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 2vgk_1_C DATA FIRST_RESID 1 DATA SEQUENCE RLTELREDID AILEDPALEG AVSGVVVVDT ATGEELYSRD GGEQLLPASN DATA SEQUENCE MKLFTAAAAL EVLGADHSFG TEVAAESAPG RRGEVQDLYL VGRGDPTLSA DATA SEQUENCE EDLDAMAAEV AASGVRTVRG DLYADDTWFD SERLVDDWWP EDEPYAYSAQ DATA SEQUENCE ISALTVAHGE RFDTGVTEVS VTPAAEGEPA DVDLGAAEGY AELDNRAVTG DATA SEQUENCE AAGSANTLVI DRPVGTNTIA VTGSLPADAA PVTALRTVDE PAALAGHLFE DATA SEQUENCE EALESNGVTV KGDVGLGGVP ADWQDAEVLA DHTSAELSEI LVPFMKFSNN DATA SEQUENCE GHAEMLVKSI GQETAGAGTW DAGLVGVEEA LSGLGVDTAG LVLNDGSGLS DATA SEQUENCE RGNLVTADTV VDLLGQAGSA PWAQTWSASL PVAGESDPFV GGTLANRMRG DATA SEQUENCE TAAEGVVEAK TGTMSGVSAL SGYVPGPEGE LAFSIVNNGH SGPAPLAVQD DATA SEQUENCE AIAVRLAEYA GHQAPE 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 R HA 0.000 nan 4.340 nan 0.000 0.208 1 R C 0.000 176.429 176.300 0.214 0.000 0.893 1 R CA 0.000 56.170 56.100 0.116 0.000 0.921 1 R CB 0.000 30.345 30.300 0.075 0.000 0.687 2 L N 1.073 122.403 121.223 0.179 0.000 2.007 2 L HA -0.040 4.301 4.340 0.001 0.000 0.205 2 L C 2.183 179.102 176.870 0.082 0.000 1.073 2 L CA 2.397 57.323 54.840 0.143 0.000 0.744 2 L CB -0.302 41.819 42.059 0.103 0.000 0.898 2 L HN 0.969 nan 8.230 nan 0.000 0.435 3 T N -3.647 110.947 114.554 0.067 0.000 3.139 3 T HA -0.192 4.159 4.350 0.001 0.000 0.267 3 T C 1.423 176.153 174.700 0.052 0.000 1.164 3 T CA 0.936 63.066 62.100 0.051 0.000 1.075 3 T CB -0.175 68.716 68.868 0.038 0.000 0.904 3 T HN 0.378 nan 8.240 nan 0.000 0.540 4 E N 0.026 120.262 120.200 0.061 0.000 2.190 4 E HA 0.074 4.425 4.350 0.001 0.000 0.191 4 E C 1.891 178.517 176.600 0.045 0.000 0.978 4 E CA 0.108 56.540 56.400 0.053 0.000 0.839 4 E CB -0.035 29.701 29.700 0.060 0.000 0.787 4 E HN 0.417 nan 8.360 nan 0.000 0.473 5 L N 1.397 122.647 121.223 0.045 0.000 2.046 5 L HA -0.130 4.211 4.340 0.001 0.000 0.208 5 L C 2.221 179.080 176.870 -0.018 0.000 1.077 5 L CA 1.632 56.459 54.840 -0.021 0.000 0.747 5 L CB -0.151 41.819 42.059 -0.148 0.000 0.896 5 L HN -0.042 nan 8.230 nan 0.000 0.432 6 R N -0.507 120.029 120.500 0.059 0.000 2.120 6 R HA -0.145 4.196 4.340 0.001 0.000 0.234 6 R C 2.153 178.541 176.300 0.148 0.000 1.123 6 R CA 1.598 57.810 56.100 0.187 0.000 0.975 6 R CB -0.318 30.075 30.300 0.154 0.000 0.866 6 R HN 0.545 nan 8.270 nan 0.000 0.446 7 E N 0.278 120.521 120.200 0.071 0.000 2.072 7 E HA -0.145 4.206 4.350 0.001 0.000 0.190 7 E C 1.287 177.900 176.600 0.022 0.000 0.982 7 E CA 1.021 57.450 56.400 0.049 0.000 0.803 7 E CB 0.084 29.804 29.700 0.033 0.000 0.755 7 E HN 0.321 nan 8.360 nan 0.000 0.453 8 D N 0.617 121.014 120.400 -0.005 0.000 2.149 8 D HA -0.090 4.551 4.640 0.001 0.000 0.201 8 D C 1.995 178.247 176.300 -0.079 0.000 0.972 8 D CA 0.771 54.749 54.000 -0.036 0.000 0.835 8 D CB -0.106 40.670 40.800 -0.040 0.000 0.966 8 D HN 0.211 nan 8.370 nan 0.000 0.476 9 I N 0.897 121.382 120.570 -0.142 0.000 2.252 9 I HA -0.209 3.962 4.170 0.001 0.000 0.245 9 I C 1.822 177.866 176.117 -0.121 0.000 1.102 9 I CA 0.897 62.038 61.300 -0.265 0.000 1.385 9 I CB -0.179 37.395 38.000 -0.710 0.000 1.064 9 I HN -0.179 nan 8.210 nan 0.000 0.414 10 D N 1.311 121.725 120.400 0.024 0.000 2.116 10 D HA -0.203 4.438 4.640 0.001 0.000 0.193 10 D C 2.243 178.561 176.300 0.029 0.000 0.998 10 D CA 1.823 55.876 54.000 0.088 0.000 0.836 10 D CB -0.114 40.749 40.800 0.106 0.000 0.951 10 D HN 0.356 nan 8.370 nan 0.000 0.449 11 A N 0.075 122.898 122.820 0.005 0.000 1.873 11 A HA -0.096 4.225 4.320 0.001 0.000 0.215 11 A C 2.341 179.913 177.584 -0.021 0.000 1.186 11 A CA 0.880 52.913 52.037 -0.006 0.000 0.616 11 A CB -0.723 18.272 19.000 -0.008 0.000 0.823 11 A HN 0.214 nan 8.150 nan 0.000 0.442 12 I N -0.062 120.482 120.570 -0.043 0.000 2.194 12 I HA -0.287 3.884 4.170 0.001 0.000 0.246 12 I C 2.191 178.280 176.117 -0.045 0.000 1.093 12 I CA 1.219 62.486 61.300 -0.055 0.000 1.355 12 I CB -0.321 37.626 38.000 -0.088 0.000 1.046 12 I HN 0.277 nan 8.210 nan 0.000 0.413 13 L N 0.242 121.443 121.223 -0.037 0.000 2.353 13 L HA -0.142 4.199 4.340 0.001 0.000 0.220 13 L C 1.272 178.141 176.870 -0.003 0.000 1.133 13 L CA 0.675 55.506 54.840 -0.016 0.000 0.798 13 L CB -0.432 41.634 42.059 0.013 0.000 0.922 13 L HN 0.219 nan 8.230 nan 0.000 0.445 14 E N 0.724 120.922 120.200 -0.002 0.000 2.424 14 E HA 0.026 4.377 4.350 0.001 0.000 0.237 14 E C -0.564 176.033 176.600 -0.006 0.000 1.381 14 E CA 0.128 56.529 56.400 0.001 0.000 1.587 14 E CB -0.364 29.339 29.700 0.005 0.000 1.398 14 E HN 0.318 nan 8.360 nan 0.000 0.439 15 D N 0.405 120.798 120.400 -0.012 0.000 2.198 15 D HA 0.117 4.758 4.640 0.001 0.000 0.245 15 D C -1.316 174.978 176.300 -0.011 0.000 1.079 15 D CA -2.094 51.896 54.000 -0.017 0.000 0.854 15 D CB 1.462 42.245 40.800 -0.030 0.000 1.148 15 D HN -0.139 nan 8.370 nan 0.000 0.456 16 P HA -0.223 nan 4.420 nan 0.000 0.219 16 P C 0.773 178.073 177.300 0.001 0.000 1.144 16 P CA 0.831 63.931 63.100 -0.001 0.000 0.806 16 P CB 0.073 31.772 31.700 -0.002 0.000 0.771 17 A N -0.620 122.193 122.820 -0.011 0.000 2.119 17 A HA -0.021 4.300 4.320 0.001 0.000 0.217 17 A C 1.890 179.468 177.584 -0.010 0.000 1.153 17 A CA 0.772 52.798 52.037 -0.017 0.000 0.692 17 A CB -1.005 17.965 19.000 -0.051 0.000 0.799 17 A HN 0.209 nan 8.150 nan 0.000 0.458 18 L N 0.108 121.328 121.223 -0.005 0.000 2.984 18 L HA 0.224 4.565 4.340 0.001 0.000 0.246 18 L C -0.213 176.680 176.870 0.038 0.000 1.268 18 L CA -0.435 54.415 54.840 0.018 0.000 1.054 18 L CB 0.133 42.190 42.059 -0.003 0.000 1.393 18 L HN 0.124 nan 8.230 nan 0.000 0.532 19 E N 1.291 121.514 120.200 0.039 0.000 2.328 19 E HA 0.255 4.605 4.350 0.001 0.000 0.265 19 E C 1.080 177.706 176.600 0.043 0.000 1.057 19 E CA 0.739 57.160 56.400 0.035 0.000 0.916 19 E CB 0.415 30.133 29.700 0.030 0.000 0.993 19 E HN 0.383 nan 8.360 nan 0.000 0.446 20 G N 2.863 111.685 108.800 0.036 0.000 2.246 20 G HA2 -0.132 3.829 3.960 0.001 0.000 0.273 20 G HA3 -0.132 3.829 3.960 0.001 0.000 0.273 20 G C 0.182 175.107 174.900 0.043 0.000 1.055 20 G CA 0.239 45.359 45.100 0.034 0.000 0.851 20 G HN 0.724 nan 8.290 nan 0.000 0.500 21 A N -1.370 121.483 122.820 0.055 0.000 2.344 21 A HA 0.958 5.279 4.320 0.001 0.000 0.307 21 A C -0.047 177.572 177.584 0.059 0.000 1.151 21 A CA -0.190 51.890 52.037 0.072 0.000 0.842 21 A CB 1.905 20.979 19.000 0.123 0.000 1.350 21 A HN 1.339 nan 8.150 nan 0.000 0.459 22 V N 0.649 120.602 119.914 0.065 0.000 2.417 22 V HA 0.623 4.744 4.120 0.001 0.000 0.291 22 V C -0.119 176.013 176.094 0.065 0.000 1.024 22 V CA -0.422 61.911 62.300 0.055 0.000 0.861 22 V CB 1.153 33.003 31.823 0.046 0.000 0.985 22 V HN 0.718 nan 8.190 nan 0.000 0.436 23 S N 2.672 118.408 115.700 0.060 0.000 2.605 23 S HA 0.658 5.129 4.470 0.001 0.000 0.308 23 S C 0.320 174.963 174.600 0.071 0.000 1.113 23 S CA -0.530 57.708 58.200 0.063 0.000 1.049 23 S CB 1.732 64.965 63.200 0.054 0.000 1.001 23 S HN 1.121 nan 8.310 nan 0.000 0.480 24 G N 1.730 110.573 108.800 0.072 0.000 2.350 24 G HA2 0.532 4.492 3.960 0.001 0.000 0.306 24 G HA3 0.532 4.492 3.960 0.001 0.000 0.306 24 G C -0.813 174.147 174.900 0.101 0.000 1.094 24 G CA -0.358 44.789 45.100 0.080 0.000 0.953 24 G HN 0.591 nan 8.290 nan 0.000 0.420 25 V N 3.605 123.603 119.914 0.140 0.000 2.462 25 V HA 0.362 4.483 4.120 0.001 0.000 0.288 25 V C -0.444 175.799 176.094 0.249 0.000 1.020 25 V CA -0.645 61.767 62.300 0.187 0.000 0.857 25 V CB 1.578 33.526 31.823 0.208 0.000 1.013 25 V HN 0.540 nan 8.190 nan 0.000 0.431 26 V N 5.296 125.324 119.914 0.191 0.000 2.588 26 V HA 0.624 4.745 4.120 0.001 0.000 0.304 26 V C -0.421 175.780 176.094 0.178 0.000 1.042 26 V CA -0.680 61.726 62.300 0.177 0.000 0.877 26 V CB 2.269 34.154 31.823 0.104 0.000 0.996 26 V HN 0.545 nan 8.190 nan 0.000 0.425 27 V N 5.151 125.174 119.914 0.182 0.000 2.487 27 V HA 0.620 4.741 4.120 0.001 0.000 0.298 27 V C -0.449 175.709 176.094 0.107 0.000 1.028 27 V CA -0.543 61.844 62.300 0.144 0.000 0.860 27 V CB 1.987 33.863 31.823 0.089 0.000 0.991 27 V HN 0.602 nan 8.190 nan 0.000 0.427 28 V N 3.124 123.100 119.914 0.103 0.000 2.735 28 V HA 0.445 4.566 4.120 0.001 0.000 0.310 28 V C -0.687 175.469 176.094 0.104 0.000 1.061 28 V CA -0.640 61.713 62.300 0.087 0.000 0.913 28 V CB 2.357 34.225 31.823 0.074 0.000 1.005 28 V HN 0.920 nan 8.190 nan 0.000 0.428 29 D N 2.599 123.058 120.400 0.099 0.000 2.317 29 D HA 0.129 4.770 4.640 0.001 0.000 0.252 29 D C 1.180 177.541 176.300 0.100 0.000 1.174 29 D CA 0.268 54.337 54.000 0.115 0.000 0.866 29 D CB 2.000 42.869 40.800 0.116 0.000 1.127 29 D HN 0.751 nan 8.370 nan 0.000 0.467 30 T N 0.981 115.603 114.554 0.113 0.000 3.067 30 T HA 0.130 4.480 4.350 0.001 0.000 0.257 30 T C 1.707 176.448 174.700 0.068 0.000 1.105 30 T CA 0.520 62.680 62.100 0.099 0.000 1.104 30 T CB 0.190 69.140 68.868 0.135 0.000 0.925 30 T HN 0.292 nan 8.240 nan 0.000 0.498 31 A N 2.173 125.033 122.820 0.066 0.000 1.968 31 A HA 0.065 4.386 4.320 0.001 0.000 0.217 31 A C 2.547 180.155 177.584 0.039 0.000 1.169 31 A CA 1.784 53.848 52.037 0.046 0.000 0.638 31 A CB -0.827 18.201 19.000 0.046 0.000 0.812 31 A HN 0.683 nan 8.150 nan 0.000 0.446 32 T N -6.495 108.087 114.554 0.047 0.000 2.959 32 T HA 0.429 4.780 4.350 0.001 0.000 0.254 32 T C 1.354 176.077 174.700 0.039 0.000 1.003 32 T CA 1.101 63.225 62.100 0.040 0.000 0.950 32 T CB 0.371 69.266 68.868 0.045 0.000 1.090 32 T HN 1.710 nan 8.240 nan 0.000 0.503 33 G N 1.494 110.322 108.800 0.046 0.000 2.143 33 G HA2 -0.256 3.705 3.960 0.001 0.000 0.249 33 G HA3 -0.256 3.705 3.960 0.001 0.000 0.249 33 G C -0.209 174.717 174.900 0.044 0.000 0.981 33 G CA 0.258 45.384 45.100 0.043 0.000 0.665 33 G HN 0.814 nan 8.290 nan 0.000 0.528 34 E N 0.678 120.909 120.200 0.052 0.000 2.290 34 E HA 0.314 4.665 4.350 0.001 0.000 0.277 34 E C 0.153 176.784 176.600 0.052 0.000 1.035 34 E CA -0.385 56.045 56.400 0.051 0.000 0.873 34 E CB 0.303 30.039 29.700 0.059 0.000 1.029 34 E HN 0.405 nan 8.360 nan 0.000 0.419 35 E N 4.835 125.059 120.200 0.040 0.000 2.070 35 E HA 0.032 4.383 4.350 0.001 0.000 0.282 35 E C 0.617 177.237 176.600 0.034 0.000 1.104 35 E CA -0.134 56.288 56.400 0.037 0.000 0.876 35 E CB 0.514 30.227 29.700 0.021 0.000 1.055 35 E HN 0.643 nan 8.360 nan 0.000 0.401 36 L N 4.573 125.821 121.223 0.042 0.000 2.270 36 L HA 0.095 4.435 4.340 0.001 0.000 0.210 36 L C 0.199 177.120 176.870 0.086 0.000 1.104 36 L CA 0.382 55.233 54.840 0.017 0.000 0.804 36 L CB 0.144 42.162 42.059 -0.069 0.000 0.937 36 L HN 0.544 nan 8.230 nan 0.000 0.450 37 Y N -1.145 119.127 120.300 -0.047 0.000 2.521 37 Y HA 0.440 4.991 4.550 0.001 0.000 0.328 37 Y C -1.091 174.802 175.900 -0.012 0.000 1.151 37 Y CA -0.925 57.153 58.100 -0.038 0.000 1.054 37 Y CB 1.868 40.295 38.460 -0.056 0.000 1.338 37 Y HN -0.273 nan 8.280 nan 0.000 0.453 38 S N 5.553 121.015 115.700 -0.396 0.000 2.614 38 S HA 0.685 5.156 4.470 0.001 0.000 0.275 38 S C -1.925 172.474 174.600 -0.336 0.000 1.161 38 S CA -0.677 57.402 58.200 -0.203 0.000 0.969 38 S CB 0.978 64.114 63.200 -0.107 0.000 1.059 38 S HN 0.812 nan 8.310 nan 0.000 0.482 39 R N 3.352 123.788 120.500 -0.107 0.000 2.510 39 R HA 0.322 4.663 4.340 0.001 0.000 0.287 39 R C -1.082 175.232 176.300 0.023 0.000 1.084 39 R CA -0.278 55.789 56.100 -0.055 0.000 0.934 39 R CB 0.709 31.020 30.300 0.019 0.000 1.201 39 R HN 0.760 nan 8.270 nan 0.000 0.431 40 D N 3.039 123.442 120.400 0.005 0.000 2.751 40 D HA -0.163 4.478 4.640 0.001 0.000 0.233 40 D C 0.711 177.030 176.300 0.031 0.000 1.149 40 D CA 1.415 55.427 54.000 0.020 0.000 0.682 40 D CB -0.539 40.280 40.800 0.032 0.000 1.068 40 D HN 0.918 nan 8.370 nan 0.000 0.429 41 G N -0.031 108.785 108.800 0.026 0.000 2.598 41 G HA2 0.067 4.028 3.960 0.001 0.000 0.215 41 G HA3 0.067 4.028 3.960 0.001 0.000 0.215 41 G C 1.507 176.426 174.900 0.032 0.000 1.131 41 G CA 0.803 45.925 45.100 0.037 0.000 0.785 41 G HN 0.426 nan 8.290 nan 0.000 0.539 42 G N -0.442 108.371 108.800 0.021 0.000 2.939 42 G HA2 0.219 4.180 3.960 0.001 0.000 0.210 42 G HA3 0.219 4.180 3.960 0.001 0.000 0.210 42 G C 0.410 175.321 174.900 0.018 0.000 1.160 42 G CA -0.201 44.909 45.100 0.018 0.000 0.770 42 G HN 0.394 nan 8.290 nan 0.000 0.543 43 E N 0.687 120.899 120.200 0.021 0.000 2.313 43 E HA 0.317 4.668 4.350 0.001 0.000 0.276 43 E C 0.050 176.663 176.600 0.022 0.000 1.031 43 E CA -0.176 56.236 56.400 0.020 0.000 0.857 43 E CB 0.547 30.261 29.700 0.023 0.000 1.040 43 E HN 0.205 nan 8.360 nan 0.000 0.408 44 Q N 3.176 122.985 119.800 0.015 0.000 2.314 44 Q HA 0.369 4.710 4.340 0.001 0.000 0.257 44 Q C -0.689 175.321 176.000 0.016 0.000 0.975 44 Q CA -0.073 55.736 55.803 0.011 0.000 0.933 44 Q CB 0.715 29.454 28.738 0.002 0.000 1.195 44 Q HN 0.417 nan 8.270 nan 0.000 0.426 45 L N 2.297 123.533 121.223 0.021 0.000 2.333 45 L HA 0.513 4.854 4.340 0.001 0.000 0.263 45 L C -0.518 176.366 176.870 0.024 0.000 1.014 45 L CA -1.100 53.757 54.840 0.027 0.000 0.820 45 L CB 1.570 43.653 42.059 0.040 0.000 1.352 45 L HN 0.413 nan 8.230 nan 0.000 0.421 46 L N 3.200 124.436 121.223 0.022 0.000 2.410 46 L HA 0.185 4.526 4.340 0.001 0.000 0.273 46 L C -1.452 175.435 176.870 0.028 0.000 1.144 46 L CA -1.130 53.720 54.840 0.018 0.000 0.863 46 L CB 0.653 42.716 42.059 0.006 0.000 1.140 46 L HN 0.437 nan 8.230 nan 0.000 0.463 47 P HA 0.039 nan 4.420 nan 0.000 0.245 47 P C 0.752 178.071 177.300 0.032 0.000 1.199 47 P CA 0.849 63.982 63.100 0.055 0.000 0.807 47 P CB 0.761 32.521 31.700 0.100 0.000 1.002 48 A N 0.769 123.593 122.820 0.007 0.000 5.584 48 A HA -0.271 4.050 4.320 0.001 0.000 0.303 48 A C 1.768 179.350 177.584 -0.003 0.000 1.923 48 A CA 1.788 53.811 52.037 -0.023 0.000 0.717 48 A CB -2.435 16.537 19.000 -0.046 0.000 1.281 48 A HN 0.190 nan 8.150 nan 0.000 0.379 49 S N 0.780 116.462 115.700 -0.029 0.000 2.595 49 S HA -0.065 4.406 4.470 0.001 0.000 0.235 49 S C 1.285 175.877 174.600 -0.014 0.000 0.974 49 S CA 1.197 59.384 58.200 -0.022 0.000 0.942 49 S CB -0.649 62.514 63.200 -0.062 0.000 0.766 49 S HN 0.619 nan 8.310 nan 0.000 0.536 50 N N 1.368 120.070 118.700 0.003 0.000 2.520 50 N HA 0.021 4.762 4.740 0.001 0.000 0.185 50 N C 1.396 176.982 175.510 0.126 0.000 1.068 50 N CA 0.389 53.450 53.050 0.017 0.000 0.911 50 N CB -0.275 38.226 38.487 0.023 0.000 0.961 50 N HN 0.309 nan 8.380 nan 0.000 0.446 51 M N 0.726 120.431 119.600 0.175 0.000 2.229 51 M HA -0.016 4.465 4.480 0.001 0.000 0.264 51 M C 1.327 177.808 176.300 0.301 0.000 1.063 51 M CA 1.503 56.983 55.300 0.301 0.000 1.114 51 M CB 0.038 32.753 32.600 0.192 0.000 1.387 51 M HN -0.128 nan 8.290 nan 0.000 0.420 52 K N -0.249 120.255 120.400 0.174 0.000 2.281 52 K HA -0.107 4.214 4.320 0.001 0.000 0.203 52 K C 1.792 178.460 176.600 0.113 0.000 1.046 52 K CA 1.034 57.415 56.287 0.156 0.000 0.938 52 K CB -0.367 32.119 32.500 -0.023 0.000 0.737 52 K HN 0.415 nan 8.250 nan 0.000 0.458 53 L N -0.403 120.847 121.223 0.046 0.000 2.017 53 L HA -0.188 4.153 4.340 0.001 0.000 0.208 53 L C 2.038 178.988 176.870 0.133 0.000 1.073 53 L CA 1.484 56.338 54.840 0.024 0.000 0.745 53 L CB -0.433 41.534 42.059 -0.153 0.000 0.894 53 L HN 0.135 nan 8.230 nan 0.000 0.432 54 F N -0.324 119.749 119.950 0.205 0.000 2.171 54 F HA -0.217 4.311 4.527 0.001 0.000 0.300 54 F C 2.624 178.527 175.800 0.170 0.000 1.090 54 F CA 1.561 59.663 58.000 0.170 0.000 1.293 54 F CB -0.909 38.161 39.000 0.116 0.000 1.013 54 F HN 0.022 nan 8.300 nan 0.000 0.486 