32.184 31.823 -0.002 0.000 0.917 320 V HN 0.139 nan 8.190 nan 0.000 0.484 321 D N 3.757 124.151 120.400 -0.009 0.000 2.616 321 D HA 0.442 5.082 4.640 0.001 0.000 0.238 321 D C 0.587 176.872 176.300 -0.025 0.000 1.354 321 D CA -0.055 53.927 54.000 -0.029 0.000 0.970 321 D CB 1.983 42.753 40.800 -0.051 0.000 1.369 321 D HN 0.493 nan 8.370 nan 0.000 0.585 322 A N 3.228 126.037 122.820 -0.019 0.000 2.139 322 A HA -0.172 4.148 4.320 0.001 0.000 0.221 322 A C 1.342 178.918 177.584 -0.013 0.000 1.159 322 A CA 1.231 53.269 52.037 0.002 0.000 0.662 322 A CB 0.011 19.023 19.000 0.020 0.000 0.796 322 A HN 0.484 nan 8.150 nan 0.000 0.463 323 D N -1.607 118.749 120.400 -0.072 0.000 2.340 323 D HA 0.153 4.793 4.640 0.001 0.000 0.220 323 D C -0.224 175.990 176.300 -0.143 0.000 1.039 323 D CA 0.402 54.324 54.000 -0.130 0.000 0.866 323 D CB 0.341 40.995 40.800 -0.244 0.000 0.913 323 D HN 0.319 nan 8.370 nan 0.000 0.523 324 L N 1.731 122.906 121.223 -0.080 0.000 2.388 324 L HA 0.395 4.735 4.340 0.001 0.000 0.267 324 L C -0.822 176.052 176.870 0.007 0.000 0.995 324 L CA -0.745 54.067 54.840 -0.047 0.000 0.864 324 L CB 0.601 42.648 42.059 -0.020 0.000 1.216 324 L HN -0.093 nan 8.230 nan 0.000 0.430 325 I N 1.181 121.759 120.570 0.014 0.000 2.969 325 I HA 0.713 4.883 4.170 0.001 0.000 0.307 325 I C -0.544 175.590 176.117 0.029 0.000 1.149 325 I CA -0.949 60.387 61.300 0.060 0.000 1.008 325 I CB 2.116 40.187 38.000 0.118 0.000 1.232 325 I HN 0.554 nan 8.210 nan 0.000 0.435 326 N N 2.860 121.601 118.700 0.069 0.000 2.418 326 N HA 0.402 5.142 4.740 0.001 0.000 0.283 326 N C 0.823 176.371 175.510 0.063 0.000 1.267 326 N CA -0.093 52.974 53.050 0.028 0.000 0.975 326 N CB 0.460 38.984 38.487 0.061 0.000 1.167 326 N HN 0.813 nan 8.380 nan 0.000 0.581 327 A N -1.168 121.678 122.820 0.043 0.000 2.070 327 A HA 0.078 4.398 4.320 0.001 0.000 0.220 327 A C 1.834 179.571 177.584 0.255 0.000 1.159 327 A CA 1.413 53.561 52.037 0.185 0.000 0.656 327 A CB -1.485 17.587 19.000 0.121 0.000 0.800 327 A HN 0.801 nan 8.150 nan 0.000 0.453 328 G N -1.272 107.616 108.800 0.147 0.000 2.848 328 G HA2 0.171 4.132 3.960 0.001 0.000 0.208 328 G HA3 0.171 4.132 3.960 0.001 0.000 0.208 328 G C 0.678 175.650 174.900 0.120 0.000 1.152 328 G CA 0.452 45.612 45.100 0.100 0.000 0.789 328 G HN 0.537 nan 8.290 nan 0.000 0.531 329 K N -0.578 119.944 120.400 0.203 0.000 3.230 329 K HA -0.164 4.156 4.320 0.001 0.000 0.285 329 K C -0.283 176.394 176.600 0.128 0.000 1.196 329 K CA 0.885 57.291 56.287 0.198 0.000 0.838 329 K CB -1.176 31.404 32.500 0.134 0.000 1.262 329 K HN 0.559 nan 8.250 nan 0.000 0.492 330 E N 1.094 121.370 120.200 0.128 0.000 2.204 330 E HA 0.155 4.506 4.350 0.001 0.000 0.276 330 E C 0.278 176.943 176.600 0.109 0.000 0.974 330 E CA -0.507 55.947 56.400 0.089 0.000 0.815 330 E CB 1.088 30.859 29.700 0.120 0.000 1.119 330 E HN 0.207 nan 8.360 nan 0.000 0.393 331 T N -0.595 113.996 114.554 0.061 0.000 2.902 331 T HA 0.259 4.609 4.350 0.001 0.000 0.301 331 T C 0.414 175.209 174.700 0.158 0.000 1.012 331 T CA -0.668 61.476 62.100 0.073 0.000 1.151 331 T CB 0.152 69.039 68.868 0.031 0.000 0.946 331 T HN 0.222 nan 8.240 nan 0.000 0.542 332 V N 0.968 120.958 119.914 0.126 0.000 3.119 332 V HA 0.934 5.054 4.120 0.001 0.000 0.309 332 V C 0.405 176.539 176.094 0.065 0.000 1.304 332 V CA -0.769 61.606 62.300 0.125 0.000 1.057 332 V CB 1.414 33.273 31.823 0.060 0.000 1.150 332 V HN 1.288 nan 8.190 nan 0.000 0.474 333 T N -1.467 113.104 114.554 0.029 0.000 2.812 333 T HA 0.852 5.202 4.350 0.001 0.000 0.294 333 T C -0.784 173.909 174.700 -0.012 0.000 1.159 333 T CA -0.281 61.827 62.100 0.014 0.000 1.008 333 T CB 1.637 70.506 68.868 0.002 0.000 1.289 333 T HN 1.724 nan 8.240 nan 0.000 0.514 334 V N -0.855 119.048 119.914 -0.019 0.000 3.001 334 V HA 0.796 4.916 4.120 0.001 0.000 0.314 334 V C -0.361 175.700 176.094 -0.055 0.000 1.099 334 V CA -1.332 60.931 62.300 -0.062 0.000 0.989 334 V CB 1.156 32.905 31.823 -0.124 0.000 1.040 334 V HN 1.027 nan 8.190 nan 0.000 0.434 335 L N 0.916 122.105 121.223 -0.058 0.000 2.569 335 L HA 0.578 4.918 4.340 0.001 0.000 0.247 335 L C -2.124 174.725 176.870 -0.035 0.000 1.135 335 L CA -1.890 52.926 54.840 -0.040 0.000 0.812 335 L CB 0.829 42.869 42.059 -0.031 0.000 1.431 335 L HN 0.447 nan 8.230 nan 0.000 0.499 336 P HA 0.103 nan 4.420 nan 0.000 0.269 336 P C 0.383 177.672 177.300 -0.018 0.000 1.209 336 P CA 0.508 63.599 63.100 -0.016 0.000 0.776 336 P CB 0.570 32.266 31.700 -0.005 0.000 0.876 337 G N 0.611 109.393 108.800 -0.030 0.000 2.155 337 G HA2 -0.160 3.800 3.960 0.001 0.000 0.257 337 G HA3 -0.160 3.800 3.960 0.001 0.000 0.257 337 G C 0.485 175.335 174.900 -0.082 0.000 0.983 337 G CA 0.064 45.137 45.100 -0.044 0.000 0.676 337 G HN 0.838 nan 8.290 nan 0.000 0.528 338 A N -0.378 122.376 122.820 -0.111 0.000 2.313 338 A HA 0.849 5.170 4.320 0.001 0.000 0.261 338 A C 0.792 178.226 177.584 -0.249 0.000 1.090 338 A CA 0.931 52.856 52.037 -0.188 0.000 0.807 338 A CB 0.670 19.514 19.000 -0.261 0.000 1.055 338 A HN 1.967 nan 8.150 nan 0.000 0.492 339 S N -1.068 114.454 115.700 -0.296 0.000 2.595 339 S HA 0.761 5.231 4.470 0.001 0.000 0.281 339 S C -1.409 172.885 174.600 -0.509 0.000 1.117 339 S CA -0.625 57.433 58.200 -0.236 0.000 0.873 339 S CB 0.956 64.184 63.200 0.048 0.000 1.108 339 S HN 0.523 nan 8.310 nan 0.000 0.477 340 Y N 0.733 120.914 120.300 -0.198 0.000 2.446 340 Y HA 0.799 5.350 4.550 0.001 0.000 0.345 340 Y C -0.411 175.214 175.900 -0.459 0.000 0.984 340 Y CA -1.145 56.634 58.100 -0.535 0.000 1.058 340 Y CB 1.606 39.860 38.460 -0.344 0.000 