55 T N -0.382 114.386 114.554 0.357 0.000 2.812 55 T HA -0.084 4.267 4.350 0.001 0.000 0.264 55 T C 2.307 177.168 174.700 0.270 0.000 1.042 55 T CA 1.127 63.402 62.100 0.293 0.000 1.140 55 T CB -0.555 68.513 68.868 0.333 0.000 0.870 55 T HN 0.284 nan 8.240 nan 0.000 0.445 56 A N 1.407 124.432 122.820 0.343 0.000 1.933 56 A HA 0.146 4.467 4.320 0.001 0.000 0.218 56 A C 2.569 180.252 177.584 0.165 0.000 1.175 56 A CA 1.827 54.070 52.037 0.344 0.000 0.628 56 A CB -0.956 18.261 19.000 0.363 0.000 0.814 56 A HN 0.500 nan 8.150 nan 0.000 0.444 57 A N -0.232 122.681 122.820 0.155 0.000 1.897 57 A HA 0.259 4.580 4.320 0.001 0.000 0.215 57 A C 2.514 180.003 177.584 -0.158 0.000 1.181 57 A CA 1.809 53.733 52.037 -0.189 0.000 0.620 57 A CB -1.040 17.894 19.000 -0.109 0.000 0.821 57 A HN 1.005 nan 8.150 nan 0.000 0.443 58 A N 0.209 123.038 122.820 0.015 0.000 1.865 58 A HA 0.067 4.387 4.320 0.001 0.000 0.217 58 A C 2.546 180.108 177.584 -0.036 0.000 1.191 58 A CA 2.487 54.538 52.037 0.024 0.000 0.623 58 A CB -1.240 17.808 19.000 0.079 0.000 0.826 58 A HN 1.153 nan 8.150 nan 0.000 0.444 59 A N -0.482 122.322 122.820 -0.027 0.000 1.917 59 A HA -0.143 4.178 4.320 0.001 0.000 0.219 59 A C 2.215 179.716 177.584 -0.137 0.000 1.182 59 A CA 1.768 53.776 52.037 -0.049 0.000 0.633 59 A CB -0.686 18.319 19.000 0.009 0.000 0.819 59 A HN 0.498 nan 8.150 nan 0.000 0.448 60 L N -0.867 120.181 121.223 -0.291 0.000 2.056 60 L HA -0.166 4.175 4.340 0.001 0.000 0.207 60 L C 2.759 179.414 176.870 -0.358 0.000 1.078 60 L CA 1.339 55.880 54.840 -0.499 0.000 0.749 60 L CB -0.441 40.899 42.059 -1.198 0.000 0.901 60 L HN 0.386 nan 8.230 nan 0.000 0.433 61 E N -0.294 119.769 120.200 -0.230 0.000 2.028 61 E HA -0.158 4.193 4.350 0.001 0.000 0.191 61 E C 2.341 178.948 176.600 0.013 0.000 0.988 61 E CA 1.269 57.695 56.400 0.043 0.000 0.799 61 E CB -0.269 29.508 29.700 0.129 0.000 0.755 61 E HN 0.273 nan 8.360 nan 0.000 0.447 62 V N 1.425 121.322 119.914 -0.028 0.000 2.270 62 V HA -0.209 3.911 4.120 0.001 0.000 0.245 62 V C 2.438 178.484 176.094 -0.080 0.000 1.043 62 V CA 1.458 63.736 62.300 -0.037 0.000 1.014 62 V CB -0.370 31.430 31.823 -0.039 0.000 0.645 62 V HN 0.167 nan 8.190 nan 0.000 0.447 63 L N -0.790 120.352 121.223 -0.135 0.000 2.253 63 L HA 0.475 4.815 4.340 0.001 0.000 0.205 63 L C 1.113 177.911 176.870 -0.119 0.000 1.078 63 L CA 0.777 55.461 54.840 -0.260 0.000 0.805 63 L CB -0.437 41.370 42.059 -0.419 0.000 0.963 63 L HN 0.537 nan 8.230 nan 0.000 0.459 64 G N -0.676 108.087 108.800 -0.062 0.000 2.675 64 G HA2 -0.068 3.893 3.960 0.001 0.000 0.686 64 G HA3 -0.068 3.893 3.960 0.001 0.000 0.686 64 G C 0.408 175.322 174.900 0.022 0.000 1.215 64 G CA -0.367 44.737 45.100 0.007 0.000 0.777 64 G HN 0.183 nan 8.290 nan 0.000 0.638 65 A N 0.150 123.000 122.820 0.050 0.000 2.125 65 A HA 0.178 4.498 4.320 0.001 0.000 0.219 65 A C 1.749 179.377 177.584 0.074 0.000 1.156 65 A CA 2.260 54.340 52.037 0.071 0.000 0.671 65 A CB -0.187 18.885 19.000 0.120 0.000 0.794 65 A HN 1.421 nan 8.150 nan 0.000 0.459 66 D N -2.095 118.343 120.400 0.064 0.000 2.462 66 D HA 0.095 4.735 4.640 0.001 0.000 0.221 66 D C 0.157 176.460 176.300 0.005 0.000 1.173 66 D CA -0.490 53.532 54.000 0.036 0.000 0.831 66 D CB -0.989 39.827 40.800 0.027 0.000 1.001 66 D HN 0.476 nan 8.370 nan 0.000 0.499 67 H N 1.221 120.235 119.070 -0.095 0.000 2.732 67 H HA 0.401 4.958 4.556 0.001 0.000 0.351 67 H C 0.092 175.250 175.328 -0.283 0.000 1.090 67 H CA 0.276 56.198 56.048 -0.209 0.000 1.431 67 H CB 0.886 30.497 29.762 -0.252 0.000 1.447 67 H HN 0.103 nan 8.280 nan 0.000 0.582 68 S N 3.146 118.339 115.700 -0.846 0.000 2.661 68 S HA 0.619 5.090 4.470 0.001 0.000 0.285 68 S C -1.409 172.650 174.600 -0.901 0.000 1.138 68 S CA -0.962 56.877 58.200 -0.603 0.000 0.855 68 S CB 1.424 64.435 63.200 -0.315 0.000 1.136 68 S HN 0.390 nan 8.310 nan 0.000 0.484 69 F N 0.086 119.879 119.950 -0.261 0.000 2.529 69 F HA 0.731 5.259 4.527 0.001 0.000 0.320 69 F C 0.795 176.447 175.800 -0.247 0.000 1.118 69 F CA -0.410 57.455 58.000 -0.225 0.000 0.915 69 F CB 2.333 41.250 39.000 -0.138 0.000 1.161 69 F HN 0.989 nan 8.300 nan 0.000 0.445 70 G N 0.768 109.493 108.800 -0.125 0.000 2.417 70 G HA2 0.665 4.626 3.960 0.001 0.000 0.334 70 G HA3 0.665 4.626 3.960 0.001 0.000 0.334 70 G C -1.222 173.586 174.900 -0.154 0.000 1.150 70 G CA -0.579 44.422 45.100 -0.166 0.000 0.923 70 G HN 0.529 nan 8.290 nan 0.000 0.485 71 T N 0.702 115.195 114.554 -0.101 0.000 2.909 71 T HA 0.618 4.969 4.350 0.001 0.000 0.299 71 T C -0.872 173.781 174.700 -0.078 0.000 1.073 71 T CA -0.537 61.507 62.100 -0.094 0.000 0.999 71 T CB 2.395 71.238 68.868 -0.043 0.000 1.098 71 T HN 0.557 nan 8.240 nan 0.000 0.477 72 E N 0.754 120.894 120.200 -0.099 0.000 2.390 72 E HA 0.631 4.982 4.350 0.001 0.000 0.277 72 E C -1.475 175.082 176.600 -0.071 0.000 0.939 72 E CA -0.856 55.504 56.400 -0.068 0.000 0.769 72 E CB 2.568 32.232 29.700 -0.060 0.000 1.251 72 E HN 0.285 nan 8.360 nan 0.000 0.450 73 V N 0.979 120.882 119.914 -0.018 0.000 2.555 73 V HA 0.848 4.969 4.120 0.001 0.000 0.302 73 V C -0.665 175.494 176.094 0.109 0.000 1.038 73 V CA -0.588 61.734 62.300 0.036 0.000 0.887 73 V CB 1.448 33.318 31.823 0.079 0.000 0.991 73 V HN 0.752 nan 8.190 nan 0.000 0.434 74 A N 3.183 126.118 122.820 0.193 0.000 2.455 74 A HA 0.991 5.312 4.320 0.001 0.000 0.300 74 A C -0.486 177.316 177.584 0.362 0.000 1.040 74 A CA -0.099 52.081 52.037 0.238 0.000 0.697 74 A CB 1.859 20.996 19.000 0.229 0.000 1.265 74 A HN 1.442 nan 8.150 nan 0.000 0.407 75 A N 0.525 123.470 122.820 0.209 0.000 2.346 75 A HA 0.735 5.056 4.320 0.001 0.000 0.313 75 A C 0.719 178.065 177.584 -0.397 0.000 1.140 75 A CA 0.205 52.272 52.037 0.051 0.000 0.826 75 A CB 0.937 19.944 19.000 0.012 0.000 1.332 75 A HN 1.019 nan 8.150 nan 0.000 0.457 76 E N -0.129 119.487 120.200 -0.973 0.000 2.150 76 E HA -0.032 4.319 4.350 0.001 0.000 0.193 76 E C 0.439 176.713 176.600 -0.544 0.000 0.985 76 E CA 1.420 57.040 56.400 -1.300 0.000 0.814 76 E CB 0.043 28.907 29.700 -1.395 0.000 0.752 76 E HN 0.739 nan 8.360 nan 0.000 0.466 77 S N -1.512 113.989 115.700 -0.332 0.000 2.615 77 S HA 0.671 5.141 4.470 0.001 0.000 0.269 77 S C -0.557 173.977 174.600 -0.110 0.000 1.161 77 S CA -0.761 57.332 58.200 -0.178 0.000 0.817 77 S CB 1.069 64.177 63.200 -0.153 0.000 1.131 77 S HN 0.267 nan 8.310 nan 0.000 0.467 78 A N 1.971 124.750 122.820 -0.068 0.000 2.547 78 A HA 0.528 4.849 4.320 0.001 0.000 0.233 78 A C -2.006 175.557 177.584 -0.036 0.000 1.067 78 A CA -0.576 51.438 52.037 -0.039 0.000 0.763 78 A CB -1.125 17.858 19.000 -0.028 0.000 1.007 78 A HN 0.703 nan 8.150 nan 0.000 0.506 79 P HA 0.127 nan 4.420 nan 0.000 0.267 79 P C 0.779 178.067 177.300 -0.019 0.000 1.200 79 P CA 0.554 63.644 63.100 -0.017 0.000 0.772 79 P CB 0.279 31.975 31.700 -0.006 0.000 0.855 80 G N 2.053 110.841 108.800 -0.019 0.000 2.418 80 G HA2 -0.054 3.907 3.960 0.001 0.000 0.276 80 G HA3 -0.054 3.907 3.960 0.001 0.000 0.276 80 G C 0.777 175.669 174.900 -0.013 0.000 1.442 80 G CA -0.182 44.908 45.100 -0.018 0.000 1.066 80 G HN 0.516 nan 8.290 nan 0.000 0.553 81 R N -1.646 118.847 120.500 -0.012 0.000 2.397 81 R HA 0.233 4.574 4.340 0.001 0.000 0.241 81 R C 1.944 178.239 176.300 -0.008 0.000 0.914 81 R CA -0.174 55.920 56.100 -0.010 0.000 1.071 81 R CB 0.271 30.566 30.300 -0.009 0.000 1.116 81 R HN 0.354 nan 8.270 nan 0.000 0.524 82 R N -0.487 120.008 120.500 -0.008 0.000 2.480 82 R HA 0.125 4.466 4.340 0.001 0.000 0.277 82 R C 0.226 176.522 176.300 -0.007 0.000 1.008 82 R CA 0.626 56.722 56.100 -0.007 0.000 1.090 82 R CB 0.319 30.616 30.300 -0.006 0.000 1.234 82 R HN 0.289 nan 8.270 nan 0.000 0.549 83 G N 0.753 109.549 108.800 -0.007 0.000 2.225 83 G HA2 -0.308 3.653 3.960 0.001 0.000 0.267 83 G HA3 -0.308 3.653 3.960 0.001 0.000 0.267 83 G C -0.331 174.565 174.900 -0.005 0.000 1.024 83 G CA 0.522 45.618 45.100 -0.007 0.000 0.784 83 G HN 0.480 nan 8.290 nan 0.000 0.507 84 E N -1.401 118.796 120.200 -0.005 0.000 2.227 84 E HA 0.737 5.088 4.350 0.001 0.000 0.268 84 E C -0.458 176.141 176.600 -0.001 0.000 0.990 84 E CA -0.888 55.511 56.400 -0.002 0.000 0.856 84 E CB 2.686 32.385 29.700 -0.001 0.000 1.159 84 E HN 0.103 nan 8.360 nan 0.000 0.401 85 V N 1.346 121.264 119.914 0.008 0.000 3.147 85 V HA 0.035 4.155 4.120 0.001 0.000 0.306 85 V C 0.010 176.123 176.094 0.031 0.000 1.209 85 V CA -0.487 61.821 62.300 0.013 0.000 1.023 85 V CB 2.203 34.043 31.823 0.027 0.000 1.059 85 V HN 0.642 nan 8.190 nan 0.000 0.435 86 Q N 1.488 121.313 119.800 0.041 0.000 1.865 86 Q HA 0.235 4.576 4.340 0.001 0.000 0.268 86 Q C -0.248 175.834 176.000 0.138 0.000 0.961 86 Q CA 1.156 57.006 55.803 0.078 0.000 0.870 86 Q CB 0.072 28.856 28.738 0.077 0.000 0.929 86 Q HN 0.792 nan 8.270 nan 0.000 0.450 87 D N -0.270 120.274 120.400 0.241 0.000 2.181 87 D HA 0.456 5.097 4.640 0.001 0.000 0.248 87 D C -1.178 175.364 176.300 0.404 0.000 1.020 87 D CA -0.352 53.851 54.000 0.339 0.000 0.891 87 D CB 1.502 42.621 40.800 0.533 0.000 1.187 87 D HN 0.174 nan 8.370 nan 0.000 0.443 88 L N 1.958 123.352 121.223 0.284 0.000 2.386 88 L HA 0.472 4.813 4.340 0.001 0.000 0.271 88 L C -1.849 175.133 176.870 0.186 0.000 0.993 88 L CA -0.645 54.378 54.840 0.305 0.000 0.819 88 L CB 1.425 43.610 42.059 0.209 0.000 1.294 88 L HN 0.291 nan 8.230 nan 0.000 0.414 89 Y N 4.604 125.045 120.300 0.236 0.000 2.338 89 Y HA 0.562 5.112 4.550 0.001 0.000 0.333 89 Y C -0.714 175.202 175.900 0.027 0.000 0.968 89 Y CA -0.616 57.571 58.100 0.145 0.000 1.123 89 Y CB 2.001 40.517 38.460 0.092 0.000 1.165 89 Y HN 0.457 nan 8.280 nan 0.000 0.452 90 L N 5.300 126.550 121.223 0.046 0.000 2.257 90 L HA 0.687 5.028 4.340 0.001 0.000 0.290 90 L C -1.255 175.576 176.870 -0.066 0.000 1.044 90 L CA -0.435 54.315 54.840 -0.151 0.000 0.810 90 L CB 0.604 42.423 42.059 -0.401 0.000 1.193 90 L HN 0.399 nan 8.230 nan 0.000 0.425 91 V N 5.321 125.189 119.914 -0.078 0.000 2.378 91 V HA 0.678 4.799 4.120 0.001 0.000 0.288 91 V C 0.678 176.698 176.094 -0.124 0.000 1.016 91 V CA -0.391 61.870 62.300 -0.064 0.000 0.840 91 V CB 1.105 32.897 31.823 -0.053 0.000 0.994 91 V HN 0.888 nan 8.190 nan 0.000 0.431 92 G N 3.629 112.354 108.800 -0.126 0.000 2.367 92 G HA2 0.603 4.564 3.960 0.001 0.000 0.314 92 G HA3 0.603 4.564 3.960 0.001 0.000 0.314 92 G C 0.010 174.746 174.900 -0.274 0.000 1.130 92 G CA -0.641 44.353 45.100 -0.176 0.000 0.864 92 G HN 0.664 nan 8.290 nan 0.000 0.486 93 R N 1.227 121.500 120.500 -0.379 0.000 2.776 93 R HA 0.323 4.664 4.340 0.001 0.000 0.391 93 R C 0.917 176.998 176.300 -0.366 0.000 1.116 93 R CA 0.138 55.809 56.100 -0.716 0.000 1.056 93 R CB 0.974 30.659 30.300 -1.026 0.000 1.369 93 R HN 1.020 nan 8.270 nan 0.000 0.590 94 G N 1.126 109.721 108.800 -0.342 0.000 2.132 94 G HA2 -0.246 3.715 3.960 0.001 0.000 0.228 94 G HA3 -0.246 3.715 3.960 0.001 0.000 0.228 94 G C -0.324 174.359 174.900 -0.362 0.000 1.000 94 G CA -0.029 44.916 45.100 -0.259 0.000 0.693 94 G HN 0.417 nan 8.290 nan 0.000 0.515 95 D N 0.687 120.920 120.400 -0.278 0.000 2.346 95 D HA 0.388 5.029 4.640 0.001 0.000 0.260 95 D C -0.532 175.566 176.300 -0.337 0.000 1.252 95 D CA -1.786 52.010 54.000 -0.341 0.000 0.895 95 D CB 1.132 41.869 40.800 -0.105 0.000 1.097 95 D HN 0.187 nan 8.370 nan 0.000 0.489 96 P HA 0.031 nan 4.420 nan 0.000 0.241 96 P C 0.417 177.574 177.300 -0.238 0.000 1.191 96 P CA 0.648 63.542 63.100 -0.343 0.000 0.771 96 P CB 0.247 31.547 31.700 -0.667 0.000 0.929 97 T N -3.777 110.576 114.554 -0.334 0.000 3.380 97 T HA 0.300 4.651 4.350 0.001 0.000 0.289 97 T C -0.076 174.546 174.700 -0.131 0.000 1.012 97 T CA -0.563 61.250 62.100 -0.478 0.000 0.944 97 T CB -0.798 67.405 68.868 -1.109 0.000 1.172 97 T HN -0.177 nan 8.240 nan 0.000 0.502 98 L N 3.864 125.080 121.223 -0.012 0.000 2.315 98 L HA 0.583 4.923 4.340 0.001 0.000 0.283 98 L C 0.415 177.328 176.870 0.073 0.000 1.089 98 L CA 0.060 54.920 54.840 0.033 0.000 0.833 98 L CB 0.594 42.656 42.059 0.005 0.000 1.170 98 L HN 0.517 nan 8.230 nan 0.000 0.442 99 S N 3.730 119.465 115.700 0.059 0.000 2.730 99 S HA 0.709 5.180 4.470 0.001 0.000 0.284 99 S C 1.103 175.715 174.600 0.020 0.000 1.153 99 S CA -0.210 58.032 58.200 0.071 0.000 0.995 99 S CB 1.453 64.712 63.200 0.098 0.000 1.058 99 S HN 0.782 nan 8.310 nan 0.000 0.552 100 A N 0.146 122.980 122.820 0.024 0.000 1.968 100 A HA 0.051 4.372 4.320 0.001 0.000 0.217 100 A C 2.017 179.602 177.584 0.002 0.000 1.169 100 A CA 1.342 53.391 52.037 0.020 0.000 0.638 100 A CB -1.086 17.926 19.000 0.021 0.000 0.812 100 A HN 0.965 nan 8.150 nan 0.000 0.446 101 E N -0.113 120.080 120.200 -0.011 0.000 2.153 101 E HA -0.197 4.154 4.350 0.001 0.000 0.194 101 E C 0.996 177.565 176.600 -0.052 0.000 0.988 101 E CA 1.243 57.629 56.400 -0.022 0.000 0.811 101 E CB 0.002 29.694 29.700 -0.014 0.000 0.746 101 E HN 0.539 nan 8.360 nan 0.000 0.466 102 D N 0.004 120.343 120.400 -0.101 0.000 2.194 102 D HA -0.091 4.549 4.640 0.001 0.000 0.204 102 D C 1.934 178.171 176.300 -0.106 0.000 0.964 102 D CA 0.591 54.450 54.000 -0.236 0.000 0.846 102 D CB -0.020 40.498 40.800 -0.469 0.000 0.962 102 D HN 0.240 nan 8.370 nan 0.000 0.490 103 L N 0.424 121.645 121.223 -0.003 0.000 2.156 103 L HA -0.129 4.211 4.340 0.001 0.000 0.208 103 L C 2.036 179.008 176.870 0.170 0.000 1.095 103 L CA 0.945 55.880 54.840 0.157 0.000 0.770 103 L CB -0.177 42.004 42.059 0.202 0.000 0.914 103 L HN -0.060 nan 8.230 nan 0.000 0.439 104 D N 0.023 120.453 120.400 0.050 0.000 2.117 104 D HA -0.149 4.492 4.640 0.001 0.000 0.198 104 D C 2.213 178.519 176.300 0.010 0.000 0.982 104 D CA 1.178 55.179 54.000 0.002 0.000 0.828 104 D CB 0.196 40.986 40.800 -0.016 0.000 0.967 104 D HN 0.227 nan 8.370 nan 0.000 0.464 105 A N -0.025 122.802 122.820 0.012 0.000 1.933 105 A HA -0.144 4.177 4.320 0.001 0.000 0.218 105 A C 2.251 179.867 177.584 0.053 0.000 1.175 105 A CA 1.253 53.300 52.037 0.017 0.000 0.628 105 A CB -0.560 18.438 19.000 -0.002 0.000 0.814 105 A HN 0.306 nan 8.150 nan 0.000 0.444 106 M N -0.892 118.769 119.600 0.103 0.000 2.200 106 M HA -0.069 4.411 4.480 0.001 0.000 0.265 106 M C 2.507 178.937 176.300 0.217 0.000 1.066 106 M CA 1.168 56.576 55.300 0.179 0.000 1.127 106 M CB -0.320 32.415 32.600 0.225 0.000 1.379 106 M HN 0.481 nan 8.290 nan 0.000 0.420 107 A N 0.397 123.308 122.820 0.152 0.000 1.972 107 A HA -0.038 4.283 4.320 0.001 0.000 0.219 107 A C 2.310 179.868 177.584 -0.043 0.000 1.169 107 A CA 1.817 53.805 52.037 -0.082 0.000 0.635 107 A CB -0.740 18.075 19.000 -0.310 0.000 0.810 107 A HN 0.493 nan 8.150 nan 0.000 0.446 108 A N -0.308 122.506 122.820 -0.010 0.000 1.929 108 A HA -0.110 4.211 4.320 0.001 0.000 0.216 108 A C 1.912 179.502 177.584 0.010 0.000 1.176 108 A CA 1.477 53.509 52.037 -0.009 0.000 0.628 108 A CB -0.412 18.585 19.000 -0.004 0.000 0.816 108 A HN 0.618 nan 8.150 nan 0.000 0.444 109 E N -0.356 119.865 120.200 0.034 0.000 2.072 109 E HA -0.116 4.235 4.350 0.001 0.000 0.191 109 E C 1.973 178.600 176.600 0.045 0.000 0.985 109 E CA 1.196 57.621 56.400 0.042 0.000 0.801 109 E CB -0.244 29.491 29.700 0.059 0.000 0.750 109 E HN 0.363 nan 8.360 nan 0.000 0.452 110 V N 1.379 121.332 119.914 0.064 0.000 2.332 110 V HA -0.319 3.801 4.120 0.001 0.000 0.248 110 V C 2.274 178.384 176.094 0.026 0.000 1.055 110 V CA 2.018 64.356 62.300 0.064 0.000 1.038 110 V CB -0.658 31.224 31.823 0.099 0.000 0.651 