1.220 340 Y HN 0.864 nan 8.280 nan 0.000 0.455 341 F N -1.962 117.956 119.950 -0.054 0.000 2.745 341 F HA 0.739 5.266 4.527 0.001 0.000 0.316 341 F C -0.244 175.428 175.800 -0.213 0.000 1.155 341 F CA -1.723 56.185 58.000 -0.153 0.000 0.937 341 F CB 0.379 39.281 39.000 -0.165 0.000 1.361 341 F HN 0.341 nan 8.300 nan 0.000 0.472 342 S N -0.279 115.390 115.700 -0.050 0.000 2.626 342 S HA 0.258 4.728 4.470 0.001 0.000 0.257 342 S C 0.689 175.171 174.600 -0.197 0.000 1.288 342 S CA 0.033 58.102 58.200 -0.217 0.000 0.980 342 S CB 0.973 64.028 63.200 -0.242 0.000 0.975 342 S HN 0.661 nan 8.310 nan 0.000 0.577 343 S N 1.368 116.829 115.700 -0.399 0.000 2.387 343 S HA -0.105 4.366 4.470 0.001 0.000 0.226 343 S C 1.726 176.222 174.600 -0.174 0.000 1.026 343 S CA 1.114 59.049 58.200 -0.441 0.000 0.972 343 S CB -0.645 61.765 63.200 -1.316 0.000 0.814 343 S HN 0.907 nan 8.310 nan 0.000 0.477 344 D N 1.339 121.617 120.400 -0.204 0.000 2.178 344 D HA -0.150 4.490 4.640 0.001 0.000 0.202 344 D C 1.740 178.014 176.300 -0.044 0.000 0.974 344 D CA 0.977 54.932 54.000 -0.075 0.000 0.841 344 D CB -0.289 40.443 40.800 -0.114 0.000 0.953 344 D HN 0.317 nan 8.370 nan 0.000 0.478 345 E N 1.168 121.330 120.200 -0.064 0.000 2.072 345 E HA -0.124 4.227 4.350 0.001 0.000 0.190 345 E C 2.070 178.578 176.600 -0.153 0.000 0.982 345 E CA 1.242 57.578 56.400 -0.107 0.000 0.803 345 E CB -0.447 29.204 29.700 -0.081 0.000 0.755 345 E HN 0.133 nan 8.360 nan 0.000 0.453 346 S N -1.123 114.574 115.700 -0.005 0.000 2.370 346 S HA -0.139 4.332 4.470 0.001 0.000 0.226 346 S C 1.646 176.052 174.600 -0.323 0.000 1.033 346 S CA 1.294 59.438 58.200 -0.094 0.000 1.011 346 S CB -0.458 62.699 63.200 -0.072 0.000 0.852 346 S HN 0.351 nan 8.310 nan 0.000 0.457 347 F N 1.378 121.312 119.950 -0.027 0.000 2.512 347 F HA 0.361 4.888 4.527 0.001 0.000 0.296 347 F C 2.368 178.159 175.800 -0.015 0.000 1.110 347 F CA 0.382 58.380 58.000 -0.003 0.000 1.446 347 F CB -0.578 38.433 39.000 0.018 0.000 1.092 347 F HN 0.276 nan 8.300 nan 0.000 0.554 348 A N -0.197 122.651 122.820 0.047 0.000 1.930 348 A HA -0.193 4.127 4.320 0.001 0.000 0.217 348 A C 2.258 179.844 177.584 0.003 0.000 1.175 348 A CA 1.460 53.500 52.037 0.005 0.000 0.627 348 A CB -0.674 18.280 19.000 -0.076 0.000 0.815 348 A HN 0.387 nan 8.150 nan 0.000 0.443 349 M N -0.794 118.733 119.600 -0.121 0.000 2.175 349 M HA -0.070 4.410 4.480 0.001 0.000 0.264 349 M C 1.802 178.119 176.300 0.027 0.000 1.063 349 M CA 1.661 56.876 55.300 -0.143 0.000 1.119 349 M CB -0.220 32.144 32.600 -0.393 0.000 1.377 349 M HN 0.430 nan 8.290 nan 0.000 0.415 350 I N -0.549 120.009 120.570 -0.019 0.000 2.277 350 I HA -0.215 3.956 4.170 0.001 0.000 0.243 350 I C 2.412 178.593 176.117 0.107 0.000 1.094 350 I CA 0.926 62.245 61.300 0.032 0.000 1.393 350 I CB -0.303 37.685 38.000 -0.020 0.000 1.078 350 I HN 0.215 nan 8.210 nan 0.000 0.417 351 R N 0.586 121.180 120.500 0.157 0.000 2.115 351 R HA -0.077 4.263 4.340 0.001 0.000 0.230 351 R C 2.173 178.539 176.300 0.110 0.000 1.111 351 R CA 1.285 57.480 56.100 0.158 0.000 0.976 351 R CB -0.617 29.800 30.300 0.196 0.000 0.870 351 R HN 0.403 nan 8.270 nan 0.000 0.445 352 G N -0.264 108.601 108.800 0.109 0.000 2.708 352 G HA2 -0.000 3.960 3.960 0.001 0.000 0.210 352 G HA3 -0.000 3.960 3.960 0.001 0.000 0.210 352 G C 0.883 175.645 174.900 -0.230 0.000 1.141 352 G CA 0.544 45.656 45.100 0.021 0.000 0.788 352 G HN 0.487 nan 8.290 nan 0.000 0.531 353 G N -0.414 108.319 108.800 -0.112 0.000 2.147 353 G HA2 -0.284 3.676 3.960 0.001 0.000 0.244 353 G HA3 -0.284 3.676 3.960 0.001 0.000 0.244 353 G C 0.864 175.633 174.900 -0.219 0.000 1.005 353 G CA 0.544 45.560 45.100 -0.140 0.000 0.713 353 G HN 0.601 nan 8.290 nan 0.000 0.515 354 H N -0.994 118.043 119.070 -0.055 0.000 2.502 354 H HA 0.122 4.678 4.556 0.001 0.000 0.283 354 H C 1.547 176.823 175.328 -0.085 0.000 1.015 354 H CA 1.094 57.077 56.048 -0.108 0.000 1.298 354 H CB 0.293 29.939 29.762 -0.194 0.000 1.411 354 H HN 0.337 nan 8.280 nan 0.000 0.556 355 V N 2.641 122.592 119.914 0.063 0.000 2.555 355 V HA -0.045 4.076 4.120 0.001 0.000 0.286 355 V C 0.803 176.969 176.094 0.121 0.000 1.044 355 V CA 0.123 62.489 62.300 0.109 0.000 1.026 355 V CB 1.148 33.025 31.823 0.089 0.000 0.981 355 V HN 0.406 nan 8.190 nan 0.000 0.480 356 N N 3.337 122.150 118.700 0.188 0.000 2.171 356 N HA 0.050 4.791 4.740 0.001 0.000 0.184 356 N C 0.041 175.607 175.510 0.094 0.000 1.021 356 N CA 0.498 53.630 53.050 0.135 0.000 0.854 356 N CB 0.164 38.744 38.487 0.155 0.000 0.994 356 N HN 0.511 nan 8.380 nan 0.000 0.426 357 L N 0.021 121.308 121.223 0.105 0.000 2.436 357 L HA 0.457 4.797 4.340 0.001 0.000 0.268 357 L C -1.397 175.522 176.870 0.082 0.000 0.974 357 L CA -0.312 54.571 54.840 0.071 0.000 0.826 357 L CB 2.367 44.454 42.059 0.046 0.000 1.291 357 L HN -0.237 nan 8.230 nan 0.000 0.406 358 T N 6.125 120.716 114.554 0.061 0.000 2.792 358 T HA 0.615 4.966 4.350 0.001 0.000 0.280 358 T C -0.827 173.902 174.700 0.049 0.000 0.990 358 T CA -0.225 61.916 62.100 0.069 0.000 0.960 358 T CB 1.036 69.948 68.868 0.072 0.000 0.939 358 T HN 0.684 nan 8.240 nan 0.000 0.439 359 M N 6.014 125.649 119.600 0.058 0.000 2.204 359 M HA 0.681 5.161 4.480 0.001 0.000 0.293 359 M C -1.732 174.603 176.300 0.059 0.000 0.994 359 M CA -0.788 54.532 55.300 0.034 0.000 0.925 359 M CB 0.964 33.560 32.600 -0.007 0.000 1.577 359 M HN 0.651 nan 8.290 nan 0.000 0.439 360 L N 1.600 122.855 121.223 0.053 0.000 2.403 360 L HA 1.026 5.366 4.340 0.001 0.000 0.253 360 L C -0.315 176.589 176.870 0.057 0.000 1.045 360 L CA -1.019 53.860 54.840 0.066 0.000 0.845 360 L CB 1.400 43.506 42.059 0.079 0.000 1.447 360 L HN 0.677 nan 8.230 nan 0.000 0.411 361 G N -0.433 108.405 108.800 0.064 0.000 2.580 361 G HA2 0.711 4.672 3.960 0.001 0.000 0.278 361 G HA3 0.711 4.672 3.960 0.001 0.000 0.278 361 G C -0.835 174.101 174.900 0.060 0.000 1.212 361 G CA 0.017 45.150 45.100 0.056 0.000 0.939 361 G HN 1.200 nan 8.290 nan 0.000 0.513 362 A N -0.236 122.612 122.820 0.048 0.000 2.605 362 A HA 0.584 4.904 4.320 0.001 0.000 0.294 362 A C 0.346 177.950 177.584 0.033 0.000 1.062 362 A CA -0.545 51.521 52.037 0.049 0.000 0.682 362 A CB 1.064 20.087 19.000 0.038 0.000 1.278 362 A HN 0.555 nan 8.150 nan 0.000 0.410 363 M N -0.259 119.360 119.600 0.033 0.000 2.545 363 M HA 0.167 4.647 4.480 0.001 0.000 0.264 363 M C 0.272 176.576 176.300 0.007 0.000 1.155 363 M CA 1.159 56.469 55.300 0.017 0.000 1.162 363 M CB 0.309 32.916 32.600 0.011 0.000 1.330 363 M HN 0.714 nan 8.290 nan 0.000 0.479 364 Q N -0.017 119.789 119.800 0.010 0.000 2.377 364 Q HA 0.604 4.945 4.340 0.001 0.000 0.279 364 Q C -1.555 174.443 176.000 -0.004 0.000 1.049 364 Q CA -0.638 55.164 55.803 -0.002 0.000 0.825 364 Q CB 3.714 32.454 28.738 0.003 0.000 1.401 364 Q HN -0.051 nan 8.270 nan 0.000 0.404 365 V N 0.929 120.823 119.914 -0.033 0.000 2.789 365 V HA 0.601 4.721 4.120 0.001 0.000 0.311 365 V C -0.389 175.669 176.094 -0.059 0.000 1.073 365 V CA -0.753 61.524 62.300 -0.039 0.000 0.921 365 V CB 1.962 33.747 31.823 -0.063 0.000 1.009 365 V HN 0.899 nan 8.190 nan 0.000 0.426 366 S N 2.529 118.210 115.700 -0.032 0.000 2.651 366 S HA 0.430 4.900 4.470 0.001 0.000 0.291 366 S C 0.960 175.518 174.600 -0.070 0.000 1.141 366 S CA -0.372 57.812 58.200 -0.026 0.000 1.027 366 S CB 1.627 64.849 63.200 0.038 0.000 1.043 366 S HN 0.772 nan 8.310 nan 0.000 0.530 367 K N 0.254 120.599 120.400 -0.091 0.000 2.144 367 K HA -0.198 4.123 4.320 0.001 0.000 0.209 367 K C 0.463 176.814 176.600 -0.414 0.000 1.047 367 K CA 1.919 58.050 56.287 -0.260 0.000 0.927 367 K CB -0.349 32.003 32.500 -0.247 0.000 0.716 367 K HN 0.809 nan 8.250 nan 0.000 0.454 368 Y N -1.196 119.093 120.300 -0.018 0.000 2.524 368 Y HA 0.241 4.791 4.550 0.001 0.000 0.266 368 Y C 1.108 177.012 175.900 0.007 0.000 1.180 368 Y CA 0.253 58.353 58.100 0.001 0.000 1.244 368 Y CB 1.456 39.923 38.460 0.012 0.000 1.125 368 Y HN 0.328 nan 8.280 nan 0.000 0.524 369 G N -0.665 108.180 108.800 0.074 0.000 2.192 369 G HA2 -0.222 3.738 3.960 0.001 0.000 0.193 369 G HA3 -0.222 3.738 3.960 0.001 0.000 0.193 369 G C -0.347 174.592 174.900 0.065 0.000 0.999 369 G CA -0.422 44.715 45.100 0.060 0.000 0.659 369 G HN 0.204 nan 8.290 nan 0.000 0.503 370 D N 0.133 120.577 120.400 0.074 0.000 2.423 370 D HA 0.507 5.147 4.640 0.001 0.000 0.238 370 D C 0.270 176.604 176.300 0.055 0.000 1.142 370 D CA 0.252 54.294 54.000 0.069 0.000 0.884 370 D CB 1.749 42.588 40.800 0.065 0.000 1.199 370 D HN 0.356 nan 8.370 nan 0.000 0.438 371 L N 0.817 122.083 121.223 0.071 0.000 2.381 371 L HA 0.683 5.024 4.340 0.001 0.000 0.268 371 L C -1.401 175.534 176.870 0.108 0.000 0.997 371 L CA -0.748 54.138 54.840 0.077 0.000 0.818 371 L CB 1.925 44.036 42.059 0.086 0.000 1.310 371 L HN 0.385 nan 8.230 nan 0.000 0.416 372 A N 3.409 126.287 122.820 0.097 0.000 2.410 372 A HA 0.670 4.990 4.320 0.001 0.000 0.289 372 A C -0.677 176.974 177.584 0.111 0.000 1.200 372 A CA -0.234 51.870 52.037 0.112 0.000 0.751 372 A CB 0.236 19.265 19.000 0.048 0.000 1.161 372 A HN 0.820 nan 8.150 nan 0.000 0.459 373 N N 0.935 119.752 118.700 0.195 0.000 2.261 373 N HA -0.003 4.737 4.740 0.001 0.000 0.241 373 N C 0.163 175.826 175.510 0.256 0.000 1.374 373 N CA 0.085 53.237 53.050 0.170 0.000 0.802 373 N CB -0.190 38.390 38.487 0.154 0.000 1.339 373 N HN 0.786 nan 8.380 nan 0.000 0.498 374 W N -0.330 121.011 121.300 0.068 0.000 2.661 374 W HA 0.557 5.218 4.660 0.001 0.000 0.288 374 W C -0.677 175.898 176.519 0.093 0.000 1.014 374 W CA -0.328 57.070 57.345 0.089 0.000 1.396 374 W CB 0.309 29.823 29.460 0.089 0.000 0.963 374 W HN -0.020 nan 8.180 nan 0.000 0.584 375 M N 1.647 120.888 119.600 -0.599 0.000 2.371 375 M HA 0.502 4.983 4.480 0.001 0.000 0.287 375 M C -2.222 173.845 176.300 -0.388 0.000 1.149 375 M CA -0.499 54.406 55.300 -0.659 0.000 0.929 375 M CB 2.653 34.360 32.600 -1.489 0.000 1.683 375 M HN -0.112 nan 8.290 nan 0.000 0.470 376 I N 5.708 126.142 120.570 -0.227 0.000 2.464 376 I HA 0.355 4.526 4.170 0.001 0.000 0.277 376 I C -2.255 173.786 176.117 -0.126 0.000 1.040 376 I CA -1.903 59.310 61.300 -0.145 0.000 1.153 376 I CB 1.706 39.658 38.000 -0.080 0.000 1.274 376 I HN 0.440 nan 8.210 nan 0.000 0.469 377 P HA -0.077 nan 4.420 nan 0.000 0.257 377 P C 1.010 178.270 177.300 -0.068 0.000 1.162 377 P CA 1.158 64.207 63.100 -0.085 0.000 0.762 377 P CB 0.370 32.028 31.700 -0.071 0.000 0.753 378 G N 3.337 112.097 108.800 -0.066 0.000 2.212 378 G HA2 -0.340 3.620 3.960 0.001 0.000 0.266 378 G HA3 -0.340 3.620 3.960 0.001 0.000 0.266 378 G C 0.851 175.687 174.900 -0.106 0.000 0.978 378 G CA 0.736 45.768 45.100 -0.113 0.000 0.632 378 G HN 0.560 nan 8.290 nan 0.000 0.537 379 K N -1.360 118.996 120.400 -0.073 0.000 2.511 379 K HA 0.475 4.795 4.320 0.001 0.000 0.206 379 K C 0.347 176.930 176.600 -0.028 0.000 1.333 379 K CA -0.089 56.166 56.287 -0.054 0.000 0.957 379 K CB 1.060 33.534 32.500 -0.044 0.000 1.172 379 K HN 0.239 nan 8.250 nan 0.000 0.547 380 L N 2.629 123.836 121.223 -0.027 0.000 2.485 380 L HA 0.323 4.663 4.340 0.001 0.000 0.260 380 L C -1.204 175.674 176.870 0.014 0.000 0.998 380 L CA -0.529 54.315 54.840 0.006 0.000 0.883 