110 V HN 0.338 nan 8.190 nan 0.000 0.450 111 A N -0.207 122.615 122.820 0.003 0.000 1.872 111 A HA -0.033 4.288 4.320 0.001 0.000 0.214 111 A C 2.438 180.021 177.584 -0.002 0.000 1.187 111 A CA 1.740 53.771 52.037 -0.009 0.000 0.614 111 A CB -0.889 18.096 19.000 -0.025 0.000 0.826 111 A HN 0.589 nan 8.150 nan 0.000 0.442 112 A N 0.380 123.202 122.820 0.003 0.000 2.042 112 A HA -0.151 4.170 4.320 0.001 0.000 0.222 112 A C 2.314 179.901 177.584 0.006 0.000 1.167 112 A CA 2.378 54.417 52.037 0.004 0.000 0.649 112 A CB -0.842 18.163 19.000 0.008 0.000 0.809 112 A HN 1.109 nan 8.150 nan 0.000 0.457 113 S N -2.800 112.907 115.700 0.011 0.000 2.575 113 S HA 0.418 4.889 4.470 0.001 0.000 0.215 113 S C 1.245 175.848 174.600 0.005 0.000 0.966 113 S CA 0.998 59.204 58.200 0.010 0.000 0.911 113 S CB 0.101 63.312 63.200 0.017 0.000 0.780 113 S HN 1.863 nan 8.310 nan 0.000 0.514 114 G N 0.111 108.912 108.800 0.003 0.000 2.205 114 G HA2 -0.175 3.786 3.960 0.001 0.000 0.180 114 G HA3 -0.175 3.786 3.960 0.001 0.000 0.180 114 G C -0.102 174.797 174.900 -0.002 0.000 1.004 114 G CA -0.235 44.864 45.100 -0.001 0.000 0.670 114 G HN 0.562 nan 8.290 nan 0.000 0.496 115 V N 1.327 121.242 119.914 0.001 0.000 2.470 115 V HA 0.431 4.552 4.120 0.001 0.000 0.276 115 V C 1.497 177.585 176.094 -0.009 0.000 1.040 115 V CA 1.021 63.321 62.300 0.000 0.000 1.008 115 V CB 1.302 33.131 31.823 0.011 0.000 0.990 115 V HN 0.431 nan 8.190 nan 0.000 0.477 116 R N 2.594 123.088 120.500 -0.010 0.000 2.257 116 R HA 0.192 4.533 4.340 0.001 0.000 0.195 116 R C -0.039 176.251 176.300 -0.017 0.000 0.921 116 R CA 0.508 56.599 56.100 -0.016 0.000 1.069 116 R CB 0.770 31.062 30.300 -0.013 0.000 1.115 116 R HN 0.776 nan 8.270 nan 0.000 0.571 117 T N 0.287 114.835 114.554 -0.010 0.000 2.952 117 T HA 0.335 4.686 4.350 0.001 0.000 0.305 117 T C -1.120 173.580 174.700 0.000 0.000 1.064 117 T CA -0.593 61.501 62.100 -0.009 0.000 1.008 117 T CB 2.595 71.458 68.868 -0.007 0.000 1.078 117 T HN -0.218 nan 8.240 nan 0.000 0.459 118 V N 3.624 123.538 119.914 0.000 0.000 2.304 118 V HA 0.315 4.435 4.120 0.001 0.000 0.269 118 V C 1.406 177.507 176.094 0.011 0.000 1.036 118 V CA -0.521 61.788 62.300 0.015 0.000 0.840 118 V CB 0.799 32.632 31.823 0.016 0.000 1.036 118 V HN 0.752 nan 8.190 nan 0.000 0.466 119 R N 3.819 124.332 120.500 0.021 0.000 2.090 119 R HA 0.105 4.446 4.340 0.001 0.000 0.228 119 R C 1.440 177.756 176.300 0.026 0.000 1.110 119 R CA 1.358 57.470 56.100 0.019 0.000 0.973 119 R CB -0.240 30.073 30.300 0.022 0.000 0.869 119 R HN 0.793 nan 8.270 nan 0.000 0.440 120 G N -0.934 107.893 108.800 0.045 0.000 2.829 120 G HA2 0.129 4.090 3.960 0.001 0.000 0.173 120 G HA3 0.129 4.090 3.960 0.001 0.000 0.173 120 G C -0.733 174.173 174.900 0.010 0.000 1.476 120 G CA -0.432 44.701 45.100 0.056 0.000 1.072 120 G HN 0.180 nan 8.290 nan 0.000 0.577 121 D N -0.538 119.855 120.400 -0.010 0.000 2.268 121 D HA 0.396 5.037 4.640 0.001 0.000 0.249 121 D C -0.882 175.259 176.300 -0.266 0.000 1.008 121 D CA -0.348 53.532 54.000 -0.201 0.000 0.939 121 D CB 2.622 43.178 40.800 -0.408 0.000 1.170 121 D HN 0.125 nan 8.370 nan 0.000 0.468 122 L N 1.822 122.842 121.223 -0.339 0.000 2.265 122 L HA 0.303 4.644 4.340 0.001 0.000 0.289 122 L C -1.560 175.047 176.870 -0.438 0.000 1.033 122 L CA -0.340 54.347 54.840 -0.254 0.000 0.814 122 L CB 0.269 42.284 42.059 -0.072 0.000 1.203 122 L HN 0.220 nan 8.230 nan 0.000 0.423 123 Y N 3.666 123.764 120.300 -0.337 0.000 2.387 123 Y HA 0.713 5.264 4.550 0.001 0.000 0.336 123 Y C 0.400 176.179 175.900 -0.201 0.000 1.067 123 Y CA -0.702 57.181 58.100 -0.361 0.000 1.114 123 Y CB 1.863 39.869 38.460 -0.757 0.000 1.208 123 Y HN 0.700 nan 8.280 nan 0.000 0.458 124 A N 2.467 125.331 122.820 0.073 0.000 2.249 124 A HA 0.342 4.662 4.320 0.001 0.000 0.314 124 A C -1.051 176.590 177.584 0.095 0.000 1.290 124 A CA -0.568 51.502 52.037 0.053 0.000 0.893 124 A CB 0.153 19.170 19.000 0.027 0.000 1.165 124 A HN 0.661 nan 8.150 nan 0.000 0.530 125 D N 2.704 123.161 120.400 0.096 0.000 2.412 125 D HA 0.266 4.907 4.640 0.001 0.000 0.224 125 D C -0.561 175.763 176.300 0.039 0.000 1.093 125 D CA -0.173 53.888 54.000 0.101 0.000 0.850 125 D CB 1.129 42.014 40.800 0.142 0.000 1.046 125 D HN 0.551 nan 8.370 nan 0.000 0.507 126 D N 1.418 121.844 120.400 0.044 0.000 2.623 126 D HA -0.051 4.590 4.640 0.001 0.000 0.252 126 D C 0.982 177.321 176.300 0.065 0.000 1.294 126 D CA -0.200 53.817 54.000 0.029 0.000 0.824 126 D CB -0.318 40.495 40.800 0.023 0.000 1.070 126 D HN 0.278 nan 8.370 nan 0.000 0.487 127 T N -4.046 110.553 114.554 0.076 0.000 3.163 127 T HA -0.110 4.241 4.350 0.001 0.000 0.260 127 T C 1.350 176.130 174.700 0.133 0.000 1.156 127 T CA -0.171 61.978 62.100 0.081 0.000 1.072 127 T CB -0.788 68.106 68.868 0.044 0.000 0.937 127 T HN 0.404 nan 8.240 nan 0.000 0.528 128 W N 1.001 122.270 121.300 -0.052 0.000 2.402 128 W HA 0.125 4.786 4.660 0.001 0.000 0.286 128 W C -0.713 175.895 176.519 0.148 0.000 1.221 128 W CA 0.149 57.472 57.345 -0.036 0.000 1.257 128 W CB 0.055 29.416 29.460 -0.163 0.000 1.120 128 W HN 0.124 nan 8.180 nan 0.000 0.551 129 F N 1.251 121.191 119.950 -0.015 0.000 2.557 129 F HA 0.267 4.795 4.527 0.001 0.000 0.336 129 F C 0.668 176.395 175.800 -0.122 0.000 1.058 129 F CA -1.973 55.936 58.000 -0.153 0.000 0.988 129 F CB -0.639 38.293 39.000 -0.114 0.000 1.275 129 F HN -0.411 nan 8.300 nan 0.000 0.488 130 D N -0.062 120.349 120.400 0.018 0.000 2.461 130 D HA -0.032 4.609 4.640 0.001 0.000 0.231 130 D C 0.660 176.972 176.300 0.020 0.000 1.208 130 D CA 0.532 54.514 54.000 -0.030 0.000 0.879 130 D CB 0.515 41.239 40.800 -0.128 0.000 1.220 130 D HN 0.449 nan 8.370 nan 0.000 0.480 131 S N 0.167 115.880 115.700 0.022 0.000 2.602 131 S HA 0.080 4.551 4.470 0.001 0.000 0.246 131 S C 0.293 174.922 174.600 0.049 0.000 1.009 131 S CA -0.576 57.649 58.200 0.042 0.000 1.052 131 S CB -0.013 63.214 63.200 0.045 0.000 0.778 131 S HN 0.425 nan 8.310 nan 0.000 0.455 132 E N 1.246 121.469 120.200 0.037 0.000 2.081 132 E HA 0.300 4.651 4.350 0.001 0.000 0.276 132 E C 0.496 177.198 176.600 0.170 0.000 0.950 132 E CA -0.670 55.793 56.400 0.105 0.000 0.776 132 E CB 0.482 30.268 29.700 0.144 0.000 1.094 132 E HN 0.214 nan 8.360 nan 0.000 0.402 133 R N 2.948 123.568 120.500 0.200 0.000 2.189 133 R HA 0.256 4.597 4.340 0.001 0.000 0.203 133 R C 0.283 176.792 176.300 0.348 0.000 1.012 133 R CA 0.416 56.652 56.100 0.226 0.000 1.015 133 R CB 0.119 30.520 30.300 0.168 0.000 0.938 133 R HN 0.448 nan 8.270 nan 0.000 0.472 134 L N 0.160 121.526 121.223 0.238 0.000 2.409 134 L HA 0.414 4.755 4.340 0.001 0.000 0.262 134 L C -0.400 176.153 176.870 -0.528 0.000 0.992 134 L CA -1.064 53.768 54.840 -0.014 0.000 0.817 134 L CB 2.691 44.849 42.059 0.164 0.000 1.350 134 L HN -0.358 nan 8.230 nan 0.000 0.411 135 V N 1.292 120.323 119.914 -1.472 0.000 2.637 135 V HA -0.040 4.081 4.120 0.001 0.000 0.296 135 V C 0.698 176.358 176.094 -0.723 0.000 1.046 135 V CA 0.196 61.582 62.300 -1.524 0.000 1.066 135 V CB 1.042 31.533 31.823 -2.221 0.000 0.968 135 V HN 1.028 nan 8.190 nan 0.000 0.483 136 D N 3.842 123.969 120.400 -0.456 0.000 2.472 136 D HA -0.341 4.300 4.640 0.001 0.000 0.194 136 D C 1.124 177.383 176.300 -0.068 0.000 1.023 136 D CA 2.111 55.993 54.000 -0.196 0.000 0.869 136 D CB -0.326 40.379 40.800 -0.158 0.000 0.997 136 D HN 0.791 nan 8.370 nan 0.000 0.463 137 D N -1.875 118.499 120.400 -0.042 0.000 2.328 137 D HA -0.037 4.604 4.640 0.001 0.000 0.226 137 D C -0.196 176.327 176.300 0.372 0.000 1.066 137 D CA -0.527 53.562 54.000 0.149 0.000 0.861 137 D CB -0.623 40.251 40.800 0.123 0.000 0.912 137 D HN 0.301 nan 8.370 nan 0.000 0.521 138 W N 1.040 122.376 121.300 0.060 0.000 2.170 138 W HA 0.210 4.871 4.660 0.001 0.000 0.342 138 W C 0.359 177.051 176.519 0.287 0.000 1.294 138 W CA -1.048 56.341 57.345 0.073 0.000 1.246 138 W CB 0.036 29.498 29.460 0.003 0.000 1.156 138 W HN -0.041 nan 8.180 nan 0.000 0.572 139 W N 3.969 125.387 121.300 0.198 0.000 2.351 139 W HA 0.236 4.897 4.660 0.001 0.000 0.311 139 W C -1.210 175.364 176.519 0.092 0.000 1.168 139 W CA -2.800 54.614 57.345 0.115 0.000 1.200 139 W CB -0.252 29.258 29.460 0.084 0.000 1.221 139 W HN 0.218 nan 8.180 nan 0.000 0.519 140 P HA -0.205 nan 4.420 nan 0.000 0.218 140 P C 0.939 178.305 177.300 0.109 0.000 1.148 140 P CA 1.898 65.085 63.100 0.145 0.000 0.822 140 P CB 0.486 32.235 31.700 0.083 0.000 0.784 141 E N -0.867 119.425 120.200 0.152 0.000 2.274 141 E HA -0.124 4.227 4.350 0.001 0.000 0.194 141 E C 1.411 178.095 176.600 0.140 0.000 0.996 141 E CA 0.809 57.287 56.400 0.130 0.000 0.840 141 E CB -0.676 29.119 29.700 0.159 0.000 0.772 141 E HN 0.292 nan 8.360 nan 0.000 0.491 142 D N 0.583 121.094 120.400 0.184 0.000 2.317 142 D HA -0.071 4.570 4.640 0.001 0.000 0.211 142 D C 1.219 177.422 176.300 -0.161 0.000 0.966 142 D CA 0.416 54.490 54.000 0.124 0.000 0.876 142 D CB 0.032 40.923 40.800 0.151 0.000 0.927 142 D HN 0.313 nan 8.370 nan 0.000 0.519 143 E N 0.447 120.572 120.200 -0.124 0.000 2.209 143 E HA -0.153 4.198 4.350 0.001 0.000 0.196 143 E C -0.812 175.617 176.600 -0.285 0.000 0.993 143 E CA 0.753 57.065 56.400 -0.148 0.000 0.819 143 E CB -0.594 29.085 29.700 -0.034 0.000 0.745 143 E HN 0.339 nan 8.360 nan 0.000 0.477 144 P HA -0.111 nan 4.420 nan 0.000 0.223 144 P C -0.381 176.585 177.300 -0.557 0.000 1.151 144 P CA 1.089 63.845 63.100 -0.572 0.000 0.787 144 P CB 0.016 31.255 31.700 -0.767 0.000 0.788 145 Y N -1.753 118.388 120.300 -0.266 0.000 2.376 145 Y HA 0.486 5.037 4.550 0.002 0.000 0.325 145 Y C 1.987 177.645 175.900 -0.403 0.000 1.199 145 Y CA -1.152 56.736 58.100 -0.353 0.000 1.206 145 Y CB 0.432 38.599 38.460 -0.489 0.000 1.229 145 Y HN -0.238 nan 8.280 nan 0.000 0.480 146 A N 1.767 124.557 122.820 -0.049 0.000 1.958 146 A HA -0.289 4.032 4.320 0.001 0.000 0.221 146 A C 1.705 179.273 177.584 -0.027 0.000 1.178 146 A CA 2.270 54.294 52.037 -0.021 0.000 0.642 146 A CB -1.381 17.644 19.000 0.041 0.000 0.816 146 A HN 0.945 nan 8.150 nan 0.000 0.453 147 Y N -2.110 118.197 120.300 0.011 0.000 2.616 147 Y HA 0.321 4.872 4.550 0.002 0.000 0.296 147 Y C 1.649 177.466 175.900 -0.137 0.000 1.154 147 Y CA 0.768 58.833 58.100 -0.057 0.000 1.325 147 Y CB -0.488 37.921 38.460 -0.084 0.000 1.007 147 Y HN 0.170 nan 8.280 nan 0.000 0.542 148 S N 0.475 115.964 115.700 -0.352 0.000 2.741 148 S HA 0.622 5.093 4.470 0.001 0.000 0.247 148 S C 0.419 174.987 174.600 -0.054 0.000 1.050 148 S CA -0.304 57.727 58.200 -0.282 0.000 1.025 148 S CB -1.011 61.972 63.200 -0.361 0.000 0.897 148 S HN 0.569 nan 8.310 nan 0.000 0.508 149 A N 1.549 124.375 122.820 0.010 0.000 2.511 149 A HA 0.350 4.671 4.320 0.001 0.000 0.242 149 A C 0.389 178.099 177.584 0.210 0.000 1.069 149 A CA -0.008 52.084 52.037 0.090 0.000 0.763 149 A CB 0.103 19.154 19.000 0.085 0.000 1.001 149 A HN 0.709 nan 8.150 nan 0.000 0.498 150 Q N 0.895 120.813 119.800 0.197 0.000 2.361 150 Q HA 0.146 4.486 4.340 0.001 0.000 0.276 150 Q C -0.252 175.883 176.000 0.224 0.000 1.022 150 Q CA 0.086 56.032 55.803 0.237 0.000 0.898 150 Q CB 0.513 29.355 28.738 0.173 0.000 1.246 150 Q HN 0.556 nan 8.270 nan 0.000 0.410 151 I N 1.499 122.216 120.570 0.245 0.000 2.428 151 I HA 0.277 4.448 4.170 0.001 0.000 0.289 151 I C 0.310 176.503 176.117 0.127 0.000 1.019 151 I CA 0.336 61.739 61.300 0.171 0.000 1.351 151 I CB 1.034 39.081 38.000 0.077 0.000 1.412 151 I HN 0.533 nan 8.210 nan 0.000 0.513 152 S N 3.228 119.028 115.700 0.166 0.000 2.565 152 S HA 0.648 5.119 4.470 0.001 0.000 0.269 152 S C 0.411 175.094 174.600 0.139 0.000 1.153 152 S CA 0.095 58.392 58.200 0.162 0.000 0.835 152 S CB 1.647 64.903 63.200 0.095 0.000 1.122 152 S HN 0.676 nan 8.310 nan 0.000 0.462 153 A N 2.134 124.940 122.820 -0.023 0.000 2.016 153 A HA 0.342 4.663 4.320 0.001 0.000 0.217 153 A C 0.698 178.156 177.584 -0.209 0.000 1.162 153 A CA 0.573 52.371 52.037 -0.398 0.000 0.662 153 A CB -0.234 18.495 19.000 -0.451 0.000 0.812 153 A HN 0.694 nan 8.150 nan 0.000 0.450 154 L N 0.801 121.970 121.223 -0.089 0.000 2.295 154 L HA 0.459 4.800 4.340 0.001 0.000 0.281 154 L C -0.972 175.882 176.870 -0.026 0.000 1.018 154 L CA -0.030 54.769 54.840 -0.069 0.000 0.841 154 L CB 1.439 43.465 42.059 -0.056 0.000 1.218 154 L HN 0.149 nan 8.230 nan 0.000 0.424 155 T N 3.256 117.798 114.554 -0.020 0.000 3.032 155 T HA 0.419 4.769 4.350 0.001 0.000 0.312 155 T C -0.891 173.827 174.700 0.029 0.000 1.078 155 T CA -0.277 61.834 62.100 0.018 0.000 1.028 155 T CB 1.665 70.564 68.868 0.053 0.000 1.091 155 T HN 0.147 nan 8.240 nan 0.000 0.457 156 V N 4.219 124.159 119.914 0.042 0.000 2.461 156 V HA 0.678 4.799 4.120 0.001 0.000 0.275 156 V C 0.727 176.892 176.094 0.118 0.000 1.047 156 V CA -0.597 61.743 62.300 0.066 0.000 0.955 156 V CB 0.982 32.839 31.823 0.056 0.000 0.988 156 V HN 1.055 nan 8.190 nan 0.000 0.471 157 A N 3.754 126.671 122.820 0.161 0.000 2.274 157 A HA 0.546 4.867 4.320 0.001 0.000 0.309 157 A C -0.413 177.316 177.584 0.241 0.000 1.226 157 A CA -0.443 51.744 52.037 0.249 0.000 0.853 157 A CB 0.012 19.234 19.000 0.371 0.000 1.146 157 A HN 1.006 nan 8.150 nan 0.000 0.518 158 H N 1.805 120.947 119.070 0.120 0.000 2.562 158 H HA 0.508 5.065 4.556 0.001 0.000 0.314 158 H C 0.849 176.174 175.328 -0.005 0.000 1.079 158 H CA 1.329 57.410 56.048 0.054 0.000 1.349 158 H CB 0.638 30.421 29.762 0.034 0.000 1.432 158 H HN 1.520 nan 8.280 nan 0.000 0.479 159 G N 3.640 112.180 108.800 -0.433 0.000 2.828 159 G HA2 -0.282 3.678 3.960 0.001 0.000 0.463 159 G HA3 -0.282 3.678 3.960 0.001 0.000 0.463 159 G C 0.709 175.357 174.900 -0.420 0.000 1.394 159 G CA 0.064 44.951 45.100 -0.354 0.000 0.862 159 G HN 0.864 nan 8.290 nan 0.000 0.540 160 E N -0.452 119.522 120.200 -0.376 0.000 2.511 160 E HA 0.065 4.416 4.350 0.001 0.000 0.196 160 E C 1.970 178.293 176.600 -0.462 0.000 1.066 160 E CA 0.778 56.883 56.400 -0.491 0.000 0.871 160 E CB 0.033 29.631 29.700 -0.170 0.000 0.863 160 E HN 0.563 nan 8.360 nan 0.000 0.520 161 R N -0.327 119.967 120.500 -0.345 0.000 2.265 161 R HA 0.158 4.499 4.340 0.001 0.000 0.194 161 R C -0.343 176.005 176.300 0.080 0.000 0.931 161 R CA 0.223 56.218 56.100 -0.174 0.000 1.032 161 R CB -0.005 30.087 30.300 -0.347 0.000 0.980 161 R HN 0.121 nan 8.270 nan 0.000 0.497 162 F N 1.651 121.690 119.950 0.147 0.000 2.890 162 F HA -0.191 4.337 4.527 0.001 0.000 0.333 162 F C -0.857 175.029 175.800 0.143 0.000 1.012 162 F CA -0.032 58.085 58.000 0.194 0.000 1.090 162 F CB -1.427 37.766 39.000 0.323 0.000 1.281 162 F HN 0.031 nan 8.300 nan 0.000 0.786 163 D N 1.483 122.012 120.400 0.215 0.000 2.317 163 D HA 0.268 4.909 4.640 0.001 0.000 0.252 163 D C 0.719 177.120 176.300 0.167 0.000 1.174 163 D CA 0.245 54.327 54.000 0.136 0.000 0.866 163 D CB 1.339 42.192 40.800 0.088 0.000 1.127 163 D HN 0.312 nan 8.370 nan 0.000 0.467 164 T N -1.816 112.823 114.554 0.142 0.000 2.922 164 T HA 0.495 4.846 4.350 0.001 0.000 0.285 164 T C 1.147 175.912 174.700 0.110 0.000 1.005 164 T CA -0.314 61.873 62.100 0.146 0.000 1.061 164 T CB 1.630 70.595 68.868 0.161 0.000 1.007 164 T HN 0.525 nan 8.240 nan 0.000 0.502 165 G N 0.601 109.461 108.800 0.100 0.000 2.249 165 G HA2 -0.084 3.877 3.960 0.001 0.000 0.273 165 G HA3 -0.084 3.877 3.960 0.001 0.000 0.273 165 G C 0.065 175.003 174.900 0.062 0.000 1.036 165 G CA 0.313 45.462 45.100 0.081 0.000 0.824 165 G HN 