380 L CB 1.881 43.941 42.059 0.002 0.000 1.196 380 L HN -0.093 nan 8.230 nan 0.000 0.443 381 V N 1.352 121.321 119.914 0.092 0.000 2.384 381 V HA 0.461 4.582 4.120 0.001 0.000 0.257 381 V C 0.287 176.549 176.094 0.279 0.000 0.969 381 V CA -0.539 61.873 62.300 0.187 0.000 0.910 381 V CB 0.750 32.735 31.823 0.269 0.000 1.150 381 V HN 0.550 nan 8.190 nan 0.000 0.481 382 K N 2.069 122.579 120.400 0.185 0.000 2.358 382 K HA 0.543 4.864 4.320 0.001 0.000 0.200 382 K C 0.904 177.507 176.600 0.006 0.000 1.030 382 K CA 0.588 56.879 56.287 0.008 0.000 1.097 382 K CB 1.184 33.622 32.500 -0.103 0.000 0.862 382 K HN 1.271 nan 8.250 nan 0.000 0.534 383 G N 2.239 111.213 108.800 0.291 0.000 2.662 383 G HA2 -0.201 3.759 3.960 0.001 0.000 0.686 383 G HA3 -0.201 3.759 3.960 0.001 0.000 0.686 383 G C 0.310 175.502 174.900 0.487 0.000 1.271 383 G CA -0.141 45.172 45.100 0.356 0.000 0.816 383 G HN 0.077 nan 8.290 nan 0.000 0.608 384 M N 0.895 120.652 119.600 0.261 0.000 2.495 384 M HA 0.384 4.864 4.480 0.001 0.000 0.237 384 M C 1.486 177.853 176.300 0.112 0.000 1.131 384 M CA 1.720 57.095 55.300 0.125 0.000 1.032 384 M CB -1.267 31.055 32.600 -0.464 0.000 1.513 384 M HN 2.730 nan 8.290 nan 0.000 0.488 385 G N 1.927 110.826 108.800 0.164 0.000 2.652 385 G HA2 -0.350 3.610 3.960 0.001 0.000 0.318 385 G HA3 -0.350 3.610 3.960 0.001 0.000 0.318 385 G C 0.698 175.663 174.900 0.108 0.000 1.295 385 G CA 0.619 45.808 45.100 0.149 0.000 0.999 385 G HN 0.783 nan 8.290 nan 0.000 0.548 386 G N -0.056 108.872 108.800 0.214 0.000 3.042 386 G HA2 0.508 4.468 3.960 0.001 0.000 0.212 386 G HA3 0.508 4.468 3.960 0.001 0.000 0.212 386 G C 1.776 176.805 174.900 0.215 0.000 1.166 386 G CA 1.706 46.982 45.100 0.292 0.000 0.767 386 G HN 1.644 nan 8.290 nan 0.000 0.546 387 A N 1.198 124.098 122.820 0.133 0.000 1.948 387 A HA -0.128 4.192 4.320 0.001 0.000 0.220 387 A C 2.344 179.966 177.584 0.065 0.000 1.177 387 A CA 1.725 53.827 52.037 0.108 0.000 0.636 387 A CB -0.330 18.739 19.000 0.116 0.000 0.815 387 A HN 0.423 nan 8.150 nan 0.000 0.449 388 M N -0.933 118.655 119.600 -0.019 0.000 2.254 388 M HA -0.086 4.394 4.480 0.001 0.000 0.265 388 M C 1.223 177.546 176.300 0.039 0.000 1.066 388 M CA 1.231 56.508 55.300 -0.038 0.000 1.123 388 M CB -0.533 31.975 32.600 -0.154 0.000 1.388 388 M HN 0.368 nan 8.290 nan 0.000 0.425 389 D N 0.828 121.279 120.400 0.084 0.000 2.149 389 D HA -0.035 4.605 4.640 0.001 0.000 0.201 389 D C 2.132 178.561 176.300 0.214 0.000 0.972 389 D CA 1.113 55.222 54.000 0.182 0.000 0.835 389 D CB 0.007 40.995 40.800 0.314 0.000 0.966 389 D HN 0.351 nan 8.370 nan 0.000 0.476 390 L N 0.995 122.345 121.223 0.211 0.000 2.131 390 L HA -0.125 4.215 4.340 0.001 0.000 0.210 390 L C 2.304 179.242 176.870 0.113 0.000 1.092 390 L CA 0.790 55.727 54.840 0.161 0.000 0.759 390 L CB -0.146 42.004 42.059 0.151 0.000 0.903 390 L HN 0.013 nan 8.230 nan 0.000 0.435 391 V N -4.683 115.291 119.914 0.100 0.000 3.542 391 V HA 0.106 4.226 4.120 0.001 0.000 0.296 391 V C 2.007 178.145 176.094 0.074 0.000 1.364 391 V CA 0.585 62.933 62.300 0.080 0.000 1.118 391 V CB 0.017 31.886 31.823 0.076 0.000 0.972 391 V HN 0.394 nan 8.190 nan 0.000 0.430 392 S N -0.164 115.586 115.700 0.083 0.000 2.522 392 S HA 0.082 4.552 4.470 0.001 0.000 0.227 392 S C 1.115 175.745 174.600 0.050 0.000 0.986 392 S CA 0.744 58.988 58.200 0.072 0.000 0.929 392 S CB -0.263 62.996 63.200 0.099 0.000 0.769 392 S HN 0.691 nan 8.310 nan 0.000 0.529 393 S N 0.029 115.761 115.700 0.053 0.000 2.451 393 S HA 0.721 5.191 4.470 0.001 0.000 0.301 393 S C 1.035 175.647 174.600 0.020 0.000 1.116 393 S CA -0.259 57.961 58.200 0.034 0.000 1.093 393 S CB 1.259 64.478 63.200 0.031 0.000 1.017 393 S HN 0.459 nan 8.310 nan 0.000 0.482 394 A N 4.944 127.768 122.820 0.006 0.000 1.933 394 A HA -0.058 4.262 4.320 0.001 0.000 0.218 394 A C 1.979 179.567 177.584 0.008 0.000 1.175 394 A CA 1.631 53.671 52.037 0.006 0.000 0.628 394 A CB -0.527 18.471 19.000 -0.004 0.000 0.814 394 A HN 0.872 nan 8.150 nan 0.000 0.444 395 K N -0.530 119.869 120.400 -0.002 0.000 2.362 395 K HA -0.043 4.277 4.320 0.001 0.000 0.200 395 K C -0.313 176.289 176.600 0.004 0.000 1.046 395 K CA 1.030 57.312 56.287 -0.009 0.000 0.952 395 K CB -0.116 32.360 32.500 -0.040 0.000 0.753 395 K HN 0.400 nan 8.250 nan 0.000 0.466 396 T N 1.629 116.192 114.554 0.014 0.000 2.806 396 T HA 0.096 4.447 4.350 0.001 0.000 0.290 396 T C -0.629 174.090 174.700 0.033 0.000 0.966 396 T CA -0.488 61.630 62.100 0.030 0.000 1.060 396 T CB 1.513 70.406 68.868 0.041 0.000 0.927 396 T HN 0.075 nan 8.240 nan 0.000 0.485 397 K N 3.531 123.951 120.400 0.033 0.000 2.349 397 K HA 0.301 4.621 4.320 0.001 0.000 0.289 397 K C -0.821 175.795 176.600 0.026 0.000 1.064 397 K CA -0.349 55.953 56.287 0.025 0.000 0.947 397 K CB 0.257 32.766 32.500 0.016 0.000 1.007 397 K HN 0.316 nan 8.250 nan 0.000 0.478 398 V N 5.427 125.358 119.914 0.027 0.000 2.394 398 V HA 0.271 4.391 4.120 0.001 0.000 0.282 398 V C -0.412 175.692 176.094 0.017 0.000 1.031 398 V CA -0.797 61.521 62.300 0.030 0.000 0.881 398 V CB 1.580 33.429 31.823 0.042 0.000 0.982 398 V HN 0.512 nan 8.190 nan 0.000 0.451 399 V N 5.793 125.711 119.914 0.007 0.000 2.487 399 V HA 0.461 4.581 4.120 0.001 0.000 0.298 399 V C -0.167 175.928 176.094 0.003 0.000 1.028 399 V CA -0.625 61.670 62.300 -0.008 0.000 0.860 399 V CB 2.061 33.855 31.823 -0.048 0.000 0.991 399 V HN 0.591 nan 8.190 nan 0.000 0.427 400 V N 4.055 123.973 119.914 0.008 0.000 2.539 400 V HA 0.637 4.758 4.120 0.001 0.000 0.292 400 V C 0.369 176.468 176.094 0.007 0.000 1.045 400 V CA -0.274 