1.864 nan 8.290 nan 0.000 0.504 166 V N -4.029 115.918 119.914 0.055 0.000 3.102 166 V HA 0.985 5.106 4.120 0.001 0.000 0.312 166 V C -0.025 176.075 176.094 0.010 0.000 1.135 166 V CA -0.184 62.126 62.300 0.018 0.000 1.022 166 V CB 2.086 33.898 31.823 -0.018 0.000 1.056 166 V HN 0.766 nan 8.190 nan 0.000 0.436 167 T N 0.610 115.154 114.554 -0.016 0.000 2.907 167 T HA 0.450 4.801 4.350 0.001 0.000 0.292 167 T C -0.943 173.703 174.700 -0.089 0.000 1.043 167 T CA -0.404 61.687 62.100 -0.015 0.000 1.003 167 T CB 1.764 70.653 68.868 0.036 0.000 1.084 167 T HN 1.059 nan 8.240 nan 0.000 0.483 168 E N 2.806 122.949 120.200 -0.095 0.000 2.115 168 E HA 0.486 4.837 4.350 0.001 0.000 0.282 168 E C -1.026 175.558 176.600 -0.028 0.000 0.987 168 E CA -0.603 55.727 56.400 -0.116 0.000 0.797 168 E CB 0.885 30.516 29.700 -0.114 0.000 1.086 168 E HN 0.407 nan 8.360 nan 0.000 0.397 169 V N 3.763 123.661 119.914 -0.026 0.000 2.383 169 V HA 0.243 4.364 4.120 0.001 0.000 0.275 169 V C -0.178 175.917 176.094 0.002 0.000 1.036 169 V CA -0.589 61.709 62.300 -0.003 0.000 0.889 169 V CB 1.424 33.246 31.823 -0.002 0.000 0.985 169 V HN 0.582 nan 8.190 nan 0.000 0.459 170 S N 4.030 119.736 115.700 0.010 0.000 2.449 170 S HA 0.677 5.148 4.470 0.001 0.000 0.310 170 S C -0.388 174.219 174.600 0.011 0.000 1.096 170 S CA -0.614 57.593 58.200 0.012 0.000 1.095 170 S CB 1.693 64.903 63.200 0.016 0.000 1.007 170 S HN 0.481 nan 8.310 nan 0.000 0.474 171 V N 3.063 122.983 119.914 0.010 0.000 2.409 171 V HA 0.674 4.795 4.120 0.001 0.000 0.291 171 V C 0.201 176.300 176.094 0.008 0.000 1.020 171 V CA -0.779 61.527 62.300 0.009 0.000 0.848 171 V CB 1.320 33.149 31.823 0.009 0.000 0.990 171 V HN 0.968 nan 8.190 nan 0.000 0.430 172 T N 3.080 117.639 114.554 0.008 0.000 2.841 172 T HA 0.672 5.023 4.350 0.001 0.000 0.283 172 T C -2.877 171.827 174.700 0.006 0.000 1.000 172 T CA -2.371 59.734 62.100 0.007 0.000 0.977 172 T CB 2.399 71.272 68.868 0.008 0.000 0.979 172 T HN 0.460 nan 8.240 nan 0.000 0.446 173 P HA 0.434 nan 4.420 nan 0.000 0.275 173 P C -0.247 177.056 177.300 0.005 0.000 1.228 173 P CA -0.318 62.785 63.100 0.005 0.000 0.786 173 P CB 1.003 32.706 31.700 0.004 0.000 0.927 174 A N 2.920 125.743 122.820 0.004 0.000 3.847 174 A HA 0.740 5.061 4.320 0.001 0.000 0.152 174 A C 0.153 177.739 177.584 0.003 0.000 1.527 174 A CA -0.166 51.873 52.037 0.004 0.000 1.022 174 A CB -0.469 18.533 19.000 0.004 0.000 1.715 174 A HN 0.559 nan 8.150 nan 0.000 0.650 175 A N -0.044 122.778 122.820 0.003 0.000 2.388 175 A HA 0.461 4.782 4.320 0.001 0.000 0.257 175 A C 0.315 177.901 177.584 0.002 0.000 1.095 175 A CA -0.133 51.906 52.037 0.003 0.000 0.791 175 A CB -0.275 18.726 19.000 0.002 0.000 1.029 175 A HN 0.692 nan 8.150 nan 0.000 0.489 176 E N 0.975 121.176 120.200 0.002 0.000 2.652 176 E HA 0.186 4.537 4.350 0.001 0.000 0.255 176 E C 1.300 177.901 176.600 0.002 0.000 0.952 176 E CA 1.261 57.663 56.400 0.002 0.000 0.947 176 E CB -0.060 29.642 29.700 0.002 0.000 0.912 176 E HN 1.482 nan 8.360 nan 0.000 0.489 177 G N 3.825 112.626 108.800 0.002 0.000 2.268 177 G HA2 -0.294 3.666 3.960 0.001 0.000 0.240 177 G HA3 -0.294 3.666 3.960 0.001 0.000 0.240 177 G C 0.089 174.991 174.900 0.002 0.000 1.010 177 G CA 0.318 45.419 45.100 0.002 0.000 0.618 177 G HN 0.600 nan 8.290 nan 0.000 0.516 178 E N 2.242 122.443 120.200 0.002 0.000 2.277 178 E HA 0.455 4.806 4.350 0.001 0.000 0.274 178 E C -2.170 174.432 176.600 0.002 0.000 1.022 178 E CA -1.985 54.417 56.400 0.002 0.000 0.853 178 E CB 1.395 31.096 29.700 0.002 0.000 1.086 178 E HN 0.156 nan 8.360 nan 0.000 0.397 179 P HA -0.092 nan 4.420 nan 0.000 0.266 179 P C -0.925 176.377 177.300 0.003 0.000 1.193 179 P CA 0.142 63.243 63.100 0.003 0.000 0.770 179 P CB 0.469 32.171 31.700 0.002 0.000 0.836 180 A N 2.830 125.653 122.820 0.004 0.000 2.332 180 A HA 0.198 4.519 4.320 0.001 0.000 0.258 180 A C 0.144 177.731 177.584 0.005 0.000 1.087 180 A CA -0.326 51.714 52.037 0.005 0.000 0.802 180 A CB -0.115 18.888 19.000 0.005 0.000 1.042 180 A HN 0.467 nan 8.150 nan 0.000 0.489 181 D N 0.633 121.036 120.400 0.006 0.000 2.277 181 D HA 0.429 5.070 4.640 0.001 0.000 0.249 181 D C -0.679 175.626 176.300 0.008 0.000 1.134 181 D CA 0.244 54.248 54.000 0.007 0.000 0.863 181 D CB 1.473 42.277 40.800 0.007 0.000 1.143 181 D HN 0.120 nan 8.370 nan 0.000 0.458 182 V N 2.885 122.804 119.914 0.008 0.000 2.495 182 V HA 0.239 4.360 4.120 0.001 0.000 0.298 182 V C 0.021 176.123 176.094 0.012 0.000 1.031 182 V CA -0.780 61.526 62.300 0.009 0.000 0.871 182 V CB 2.270 34.097 31.823 0.007 0.000 0.988 182 V HN 0.464 nan 8.190 nan 0.000 0.432 183 D N 3.474 123.883 120.400 0.015 0.000 2.362 183 D HA 0.415 5.055 4.640 0.001 0.000 0.247 183 D C 0.228 176.542 176.300 0.022 0.000 1.050 183 D CA -0.442 53.570 54.000 0.021 0.000 0.839 183 D CB 2.423 43.236 40.800 0.023 0.000 1.283 183 D HN 0.424 nan 8.370 nan 0.000 0.477 184 L N 2.861 124.101 121.223 0.029 0.000 2.607 184 L HA 0.242 4.583 4.340 0.001 0.000 0.228 184 L C 1.604 178.499 176.870 0.043 0.000 1.123 184 L CA 0.299 55.158 54.840 0.031 0.000 0.890 184 L CB -0.288 41.790 42.059 0.031 0.000 1.103 184 L HN 0.747 nan 8.230 nan 0.000 0.468 185 G N 0.837 109.667 108.800 0.050 0.000 2.527 185 G HA2 -0.421 3.540 3.960 0.001 0.000 0.268 185 G HA3 -0.421 3.540 3.960 0.001 0.000 0.268 185 G C 0.938 175.889 174.900 0.085 0.000 1.175 185 G CA 0.355 45.494 45.100 0.065 0.000 0.962 185 G HN 0.251 nan 8.290 nan 0.000 0.560 186 A N -0.464 122.415 122.820 0.097 0.000 1.986 186 A HA 0.263 4.584 4.320 0.001 0.000 0.220 186 A C 2.701 180.364 177.584 0.132 0.000 1.171 186 A CA 3.368 55.471 52.037 0.110 0.000 0.640 186 A CB -0.807 18.257 19.000 0.107 0.000 0.811 186 A HN 2.376 nan 8.150 nan 0.000 0.451 187 A N -0.406 122.481 122.820 0.111 0.000 2.327 187 A HA 0.229 4.550 4.320 0.001 0.000 0.228 187 A C 0.412 178.058 177.584 0.103 0.000 1.275 187 A CA -0.270 51.844 52.037 0.128 0.000 0.875 187 A CB -0.190 18.910 19.000 0.168 0.000 0.925 187 A HN 0.406 nan 8.150 nan 0.000 0.493 188 E N -0.123 120.147 120.200 0.117 0.000 2.351 188 E HA 0.283 4.634 4.350 0.001 0.000 0.266 188 E C 1.188 177.882 176.600 0.157 0.000 1.031 188 E CA 1.088 57.553 56.400 0.109 0.000 0.911 188 E CB 0.554 30.317 29.700 0.105 0.000 0.986 188 E HN 0.680 nan 8.360 nan 0.000 0.446 189 G N 3.427 112.274 108.800 0.079 0.000 2.179 189 G HA2 -0.366 3.595 3.960 0.001 0.000 0.260 189 G HA3 -0.366 3.595 3.960 0.001 0.000 0.260 189 G C 0.516 175.360 174.900 -0.094 0.000 0.977 189 G CA 0.674 45.827 45.100 0.087 0.000 0.641 189 G HN 0.614 nan 8.290 nan 0.000 0.533 190 Y N 0.770 120.828 120.300 -0.402 0.000 2.439 190 Y HA 0.709 5.260 4.550 0.002 0.000 0.281 190 Y C 1.797 177.581 175.900 -0.193 0.000 1.145 190 Y CA 1.448 59.277 58.100 -0.452 0.000 1.252 190 Y CB -0.197 37.898 38.460 -0.608 0.000 1.271 190 Y HN 0.623 nan 8.280 nan 0.000 0.516 191 A N 1.367 124.062 122.820 -0.208 0.000 2.304 191 A HA 0.343 4.663 4.320 0.001 0.000 0.271 191 A C -0.367 177.133 177.584 -0.139 0.000 1.091 191 A CA -0.486 51.418 52.037 -0.223 0.000 0.812 191 A CB 0.103 19.058 19.000 -0.076 0.000 1.056 191 A HN 0.502 nan 8.150 nan 0.000 0.489 192 E N -0.302 119.822 120.200 -0.127 0.000 2.242 192 E HA 0.397 4.748 4.350 0.001 0.000 0.275 192 E C -1.381 175.188 176.600 -0.052 0.000 1.002 192 E CA -0.662 55.689 56.400 -0.081 0.000 0.841 192 E CB 1.761 31.412 29.700 -0.082 0.000 1.109 192 E HN 0.448 nan 8.360 nan 0.000 0.394 193 L N 2.718 123.920 121.223 -0.035 0.000 2.282 193 L HA 0.281 4.622 4.340 0.001 0.000 0.288 193 L C -0.838 176.020 176.870 -0.020 0.000 1.033 193 L CA -0.176 54.650 54.840 -0.023 0.000 0.807 193 L CB 1.244 43.295 42.059 -0.012 0.000 1.209 193 L HN 0.311 nan 8.230 nan 0.000 0.423 194 D N 3.326 123.714 120.400 -0.019 0.000 2.458 194 D HA 0.181 4.822 4.640 0.001 0.000 0.258 194 D C -0.873 175.421 176.300 -0.009 0.000 1.134 194 D CA -0.214 53.778 54.000 -0.015 0.000 0.915 194 D CB 0.293 41.083 40.800 -0.018 0.000 1.028 194 D HN 0.439 nan 8.370 nan 0.000 0.508 195 N N 2.839 121.535 118.700 -0.006 0.000 2.767 195 N HA 0.163 4.903 4.740 0.001 0.000 0.238 195 N C -0.141 175.368 175.510 -0.002 0.000 1.083 195 N CA -0.171 52.877 53.050 -0.003 0.000 0.964 195 N CB 0.124 38.610 38.487 -0.001 0.000 1.252 195 N HN 0.251 nan 8.380 nan 0.000 0.512 196 R N 1.068 121.567 120.500 -0.001 0.000 2.609 196 R HA 0.362 4.703 4.340 0.001 0.000 0.326 196 R C -0.028 176.273 176.300 0.002 0.000 1.090 196 R CA -0.331 55.769 56.100 -0.000 0.000 1.072 196 R CB 0.535 30.834 30.300 -0.001 0.000 1.330 196 R HN 0.371 nan 8.270 nan 0.000 0.572 197 A N 0.501 123.322 122.820 0.002 0.000 2.302 197 A HA 0.462 4.782 4.320 0.001 0.000 0.285 197 A C -0.372 177.214 177.584 0.003 0.000 1.105 197 A CA -0.363 51.677 52.037 0.004 0.000 0.816 197 A CB 1.217 20.220 19.000 0.005 0.000 1.067 197 A HN 0.119 nan 8.150 nan 0.000 0.489 198 V N 1.055 120.971 119.914 0.004 0.000 2.815 198 V HA 0.584 4.705 4.120 0.001 0.000 0.314 198 V C 0.112 176.208 176.094 0.004 0.000 1.064 198 V CA -0.381 61.921 62.300 0.003 0.000 0.952 198 V CB 2.334 34.159 31.823 0.003 0.000 1.020 198 V HN 0.969 nan 8.190 nan 0.000 0.439 199 T N 4.947 119.503 114.554 0.004 0.000 2.749 199 T HA 0.502 4.852 4.350 0.001 0.000 0.295 199 T C 0.352 175.054 174.700 0.003 0.000 0.936 199 T CA 0.338 62.440 62.100 0.004 0.000 1.060 199 T CB 0.907 69.777 68.868 0.003 0.000 0.904 199 T HN 1.039 nan 8.240 nan 0.000 0.500 200 G N 1.589 110.392 108.800 0.003 0.000 2.562 200 G HA2 0.549 4.510 3.960 0.001 0.000 0.275 200 G HA3 0.549 4.510 3.960 0.001 0.000 0.275 200 G C 0.086 174.988 174.900 0.003 0.000 1.196 200 G CA -0.871 44.230 45.100 0.003 0.000 0.908 200 G HN 0.998 nan 8.290 nan 0.000 0.524 201 A N -0.083 122.738 122.820 0.002 0.000 2.498 201 A HA 0.538 4.859 4.320 0.001 0.000 0.239 201 A C 1.090 178.675 177.584 0.002 0.000 1.068 201 A CA 0.407 52.445 52.037 0.002 0.000 0.766 201 A CB -0.161 18.840 19.000 0.002 0.000 1.003 201 A HN 1.933 nan 8.150 nan 0.000 0.497 202 A N 1.537 124.358 122.820 0.002 0.000 2.548 202 A HA 0.481 4.802 4.320 0.001 0.000 0.247 202 A C 1.561 179.146 177.584 0.002 0.000 1.067 202 A CA 0.793 52.831 52.037 0.002 0.000 0.757 202 A CB -0.814 18.187 19.000 0.002 0.000 0.996 202 A HN 2.767 nan 8.150 nan 0.000 0.504 203 G N 1.616 110.417 108.800 0.002 0.000 2.157 203 G HA2 -0.125 3.836 3.960 0.001 0.000 0.239 203 G HA3 -0.125 3.836 3.960 0.001 0.000 0.239 203 G C 0.489 175.390 174.900 0.002 0.000 0.982 203 G CA 0.779 45.880 45.100 0.002 0.000 0.650 203 G HN 2.028 nan 8.290 nan 0.000 0.527 204 S N -0.336 115.366 115.700 0.002 0.000 2.719 204 S HA 0.866 5.337 4.470 0.001 0.000 0.285 204 S C 0.681 175.282 174.600 0.003 0.000 1.137 204 S CA 0.281 58.483 58.200 0.002 0.000 1.012 204 S CB 1.722 64.924 63.200 0.002 0.000 1.134 204 S HN 1.877 nan 8.310 nan 0.000 0.544 205 A N 1.346 124.168 122.820 0.003 0.000 2.440 205 A HA 0.339 4.660 4.320 0.001 0.000 0.251 205 A C 0.338 177.924 177.584 0.004 0.000 1.089 205 A CA -0.483 51.556 52.037 0.003 0.000 0.779 205 A CB -0.515 18.487 19.000 0.003 0.000 1.022 205 A HN 0.749 nan 8.150 nan 0.000 0.492 206 N N 2.074 120.776 118.700 0.004 0.000 2.439 206 N HA 0.105 4.846 4.740 0.001 0.000 0.243 206 N C 0.493 176.006 175.510 0.006 0.000 1.088 206 N CA 0.582 53.635 53.050 0.005 0.000 0.940 206 N CB 0.661 39.150 38.487 0.004 0.000 1.180 206 N HN 0.649 nan 8.380 nan 0.000 0.505 207 T N 1.132 115.690 114.554 0.007 0.000 3.215 207 T HA 0.187 4.538 4.350 0.001 0.000 0.271 207 T C 0.649 175.356 174.700 0.012 0.000 1.012 207 T CA -0.529 61.576 62.100 0.009 0.000 0.899 207 T CB -0.191 68.682 68.868 0.008 0.000 1.089 207 T HN 0.220 nan 8.240 nan 0.000 0.552 208 L N 2.322 123.552 121.223 0.012 0.000 2.453 208 L HA 0.473 4.814 4.340 0.001 0.000 0.272 208 L C -0.521 176.361 176.870 0.020 0.000 1.182 208 L CA 0.224 55.072 54.840 0.014 0.000 0.858 208 L CB 0.783 42.849 42.059 0.012 0.000 1.120 208 L HN 0.152 nan 8.230 nan 0.000 0.474 209 V N 6.372 126.300 119.914 0.023 0.000 2.656 209 V HA 0.495 4.616 4.120 0.001 0.000 0.307 209 V C -0.300 175.814 176.094 0.033 0.000 1.051 209 V CA -0.546 61.775 62.300 0.034 0.000 0.893 209 V CB 2.012 33.856 31.823 0.035 0.000 0.999 209 V HN 0.541 nan 8.190 nan 0.000 0.426 210 I N 3.626 124.224 120.570 0.047 0.000 2.439 210 I HA 0.540 4.711 4.170 0.001 0.000 0.285 210 I C -1.073 175.066 176.117 0.036 0.000 1.021 210 I CA -0.223 61.099 61.300 0.036 0.000 1.091 210 I CB 1.899 39.920 38.000 0.035 0.000 1.242 210 I HN 0.551 nan 8.210 nan 0.000 0.439 211 D N 4.602 125.003 120.400 0.002 0.000 2.523 211 D HA 0.460 5.101 4.640 0.001 0.000 0.236 211 D C -0.938 175.327 176.300 -0.058 0.000 1.094 211 D CA -0.706 53.275 54.000 -0.031 0.000 0.942 211 D CB 2.431 43.221 40.800 -0.016 0.000 1.447 211 D HN 0.409 nan 8.370 nan 0.000 0.479 212 R N 2.256 122.698 120.500 -0.098 0.000 2.407 212 R HA 0.448 4.789 4.340 0.001 0.000 0.298 212 R C -2.537 173.715 176.300 -0.081 0.000 1.166 212 R CA -1.685 54.364 56.100 -0.085 0.000 1.006 212 R CB 1.170 31.413 30.300 -0.095 0.000 1.145 212 R HN 0.219 nan 8.270 nan 0.000 0.538 213 P HA -0.152 nan 4.420 nan 0.000 0.263 213 P C -0.259 177.017 177.300 -0.040 0.000 1.175 213 P CA -0.041 63.034 63.100 -0.042 0.000 0.761 213 P CB 0.642 32.323 31.700 -0.032 0.000 0.794 214 V N 4.307 124.201 119.914 -0.032 0.000 2.557 214 V HA 0.204 4.325 4.120 0.001 0.000 0.301 214 V C 1.422 177.507 176.094 -0.014 0.000 1.026 214 V CA 1.966 64.253 62.300 -0.021 0.000 1.137 214 V CB -0.626 31.193 31.823 -0.008 0.000 0.917 214 V HN 1.002 nan 8.190 nan 0.000 0.484 215 G N 3.644 112.439 108.800 -0.009 0.000 2.143 215 G HA2 -0.215 3.746 3.960 0.001 0.000 0.249 215 G HA3 -0.215 3.746 3.960 0.001 0.000 0.249 215 G C 0.230 175.120 174.900 -0.016 0.000 0.981 215 G CA 0.692 45.788 45.100 -0.005 0.000 0.665 215 G HN 1.628 nan 8.290 nan 0.000 0.528 216 T N -3.052 111.486 114.554 -0.027 0.000 2.926 216 T HA 0.655 5.006 4.350 0.001 0.000 0.289 216 T C -0.056 174.612 174.700 -0.054 0.000 1.054 216 T CA -0.294 61.781 62.100 -0.041 0.000 1.015 216 T CB 2.133 70.975 68.868 -0.044 0.000 1.167 216 T HN 0.152 nan 8.240 nan 0.000 0.526 217 N N 0.327 118.977 118.700 -0.083 0.000 2.699 217 N HA 0.332 5.073 4.740 0.001 0.000 0.317 217 N C -1.249 174.188 175.510 -0.122 0.000 1.661 217 N CA -0.332 52.647 53.050 -0.118 0.000 0.979 217 N CB 0.282 38.645 38.487 -0.207 0.000 1.329 217 N HN 0.696 nan 8.380 nan 0.000 0.497 218 T N 0.901 115.406 114.554 -0.082 0.000 2.824 218 T HA 0.406 4.757 4.350 0.001 0.000 0.282 218 T C -0.130 174.539 174.700 -0.053 0.000 0.993 218 T CA -0.529 61.529 62.100 -0.069 0.000 0.967 218 T CB 1.260 70.094 68.868 -0.056 0.000 0.960 218 T HN -0.017 nan 8.240 nan 0.000 0.441 219 I N 3.163 123.707 120.570 -0.043 0.000 2.312 219 I HA 0.433 4.604 4.170 0.001 0.000 0.291 219 I C 0.535 176.638 176.117 -0.024 0.000 1.031 219 I CA -0.669 60.612 61.300 -0.031 0.000 1.293 219 I CB 0.413 38.401 38.000 -0.020 0.000 1.403 219 I HN 0.705 nan 8.210 nan 0.000 0.484 220 A N 7.623 130.429 122.820 -0.023 0.000 2.256 220 A HA 0.621 4.942 4.320 0.001 0.000 0.317 220 A C -0.378 177.202 177.584 -0.006 0.000 1.318 220 A CA -0.472 51.556 52.037 -0.015 0.000 0.894 220 A CB 0.637 19.627 19.000 -0.017 0.000 1.165 220 A HN 0.433 nan 8.150 nan 0.000 0.525 221 V N 3.650 123.562 119.914 -0.003 0.000 2.347 221 V HA 0.610 4.731 4.120 0.001 0.000 0.280 