62.035 62.300 0.014 0.000 0.945 400 V CB 2.089 33.919 31.823 0.012 0.000 0.993 400 V HN 1.037 nan 8.190 nan 0.000 0.464 401 T N 3.428 117.989 114.554 0.012 0.000 2.847 401 T HA 0.834 5.185 4.350 0.001 0.000 0.291 401 T C -0.805 173.902 174.700 0.012 0.000 0.998 401 T CA -0.698 61.407 62.100 0.009 0.000 0.967 401 T CB 1.190 70.065 68.868 0.012 0.000 0.954 401 T HN 0.753 nan 8.240 nan 0.000 0.441 402 M N 0.260 119.863 119.600 0.005 0.000 2.603 402 M HA 0.617 5.098 4.480 0.001 0.000 0.275 402 M C -1.164 175.139 176.300 0.004 0.000 1.226 402 M CA -1.046 54.257 55.300 0.004 0.000 0.870 402 M CB 1.588 34.187 32.600 -0.002 0.000 1.716 402 M HN 0.335 nan 8.290 nan 0.000 0.482 403 E N 0.839 121.045 120.200 0.010 0.000 2.413 403 E HA -0.016 4.335 4.350 0.001 0.000 0.263 403 E C 0.132 176.763 176.600 0.052 0.000 1.015 403 E CA 0.356 56.770 56.400 0.024 0.000 0.916 403 E CB 0.762 30.473 29.700 0.018 0.000 0.947 403 E HN 0.759 nan 8.360 nan 0.000 0.440 404 H N 1.529 120.602 119.070 0.005 0.000 2.319 404 H HA -0.063 4.493 4.556 0.001 0.000 0.299 404 H C 0.005 175.365 175.328 0.053 0.000 1.092 404 H CA 1.572 57.644 56.048 0.039 0.000 1.302 404 H CB 0.480 30.267 29.762 0.042 0.000 1.373 404 H HN 0.200 nan 8.280 nan 0.000 0.497 405 S N -1.210 114.618 115.700 0.213 0.000 2.634 405 S HA 0.694 5.164 4.470 0.001 0.000 0.296 405 S C -0.712 173.931 174.600 0.071 0.000 1.104 405 S CA -0.539 57.754 58.200 0.155 0.000 0.920 405 S CB 2.056 65.366 63.200 0.184 0.000 1.111 405 S HN 0.561 nan 8.310 nan 0.000 0.493 406 A N 1.245 124.090 122.820 0.042 0.000 2.246 406 A HA 0.572 4.892 4.320 0.001 0.000 0.291 406 A C 0.239 177.827 177.584 0.006 0.000 1.103 406 A CA -0.450 51.597 52.037 0.016 0.000 0.844 406 A CB 0.070 19.072 19.000 0.004 0.000 1.136 406 A HN 0.774 nan 8.150 nan 0.000 0.500 407 K N -0.567 119.832 120.400 -0.001 0.000 2.494 407 K HA 0.252 4.572 4.320 0.001 0.000 0.273 407 K C 1.078 177.669 176.600 -0.015 0.000 0.970 407 K CA 1.255 57.538 56.287 -0.006 0.000 0.963 407 K CB -0.159 32.337 32.500 -0.007 0.000 0.913 407 K HN 1.725 nan 8.250 nan 0.000 0.502 408 G N 2.856 111.647 108.800 -0.015 0.000 2.225 408 G HA2 -0.366 3.595 3.960 0.001 0.000 0.267 408 G HA3 -0.366 3.595 3.960 0.001 0.000 0.267 408 G C 0.194 175.073 174.900 -0.035 0.000 1.024 408 G CA 0.822 45.909 45.100 -0.022 0.000 0.784 408 G HN 1.054 nan 8.290 nan 0.000 0.507 409 N N -2.081 116.606 118.700 -0.022 0.000 2.716 409 N HA -0.087 4.654 4.740 0.001 0.000 0.250 409 N C 0.638 176.086 175.510 -0.103 0.000 1.033 409 N CA 1.815 54.850 53.050 -0.025 0.000 0.727 409 N CB -1.073 37.406 38.487 -0.013 0.000 0.950 409 N HN 1.827 nan 8.380 nan 0.000 0.541 410 A N 0.732 123.494 122.820 -0.096 0.000 2.363 410 A HA 0.396 4.717 4.320 0.001 0.000 0.270 410 A C 0.008 177.537 177.584 -0.091 0.000 1.121 410 A CA -0.378 51.560 52.037 -0.164 0.000 0.800 410 A CB 0.282 19.232 19.000 -0.084 0.000 1.052 410 A HN 0.451 nan 8.150 nan 0.000 0.493 411 H N 1.492 120.584 119.070 0.037 0.000 2.897 411 H HA 0.100 4.656 4.556 0.001 0.000 0.347 411 H C 0.438 175.766 175.328 0.001 0.000 1.068 411 H CA 0.554 56.622 56.048 0.033 0.000 1.426 411 H CB 0.885 30.665 29.762 0.030 0.000 1.410 411 H HN 0.756 nan 8.280 nan 0.000 0.597 412 K N 1.806 122.273 120.400 0.112 0.000 2.399 412 K HA 0.290 4.610 4.320 0.001 0.000 0.196 412 K C 0.312 176.889 176.600 -0.039 0.000 1.117 412 K CA 0.232 56.529 56.287 0.017 0.000 0.965 412 K CB 0.925 33.417 32.500 -0.014 0.000 0.983 412 K HN 0.382 nan 8.250 nan 0.000 0.531 413 I N 3.386 123.902 120.570 -0.090 0.000 2.312 413 I HA 0.280 4.451 4.170 0.001 0.000 0.290 413 I C -0.158 175.879 176.117 -0.134 0.000 1.008 413 I CA -0.408 60.783 61.300 -0.182 0.000 1.226 413 I CB 0.975 38.761 38.000 -0.357 0.000 1.371 413 I HN 0.058 nan 8.210 nan 0.000 0.468 414 M N 3.184 122.724 119.600 -0.099 0.000 2.948 414 M HA 0.520 5.000 4.480 0.001 0.000 0.278 414 M C 0.084 176.356 176.300 -0.046 0.000 1.293 414 M CA -0.858 54.405 55.300 -0.062 0.000 0.777 414 M CB 1.427 34.029 32.600 0.005 0.000 1.713 414 M HN 0.150 nan 8.290 nan 0.000 0.444 415 E N 1.047 121.241 120.200 -0.011 0.000 2.110 415 E HA 0.048 4.398 4.350 0.001 0.000 0.193 415 E C -0.227 176.404 176.600 0.051 0.000 0.988 415 E CA 1.336 57.753 56.400 0.029 0.000 0.804 415 E CB 0.202 29.926 29.700 0.040 0.000 0.745 415 E HN 0.340 nan 8.360 nan 0.000 0.458 416 K N -0.401 120.019 120.400 0.033 0.000 2.546 416 K HA 0.272 4.593 4.320 0.001 0.000 0.264 416 K C -0.749 175.865 176.600 0.024 0.000 0.937 416 K CA -0.565 55.743 56.287 0.036 0.000 0.833 416 K CB 1.808 34.330 32.500 0.036 0.000 1.378 416 K HN -0.048 nan 8.250 nan 0.000 0.432 417 C N 1.205 120.519 119.300 0.023 0.000 2.604 417 C HA 0.247 4.708 4.460 0.001 0.000 0.396 417 C C 2.055 177.053 174.990 0.013 0.000 1.282 417 C CA -0.283 58.746 59.018 0.017 0.000 2.292 417 C CB 0.127 27.880 27.740 0.022 0.000 2.633 417 C HN 0.903 nan 8.230 nan 0.000 0.620 418 T N -1.040 113.517 114.554 0.006 0.000 3.022 418 T HA 0.234 4.585 4.350 0.001 0.000 0.250 418 T C 0.288 174.978 174.700 -0.016 0.000 1.060 418 T CA 0.238 62.337 62.100 -0.001 0.000 1.013 418 T CB -0.115 68.753 68.868 -0.000 0.000 0.982 418 T HN 0.519 nan 8.240 nan 0.000 0.508 419 L N 1.526 122.736 121.223 -0.021 0.000 2.375 419 L HA 0.497 4.837 4.340 0.001 0.000 0.268 419 L C -2.421 174.419 176.870 -0.050 0.000 1.058 419 L CA -2.950 51.858 54.840 -0.054 0.000 0.803 419 L CB 0.811 42.833 42.059 -0.062 0.000 1.212 419 L HN -0.141 nan 8.230 nan 0.000 0.451 420 P HA -0.006 nan 4.420 nan 0.000 0.261 420 P C -0.749 176.620 177.300 0.114 0.000 1.173 420 P CA 