221 V C 0.538 176.634 176.094 0.004 0.000 1.021 221 V CA 0.004 62.306 62.300 0.003 0.000 0.847 221 V CB 0.898 32.723 31.823 0.004 0.000 0.990 221 V HN 1.055 nan 8.190 nan 0.000 0.444 222 T N 1.231 115.790 114.554 0.008 0.000 2.888 222 T HA 0.970 5.321 4.350 0.001 0.000 0.288 222 T C 0.229 174.934 174.700 0.010 0.000 1.063 222 T CA -0.055 62.050 62.100 0.008 0.000 1.010 222 T CB 1.973 70.845 68.868 0.008 0.000 1.214 222 T HN 1.776 nan 8.240 nan 0.000 0.533 223 G N 0.232 109.037 108.800 0.008 0.000 2.512 223 G HA2 0.234 4.195 3.960 0.001 0.000 0.210 223 G HA3 0.234 4.195 3.960 0.001 0.000 0.210 223 G C -0.425 174.479 174.900 0.007 0.000 1.295 223 G CA -0.176 44.929 45.100 0.009 0.000 0.934 223 G HN 1.481 nan 8.290 nan 0.000 0.554 224 S N -1.066 114.639 115.700 0.007 0.000 2.557 224 S HA 0.659 5.129 4.470 0.001 0.000 0.291 224 S C -1.216 173.388 174.600 0.006 0.000 1.116 224 S CA -0.332 57.871 58.200 0.006 0.000 0.992 224 S CB 1.348 64.551 63.200 0.005 0.000 1.028 224 S HN 1.620 nan 8.310 nan 0.000 0.484 225 L N 6.641 127.867 121.223 0.006 0.000 2.319 225 L HA 0.674 5.015 4.340 0.001 0.000 0.281 225 L C -2.634 174.238 176.870 0.004 0.000 1.005 225 L CA -1.885 52.959 54.840 0.005 0.000 0.828 225 L CB 1.460 43.523 42.059 0.006 0.000 1.227 225 L HN 0.374 nan 8.230 nan 0.000 0.415 226 P HA 0.107 nan 4.420 nan 0.000 0.265 226 P C 0.182 177.484 177.300 0.003 0.000 1.193 226 P CA 0.110 63.212 63.100 0.003 0.000 0.765 226 P CB 0.857 32.559 31.700 0.003 0.000 0.823 227 A N 3.919 126.741 122.820 0.003 0.000 1.986 227 A HA -0.215 4.105 4.320 0.001 0.000 0.220 227 A C 1.495 179.080 177.584 0.003 0.000 1.171 227 A CA 2.093 54.132 52.037 0.003 0.000 0.640 227 A CB -1.049 17.953 19.000 0.003 0.000 0.811 227 A HN 0.635 nan 8.150 nan 0.000 0.451 228 D N -0.427 119.975 120.400 0.003 0.000 2.339 228 D HA 0.358 4.999 4.640 0.001 0.000 0.217 228 D C 0.595 176.896 176.300 0.003 0.000 1.050 228 D CA 0.517 54.518 54.000 0.003 0.000 0.856 228 D CB -0.487 40.315 40.800 0.002 0.000 0.922 228 D HN 0.374 nan 8.370 nan 0.000 0.518 229 A N 0.487 123.309 122.820 0.003 0.000 2.340 229 A HA 0.621 4.941 4.320 0.001 0.000 0.268 229 A C 0.649 178.235 177.584 0.004 0.000 1.100 229 A CA -0.202 51.837 52.037 0.003 0.000 0.803 229 A CB 0.454 19.456 19.000 0.004 0.000 1.043 229 A HN 0.337 nan 8.150 nan 0.000 0.488 230 A N 3.150 125.972 122.820 0.004 0.000 2.520 230 A HA 0.478 4.799 4.320 0.001 0.000 0.235 230 A C -2.040 175.546 177.584 0.005 0.000 1.065 230 A CA -0.663 51.376 52.037 0.004 0.000 0.764 230 A CB -0.891 18.111 19.000 0.004 0.000 1.002 230 A HN 0.668 nan 8.150 nan 0.000 0.502 231 P HA 0.201 nan 4.420 nan 0.000 0.267 231 P C -0.691 176.613 177.300 0.006 0.000 1.201 231 P CA -0.096 63.008 63.100 0.007 0.000 0.775 231 P CB 0.409 32.114 31.700 0.008 0.000 0.854 232 V N 3.126 123.044 119.914 0.007 0.000 2.427 232 V HA 0.351 4.472 4.120 0.001 0.000 0.286 232 V C 0.173 176.271 176.094 0.006 0.000 1.034 232 V CA 0.116 62.420 62.300 0.006 0.000 0.893 232 V CB 1.529 33.357 31.823 0.008 0.000 0.982 232 V HN 0.547 nan 8.190 nan 0.000 0.452 233 T N 4.403 118.959 114.554 0.004 0.000 2.840 233 T HA 0.780 5.131 4.350 0.001 0.000 0.287 233 T C -0.358 174.339 174.700 -0.005 0.000 0.991 233 T CA -0.342 61.759 62.100 0.001 0.000 0.964 233 T CB 1.578 70.449 68.868 0.004 0.000 0.954 233 T HN 0.930 nan 8.240 nan 0.000 0.438 234 A N 3.184 125.998 122.820 -0.011 0.000 2.498 234 A HA 0.854 5.175 4.320 0.001 0.000 0.298 234 A C -1.138 176.422 177.584 -0.041 0.000 1.075 234 A CA -0.829 51.201 52.037 -0.011 0.000 0.714 234 A CB 1.136 20.147 19.000 0.019 0.000 1.299 234 A HN 0.800 nan 8.150 nan 0.000 0.407 235 L N 2.357 123.549 121.223 -0.052 0.000 2.276 235 L HA 0.546 4.887 4.340 0.001 0.000 0.286 235 L C 0.163 177.020 176.870 -0.021 0.000 1.061 235 L CA -0.487 54.301 54.840 -0.086 0.000 0.807 235 L CB 0.725 42.715 42.059 -0.115 0.000 1.177 235 L HN 0.602 nan 8.230 nan 0.000 0.429 236 R N 1.107 121.588 120.500 -0.032 0.000 2.750 236 R HA 0.444 4.785 4.340 0.001 0.000 0.281 236 R C -0.247 176.033 176.300 -0.033 0.000 0.972 236 R CA -0.725 55.358 56.100 -0.028 0.000 0.912 236 R CB 2.093 32.375 30.300 -0.030 0.000 1.187 236 R HN 0.707 nan 8.270 nan 0.000 0.464 237 T N -1.604 112.918 114.554 -0.052 0.000 2.802 237 T HA 0.337 4.688 4.350 0.001 0.000 0.305 237 T C 0.797 175.501 174.700 0.007 0.000 1.053 237 T CA -0.595 61.492 62.100 -0.022 0.000 1.058 237 T CB 0.682 69.525 68.868 -0.042 0.000 0.988 237 T HN 0.399 nan 8.240 nan 0.000 0.539 238 V N -1.507 118.440 119.914 0.056 0.000 3.113 238 V HA 0.674 4.795 4.120 0.001 0.000 0.316 238 V C -0.574 175.587 176.094 0.112 0.000 1.125 238 V CA -1.337 61.026 62.300 0.106 0.000 1.026 238 V CB 1.678 33.644 31.823 0.238 0.000 1.080 238 V HN 0.954 nan 8.190 nan 0.000 0.444 239 D N 1.450 121.919 120.400 0.115 0.000 2.308 239 D HA 0.290 4.931 4.640 0.001 0.000 0.251 239 D C -0.196 176.220 176.300 0.194 0.000 1.127 239 D CA 0.688 54.754 54.000 0.109 0.000 0.876 239 D CB 0.346 41.172 40.800 0.043 0.000 1.176 239 D HN 0.786 nan 8.370 nan 0.000 0.446 240 E N 2.648 122.940 120.200 0.152 0.000 2.937 240 E HA -0.142 4.208 4.350 0.001 0.000 0.152 240 E C -1.945 174.731 176.600 0.127 0.000 1.769 240 E CA 0.050 56.540 56.400 0.150 0.000 0.688 240 E CB -0.736 29.064 29.700 0.167 0.000 1.091 240 E HN 0.504 nan 8.360 nan 0.000 0.362 241 P HA -0.167 nan 4.420 nan 0.000 0.218 241 P C 1.280 178.580 177.300 -0.001 0.000 1.148 241 P CA 1.998 65.124 63.100 0.043 0.000 0.822 241 P CB 0.232 31.971 31.700 0.066 0.000 0.784 242 A N -0.214 122.619 122.820 0.021 0.000 2.014 242 A HA 0.059 4.380 4.320 0.001 0.000 0.218 242 A C 2.242 179.819 177.584 -0.012 0.000 1.163 242 A CA 1.535 53.575 52.037 0.005 0.000 0.652 242 A CB -1.335 17.681 19.000 0.027 0.000 0.808 242 A HN 0.194 nan 8.150 nan 0.000 0.449 243 A N -0.668 122.151 122.820 -0.002 0.000 2.014 243 A HA 0.110 4.431 4.320 0.001 0.000 0.218 243 A C 2.019 179.433 177.584 -0.284 0.000 1.163 243 A CA 1.401 53.429 52.037 -0.016 0.000 0.652 243 A CB -0.408 18.694 19.000 0.169 0.000 0.808 243 A HN 0.580 nan 8.150 nan 0.000 0.449 244 L N -0.516 120.423 121.223 -0.474 0.000 2.109 244 L HA 0.091 4.432 4.340 0.001 0.000 0.207 244 L C 2.592 179.349 176.870 -0.188 0.000 1.086 244 L CA 1.841 56.320 54.840 -0.601 0.000 0.760 244 L CB -0.590 41.176 42.059 -0.488 0.000 0.910 244 L HN 0.295 nan 8.230 nan 0.000 0.437 245 A N -0.380 122.381 122.820 -0.098 0.000 1.940 245 A HA -0.089 4.232 4.320 0.001 0.000 0.219 245 A C 2.305 179.904 177.584 0.024 0.000 1.176 245 A CA 1.609 53.632 52.037 -0.024 0.000 0.631 245 A CB -1.560 17.419 19.000 -0.034 0.000 0.814 245 A HN 0.522 nan 8.150 nan 0.000 0.446 246 G N -1.251 107.556 108.800 0.011 0.000 2.433 246 G HA2 -0.284 3.677 3.960 0.001 0.000 0.216 246 G HA3 -0.284 3.677 3.960 0.001 0.000 0.216 246 G C 1.460 176.414 174.900 0.090 0.000 1.186 246 G CA 1.382 46.519 45.100 0.062 0.000 0.779 246 G HN 0.740 nan 8.290 nan 0.000 0.543 247 H N 0.550 119.592 119.070 -0.046 0.000 2.321 247 H HA -0.035 4.522 4.556 0.001 0.000 0.295 247 H C 2.531 177.853 175.328 -0.011 0.000 1.102 247 H CA 1.864 57.891 56.048 -0.036 0.000 1.266 247 H CB -0.270 29.431 29.762 -0.101 0.000 1.363 247 H HN 0.279 nan 8.280 nan 0.000 0.492 248 L N -1.239 119.992 121.223 0.014 0.000 2.046 248 L HA -0.151 4.190 4.340 0.001 0.000 0.208 248 L C 2.229 179.112 176.870 0.020 0.000 1.077 248 L CA 1.152 55.989 54.840 -0.004 0.000 0.747 248 L CB -0.488 41.602 42.059 0.052 0.000 0.896 248 L HN 0.285 nan 8.230 nan 0.000 0.432 249 F N 0.932 120.836 119.950 -0.076 0.000 2.171 249 F HA -0.226 4.302 4.527 0.001 0.000 0.300 249 F C 2.586 178.340 175.800 -0.076 0.000 1.090 249 F CA 1.614 59.576 58.000 -0.064 0.000 1.293 249 F CB -0.190 38.784 39.000 -0.043 0.000 1.013 249 F HN 0.109 nan 8.300 nan 0.000 0.486 250 E N 0.148 120.295 120.200 -0.090 0.000 2.077 250 E HA -0.238 4.112 4.350 0.001 0.000 0.193 250 E C 2.018 178.482 176.600 -0.227 0.000 0.989 250 E CA 1.643 57.938 56.400 -0.176 0.000 0.800 250 E CB -0.128 29.500 29.700 -0.120 0.000 0.746 250 E HN 0.576 nan 8.360 nan 0.000 0.452 251 E N -0.185 119.882 120.200 -0.222 0.000 2.152 251 E HA -0.123 4.228 4.350 0.001 0.000 0.192 251 E C 1.950 178.442 176.600 -0.180 0.000 0.983 251 E CA 0.700 56.985 56.400 -0.192 0.000 0.818 251 E CB -0.027 29.559 29.700 -0.190 0.000 0.758 251 E HN 0.261 nan 8.360 nan 0.000 0.467 252 A N 1.082 123.774 122.820 -0.213 0.000 1.968 252 A HA -0.089 4.231 4.320 0.001 0.000 0.217 252 A C 2.135 179.531 177.584 -0.314 0.000 1.169 252 A CA 0.719 52.622 52.037 -0.224 0.000 0.638 252 A CB -0.407 18.480 19.000 -0.190 0.000 0.812 252 A HN 0.120 nan 8.150 nan 0.000 0.446 253 L N -1.176 119.776 121.223 -0.450 0.000 2.056 253 L HA -0.161 4.179 4.340 0.001 0.000 0.207 253 L C 2.552 179.289 176.870 -0.222 0.000 1.078 253 L CA 1.646 56.245 54.840 -0.402 0.000 0.749 253 L CB -0.288 41.501 42.059 -0.451 0.000 0.901 253 L HN 0.419 nan 8.230 nan 0.000 0.433 254 E N -0.967 119.123 120.200 -0.183 0.000 2.216 254 E HA -0.121 4.230 4.350 0.001 0.000 0.192 254 E C 2.175 178.715 176.600 -0.099 0.000 0.988 254 E CA 0.531 56.857 56.400 -0.122 0.000 0.834 254 E CB 0.231 29.868 29.700 -0.105 0.000 0.772 254 E HN 0.174 nan 8.360 nan 0.000 0.479 255 S N 0.445 116.081 115.700 -0.106 0.000 2.507 255 S HA -0.005 4.466 4.470 0.001 0.000 0.235 255 S C 0.922 175.478 174.600 -0.073 0.000 0.988 255 S CA 0.524 58.676 58.200 -0.080 0.000 0.944 255 S CB -0.044 63.110 63.200 -0.077 0.000 0.762 255 S HN 0.269 nan 8.310 nan 0.000 0.526 256 N N 0.432 119.079 118.700 -0.088 0.000 2.282 256 N HA 0.174 4.915 4.740 0.001 0.000 0.240 256 N C 0.487 175.958 175.510 -0.066 0.000 1.182 256 N CA 0.330 53.336 53.050 -0.073 0.000 0.874 256 N CB 1.081 39.518 38.487 -0.083 0.000 1.126 256 N HN 0.354 nan 8.380 nan 0.000 0.516 257 G N 0.988 109.749 108.800 -0.064 0.000 2.314 257 G HA2 -0.232 3.729 3.960 0.001 0.000 0.292 257 G HA3 -0.232 3.729 3.960 0.001 0.000 0.292 257 G C -0.401 174.467 174.900 -0.053 0.000 1.059 257 G CA 0.035 45.104 45.100 -0.052 0.000 0.982 257 G HN 0.173 nan 8.290 nan 0.000 0.505 258 V N 0.603 120.475 119.914 -0.070 0.000 2.483 258 V HA 0.595 4.716 4.120 0.001 0.000 0.297 258 V C 0.419 176.472 176.094 -0.069 0.000 1.027 258 V CA -0.325 61.935 62.300 -0.067 0.000 0.855 258 V CB 2.075 33.847 31.823 -0.085 0.000 0.995 258 V HN 0.434 nan 8.190 nan 0.000 0.424 259 T N 4.266 118.791 114.554 -0.049 0.000 2.767 259 T HA 0.528 4.879 4.350 0.001 0.000 0.288 259 T C -0.197 174.479 174.700 -0.040 0.000 0.963 259 T CA -0.425 61.648 62.100 -0.045 0.000 1.019 259 T CB 1.520 70.369 68.868 -0.032 0.000 0.923 259 T HN 0.323 nan 8.240 nan 0.000 0.468 260 V N 4.863 124.749 119.914 -0.047 0.000 2.328 260 V HA 0.247 4.368 4.120 0.001 0.000 0.278 260 V C 1.089 177.163 176.094 -0.034 0.000 1.021 260 V CA -0.591 61.685 62.300 -0.041 0.000 0.838 260 V CB 1.047 32.837 31.823 -0.054 0.000 0.999 260 V HN 0.853 nan 8.190 nan 0.000 0.447 261 K N 2.972 123.358 120.400 -0.024 0.000 2.186 261 K HA 0.145 4.466 4.320 0.001 0.000 0.202 261 K C 1.347 177.934 176.600 -0.021 0.000 1.052 261 K CA 0.789 57.065 56.287 -0.018 0.000 0.965 261 K CB 0.342 32.837 32.500 -0.009 0.000 0.746 261 K HN 0.761 nan 8.250 nan 0.000 0.457 262 G N 1.249 110.031 108.800 -0.030 0.000 2.531 262 G HA2 0.075 4.036 3.960 0.001 0.000 0.253 262 G HA3 0.075 4.036 3.960 0.001 0.000 0.253 262 G C -0.329 174.536 174.900 -0.058 0.000 1.439 262 G CA -0.443 44.632 45.100 -0.042 0.000 1.056 262 G HN -0.030 nan 8.290 nan 0.000 0.555 263 D N -1.379 118.970 120.400 -0.086 0.000 2.440 263 D HA 0.483 5.124 4.640 0.001 0.000 0.258 263 D C -0.330 175.883 176.300 -0.145 0.000 1.092 263 D CA -0.161 53.788 54.000 -0.085 0.000 1.016 263 D CB 1.930 42.691 40.800 -0.066 0.000 1.141 263 D HN 0.049 nan 8.370 nan 0.000 0.552 264 V N -0.243 119.615 119.914 -0.093 0.000 2.513 264 V HA 0.797 4.918 4.120 0.001 0.000 0.299 264 V C 0.702 176.748 176.094 -0.079 0.000 1.035 264 V CA -0.314 61.926 62.300 -0.100 0.000 0.889 264 V CB 1.351 33.175 31.823 0.003 0.000 0.988 264 V HN 0.793 nan 8.190 nan 0.000 0.440 265 G N 3.089 111.817 108.800 -0.120 0.000 2.561 265 G HA2 0.606 4.567 3.960 0.001 0.000 0.310 265 G HA3 0.606 4.567 3.960 0.001 0.000 0.310 265 G C -1.843 173.098 174.900 0.068 0.000 1.292 265 G CA -0.870 44.224 45.100 -0.010 0.000 0.811 265 G HN 0.561 nan 8.290 nan 0.000 0.482 266 L N 0.155 121.467 121.223 0.149 0.000 2.334 266 L HA 0.831 5.172 4.340 0.001 0.000 0.275 266 L C 0.628 177.655 176.870 0.262 0.000 1.036 266 L CA -0.343 54.603 54.840 0.178 0.000 0.807 266 L CB 1.806 43.937 42.059 0.120 0.000 1.231 266 L HN 1.055 nan 8.230 nan 0.000 0.438 267 G N 0.563 109.490 108.800 0.211 0.000 2.411 267 G HA2 0.489 4.450 3.960 0.001 0.000 0.295 267 G HA3 0.489 4.450 3.960 0.001 0.000 0.295 267 G C -1.458 173.522 174.900 0.135 0.000 1.542 267 G CA -0.345 44.811 45.100 0.094 0.000 0.814 267 G HN 0.776 nan 8.290 nan 0.000 0.557 268 G N -0.665 108.149 108.800 0.024 0.000 2.388 268 G HA2 0.609 4.569 3.960 0.001 0.000 0.330 268 G HA3 0.609 4.569 3.960 0.001 0.000 0.330 268 G C 0.106 174.796 174.900 -0.349 0.000 1.142 268 G CA -0.531 44.533 45.100 -0.061 0.000 0.908 268 G HN 1.156 nan 8.290 nan 0.000 0.473 269 V N 4.007 123.542 119.914 -0.632 0.000 2.555 269 V HA -0.051 4.070 4.120 0.001 0.000 0.299 269 V C -0.576 174.995 176.094 -0.872 0.000 1.012 269 V CA -0.283 61.306 62.300 -1.185 0.000 1.180 269 V CB 0.869 32.184 31.823 -0.847 0.000 0.887 269 V HN 0.690 nan 8.190 nan 0.000 0.476 270 P HA -0.278 nan 4.420 nan 0.000 0.217 270 P C 1.213 178.270 177.300 -0.406 0.000 1.158 270 P CA 2.134 64.819 63.100 -0.692 0.000 0.887 270 P CB 0.018 31.192 31.700 -0.876 0.000 0.792 271 A N -2.081 120.517 122.820 -0.369 0.000 3.396 271 A HA -0.319 4.002 4.320 0.001 0.000 0.267 271 A C 1.686 179.241 177.584 -0.049 0.000 1.139 271 A CA 1.538 53.489 52.037 -0.143 0.000 1.115 271 A CB -2.695 16.235 19.000 -0.116 0.000 1.133 271 A HN 0.353 nan 8.150 nan 0.000 0.920 272 D N -1.604 118.765 120.400 -0.053 0.000 2.219 272 D HA -0.100 4.540 4.640 0.001 0.000 0.205 272 D C 0.171 176.627 176.300 0.259 0.000 0.970 272 D CA 0.808 54.863 54.000 0.091 0.000 0.851 272 D CB -0.036 40.833 40.800 0.114 0.000 0.943 272 D HN 0.616 nan 8.370 nan 0.000 0.488 273 W N 1.861 123.128 121.300 -0.055 0.000 2.345 273 W HA 0.218 4.879 4.660 0.001 0.000 0.308 273 W C 1.431 177.926 176.519 -0.039 0.000 1.273 273 W CA -0.773 56.543 57.345 -0.049 0.000 1.243 273 W CB 0.781 30.196 29.460 -0.074 0.000 1.260 273 W HN -0.032 nan 8.180 nan 0.000 0.509 274 Q N 1.009 120.899 119.800 0.149 0.000 2.204 274 Q HA -0.053 4.288 4.340 0.001 0.000 0.198 274 Q C -0.198 175.835 176.000 0.056 0.000 0.946 274 Q CA 1.092 56.941 55.803 0.076 0.000 0.859 274 Q CB 0.346 29.106 28.738 0.037 0.000 0.946 274 Q HN 0.386 nan 8.270 nan 0.000 0.474 275 D N -0.218 120.204 120.400 0.037 0.000 2.472 275 D HA 0.343 4.984 4.640 0.001 0.000 0.248 275 D C -1.350 174.951 176.300 0.001 0.000 1.271 275 D CA -0.172 53.838 54.000 0.017 0.000 0.888 275 D CB 0.600 41.396 40.800 -0.008 0.000 1.337 275 D HN 0.071 nan 8.370 nan 0.000 0.526 276 A N 2.323 125.183 122.820 0.066 0.000 2.520 276 A HA 0.340 4.660 4.320 0.001 0.000 0.245 276 A C 0.426 178.028 177.584 0.029 0.000 1.072 276 A CA -0.036 52.051 52.037 0.085 0.000 0.761 276 A CB 0.395 19.526 19.000 0.220 0.000 1.004 276 A HN 0.428 nan 8.150 