0.298 63.361 63.100 -0.063 0.000 0.760 420 P CB 0.260 31.747 31.700 -0.355 0.000 0.783 421 L N 2.836 124.201 121.223 0.236 0.000 2.417 421 L HA 0.134 4.474 4.340 0.001 0.000 0.268 421 L C 1.516 178.639 176.870 0.422 0.000 1.158 421 L CA 0.162 55.157 54.840 0.257 0.000 0.819 421 L CB 0.403 42.540 42.059 0.130 0.000 1.112 421 L HN 0.411 nan 8.230 nan 0.000 0.458 422 T N 0.379 115.116 114.554 0.305 0.000 3.040 422 T HA 0.235 4.585 4.350 0.001 0.000 0.252 422 T C 0.495 175.237 174.700 0.070 0.000 1.064 422 T CA 0.500 62.706 62.100 0.177 0.000 1.110 422 T CB 0.567 69.562 68.868 0.211 0.000 0.921 422 T HN 0.836 nan 8.240 nan 0.000 0.480 423 G N 0.367 109.223 108.800 0.093 0.000 2.523 423 G HA2 0.545 4.505 3.960 0.001 0.000 0.291 423 G HA3 0.545 4.505 3.960 0.001 0.000 0.291 423 G C -2.089 172.856 174.900 0.074 0.000 1.450 423 G CA -0.858 44.283 45.100 0.069 0.000 0.790 423 G HN 0.007 nan 8.290 nan 0.000 0.496 424 K N 0.563 121.013 120.400 0.084 0.000 2.207 424 K HA 0.420 4.741 4.320 0.001 0.000 0.255 424 K C -0.074 176.593 176.600 0.111 0.000 0.941 424 K CA -0.641 55.702 56.287 0.094 0.000 0.825 424 K CB 1.770 34.330 32.500 0.099 0.000 1.119 424 K HN 0.670 nan 8.250 nan 0.000 0.430 425 Q N 0.165 120.029 119.800 0.108 0.000 2.416 425 Q HA -0.252 4.089 4.340 0.001 0.000 0.319 425 Q C 0.542 176.595 176.000 0.088 0.000 1.318 425 Q CA 0.644 56.514 55.803 0.111 0.000 0.915 425 Q CB -1.905 26.901 28.738 0.113 0.000 1.184 425 Q HN 0.863 nan 8.270 nan 0.000 0.444 426 C N -4.915 114.432 119.300 0.078 0.000 3.403 426 C HA 0.448 4.908 4.460 0.001 0.000 0.317 426 C C 0.917 175.940 174.990 0.055 0.000 1.346 426 C CA -0.426 58.631 59.018 0.065 0.000 1.743 426 C CB -0.047 27.735 27.740 0.070 0.000 2.308 426 C HN 0.259 nan 8.230 nan 0.000 0.675 427 V N 3.671 123.616 119.914 0.051 0.000 2.465 427 V HA 0.261 4.382 4.120 0.001 0.000 0.279 427 V C 0.207 176.320 176.094 0.032 0.000 1.045 427 V CA 0.456 62.779 62.300 0.037 0.000 0.938 427 V CB 1.014 32.853 31.823 0.026 0.000 0.986 427 V HN 0.471 nan 8.190 nan 0.000 0.467 428 N N 3.113 121.829 118.700 0.027 0.000 2.254 428 N HA 0.236 4.976 4.740 0.001 0.000 0.190 428 N C 0.301 175.825 175.510 0.022 0.000 1.107 428 N CA -0.153 52.912 53.050 0.026 0.000 0.869 428 N CB 0.550 39.052 38.487 0.024 0.000 0.983 428 N HN 0.666 nan 8.380 nan 0.000 0.487 429 R N 0.382 120.894 120.500 0.020 0.000 2.664 429 R HA 0.396 4.736 4.340 0.001 0.000 0.260 429 R C -2.188 174.131 176.300 0.031 0.000 1.062 429 R CA -0.483 55.635 56.100 0.030 0.000 0.902 429 R CB 0.907 31.215 30.300 0.013 0.000 1.258 429 R HN -0.082 nan 8.270 nan 0.000 0.465 430 I N 4.594 125.206 120.570 0.070 0.000 2.545 430 I HA 0.466 4.636 4.170 0.001 0.000 0.292 430 I C -0.491 175.677 176.117 0.084 0.000 1.040 430 I CA -0.843 60.499 61.300 0.071 0.000 1.068 430 I CB 2.234 40.284 38.000 0.083 0.000 1.251 430 I HN 0.430 nan 8.210 nan 0.000 0.424 431 I N 5.012 125.605 120.570 0.039 0.000 2.410 431 I HA 0.385 4.556 4.170 0.001 0.000 0.286 431 I C 0.134 176.268 176.117 0.027 0.000 1.009 431 I CA -0.262 61.051 61.300 0.022 0.000 1.111 431 I CB 2.001 39.996 38.000 -0.009 0.000 1.262 431 I HN 0.649 nan 8.210 nan 0.000 0.443 432 T N 0.933 115.520 114.554 0.055 0.000 2.807 432 T HA 0.289 4.639 4.350 0.001 0.000 0.277 432 T C 0.858 175.572 174.700 0.022 0.000 1.006 432 T CA -0.569 61.574 62.100 0.070 0.000 1.006 432 T CB 1.745 70.739 68.868 0.210 0.000 1.274 432 T HN 0.621 nan 8.240 nan 0.000 0.569 433 E N 0.381 120.567 120.200 -0.023 0.000 2.427 433 E HA -0.016 4.334 4.350 0.001 0.000 0.196 433 E C 1.074 177.543 176.600 -0.219 0.000 1.028 433 E CA 0.781 57.069 56.400 -0.187 0.000 0.864 433 E CB -0.093 29.453 29.700 -0.256 0.000 0.813 433 E HN 0.787 nan 8.360 nan 0.000 0.514 434 K N -0.020 120.353 120.400 -0.045 0.000 2.370 434 K HA 0.411 4.732 4.320 0.001 0.000 0.194 434 K C 0.567 177.181 176.600 0.023 0.000 1.070 434 K CA 0.599 56.871 56.287 -0.024 0.000 0.998 434 K CB 1.202 33.588 32.500 -0.190 0.000 0.911 434 K HN 0.139 nan 8.250 nan 0.000 0.533 435 A N 0.681 123.515 122.820 0.024 0.000 2.610 435 A HA 0.591 4.911 4.320 0.001 0.000 0.291 435 A C -1.578 175.876 177.584 -0.217 0.000 1.086 435 A CA -0.614 51.313 52.037 -0.184 0.000 0.677 435 A CB 1.743 20.468 19.000 -0.457 0.000 1.278 435 A HN -0.103 nan 8.150 nan 0.000 0.414 436 V N 1.046 120.735 119.914 -0.374 0.000 2.483 436 V HA 0.604 4.725 4.120 0.001 0.000 0.297 436 V C -1.387 174.489 176.094 -0.364 0.000 1.027 436 V CA -0.191 61.972 62.300 -0.229 0.000 0.855 436 V CB 1.008 32.762 31.823 -0.115 0.000 0.995 436 V HN 0.667 nan 8.190 nan 0.000 0.424 437 F N 1.937 121.844 119.950 -0.072 0.000 2.495 437 F HA 0.546 5.073 4.527 0.001 0.000 0.327 437 F C 0.414 176.178 175.800 -0.059 0.000 1.103 437 F CA -0.719 57.230 58.000 -0.086 0.000 0.949 437 F CB 1.531 40.456 39.000 -0.126 0.000 1.142 437 F HN 0.374 nan 8.300 nan 0.000 0.457 438 D N 1.609 122.100 120.400 0.152 0.000 2.283 438 D HA 0.512 5.153 4.640 0.001 0.000 0.248 438 D C -0.750 175.593 176.300 0.072 0.000 1.072 438 D CA 0.062 54.111 54.000 0.082 0.000 0.929 438 D CB 2.002 42.834 40.800 0.054 0.000 1.182 438 D HN 0.125 nan 8.370 nan 0.000 0.433 439 V N 1.489 121.422 119.914 0.031 0.000 2.531 439 V HA 0.376 4.496 4.120 0.001 0.000 0.301 439 V C -0.488 175.614 176.094 0.015 0.000 1.034 439 V CA -0.842 61.452 62.300 -0.010 0.000 0.865 439 V CB 1.983 33.796 31.823 -0.017 0.000 0.995 439 V HN 0.455 nan 8.190 nan 0.000 0.424 440 D N 2.174 122.583 120.400 0.015 0.000 2.780 440 D HA 0.414 5.054 4.640 0.001 0.000 0.242 440 D C 1.178 177.583 176.300 0.175 0.000 1.135 440 D CA -0.773 53.271 54.000 0.074 0.000 0.859 440 D CB 1.792 42.635 40.800 0.072 0.000 1.530 440 D HN 0.529 nan 8.370 nan 0.000 0.493 441 R N 2.261 122.872 120.500 0.186 0.000 2.285 441 R HA -0.010 4.331 4.340 0.001 0.000 0.213 441 R C 0.353 176.821 176.300 0.279 0.000 1.068 441 R CA 0.702 56.955 56.100 0.255 0.000 1.004 441 R CB 0.030 30.404 30.300 0.123 0.000 0.873 441 R HN 0.182 nan 8.270 nan 0.000 0.467 442 K N 0.952 121.495 120.400 0.239 0.000 2.344 442 K HA 0.103 4.424 4.320 0.001 0.000 0.200 442 K C 1.596 178.380 176.600 0.306 0.000 1.132 442 K CA 0.692 57.094 56.287 0.192 0.000 0.935 442 K CB 0.057 32.612 32.500 0.093 0.000 1.089 442 K HN 0.104 nan 8.250 nan 0.000 0.496 443 K N 0.468 121.006 120.400 0.231 0.000 2.400 443 K HA 0.027 4.348 4.320 0.001 0.000 0.194 443 K C 0.514 177.164 176.600 0.082 0.000 1.033 443 K CA 0.822 57.206 56.287 0.163 0.000 1.021 443 K CB 0.255 32.807 32.500 0.087 0.000 0.808 443 K HN 0.233 nan 8.250 nan 0.000 0.505 444 G N 0.977 109.736 108.800 -0.068 0.000 2.512 444 G HA2 -0.269 3.692 3.960 0.001 0.000 0.240 444 G HA3 -0.269 3.692 3.960 0.001 0.000 0.240 444 G C -1.169 173.526 174.900 -0.342 0.000 1.246 444 G CA -0.254 44.397 45.100 -0.749 0.000 0.919 444 G HN 0.155 nan 8.290 nan 0.000 0.577 445 L N 1.304 122.343 121.223 -0.307 0.000 2.305 445 L HA 0.687 5.028 4.340 0.001 0.000 0.281 445 L C 0.551 177.487 176.870 0.109 0.000 1.085 445 L CA 0.304 55.075 54.840 -0.116 0.000 0.813 445 L CB 1.409 43.327 42.059 -0.236 0.000 1.157 445 L HN 0.734 nan 8.230 nan 0.000 0.436 446 T N 5.481 120.152 114.554 0.196 0.000 2.847 446 T HA 0.333 4.684 4.350 0.001 0.000 0.291 446 T C -0.695 174.175 174.700 0.282 0.000 0.998 446 T CA -0.422 61.819 62.100 0.236 0.000 0.967 446 T CB 0.983 69.925 68.868 0.124 0.000 0.954 446 T HN 0.394 nan 8.240 nan 0.000 0.441 447 L N 5.912 127.312 121.223 0.296 0.000 2.433 447 L HA 0.409 4.750 4.340 0.001 0.000 0.275 447 L C 0.844 177.673 176.870 -0.070 0.000 1.128 447 L CA 0.321 55.104 54.840 -0.096 0.000 0.875 447 L CB -0.120 41.840 42.059 -0.165 0.000 1.171 447 L HN 0.785 nan 8.230 nan 0.000 0.463 448 I N 0.038 120.521 120.570 -0.144 0.000 4.288 448 I HA 0.447 4.618 4.170 0.001 0.000 0.331 448 I C -0.081 175.972 176.117 -0.106 0.000 1.322 448 I CA -0.159 61.095 61.300 -0.077 0.000 1.149 448 I CB 0.246 38.223 38.000 -0.039 0.000 1.112 448 I HN 0.494 nan 8.210 nan 0.000 0.403 449 E N 1.858 121.951 120.200 -0.179 0.000 2.308 449 E HA 0.597 4.947 4.350 0.001 0.000 0.275 449 E C -1.835 174.658 176.600 -0.178 0.000 0.890 449 E CA -0.818 55.497 56.400 -0.142 0.000 0.754 449 E CB 3.404 33.045 29.700 -0.098 0.000 1.207 449 E HN 0.095 nan 8.360 nan 0.000 0.426 450 L N 2.883 124.038 121.223 -0.113 0.000 2.406 450 L HA 0.384 4.724 4.340 0.001 0.000 0.272 450 L C -1.165 175.690 176.870 -0.024 0.000 0.980 450 L CA -0.425 54.366 54.840 -0.083 0.000 0.831 450 L CB 1.222 43.234 42.059 -0.078 0.000 1.253 450 L HN 0.654 nan 8.230 nan 0.000 0.406 451 W N 6.055 127.287 121.300 -0.114 0.000 2.322 451 W HA 0.131 4.791 4.660 0.001 0.000 0.328 451 W C 0.148 176.628 176.519 -0.066 0.000 1.395 451 W CA -0.066 57.229 57.345 -0.084 0.000 1.267 451 W CB 0.629 30.042 29.460 -0.078 0.000 1.259 451 W HN 0.842 nan 8.180 nan 0.000 0.560 452 E N 3.899 123.599 120.200 -0.832 0.000 2.502 452 E HA 0.290 4.640 4.350 0.001 0.000 0.261 452 E C 0.982 177.393 176.600 -0.315 0.000 0.974 452 E CA 0.757 56.841 56.400 -0.527 0.000 0.936 452 E CB 0.502 29.869 29.700 -0.555 0.000 0.926 452 E HN 0.703 nan 8.360 nan 0.000 0.459 453 G N 2.769 111.494 108.800 -0.126 0.000 2.308 453 G HA2 -0.251 3.710 3.960 0.001 0.000 0.221 453 G HA3 -0.251 3.710 3.960 0.001 0.000 0.221 453 G C 0.124 175.043 174.900 0.031 0.000 1.032 453 G CA 0.011 45.102 45.100 -0.015 0.000 0.623 453 G HN 0.449 nan 8.290 nan 0.000 0.506 454 L N 1.985 123.240 121.223 0.053 0.000 2.379 454 L HA 0.674 5.014 4.340 0.001 0.000 0.269 454 L C 1.127 178.010 176.870 0.021 0.000 1.084 454 L CA -0.125 54.749 54.840 0.057 0.000 0.802 454 L CB 1.610 43.724 42.059 0.093 0.000 1.175 454 L HN 0.456 nan 8.230 nan 0.000 0.448 455 T N -2.223 112.347 114.554 0.027 0.000 2.949 455 T HA 0.319 4.670 4.350 0.001 0.000 0.287 455 T C 0.981 175.712 174.700 0.052 0.000 1.034 455 T CA -0.809 61.308 62.100 0.029 0.000 1.018 455 T CB 1.814 70.700 68.868 0.031 0.000 1.135 455 T HN 0.186 nan 8.240 nan 0.000 0.532 456 V N 0.863 120.820 119.914 0.072 0.000 2.469 456 V HA -0.134 3.986 4.120 0.001 0.000 0.251 456 V C 2.433 178.631 176.094 0.174 0.000 1.064 456 V CA 2.447 64.835 62.300 0.148 0.000 1.066 456 V CB -0.960 30.952 31.823 0.149 0.000 0.667 456 V HN 1.077 nan 8.190 nan 0.000 0.461 457 D N -0.378 120.084 120.400 0.103 0.000 2.144 457 D HA -0.175 4.465 4.640 0.001 0.000 0.200 457 D C 1.816 178.175 176.300 0.099 0.000 0.978 457 D CA 1.136 55.191 54.000 0.092 0.000 0.833 457 D CB -0.034 40.799 40.800 0.055 0.000 0.961 457 D HN 0.403 nan 8.370 nan 0.000 0.470 458 D N -0.064 120.380 120.400 0.075 0.000 2.144 458 D HA -0.124 4.517 4.640 0.001 0.000 0.199 458 D C 2.067 178.401 176.300 0.056 0.000 0.984 458 D CA 0.503 54.535 54.000 0.053 0.000 0.834 458 D CB -0.017 40.800 40.800 0.028 0.000 0.955 458 D HN 0.291 nan 8.370 nan 0.000 0.465 459 I N 1.298 121.916 120.570 0.079 0.000 2.202 459 I HA -0.193 3.978 4.170 0.001 0.000 0.242 459 I C 2.227 178.502 176.117 0.263 0.000 1.091 459 I CA 0.994 62.342 61.300 0.080 0.000 1.368 459 I CB -0.840 37.182 38.000 0.037 0.000 1.058 459 I HN -0.011 nan 8.210 nan 0.000 0.410 460 K N 1.215 121.845 120.400 0.382 0.000 2.113 460 K HA -0.187 4.133 4.320 0.001 0.000 0.208 460 K