nan 0.000 0.499 277 E N 2.269 122.466 120.200 -0.005 0.000 2.130 277 E HA 0.413 4.764 4.350 0.001 0.000 0.284 277 E C -0.866 175.756 176.600 0.036 0.000 1.018 277 E CA -0.250 56.150 56.400 0.000 0.000 0.817 277 E CB 0.828 30.511 29.700 -0.029 0.000 1.078 277 E HN 0.350 nan 8.360 nan 0.000 0.396 278 V N 7.470 127.404 119.914 0.034 0.000 2.427 278 V HA 0.054 4.175 4.120 0.001 0.000 0.268 278 V C 1.121 177.238 176.094 0.038 0.000 1.046 278 V CA 0.102 62.426 62.300 0.041 0.000 0.970 278 V CB 0.681 32.516 31.823 0.021 0.000 1.001 278 V HN 0.826 nan 8.190 nan 0.000 0.476 279 L N 3.936 125.193 121.223 0.057 0.000 2.408 279 L HA 0.513 4.854 4.340 0.001 0.000 0.215 279 L C 0.892 177.800 176.870 0.062 0.000 1.081 279 L CA 0.671 55.546 54.840 0.058 0.000 0.840 279 L CB 0.138 42.243 42.059 0.077 0.000 1.002 279 L HN 0.740 nan 8.230 nan 0.000 0.468 280 A N 0.255 123.114 122.820 0.065 0.000 2.589 280 A HA 0.611 4.932 4.320 0.001 0.000 0.296 280 A C -1.891 175.718 177.584 0.043 0.000 1.062 280 A CA -0.562 51.515 52.037 0.067 0.000 0.686 280 A CB 1.566 20.633 19.000 0.112 0.000 1.282 280 A HN 0.132 nan 8.150 nan 0.000 0.404 281 D N -0.499 119.927 120.400 0.044 0.000 2.643 281 D HA 0.683 5.324 4.640 0.001 0.000 0.283 281 D C -0.909 175.449 176.300 0.097 0.000 1.242 281 D CA -0.301 53.720 54.000 0.035 0.000 0.863 281 D CB 0.950 41.745 40.800 -0.008 0.000 1.382 281 D HN 0.748 nan 8.370 nan 0.000 0.444 282 H N -1.737 117.306 119.070 -0.045 0.000 3.029 282 H HA 0.628 5.185 4.556 0.001 0.000 0.358 282 H C -1.582 173.714 175.328 -0.053 0.000 1.129 282 H CA -0.286 55.740 56.048 -0.037 0.000 1.230 282 H CB 2.125 31.871 29.762 -0.027 0.000 1.827 282 H HN 0.354 nan 8.280 nan 0.000 0.530 283 T N 3.672 117.831 114.554 -0.658 0.000 2.779 283 T HA 0.372 4.723 4.350 0.001 0.000 0.280 283 T C -0.015 174.304 174.700 -0.635 0.000 0.987 283 T CA -0.432 61.367 62.100 -0.502 0.000 0.966 283 T CB 0.835 69.534 68.868 -0.281 0.000 0.933 283 T HN 0.745 nan 8.240 nan 0.000 0.442 284 S N 2.836 118.327 115.700 -0.348 0.000 2.617 284 S HA 0.631 5.102 4.470 0.001 0.000 0.255 284 S C 0.809 175.347 174.600 -0.105 0.000 1.318 284 S CA -0.655 57.446 58.200 -0.166 0.000 0.978 284 S CB 0.289 63.486 63.200 -0.005 0.000 0.961 284 S HN 0.925 nan 8.310 nan 0.000 0.582 285 A N 0.333 123.126 122.820 -0.044 0.000 2.366 285 A HA 0.334 4.654 4.320 0.001 0.000 0.250 285 A C 0.446 178.035 177.584 0.008 0.000 1.099 285 A CA -0.408 51.623 52.037 -0.011 0.000 0.794 285 A CB -0.374 18.636 19.000 0.016 0.000 1.056 285 A HN 0.889 nan 8.150 nan 0.000 0.499 286 E N -0.616 119.594 120.200 0.017 0.000 2.343 286 E HA 0.159 4.510 4.350 0.001 0.000 0.269 286 E C 0.724 177.372 176.600 0.080 0.000 1.047 286 E CA -0.547 55.870 56.400 0.027 0.000 0.874 286 E CB 0.872 30.583 29.700 0.019 0.000 1.033 286 E HN 0.572 nan 8.360 nan 0.000 0.409 287 L N 3.201 124.493 121.223 0.115 0.000 2.189 287 L HA -0.230 4.111 4.340 0.001 0.000 0.214 287 L C 2.016 178.963 176.870 0.128 0.000 1.097 287 L CA 2.152 57.088 54.840 0.160 0.000 0.764 287 L CB -0.559 41.613 42.059 0.188 0.000 0.900 287 L HN 0.588 nan 8.230 nan 0.000 0.436 288 S N -1.887 113.880 115.700 0.111 0.000 2.447 288 S HA -0.079 4.392 4.470 0.001 0.000 0.233 288 S C 1.647 176.324 174.600 0.128 0.000 1.006 288 S CA 0.776 59.048 58.200 0.120 0.000 0.957 288 S CB -0.407 62.861 63.200 0.113 0.000 0.773 288 S HN 0.553 nan 8.310 nan 0.000 0.507 289 E N 1.744 122.015 120.200 0.118 0.000 2.086 289 E HA 0.193 4.543 4.350 0.001 0.000 0.190 289 E C 2.080 178.780 176.600 0.166 0.000 0.975 289 E CA 0.532 57.013 56.400 0.133 0.000 0.813 289 E CB -0.576 29.189 29.700 0.109 0.000 0.768 289 E HN 0.557 nan 8.360 nan 0.000 0.457 290 I N 1.440 122.083 120.570 0.122 0.000 2.423 290 I HA -0.236 3.935 4.170 0.001 0.000 0.254 290 I C 2.292 178.538 176.117 0.216 0.000 1.151 290 I CA 0.775 62.130 61.300 0.092 0.000 1.421 290 I CB -0.230 37.745 38.000 -0.043 0.000 1.079 290 I HN 0.031 nan 8.210 nan 0.000 0.431 291 L N -0.187 121.178 121.223 0.237 0.000 2.275 291 L HA -0.155 4.186 4.340 0.001 0.000 0.215 291 L C 2.411 179.429 176.870 0.247 0.000 1.119 291 L CA 0.804 55.832 54.840 0.315 0.000 0.790 291 L CB -0.355 41.841 42.059 0.228 0.000 0.919 291 L HN 0.154 nan 8.230 nan 0.000 0.443 292 V N 0.610 120.666 119.914 0.237 0.000 2.239 292 V HA -0.115 4.006 4.120 0.001 0.000 0.242 292 V C -0.147 176.088 176.094 0.235 0.000 1.038 292 V CA 1.647 64.067 62.300 0.201 0.000 1.002 292 V CB -1.726 30.256 31.823 0.264 0.000 0.641 292 V HN 0.316 nan 8.190 nan 0.000 0.449 293 P HA -0.242 nan 4.420 nan 0.000 0.216 293 P C 1.795 179.389 177.300 0.489 0.000 1.150 293 P CA 1.878 65.304 63.100 0.544 0.000 0.843 293 P CB -0.207 31.950 31.700 0.761 0.000 0.787 294 F N 0.023 120.194 119.950 0.367 0.000 2.075 294 F HA -0.167 4.361 4.527 0.002 0.000 0.297 294 F C 2.142 178.017 175.800 0.125 0.000 1.113 294 F CA 1.520 59.723 58.000 0.339 0.000 1.218 294 F CB -0.329 38.908 39.000 0.395 0.000 0.984 294 F HN -0.291 nan 8.300 nan 0.000 0.472 295 M N 0.331 119.764 119.600 -0.280 0.000 2.287 295 M HA -0.051 4.430 4.480 0.001 0.000 0.266 295 M C 1.938 178.022 176.300 -0.359 0.000 1.079 295 M CA 1.052 56.062 55.300 -0.482 0.000 1.146 295 M CB -0.913 31.420 32.600 -0.444 0.000 1.374 295 M HN 0.081 nan 8.290 nan 0.000 0.435 296 K N 0.127 120.309 120.400 -0.363 0.000 2.057 296 K HA -0.069 4.252 4.320 0.001 0.000 0.207 296 K C 1.593 177.769 176.600 -0.705 0.000 1.049 296 K CA 1.432 57.347 56.287 -0.620 0.000 0.931 296 K CB -0.295 31.652 32.500 -0.922 0.000 0.714 296 K HN 0.310 nan 8.250 nan 0.000 0.440 297 F N 0.014 119.867 119.950 -0.162 0.000 2.678 297 F HA 0.231 4.759 4.527 0.002 0.000 0.305 297 F C 0.446 176.177 175.800 -0.116 0.000 1.090 297 F CA -0.415 57.497 58.000 -0.147 0.000 1.272 297 F CB 0.270 39.172 39.000 -0.163 0.000 1.060 297 F HN -0.244 nan 8.300 nan 0.000 0.576 298 S N 1.418 117.106 115.700 -0.020 0.000 3.734 298 S HA -0.274 4.197 4.470 0.001 0.000 0.531 298 S C -0.175 174.454 174.600 0.048 0.000 0.757 298 S CA -0.065 58.102 58.200 -0.055 0.000 1.388 298 S CB -1.741 61.415 63.200 -0.074 0.000 0.878 298 S HN 0.591 nan 8.310 nan 0.000 0.735 299 N N 2.228 121.015 118.700 0.145 0.000 2.437 299 N HA 0.350 5.090 4.740 0.001 0.000 0.243 299 N C 1.163 176.820 175.510 0.245 0.000 1.041 299 N CA -0.730 52.396 53.050 0.128 0.000 0.940 299 N CB 0.397 38.796 38.487 -0.146 0.000 1.133 299 N HN 0.407 nan 8.380 nan 0.000 0.506 300 N N 2.353 121.149 118.700 0.159 0.000 2.120 300 N HA -0.114 4.627 4.740 0.001 0.000 0.188 300 N C 1.798 177.452 175.510 0.240 0.000 1.024 300 N CA 1.167 54.334 53.050 0.196 0.000 0.852 300 N CB -0.402 38.150 38.487 0.108 0.000 1.003 300 N HN 0.685 nan 8.380 nan 0.000 0.424 301 G N 0.614 109.519 108.800 0.175 0.000 2.418 301 G HA2 -0.259 3.702 3.960 0.001 0.000 0.217 301 G HA3 -0.259 3.702 3.960 0.001 0.000 0.217 301 G C 1.246 176.278 174.900 0.221 0.000 1.158 301 G CA 0.869 46.090 45.100 0.201 0.000 0.771 301 G HN 0.354 nan 8.290 nan 0.000 0.545 302 H N 1.090 120.196 119.070 0.060 0.000 2.290 302 H HA -0.000 4.557 4.556 0.001 0.000 0.298 302 H C 2.913 178.040 175.328 -0.336 0.000 1.087 302 H CA 1.182 57.108 56.048 -0.203 0.000 1.291 302 H CB -0.882 28.659 29.762 -0.367 0.000 1.369 302 H HN 0.365 nan 8.280 nan 0.000 0.492 303 A N 1.372 124.164 122.820 -0.046 0.000 1.902 303 A HA -0.166 4.154 4.320 0.001 0.000 0.217 303 A C 2.259 179.920 177.584 0.129 0.000 1.181 303 A CA 1.742 53.816 52.037 0.062 0.000 0.623 303 A CB -0.133 19.121 19.000 0.424 0.000 0.818 303 A HN 0.349 nan 8.150 nan 0.000 0.443 304 E N -0.351 119.979 120.200 0.218 0.000 2.107 304 E HA -0.112 4.239 4.350 0.001 0.000 0.191 304 E C 2.075 178.653 176.600 -0.036 0.000 0.982 304 E CA 1.074 57.625 56.400 0.251 0.000 0.809 304 E CB -0.465 29.522 29.700 0.479 0.000 0.756 304 E HN 0.717 nan 8.360 nan 0.000 0.459 305 M N 0.338 119.937 119.600 -0.002 0.000 2.159 305 M HA -0.109 4.372 4.480 0.001 0.000 0.263 305 M C 2.371 178.639 176.300 -0.053 0.000 1.063 305 M CA 1.186 56.484 55.300 -0.004 0.000 1.110 305 M CB -0.277 32.391 32.600 0.113 0.000 1.374 305 M HN 0.047 nan 8.290 nan 0.000 0.411 306 L N -0.943 120.239 121.223 -0.068 0.000 2.141 306 L HA -0.142 4.199 4.340 0.001 0.000 0.209 306 L C 2.388 179.233 176.870 -0.043 0.000 1.094 306 L CA 0.536 55.357 54.840 -0.032 0.000 0.763 306 L CB -0.580 41.427 42.059 -0.088 0.000 0.908 306 L HN 0.084 nan 8.230 nan 0.000 0.437 307 V N 0.132 120.007 119.914 -0.065 0.000 2.392 307 V HA -0.293 3.828 4.120 0.001 0.000 0.249 307 V C 2.403 178.363 176.094 -0.224 0.000 1.059 307 V CA 1.802 64.060 62.300 -0.069 0.000 1.051 307 V CB -0.417 31.433 31.823 0.045 0.000 0.658 307 V HN 0.446 nan 8.190 nan 0.000 0.455 308 K N -0.672 119.445 120.400 -0.471 0.000 2.243 308 K HA -0.004 4.317 4.320 0.001 0.000 0.201 308 K C 2.322 178.615 176.600 -0.513 0.000 1.051 308 K CA 1.099 56.928 56.287 -0.764 0.000 0.970 308 K CB -0.111 31.464 32.500 -1.541 0.000 0.755 308 K HN 0.352 nan 8.250 nan 0.000 0.465 309 S N 1.605 117.209 115.700 -0.160 0.000 2.402 309 S HA -0.054 4.417 4.470 0.001 0.000 0.229 309 S C 1.915 176.552 174.600 0.061 0.000 1.021 309 S CA 0.890 59.230 58.200 0.234 0.000 0.974 309 S CB -0.135 63.359 63.200 0.490 0.000 0.800 309 S HN 0.197 nan 8.310 nan 0.000 0.484 310 I N 1.436 121.991 120.570 -0.025 0.000 2.394 310 I HA -0.130 4.041 4.170 0.001 0.000 0.251 310 I C 2.553 178.630 176.117 -0.067 0.000 1.136 310 I CA 1.022 62.297 61.300 -0.041 0.000 1.425 310 I CB -0.551 37.432 38.000 -0.029 0.000 1.079 310 I HN 0.365 nan 8.210 nan 0.000 0.425 311 G N -0.413 108.314 108.800 -0.121 0.000 2.408 311 G HA2 -0.208 3.753 3.960 0.001 0.000 0.217 311 G HA3 -0.208 3.753 3.960 0.001 0.000 0.217 311 G C 1.586 176.397 174.900 -0.148 0.000 1.150 311 G CA 0.235 45.250 45.100 -0.142 0.000 0.776 311 G HN 0.260 nan 8.290 nan 0.000 0.542 312 Q N -0.030 119.665 119.800 -0.175 0.000 2.119 312 Q HA -0.083 4.258 4.340 0.001 0.000 0.201 312 Q C 2.391 178.339 176.000 -0.087 0.000 0.972 312 Q CA 1.446 57.114 55.803 -0.224 0.000 0.847 312 Q CB -0.133 28.364 28.738 -0.402 0.000 0.903 312 Q HN 0.568 nan 8.270 nan 0.000 0.433 313 E N -0.448 119.740 120.200 -0.020 0.000 2.274 313 E HA -0.060 4.291 4.350 0.001 0.000 0.194 313 E C 1.459 178.051 176.600 -0.014 0.000 0.996 313 E CA 1.130 57.534 56.400 0.006 0.000 0.840 313 E CB 0.141 29.835 29.700 -0.010 0.000 0.772 313 E HN 0.109 nan 8.360 nan 0.000 0.491 314 T N -1.638 112.896 114.554 -0.034 0.000 3.033 314 T HA 0.360 4.711 4.350 0.001 0.000 0.248 314 T C 0.929 175.609 174.700 -0.032 0.000 1.040 314 T CA 0.793 62.876 62.100 -0.029 0.000 1.133 314 T CB 0.321 69.171 68.868 -0.030 0.000 0.895 314 T HN 0.197 nan 8.240 nan 0.000 0.465 315 A N -0.620 122.170 122.820 -0.051 0.000 2.733 315 A HA 0.593 4.913 4.320 0.001 0.000 0.232 315 A C 1.303 178.845 177.584 -0.069 0.000 1.251 315 A CA 0.617 52.624 52.037 -0.051 0.000 1.015 315 A CB -0.082 18.888 19.000 -0.050 0.000 1.291 315 A HN 0.616 nan 8.150 nan 0.000 0.595 316 G N -0.706 108.039 108.800 -0.091 0.000 2.179 316 G HA2 0.177 4.138 3.960 0.001 0.000 0.257 316 G HA3 0.177 4.138 3.960 0.001 0.000 0.257 316 G C 0.294 175.094 174.900 -0.167 0.000 1.010 316 G CA 0.525 45.551 45.100 -0.124 0.000 0.736 316 G HN 1.967 nan 8.290 nan 0.000 0.513 317 A N -0.467 122.248 122.820 -0.176 0.000 2.359 317 A HA 0.808 5.129 4.320 0.001 0.000 0.303 317 A C 0.529 177.968 177.584 -0.242 0.000 1.066 317 A CA 0.353 52.279 52.037 -0.185 0.000 0.730 317 A CB 1.583 20.507 19.000 -0.126 0.000 1.211 317 A HN 1.658 nan 8.150 nan 0.000 0.439 318 G N 2.370 111.001 108.800 -0.282 0.000 3.506 318 G HA2 0.465 4.425 3.960 0.001 0.000 0.268 318 G HA3 0.465 4.425 3.960 0.001 0.000 0.268 318 G C 0.215 174.885 174.900 -0.383 0.000 0.959 318 G CA 0.476 45.362 45.100 -0.356 0.000 1.823 318 G HN 1.054 nan 8.290 nan 0.000 0.615 319 T N -3.541 110.811 114.554 -0.337 0.000 2.916 319 T HA 0.357 4.708 4.350 0.001 0.000 0.292 319 T C 0.621 175.165 174.700 -0.259 0.000 1.064 319 T CA -0.927 61.009 62.100 -0.273 0.000 1.011 319 T CB 1.855 70.650 68.868 -0.121 0.000 1.152 319 T HN 0.190 nan 8.240 nan 0.000 0.510 320 W N 0.719 121.916 121.300 -0.172 0.000 2.381 320 W HA -0.030 4.631 4.660 0.001 0.000 0.301 320 W C 1.444 177.893 176.519 -0.117 0.000 1.205 320 W CA 1.331 58.585 57.345 -0.152 0.000 1.285 320 W CB -0.647 28.718 29.460 -0.158 0.000 1.133 320 W HN 0.793 nan 8.180 nan 0.000 0.521 321 D N -0.172 120.296 120.400 0.114 0.000 2.104 321 D HA -0.141 4.500 4.640 0.001 0.000 0.194 321 D C 2.304 178.607 176.300 0.007 0.000 0.994 321 D CA 2.250 56.276 54.000 0.043 0.000 0.830 321 D CB -0.704 40.107 40.800 0.018 0.000 0.959 321 D HN -0.019 nan 8.370 nan 0.000 0.452 322 A N 0.248 123.052 122.820 -0.026 0.000 1.898 322 A HA 0.052 4.373 4.320 0.001 0.000 0.216 322 A C 2.342 179.898 177.584 -0.046 0.000 1.181 322 A CA 1.939 53.948 52.037 -0.047 0.000 0.620 322 A CB -1.025 17.928 19.000 -0.079 0.000 0.819 322 A HN 0.303 nan 8.150 nan 0.000 0.442 323 G N -0.432 108.331 108.800 -0.062 0.000 2.402 323 G HA2 -0.087 3.874 3.960 0.001 0.000 0.216 323 G HA3 -0.087 3.874 3.960 0.001 0.000 0.216 323 G C 1.332 176.235 174.900 0.005 0.000 1.162 323 G CA 1.011 46.079 45.100 -0.053 0.000 0.777 323 G HN 0.324 nan 8.290 nan 0.000 0.539 324 L N 0.702 121.949 121.223 0.039 0.000 2.141 324 L HA 0.037 4.377 4.340 0.001 0.000 0.209 324 L C 3.090 179.973 176.870 0.022 0.000 1.094 324 L CA 0.694 55.563 54.840 0.048 0.000 0.763 324 L CB -0.829 41.265 42.059 0.058 0.000 0.908 324 L HN 0.101 nan 8.230 nan 0.000 0.437 325 V N -0.230 119.690 119.914 0.009 0.000 2.295 325 V HA -0.228 3.893 4.120 0.001 0.000 0.246 325 V C 2.571 178.668 176.094 0.005 0.000 1.049 325 V CA 1.874 64.175 62.300 0.002 0.000 1.024 325 V CB -1.276 30.543 31.823 -0.006 0.000 0.648 325 V HN 0.548 nan 8.190 nan 0.000 0.447 326 G N -0.317 108.484 108.800 0.002 0.000 2.422 326 G HA2 -0.197 3.764 3.960 0.001 0.000 0.218 326 G HA3 -0.197 3.764 3.960 0.001 0.000 0.218 326 G C 1.660 176.573 174.900 0.022 0.000 1.146 326 G CA 1.193 46.296 45.100 0.005 0.000 0.769 326 G HN 0.384 nan 8.290 nan 0.000 0.547 327 V N 0.822 120.756 119.914 0.034 0.000 2.252 327 V HA -0.221 3.900 4.120 0.001 0.000 0.249 327 V C 2.717 178.849 176.094 0.062 0.000 1.056 327 V CA 2.221 64.558 62.300 0.061 0.000 1.022 327 V CB -0.441 31.430 31.823 0.079 0.000 0.641 327 V HN 0.401 nan 8.190 nan 0.000 0.445 328 E N 0.317 120.541 120.200 0.039 0.000 2.058 328 E HA -0.259 4.092 4.350 0.001 0.000 0.194 328 E C 2.235 178.856 176.600 0.035 0.000 0.997 328 E CA 1.902 58.319 56.400 0.029 0.000 0.801 328 E CB -0.107 29.598 29.700 0.008 0.000 0.746 328 E HN 0.735 nan 8.360 nan 0.000 0.450 329 E N -0.074 120.143 120.200 0.029 0.000 2.072 329 E HA -0.147 4.204 4.350 0.001 0.000 0.191 329 E C 2.037 178.661 176.600 0.040 0.000 0.985 329 E CA 0.919 57.335 56.400 0.028 0.000 0.801 329 E CB -0.129 29.582 29.700 0.018 0.000 0.750 329 E HN 0.302 nan 8.360 nan 0.000 0.452 330 A N 1.130 123.979 122.820 0.048 0.000 1.902 330 A HA -0.183 4.138 4.320 0.001 0.000 0.217 330 A C 2.176 179.811 177.584 0.084 0.000 1.181 330 A CA 1.133 53.209 52.037 0.065 0.000 0.623 330 A CB -0.655 18.383 19.000 0.062 0.000 0.818 330 A HN 0.124 nan 8.150 nan 0.000 0.443 331 L N -0.315 120.965 121.223 0.094 0.000 1.994 331 L HA -0.191 4.150 4.340 0.001 0.000 0.208 331 L C 2.921 179.842 176.870 0.085 0.000 1.071 331 L CA 1.644 56.553 54.840 0.115 0.000 0.745 331 L CB -0.640 41.512 42.059 0.155 0.000 0.892 331 L HN 0.350 nan 8.230 nan 0.000 0.431 332 S N 0.238 115.976 115.700 0.063 0.000 2.374 332 S HA -0.185 4.286 4.470 0.001 0.000 0.227 332 S C 1.968 176.592 174.600 0.039 0.000 1.037 332 S CA 1.365 59.592 58.200 0.045 0.000 1.024 332 S CB -0.879 62.340 63.200 0.032 0.000 0.861 332 S HN 0.628 nan 8.310 nan 0.000 0.456 333 G N 0.607 109.433 108.800 0.043 0.000 2.509 333 G HA2 -0.048 3.913 3.960 0.001 0.000 0.218 333 G HA3 -0.048 3.913 3.960 0.001 0.000 0.218 333 G C 1.126 176.049 174.900 0.040 0.000 1.124 333 G CA 0.251 45.374 45.100 0.038 0.000 0.776 333 G HN 0.419 nan 8.290 nan 0.000 0.547 334 L N 0.161 121.414 121.223 0.051 0.000 2.592 334 L HA 0.401 4.742 4.340 0.001 0.000 0.227 334 L C 1.817 178.694 176.870 0.012 0.000 1.127 334 L CA 0.990 55.854 54.840 0.039 0.000 0.884 334 L CB 0.005 42.112 42.059 0.079 0.000 1.065 334 L HN 0.338 nan 8.230 nan 0.000 0.457 335 G N -1.203 107.609 108.800 0.020 0.000 2.179 335 G HA2 -0.196 3.765 3.960 0.001 0.000 0.220 335 G HA3 -0.196 3.765 3.960 0.001 0.000 0.220 335 G C 0.133 175.048 174.900 0.025 0.000 0.990 335 G CA 0.074 45.182 45.100 0.013 0.000 0.646 335 G HN 0.155 nan 8.290 nan 0.000 0.517 336 V N 1.342 121.283 119.914 0.044 0.000 2.546 336 V HA 0.471 4.592 4.120 0.001 0.000 0.284 336 V C 0.383 176.512 176.094 0.059 0.000 1.050 336 V CA -0.412 61.928 62.300 0.065 0.000 0.981 336 V CB 1.732 33.622 31.823 0.112 0.000 0.990 336 V HN 0.330 nan 8.190 nan 0.000 0.474 337 D N 3.331 123.763 120.400 0.054 0.000 2.325 337 D HA 0.147 4.788 4.640 0.001 0.000 0.251 337 D C 0.990 177.315 176.300 0.041 0.000 1.196 337 D CA -0.071 53.953 54.000 0.040 0.000 0.866 337 D CB 1.354 42.174 40.800 0.032 0.000 1.101 337 D HN 0.731 nan 8.370 nan 0.000 0.476 338 T N 1.024 115.593 114.554 0.024 0.000 3.251 338 T HA 0.406 4.757 4.350 0.001 0.000 0.259 338 T C 1.485 176.175 174.700 -0.016 0.000 0.998 338 T CA 0.058 62.158 62.100 0.001 0.000 0.905 338 T CB 0.406 69.272 68.868 -0.003 0.000 1.067 338 T HN 0.245 nan 8.240 nan 0.000 0.569 339 A N 1.742 124.560 122.820 -0.005 0.000 1.902 339 A HA 0.255 4.575 4.320 0.001 0.000 0.217 339 A C 2.426 179.999 177.584 -0.018 0.000 1.181 339 A CA 1.402 53.434 52.037 -0.009 0.000 0.623 339 A CB -1.251 17.748 19.000 -0.000 0.000 0.818 339 A HN 0.639 nan 8.150 nan 0.000 0.443 340 G N -1.370 107.418 108.800 -0.020 0.000 2.985 340 G HA2 0.349 4.310 3.960 0.001 0.000 0.209 340 G HA3 0.349 4.310 3.960 0.001 0.000 0.209 340 G C 0.455 175.321 174.900 -0.056 0.000 1.165 340 G CA -0.277 44.807 45.100 -0.026 0.000 0.776 340 G HN 0.368 nan 8.290 nan 0.000 0.541 341 L N 1.521 122.691 121.223 -0.089 0.000 2.331 341 L HA 0.389 4.729 4.340 0.001 0.000 0.278 341 L C -0.601 176.203 176.870 -0.110 0.000 1.106 341 L CA -0.497 54.252 54.840 -0.153 0.000 0.824 341 L CB 1.964 43.880 42.059 -0.239 0.000 1.142 341 L HN -0.186 nan 8.230 nan 0.000 0.443 342 V N 5.867 125.717 119.914 -0.106 0.000 2.376 342 V HA 0.358 4.479 4.120 0.001 0.000 0.287 342 V C -0.048 175.997 176.094 -0.082 0.000 1.015 342 V CA -0.467 61.788 62.300 -0.075 0.000 0.834 342 V CB 1.618 33.411 31.823 -0.050 0.000 1.001 342 V HN 0.503 nan 8.190 nan 0.000 0.428 343 L N 4.191 125.371 121.223 -0.072 0.000 2.272 343 L HA 0.537 4.878 4.340 0.001 0.000 0.289 343 L C 0.718 177.561 176.870 -0.045 0.000 1.032 343 L CA -0.183 54.623 54.840 -0.058 0.000 0.810 343 L CB 1.330 43.361 42.059 -0.047 0.000 1.205 343 L HN 0.587 nan 8.230 nan 0.000 0.422 344 N N 0.545 119.217 118.700 -0.046 0.000 2.419 344 N HA 0.017 4.758 4.740 0.001 0.000 0.216 344 N C -0.619 174.799 175.510 -0.153 0.000 1.118 344 N CA 0.170 53.164 53.050 -0.093 0.000 0.850 344 N CB 0.846 39.283 38.487 -0.084 0.000 1.292 344 N HN 0.822 nan 8.380 nan 0.000 0.467 345 D N -2.937 117.434 120.400 -0.048 0.000 2.664 345 D HA 0.350 4.991 4.640 0.001 0.000 0.292 345 D C 0.768 177.166 176.300 0.163 0.000 1.214 345 D CA -0.655 53.345 54.000 -0.000 0.000 0.932 345 D CB 0.501 41.308 40.800 0.011 0.000 1.420 345 D HN -0.071 nan 8.370 nan 0.000 0.471 346 G N -1.251 107.717 108.800 0.281 0.000 2.662 346 G HA2 0.020 3.981 3.960 0.001 0.000 0.212 346 G HA3 0.020 3.981 3.960 0.001 0.000 0.212 346 G C 1.070 176.151 174.900 0.302 0.000 1.141 346 G CA 0.777 46.048 45.100 0.285 0.000 0.797 346 G HN 0.560 nan 8.290 nan 0.000 0.531 347 S N -1.154 114.735 115.700 0.314 0.000 2.486 347 S HA 0.375 4.846 4.470 0.001 0.000 0.220 347 S C 1.936 176.639 174.600 0.173 0.000 1.011 347 S CA 1.127 59.492 58.200 0.274 0.000 0.921 347 S CB 0.204 63.572 63.200 0.279 0.000 0.785 347 S HN 1.380 nan 8.310 nan 0.000 0.517 348 G N 1.258 110.152 108.800 0.158 0.000 2.213 348 G HA2 -0.247 3.714 3.960 0.001 0.000 0.236 348 G HA3 -0.247 3.714 3.960 0.001 0.000 0.236 348 G C 0.632 175.545 174.900 0.021 0.000 0.991 348 G CA 0.279 45.430 45.100 0.085 0.000 0.629 348 G HN 0.436 nan 8.290 nan 0.000 0.517 349 L N 0.964 122.185 121.223 -0.003 0.000 2.043 349 L HA 0.029 4.370 4.340 0.001 0.000 0.212 349 L C 1.885 178.695 176.870 -0.099 0.000 1.075 349 L CA 1.787 56.519 54.840 -0.180 0.000 0.752 349 L CB -0.486 41.267 42.059 -0.511 0.000 0.891 349 L HN 0.411 nan 8.230 nan 0.000 0.432 350 S N -0.456 115.356 115.700 0.186 0.000 2.549 350 S HA 0.036 4.507 4.470 0.001 0.000 0.283 350 S C 1.125 175.760 174.600 0.057 0.000 1.320 350 S CA -0.276 58.056 58.200 0.221 0.000 1.058 350 S CB 0.563 63.888 63.200 0.208 0.000 0.882 350 S HN 0.242 nan 8.310 nan 0.000 0.498 351 R N 3.127 123.651 120.500 0.040 0.000 2.310 351 R HA 0.093 4.434 4.340 0.001 0.000 0.202 351 R C 1.801 178.126 176.300 0.041 0.000 0.933 351 R CA 0.449 56.564 56.100 0.025 0.000 1.054 351 R CB -0.060 30.269 30.300 0.049 0.000 0.985 351 R HN 0.698 nan 8.270 nan 0.000 0.489 352 G N 0.395 109.218 108.800 0.037 0.000 2.985 352 G HA2 -0.055 3.906 3.960 0.001 0.000 0.209 352 G HA3 -0.055 3.906 3.960 0.001 0.000 0.209 352 G C 0.278 175.175 174.900 -0.005 0.000 1.165 352 G CA -0.281 44.827 45.100 0.012 0.000 0.776 352 G HN 0.126 nan 8.290 nan 0.000 0.541 353 N N 0.498 119.198 118.700 0.001 0.000 2.529 353 N HA 0.506 5.247 4.740 0.001 0.000 0.278 353 N C -0.540 174.960 175.510 -0.016 0.000 1.146 353 N CA 0.140 53.183 53.050 -0.012 0.000 0.980 353 N CB 1.829 40.320 38.487 0.006 0.000 1.124 353 N HN 0.030 nan 8.380 nan 0.000 0.458 354 L N 0.707 121.907 121.223 -0.039 0.000 2.393 354 L HA 0.669 5.010 4.340 0.001 0.000 0.260 354 L C -0.113 176.717 176.870 -0.067 0.000 1.002 354 L CA -1.067 53.752 54.840 -0.035 0.000 0.818 354 L CB 2.078 44.121 42.059 -0.027 0.000 1.369 354 L HN 0.264 nan 8.230 nan 0.000 0.412 355 V N -1.767 118.127 119.914 -0.034 0.000 3.165 355 V HA 0.896 5.017 4.120 0.001 0.000 0.309 355 V C -0.536 175.566 176.094 0.014 0.000 1.267 355 V CA -0.426 61.852 62.300 -0.036 0.000 1.067 355 V CB 2.116 33.955 31.823 0.028 0.000 1.082 355 V HN 0.873 nan 8.190 nan 0.000 0.451 356 T N -1.923 112.655 114.554 0.040 0.000 2.930 356 T HA 0.802 5.153 4.350 0.001 0.000 0.290 356 T C 0.852 175.607 174.700 0.091 0.000 1.052 356 T CA -0.082 62.052 62.100 0.056 0.000 1.017 356 T CB 1.713 70.605 68.868 0.040 0.000 1.137 356 T HN 1.798 nan 8.240 nan 0.000 0.511 357 A N 0.641 123.508 122.820 0.078 0.000 2.014 357 A HA 0.052 4.373 4.320 0.001 0.000 0.218 357 A C 1.895 179.525 177.584 0.078 0.000 1.163 357 A CA 1.158 53.244 52.037 0.082 0.000 0.652 357 A CB -0.864 18.183 19.000 0.078 0.000 0.808 357 A HN 0.895 nan 8.150 nan 0.000 0.449 358 D N -0.117 120.325 120.400 0.070 0.000 2.097 358 D HA -0.106 4.535 4.640 0.001 0.000 0.195 358 D C 1.973 178.324 176.300 0.084 0.000 0.989 358 D CA 1.933 55.971 54.000 0.064 0.000 0.827 358 D CB -0.530 40.299 40.800 0.049 0.000 0.966 358 D HN 0.386 nan 8.370 nan 0.000 0.456 359 T N 0.771 115.392 114.554 0.113 0.000 2.720 359 T HA -0.112 4.239 4.350 0.001 0.000 0.268 359 T C 2.264 177.119 174.700 0.259 0.000 1.037 359 T CA 0.956 63.164 62.100 0.180 0.000 1.144 359 T CB -0.349 68.624 68.868 0.175 0.000 0.864 359 T HN -0.011 nan 8.240 nan 0.000 0.444 360 V N 0.951 121.007 119.914 0.236 0.000 2.358 360 V HA -0.112 4.009 4.120 0.001 0.000 0.246 360 V C 2.661 178.744 176.094 -0.019 0.000 1.047 360 V CA 1.131 63.488 62.300 0.095 0.000 1.035 360 V CB -0.742 31.118 31.823 0.061 0.000 0.658 360 V HN 0.298 nan 8.190 nan 0.000 0.452 361 V N 0.429 120.349 119.914 0.009 0.000 2.427 361 V HA -0.259 3.862 4.120 0.001 0.000 0.248 361 V C 2.398 178.497 176.094 0.010 0.000 1.051 361 V CA 2.285 64.579 62.300 -0.011 0.000 1.048 361 V CB -0.586 31.248 31.823 0.020 0.000 0.666 361 V HN 0.607 nan 8.190 nan 0.000 0.456 362 D N 0.054 120.477 120.400 0.039 0.000 2.092 362 D HA -0.193 4.448 4.640 0.001 0.000 0.193 362 D C 2.037 178.352 176.300 0.025 0.000 0.994 362 D CA 1.674 55.700 54.000 0.043 0.000 0.828 362 D CB -0.270 40.570 40.800 0.067 0.000 0.963 362 D HN 0.292 nan 8.370 nan 0.000 0.450 363 L N 0.442 121.680 121.223 0.025 0.000 2.013 363 L HA -0.155 4.186 4.340 0.001 0.000 0.212 363 L C 2.347 179.181 176.870 -0.061 0.000 1.073 363 L CA 1.622 56.440 54.840 -0.037 0.000 0.753 363 L CB -0.741 41.226 42.059 -0.152 0.000 0.890 363 L HN 0.168 nan 8.230 nan 0.000 0.432 364 L N -0.691 120.510 121.223 -0.036 0.000 2.083 364 L HA -0.141 4.200 4.340 0.001 0.000 0.209 364 L C 2.535 179.495 176.870 0.149 0.000 1.083 364 L CA 1.292 56.149 54.840 0.028 0.000 0.752 364 L CB -1.372 40.556 42.059 -0.219 0.000 0.899 364 L HN 0.503 nan 8.230 nan 0.000 0.433 365 G N -1.122 107.722 108.800 0.074 0.000 2.404 365 G HA2 -0.225 3.736 3.960 0.001 0.000 0.215 365 G HA3 -0.225 3.736 3.960 0.001 0.000 0.215 365 G C 1.504 176.403 174.900 -0.002 0.000 1.174 365 G CA 0.201 45.344 45.100 0.072 0.000 0.780 365 G HN 0.246 nan 8.290 nan 0.000 0.537 366 Q N 0.691 120.464 119.800 -0.045 0.000 2.084 366 Q HA 0.021 4.362 4.340 0.001 0.000 0.202 366 Q C 2.909 178.767 176.000 -0.237 0.000 0.978 366 Q CA 1.483 57.221 55.803 -0.109 0.000 0.844 366 Q CB -0.919 27.775 28.738 -0.074 0.000 0.898 366 Q HN 0.443 nan 8.270 nan 0.000 0.426 367 A N 0.625 123.268 122.820 -0.294 0.000 1.969 367 A HA -0.013 4.307 4.320 0.001 0.000 0.218 367 A C 2.268 179.533 177.584 -0.531 0.000 1.169 367 A CA 1.482 53.162 52.037 -0.595 0.000 0.635 367 A CB -0.882 17.520 19.000 -0.998 0.000 0.810 367 A HN 0.435 nan 8.150 nan 0.000 0.445 368 G N -0.448 108.222 108.800 -0.215 0.000 2.559 368 G HA2 -0.013 3.948 3.960 0.001 0.000 0.216 368 G HA3 -0.013 3.948 3.960 0.001 0.000 0.216 368 G C 1.391 176.173 174.900 -0.197 0.000 1.126 368 G CA 1.482 46.494 45.100 -0.147 0.000 0.778 368 G HN 0.950 nan 8.290 nan 0.000 0.543 369 S N -1.283 114.261 115.700 -0.259 0.000 2.666 369 S HA 0.677 5.148 4.470 0.001 0.000 0.239 369 S C 0.938 175.336 174.600 -0.336 0.000 1.031 369 S CA 0.408 58.468 58.200 -0.233 0.000 1.015 369 S CB 0.531 63.637 63.200 -0.158 0.000 0.981 369 S HN 0.468 nan 8.310 nan 0.000 0.547 370 A N 3.006 125.479 122.820 -0.578 0.000 2.313 370 A HA 0.633 4.954 4.320 0.001 0.000 0.261 370 A C -0.838 176.355 177.584 -0.652 0.000 1.090 370 A CA -1.471 50.076 52.037 -0.817 0.000 0.807 370 A CB 0.078 18.055 19.000 -1.704 0.000 1.055 370 A HN 0.299 nan 8.150 nan 0.000 0.492 371 P HA -0.122 nan 4.420 nan 0.000 0.219 371 P C 0.703 177.944 177.300 -0.099 0.000 1.146 371 P CA 1.383 64.351 63.100 -0.221 0.000 0.808 371 P CB -0.110 31.536 31.700 -0.091 0.000 0.779 372 W N -1.628 119.677 121.300 0.009 0.000 3.269 372 W HA 0.672 5.333 4.660 0.002 0.000 0.413 372 W C 0.880 177.445 176.519 0.076 0.000 1.057 372 W CA -0.169 57.204 57.345 0.047 0.000 1.953 372 W CB -1.123 28.374 29.460 0.061 0.000 1.053 372 W HN -0.125 nan 8.180 nan 0.000 0.753 373 A N 1.453 124.310 122.820 0.062 0.000 1.933 373 A HA -0.256 4.065 4.320 0.001 0.000 0.218 373 A C 2.082 179.815 177.584 0.249 0.000 1.175 373 A CA 1.780 53.867 52.037 0.083 0.000 0.628 373 A CB -0.419 18.520 19.000 -0.102 0.000 0.814 373 A HN 0.292 nan 8.150 nan 0.000 0.444 374 Q N -1.286 118.622 119.800 0.180 0.000 2.331 374 Q HA -0.009 4.332 4.340 0.001 0.000 0.203 374 Q C 2.044 178.155 176.000 0.184 0.000 0.944 374 Q CA 1.545 57.438 55.803 0.150 0.000 0.892 374 Q CB -0.379 28.411 28.738 0.086 0.000 0.983 374 Q HN 0.643 nan 8.270 nan 0.000 0.482 375 T N -1.062 113.640 114.554 0.246 0.000 3.023 375 T HA -0.103 4.248 4.350 0.001 0.000 0.266 375 T C 1.222 176.099 174.700 0.295 0.000 1.093 375 T CA 0.652 62.894 62.100 0.237 0.000 1.129 375 T CB -0.273 68.731 68.868 0.226 0.000 0.899 375 T HN 0.588 nan 8.240 nan 0.000 0.491 376 W N 1.117 122.542 121.300 0.209 0.000 2.407 376 W HA -0.038 4.623 4.660 0.001 0.000 0.305 376 W C 2.084 178.684 176.519 0.135 0.000 1.196 376 W CA 1.038 58.509 57.345 0.210 0.000 1.311 376 W CB -0.551 29.144 29.460 0.392 0.000 1.135 376 W HN 0.265 nan 8.180 nan 0.000 0.514 377 S N 0.884 116.691 115.700 0.178 0.000 2.383 377 S HA -0.087 4.384 4.470 0.001 0.000 0.227 377 S C 2.071 176.656 174.600 -0.025 0.000 1.026 377 S CA 1.433 59.640 58.200 0.011 0.000 0.981 377 S CB -0.612 62.617 63.200 0.048 0.000 0.818 377 S HN 0.349 nan 8.310 nan 0.000 0.472 378 A N 1.210 124.046 122.820 0.027 0.000 2.070 378 A HA -0.082 4.239 4.320 0.001 0.000 0.220 378 A C 2.180 179.757 177.584 -0.012 0.000 1.159 378 A CA 1.848 53.898 52.037 0.021 0.000 0.656 378 A CB -0.566 18.469 19.000 0.059 0.000 0.800 378 A HN 0.604 nan 8.150 nan 0.000 0.453 379 S N -1.248 114.422 115.700 -0.050 0.000 2.548 379 S HA 0.320 4.791 4.470 0.001 0.000 0.215 379 S C 0.468 174.949 174.600 -0.198 0.000 0.976 379 S CA -0.409 57.737 58.200 -0.090 0.000 0.908 379 S CB -0.412 62.754 63.200 -0.057 0.000 0.781 379 S HN 0.341 nan 8.310 nan 0.000 0.519 380 L N 2.543 123.628 121.223 -0.230 0.000 2.349 380 L HA 0.418 4.759 4.340 0.001 0.000 0.275 380 L C -2.459 174.297 176.870 -0.190 0.000 1.115 380 L CA -2.452 52.232 54.840 -0.259 0.000 0.820 380 L CB 0.497 42.396 42.059 -0.267 0.000 1.135 380 L HN 0.016 nan 8.230 nan 0.000 0.445 381 P HA -0.015 nan 4.420 nan 0.000 0.265 381 P C -0.836 176.399 177.300 -0.109 0.000 1.193 381 P CA -0.044 62.948 63.100 -0.179 0.000 0.765 381 P CB 0.490 32.075 31.700 -0.192 0.000 0.823 382 V N 3.143 123.006 119.914 -0.084 0.000 2.370 382 V HA 0.435 4.556 4.120 0.001 0.000 0.279 382 V C 0.728 176.797 176.094 -0.041 0.000 1.029 382 V CA -1.121 61.150 62.300 -0.047 0.000 0.870 382 V CB 0.644 32.446 31.823 -0.034 0.000 0.984 382 V HN 0.687 nan 8.190 nan 0.000 0.451 383 A N 3.955 126.758 122.820 -0.028 0.000 2.584 383 A HA 0.424 4.745 4.320 0.001 0.000 0.239 383 A C 1.575 179.142 177.584 -0.028 0.000 1.043 383 A CA 0.781 52.802 52.037 -0.026 0.000 0.756 383 A CB -0.581 18.407 19.000 -0.019 0.000 0.963 383 A HN 2.343 nan 8.150 nan 0.000 0.511 384 G N 1.495 110.279 108.800 -0.026 0.000 2.225 384 G HA2 -0.189 3.772 3.960 0.001 0.000 0.267 384 G HA3 -0.189 3.772 3.960 0.001 0.000 0.267 384 G C -0.085 174.807 174.900 -0.013 0.000 1.024 384 G CA 0.512 45.600 45.100 -0.020 0.000 0.784 384 G HN 0.855 nan 8.290 nan 0.000 0.507 385 E N 0.187 120.379 120.200 -0.013 0.000 2.133 385 E HA 0.405 4.756 4.350 0.001 0.000 0.274 385 E C 1.223 177.828 176.600 0.009 0.000 0.930 385 E CA 0.195 56.593 56.400 -0.002 0.000 0.770 385 E CB 1.420 31.117 29.700 -0.005 0.000 1.104 385 E HN 0.344 nan 8.360 nan 0.000 0.403 386 S N 1.796 117.507 115.700 0.018 0.000 2.489 386 S HA -0.099 4.372 4.470 0.001 0.000 0.228 386 S C 0.630 175.261 174.600 0.052 0.000 0.995 386 S CA 