C 1.623 178.348 176.600 0.208 0.000 1.047 460 K CA 1.500 57.996 56.287 0.348 0.000 0.928 460 K CB -0.118 32.489 32.500 0.178 0.000 0.716 460 K HN 0.457 nan 8.250 nan 0.000 0.446 461 K N -0.437 120.066 120.400 0.171 0.000 2.476 461 K HA 0.113 4.433 4.320 0.001 0.000 0.196 461 K C 0.413 177.176 176.600 0.272 0.000 1.025 461 K CA 0.497 56.895 56.287 0.184 0.000 1.138 461 K CB 0.747 33.323 32.500 0.128 0.000 0.860 461 K HN -0.157 nan 8.250 nan 0.000 0.515 462 S N 0.510 116.363 115.700 0.255 0.000 2.937 462 S HA 0.126 4.597 4.470 0.001 0.000 0.252 462 S C -0.686 174.167 174.600 0.423 0.000 1.022 462 S CA -0.456 57.948 58.200 0.341 0.000 1.079 462 S CB 1.146 64.410 63.200 0.107 0.000 1.035 462 S HN 0.227 nan 8.310 nan 0.000 0.594 463 T N 0.646 115.265 114.554 0.108 0.000 2.921 463 T HA 0.450 4.800 4.350 0.001 0.000 0.297 463 T C 0.777 175.133 174.700 -0.574 0.000 1.013 463 T CA -0.637 61.422 62.100 -0.068 0.000 0.990 463 T CB 1.720 70.697 68.868 0.182 0.000 1.023 463 T HN 0.151 nan 8.240 nan 0.000 0.447 464 G N 0.932 109.340 108.800 -0.652 0.000 3.314 464 G HA2 0.394 4.354 3.960 0.001 0.000 0.238 464 G HA3 0.394 4.354 3.960 0.001 0.000 0.238 464 G C 0.543 175.344 174.900 -0.166 0.000 1.184 464 G CA -0.100 44.702 45.100 -0.498 0.000 0.806 464 G HN 1.011 nan 8.290 nan 0.000 0.536 465 C N -0.756 118.477 119.300 -0.111 0.000 3.318 465 C HA 0.743 5.203 4.460 0.001 0.000 0.322 465 C C -0.896 174.113 174.990 0.032 0.000 1.398 465 C CA -1.359 57.634 59.018 -0.042 0.000 1.339 465 C CB 1.576 29.278 27.740 -0.063 0.000 1.668 465 C HN 0.262 nan 8.230 nan 0.000 0.462 466 D N 0.580 120.975 120.400 -0.009 0.000 2.340 466 D HA 0.752 5.393 4.640 0.001 0.000 0.251 466 D C -0.556 175.748 176.300 0.008 0.000 1.080 466 D CA -0.209 53.728 54.000 -0.105 0.000 0.971 466 D CB 0.499 41.200 40.800 -0.166 0.000 1.137 466 D HN 0.750 nan 8.370 nan 0.000 0.475 467 F N -2.757 117.189 119.950 -0.006 0.000 2.613 467 F HA 0.768 5.295 4.527 0.001 0.000 0.310 467 F C -0.398 175.430 175.800 0.046 0.000 1.085 467 F CA -1.883 56.126 58.000 0.015 0.000 0.945 467 F CB 0.874 39.946 39.000 0.121 0.000 1.298 467 F HN 0.477 nan 8.300 nan 0.000 0.455 468 A N 1.124 124.064 122.820 0.198 0.000 2.366 468 A HA 0.662 4.982 4.320 0.001 0.000 0.249 468 A C -0.755 176.986 177.584 0.262 0.000 1.084 468 A CA -0.549 51.563 52.037 0.126 0.000 0.794 468 A CB 0.612 19.670 19.000 0.097 0.000 1.034 468 A HN 0.771 nan 8.150 nan 0.000 0.491 469 V N 1.678 121.694 119.914 0.170 0.000 2.409 469 V HA 0.364 4.484 4.120 0.001 0.000 0.291 469 V C 0.652 176.809 176.094 0.105 0.000 1.020 469 V CA -0.399 62.017 62.300 0.193 0.000 0.848 469 V CB 1.379 33.294 31.823 0.153 0.000 0.990 469 V HN 0.995 nan 8.190 nan 0.000 0.430 470 S N 7.082 122.834 115.700 0.087 0.000 2.562 470 S HA 0.236 4.706 4.470 0.001 0.000 0.281 470 S C -0.842 173.778 174.600 0.033 0.000 1.333 470 S CA -0.881 57.350 58.200 0.051 0.000 1.052 470 S CB 1.025 64.246 63.200 0.035 0.000 0.884 470 S HN 0.691 nan 8.310 nan 0.000 0.506 471 P HA -0.007 nan 4.420 nan 0.000 0.230 471 P C 0.052 177.356 177.300 0.006 0.000 1.158 471 P CA 0.899 64.008 63.100 0.015 0.000 0.769 471 P CB 0.054 31.762 31.700 0.013 0.000 0.807 472 K N -0.174 120.229 120.400 0.005 0.000 2.493 472 K HA 0.154 4.474 4.320 0.001 0.000 0.207 472 K C 0.454 177.047 176.600 -0.011 0.000 1.033 472 K CA -0.727 55.557 56.287 -0.004 0.000 1.161 472 K CB -0.092 32.406 32.500 -0.003 0.000 0.873 472 K HN 0.052 nan 8.250 nan 0.000 0.491 473 L N 2.812 124.030 121.223 -0.008 0.000 2.584 473 L HA 0.079 4.419 4.340 0.001 0.000 0.272 473 L C -0.157 176.692 176.870 -0.036 0.000 1.195 473 L CA 0.449 55.276 54.840 -0.022 0.000 0.920 473 L CB -0.029 42.025 42.059 -0.009 0.000 1.173 473 L HN 0.170 nan 8.230 nan 0.000 0.489 474 I N 3.374 123.913 120.570 -0.051 0.000 2.957 474 I HA 0.724 4.894 4.170 0.001 0.000 0.310 474 I C -2.462 173.606 176.117 -0.082 0.000 1.063 474 I CA -2.622 58.642 61.300 -0.061 0.000 1.033 474 I CB 1.965 39.932 38.000 -0.055 0.000 1.230 474 I HN 0.399 nan 8.210 nan 0.000 0.447 475 P HA 0.094 nan 4.420 nan 0.000 0.271 475 P C -0.516 176.703 177.300 -0.135 0.000 1.218 475 P CA -0.216 62.795 63.100 -0.148 0.000 0.780 475 P CB 0.687 32.270 31.700 -0.195 0.000 0.901 476 M N 2.563 122.091 119.600 -0.120 0.000 2.260 476 M HA -0.041 4.439 4.480 0.001 0.000 0.348 476 M C 0.402 176.679 176.300 -0.039 0.000 1.342 476 M CA 0.690 55.980 55.300 -0.018 0.000 1.040 476 M CB 0.047 32.765 32.600 0.197 0.000 1.810 476 M HN 0.310 nan 8.290 nan 0.000 0.453 477 Q N 3.356 123.154 119.800 -0.003 0.000 2.256 477 Q HA 0.370 4.710 4.340 0.001 0.000 0.232 477 Q C -1.015 175.015 176.000 0.051 0.000 0.965 477 Q CA -0.723 55.077 55.803 -0.005 0.000 0.908 477 Q CB 1.058 29.788 28.738 -0.014 0.000 1.209 477 Q HN 0.552 nan 8.270 nan 0.000 0.489 478 Q N 0.650 120.469 119.800 0.031 0.000 2.315 478 Q HA 0.302 4.643 4.340 0.001 0.000 0.273 478 Q C -1.140 174.858 176.000 -0.003 0.000 1.053 478 Q CA -0.605 55.219 55.803 0.035 0.000 0.817 478 Q CB 2.643 31.429 28.738 0.080 0.000 1.326 478 Q HN 0.549 nan 8.270 nan 0.000 0.423 479 V N 2.792 122.689 119.914 -0.029 0.000 2.872 479 V HA 0.133 4.253 4.120 0.001 0.000 0.307 479 V C 0.295 176.391 176.094 0.003 0.000 1.072 479 V CA 0.643 62.942 62.300 -0.001 0.000 1.148 479 V CB 0.806 32.641 31.823 0.019 0.000 0.954 479 V HN 0.969 nan 8.190 nan 0.000 0.490 480 T N 0.000 114.575 114.554 0.036 0.000 3.816 480 T HA 0.000 4.350 4.350 0.001 0.000 0.228 480 T CA 0.000 62.125 62.100 0.041 0.000 1.349 480 T CB 0.000 68.888 68.868 0.033 0.000 0.612 480 T HN 0.000 nan 8.240 nan 0.000 0.658