0.142 58.360 58.200 0.029 0.000 0.934 386 S CB 0.140 63.354 63.200 0.024 0.000 0.771 386 S HN 0.338 nan 8.310 nan 0.000 0.522 387 D N 3.091 123.528 120.400 0.062 0.000 2.346 387 D HA 0.235 4.876 4.640 0.001 0.000 0.260 387 D C -1.609 174.773 176.300 0.136 0.000 1.252 387 D CA -2.155 51.908 54.000 0.104 0.000 0.895 387 D CB 1.474 42.335 40.800 0.102 0.000 1.097 387 D HN 0.074 nan 8.370 nan 0.000 0.489 388 P HA -0.142 nan 4.420 nan 0.000 0.216 388 P C 1.138 178.551 177.300 0.188 0.000 1.153 388 P CA 1.019 64.267 63.100 0.247 0.000 0.858 388 P CB -0.003 31.891 31.700 0.324 0.000 0.789 389 F N -1.728 118.346 119.950 0.207 0.000 2.604 389 F HA -0.067 4.460 4.527 0.001 0.000 0.298 389 F C 2.000 177.769 175.800 -0.051 0.000 1.131 389 F CA 0.759 58.822 58.000 0.105 0.000 1.457 389 F CB -0.257 38.847 39.000 0.174 0.000 1.095 389 F HN -0.236 nan 8.300 nan 0.000 0.574 390 V N -1.802 118.172 119.914 0.100 0.000 2.788 390 V HA 0.128 4.249 4.120 0.001 0.000 0.241 390 V C 2.356 178.417 176.094 -0.055 0.000 1.083 390 V CA 1.432 63.747 62.300 0.025 0.000 1.103 390 V CB -0.507 31.345 31.823 0.048 0.000 0.800 390 V HN 0.273 nan 8.190 nan 0.000 0.476 391 G N -0.877 107.889 108.800 -0.057 0.000 2.662 391 G HA2 0.383 4.343 3.960 0.001 0.000 0.212 391 G HA3 0.383 4.343 3.960 0.001 0.000 0.212 391 G C 1.145 175.953 174.900 -0.153 0.000 1.141 391 G CA 0.915 45.967 45.100 -0.080 0.000 0.797 391 G HN 0.757 nan 8.290 nan 0.000 0.531 392 G N 0.515 109.156 108.800 -0.265 0.000 2.634 392 G HA2 -0.373 3.588 3.960 0.001 0.000 0.309 392 G HA3 -0.373 3.588 3.960 0.001 0.000 0.309 392 G C 1.373 176.171 174.900 -0.170 0.000 1.265 392 G CA 2.163 46.999 45.100 -0.441 0.000 0.998 392 G HN 1.170 nan 8.290 nan 0.000 0.551 393 T N -1.358 113.101 114.554 -0.159 0.000 3.194 393 T HA 0.426 4.777 4.350 0.001 0.000 0.251 393 T C 1.607 176.265 174.700 -0.070 0.000 1.132 393 T CA 1.369 63.424 62.100 -0.074 0.000 1.028 393 T CB 0.267 69.091 68.868 -0.075 0.000 0.976 393 T HN 0.455 nan 8.240 nan 0.000 0.535 394 L N 0.173 121.347 121.223 -0.082 0.000 2.693 394 L HA 0.618 4.959 4.340 0.001 0.000 0.235 394 L C 2.248 179.093 176.870 -0.042 0.000 1.127 394 L CA -0.083 54.722 54.840 -0.059 0.000 0.914 394 L CB -0.365 41.656 42.059 -0.063 0.000 1.193 394 L HN 0.330 nan 8.230 nan 0.000 0.502 395 A N -0.323 122.476 122.820 -0.036 0.000 2.019 395 A HA -0.114 4.207 4.320 0.001 0.000 0.219 395 A C 1.662 179.241 177.584 -0.010 0.000 1.164 395 A CA 1.479 53.506 52.037 -0.017 0.000 0.644 395 A CB -0.267 18.735 19.000 0.003 0.000 0.805 395 A HN 0.468 nan 8.150 nan 0.000 0.449 396 N N -0.448 118.244 118.700 -0.012 0.000 2.230 396 N HA 0.124 4.865 4.740 0.001 0.000 0.202 396 N C -0.166 175.333 175.510 -0.017 0.000 1.119 396 N CA 0.136 53.179 53.050 -0.011 0.000 0.851 396 N CB 0.429 38.911 38.487 -0.009 0.000 0.990 396 N HN 0.471 nan 8.380 nan 0.000 0.497 397 R N -0.107 120.379 120.500 -0.022 0.000 2.664 397 R HA 0.437 4.778 4.340 0.001 0.000 0.286 397 R C 0.529 176.814 176.300 -0.026 0.000 0.967 397 R CA -0.576 55.508 56.100 -0.025 0.000 0.933 397 R CB 1.421 31.704 30.300 -0.029 0.000 1.146 397 R HN -0.046 nan 8.270 nan 0.000 0.468 398 M N 0.170 119.753 119.600 -0.028 0.000 2.751 398 M HA -0.271 4.210 4.480 0.001 0.000 0.199 398 M C -0.482 175.803 176.300 -0.026 0.000 0.550 398 M CA 1.022 56.304 55.300 -0.030 0.000 0.640 398 M CB -1.268 31.311 32.600 -0.035 0.000 2.351 398 M HN 0.539 nan 8.290 nan 0.000 0.613 399 R N 0.712 121.199 120.500 -0.021 0.000 2.442 399 R HA 0.325 4.666 4.340 0.001 0.000 0.291 399 R C 1.382 177.673 176.300 -0.015 0.000 1.069 399 R CA 1.037 57.127 56.100 -0.016 0.000 1.022 399 R CB 0.457 30.750 30.300 -0.012 0.000 0.976 399 R HN 0.543 nan 8.270 nan 0.000 0.443 400 G N 1.911 110.703 108.800 -0.013 0.000 2.143 400 G HA2 -0.299 3.662 3.960 0.001 0.000 0.248 400 G HA3 -0.299 3.662 3.960 0.001 0.000 0.248 400 G C 0.224 175.117 174.900 -0.011 0.000 0.991 400 G CA 0.611 45.705 45.100 -0.010 0.000 0.689 400 G HN 0.712 nan 8.290 nan 0.000 0.522 401 T N -3.616 110.929 114.554 -0.016 0.000 2.948 401 T HA 0.784 5.135 4.350 0.001 0.000 0.285 401 T C 1.581 176.273 174.700 -0.014 0.000 1.019 401 T CA 0.311 62.401 62.100 -0.016 0.000 1.013 401 T CB 1.773 70.626 68.868 -0.026 0.000 1.117 401 T HN 1.372 nan 8.240 nan 0.000 0.533 402 A N 0.103 122.920 122.820 -0.005 0.000 2.186 402 A HA 0.279 4.600 4.320 0.001 0.000 0.219 402 A C 2.148 179.716 177.584 -0.028 0.000 1.159 402 A CA 1.380 53.425 52.037 0.012 0.000 0.680 402 A CB -1.237 17.790 19.000 0.045 0.000 0.787 402 A HN 1.231 nan 8.150 nan 0.000 0.467 403 A N -0.900 121.892 122.820 -0.046 0.000 2.348 403 A HA 0.262 4.583 4.320 0.001 0.000 0.224 403 A C 0.711 178.253 177.584 -0.070 0.000 1.227 403 A CA -0.021 51.974 52.037 -0.071 0.000 0.885 403 A CB -0.155 18.810 19.000 -0.059 0.000 0.933 403 A HN 0.538 nan 8.150 nan 0.000 0.506 404 E N 0.185 120.350 120.200 -0.057 0.000 2.351 404 E HA 0.335 4.685 4.350 0.001 0.000 0.266 404 E C 1.157 177.721 176.600 -0.059 0.000 1.031 404 E CA 0.588 56.960 56.400 -0.046 0.000 0.911 404 E CB 0.042 29.725 29.700 -0.029 0.000 0.986 404 E HN 0.657 nan 8.360 nan 0.000 0.446 405 G N 2.750 111.521 108.800 -0.049 0.000 2.155 405 G HA2 -0.276 3.685 3.960 0.001 0.000 0.257 405 G HA3 -0.276 3.685 3.960 0.001 0.000 0.257 405 G C 0.534 175.390 174.900 -0.072 0.000 0.983 405 G CA 0.435 45.507 45.100 -0.048 0.000 0.676 405 G HN 0.462 nan 8.290 nan 0.000 0.528 406 V N -0.897 118.956 119.914 -0.102 0.000 3.134 406 V HA 0.251 4.371 4.120 0.001 0.000 0.222 406 V C 1.703 177.767 176.094 -0.050 0.000 1.247 406 V CA 0.698 62.907 62.300 -0.151 0.000 1.281 406 V CB 0.198 31.791 31.823 -0.382 0.000 1.169 406 V HN 0.184 nan 8.190 nan 0.000 0.512 407 V N 2.467 122.368 119.914 -0.021 0.000 2.529 407 V HA 0.071 4.192 4.120 0.001 0.000 0.292 407 V C -0.056 176.081 176.094 0.072 0.000 1.028 407 V CA 0.480 62.824 62.300 0.073 0.000 1.074 407 V CB 0.310 32.178 31.823 0.077 0.000 0.958 407 V HN 0.560 nan 8.190 nan 0.000 0.481 408 E N 4.152 124.420 120.200 0.114 0.000 2.145 408 E HA 0.723 5.074 4.350 0.001 0.000 0.262 408 E C -0.362 176.246 176.600 0.014 0.000 0.883 408 E CA -0.266 56.167 56.400 0.056 0.000 0.748 408 E CB 1.802 31.548 29.700 0.077 0.000 1.140 408 E HN 0.811 nan 8.360 nan 0.000 0.417 409 A N 2.901 125.688 122.820 -0.055 0.000 2.594 409 A HA 0.703 5.024 4.320 0.001 0.000 0.291 409 A C -1.389 176.094 177.584 -0.169 0.000 1.105 409 A CA -0.871 51.087 52.037 -0.133 0.000 0.694 409 A CB 1.736 20.731 19.000 -0.008 0.000 1.291 409 A HN 0.343 nan 8.150 nan 0.000 0.410 410 K N 0.665 120.937 120.400 -0.212 0.000 2.244 410 K HA 0.656 4.977 4.320 0.001 0.000 0.260 410 K C 0.254 176.768 176.600 -0.143 0.000 0.951 410 K CA 0.262 56.426 56.287 -0.205 0.000 0.826 410 K CB 1.268 33.616 32.500 -0.254 0.000 1.108 410 K HN 0.955 nan 8.250 nan 0.000 0.433 411 T N -0.365 114.113 114.554 -0.126 0.000 2.880 411 T HA 0.848 5.199 4.350 0.001 0.000 0.279 411 T C 0.126 174.777 174.700 -0.081 0.000 0.990 411 T CA -0.598 61.449 62.100 -0.088 0.000 0.938 411 T CB 1.398 70.215 68.868 -0.084 0.000 1.206 411 T HN 0.673 nan 8.240 nan 0.000 0.573 412 G N 0.095 108.855 108.800 -0.066 0.000 1.959 412 G HA2 0.459 4.420 3.960 0.001 0.000 0.289 412 G HA3 0.459 4.420 3.960 0.001 0.000 0.289 412 G C -1.016 173.849 174.900 -0.058 0.000 1.705 412 G CA -0.759 44.301 45.100 -0.066 0.000 0.913 412 G HN 0.816 nan 8.290 nan 0.000 0.686 413 T N 3.235 117.739 114.554 -0.083 0.000 2.928 413 T HA 0.747 5.098 4.350 0.001 0.000 0.296 413 T C 0.207 174.835 174.700 -0.120 0.000 1.000 413 T CA -0.404 61.652 62.100 -0.073 0.000 0.989 413 T CB 1.448 70.280 68.868 -0.061 0.000 1.005 413 T HN 0.548 nan 8.240 nan 0.000 0.442 414 M N 0.513 120.053 119.600 -0.100 0.000 2.744 414 M HA 0.463 4.944 4.480 0.001 0.000 0.283 414 M C 0.106 176.356 176.300 -0.082 0.000 1.275 414 M CA -1.080 54.135 55.300 -0.141 0.000 0.796 414 M CB 1.888 34.373 32.600 -0.191 0.000 1.739 414 M HN 0.358 nan 8.290 nan 0.000 0.454 415 S N 1.155 116.801 115.700 -0.090 0.000 2.629 415 S HA 0.195 4.666 4.470 0.001 0.000 0.302 415 S C 0.926 175.465 174.600 -0.102 0.000 1.244 415 S CA 1.325 59.490 58.200 -0.057 0.000 1.098 415 S CB -0.440 62.759 63.200 -0.001 0.000 0.858 415 S HN 1.022 nan 8.310 nan 0.000 0.502 416 G N 2.348 111.021 108.800 -0.211 0.000 2.168 416 G HA2 -0.232 3.729 3.960 0.001 0.000 0.257 416 G HA3 -0.232 3.729 3.960 0.001 0.000 0.257 416 G C -0.031 174.668 174.900 -0.334 0.000 0.997 416 G CA 0.255 45.064 45.100 -0.484 0.000 0.708 416 G HN 0.864 nan 8.290 nan 0.000 0.520 417 V N -0.532 119.350 119.914 -0.053 0.000 2.612 417 V HA 0.808 4.929 4.120 0.001 0.000 0.301 417 V C -0.198 175.974 176.094 0.129 0.000 1.059 417 V CA -0.101 62.243 62.300 0.073 0.000 0.886 417 V CB 1.946 33.763 31.823 -0.010 0.000 1.007 417 V HN 0.769 nan 8.190 nan 0.000 0.426 418 S N 2.754 118.542 115.700 0.147 0.000 2.543 418 S HA 0.918 5.388 4.470 0.001 0.000 0.271 418 S C -0.996 173.620 174.600 0.027 0.000 1.148 418 S CA 0.292 58.526 58.200 0.055 0.000 0.914 418 S CB 1.794 65.001 63.200 0.012 0.000 1.096 418 S HN 1.585 nan 8.310 nan 0.000 0.471 419 A N 2.777 125.600 122.820 0.004 0.000 2.549 419 A HA 0.859 5.180 4.320 0.001 0.000 0.297 419 A C -1.947 175.635 177.584 -0.004 0.000 1.061 419 A CA -0.549 51.492 52.037 0.008 0.000 0.690 419 A CB 1.719 20.726 19.000 0.013 0.000 1.287 419 A HN 1.014 nan 8.150 nan 0.000 0.402 420 L N 1.533 122.770 121.223 0.022 0.000 2.491 420 L HA 0.709 5.050 4.340 0.001 0.000 0.267 420 L C -0.838 176.038 176.870 0.011 0.000 0.971 420 L CA 0.313 55.177 54.840 0.040 0.000 0.857 420 L CB 1.869 44.001 42.059 0.122 0.000 1.226 420 L HN 0.625 nan 8.230 nan 0.000 0.408 421 S N 2.601 118.173 115.700 -0.214 0.000 2.526 421 S HA 1.029 5.500 4.470 0.001 0.000 0.293 421 S C -0.069 174.057 174.600 -0.791 0.000 1.092 421 S CA -0.127 57.748 58.200 -0.541 0.000 0.980 421 S CB 1.876 64.881 63.200 -0.324 0.000 1.048 421 S HN 1.043 nan 8.310 nan 0.000 0.483 422 G N 0.888 108.885 108.800 -1.338 0.000 2.393 422 G HA2 0.481 4.442 3.960 0.001 0.000 0.264 422 G HA3 0.481 4.442 3.960 0.001 0.000 0.264 422 G C -2.410 171.976 174.900 -0.857 0.000 1.221 422 G CA -0.546 43.988 45.100 -0.944 0.000 0.912 422 G HN 0.481 nan 8.290 nan 0.000 0.483 423 Y N -1.189 119.053 120.300 -0.096 0.000 2.524 423 Y HA 0.660 5.211 4.550 0.001 0.000 0.344 423 Y C -0.012 176.025 175.900 0.229 0.000 1.012 423 Y CA -0.866 57.294 58.100 0.101 0.000 1.068 423 Y CB 2.769 41.277 38.460 0.080 0.000 1.249 423 Y HN 0.295 nan 8.280 nan 0.000 0.468 424 V N 3.471 123.628 119.914 0.406 0.000 2.380 424 V HA 0.328 4.449 4.120 0.001 0.000 0.268 424 V C -2.631 173.611 176.094 0.247 0.000 1.008 424 V CA -1.906 60.564 62.300 0.285 0.000 0.823 424 V CB 0.813 32.782 31.823 0.244 0.000 1.053 424 V HN 0.529 nan 8.190 nan 0.000 0.446 425 P HA 0.568 nan 4.420 nan 0.000 0.272 425 P C 0.269 177.752 177.300 0.305 0.000 1.230 425 P CA 0.242 63.454 63.100 0.187 0.000 0.788 425 P CB 1.184 32.958 31.700 0.123 0.000 0.949 426 G N 0.648 109.572 108.800 0.207 0.000 2.576 426 G HA2 0.392 4.353 3.960 0.001 0.000 0.290 426 G HA3 0.392 4.353 3.960 0.001 0.000 0.290 426 G C -2.490 172.410 174.900 -0.001 0.000 1.442 426 G CA -0.854 44.312 45.100 0.109 0.000 0.792 426 G HN 0.129 nan 8.290 nan 0.000 0.491 427 P HA -0.109 nan 4.420 nan 0.000 0.214 427 P C 1.703 178.974 177.300 -0.048 0.000 1.169 427 P CA 1.909 64.967 63.100 -0.070 0.000 0.908 427 P CB 0.241 31.872 31.700 -0.115 0.000 0.791 428 E N -0.343 119.817 120.200 -0.066 0.000 2.006 428 E HA 0.058 4.409 4.350 0.001 0.000 0.192 428 E C 1.135 177.734 176.600 -0.002 0.000 0.993 428 E CA 1.303 57.676 56.400 -0.045 0.000 0.808 428 E CB -0.812 28.839 29.700 -0.082 0.000 0.764 428 E HN 0.240 nan 8.360 nan 0.000 0.449 429 G N 0.868 109.684 108.800 0.027 0.000 2.746 429 G HA2 0.292 4.253 3.960 0.001 0.000 0.297 429 G HA3 0.292 4.253 3.960 0.001 0.000 0.297 429 G C -1.767 173.201 174.900 0.114 0.000 1.426 429 G CA -0.715 44.428 45.100 0.072 0.000 0.989 429 G HN 0.118 nan 8.290 nan 0.000 0.520 430 E N 1.556 121.825 120.200 0.116 0.000 2.180 430 E HA 0.402 4.753 4.350 0.001 0.000 0.283 430 E C -0.546 176.172 176.600 0.196 0.000 1.061 430 E CA -0.606 55.887 56.400 0.154 0.000 0.861 430 E CB 0.553 30.322 29.700 0.115 0.000 1.056 430 E HN 0.139 nan 8.360 nan 0.000 0.407 431 L N 3.393 124.759 121.223 0.238 0.000 2.360 431 L HA 0.648 4.989 4.340 0.001 0.000 0.271 431 L C -0.163 176.883 176.870 0.294 0.000 1.057 431 L CA -0.643 54.342 54.840 0.241 0.000 0.803 431 L CB 1.459 43.651 42.059 0.223 0.000 1.207 431 L HN 0.707 nan 8.230 nan 0.000 0.445 432 A N 2.537 125.489 122.820 0.219 0.000 2.356 432 A HA 0.804 5.124 4.320 0.001 0.000 0.310 432 A C -1.120 176.532 177.584 0.114 0.000 1.075 432 A CA -0.409 51.681 52.037 0.088 0.000 0.746 432 A CB 0.872 19.884 19.000 0.020 0.000 1.221 432 A HN 0.536 nan 8.150 nan 0.000 0.443 433 F N 0.595 120.498 119.950 -0.078 0.000 2.588 433 F HA 0.880 5.408 4.527 0.002 0.000 0.314 433 F C -0.361 175.398 175.800 -0.067 0.000 1.069 433 F CA -0.918 57.051 58.000 -0.052 0.000 0.931 433 F CB 1.886 40.859 39.000 -0.046 0.000 1.260 433 F HN 0.477 nan 8.300 nan 0.000 0.465 434 S N 2.909 118.662 115.700 0.088 0.000 2.619 434 S HA 0.759 5.230 4.470 0.001 0.000 0.280 434 S C -1.406 173.278 174.600 0.140 0.000 1.150 434 S CA -0.545 57.663 58.200 0.013 0.000 0.978 434 S CB 0.787 63.976 63.200 -0.019 0.000 1.041 434 S HN 0.670 nan 8.310 nan 0.000 0.485 435 I N 4.458 125.111 120.570 0.139 0.000 2.410 435 I HA 0.504 4.675 4.170 0.001 0.000 0.286 435 I C -0.986 175.172 176.117 0.068 0.000 1.009 435 I CA -0.901 60.466 61.300 0.111 0.000 1.111 435 I CB 2.009 40.075 38.000 0.111 0.000 1.262 435 I HN 0.308 nan 8.210 nan 0.000 0.443 436 V N 5.744 125.697 119.914 0.064 0.000 2.407 436 V HA 0.397 4.518 4.120 0.001 0.000 0.291 436 V C -0.403 175.728 176.094 0.062 0.000 1.018 436 V CA -0.734 61.601 62.300 0.058 0.000 0.842 436 V CB 1.499 33.359 31.823 0.062 0.000 0.996 436 V HN 0.647 nan 8.190 nan 0.000 0.426 437 N N 4.452 123.192 118.700 0.067 0.000 2.424 437 N HA 0.466 5.207 4.740 0.001 0.000 0.271 437 N C -0.922 174.691 175.510 0.172 0.000 0.985 437 N CA -0.292 52.818 53.050 0.099 0.000 0.921 437 N CB 1.920 40.425 38.487 0.029 0.000 1.149 437 N HN 0.682 nan 8.380 nan 0.000 0.492 438 N N -0.079 118.714 118.700 0.154 0.000 2.225 438 N HA 0.409 5.150 4.740 0.001 0.000 0.298 438 N C 0.427 175.988 175.510 0.084 0.000 1.076 438 N CA -0.430 52.679 53.050 0.099 0.000 0.792 438 N CB 2.446 40.962 38.487 0.049 0.000 1.498 438 N HN 0.675 nan 8.380 nan 0.000 0.474 439 G N 0.884 109.657 108.800 -0.045 0.000 2.176 439 G HA2 -0.223 3.738 3.960 0.001 0.000 0.232 439 G HA3 -0.223 3.738 3.960 0.001 0.000 0.232 439 G C 0.008 174.870 174.900 -0.062 0.000 0.986 439 G CA -0.031 45.036 45.100 -0.055 0.000 0.643 439 G HN 0.853 nan 8.290 nan 0.000 0.522 440 H N 0.365 119.440 119.070 0.010 0.000 2.771 440 H HA 0.611 5.168 4.556 0.002 0.000 0.364 440 H C 0.948 176.280 175.328 0.008 0.000 1.133 440 H CA 0.478 56.531 56.048 0.007 0.000 1.423 440 H CB 1.101 30.865 29.762 0.003 0.000 1.425 440 H HN -0.005 nan 8.280 nan 0.000 0.606 441 S N 1.463 117.215 115.700 0.088 0.000 2.503 441 S HA 0.148 4.619 4.470 0.001 0.000 0.217 441 S C 1.256 175.894 174.600 0.063 0.000 0.999 441 S CA 0.195 58.416 58.200 0.035 0.000 0.914 441 S CB 0.234 63.453 63.200 0.031 0.000 0.782 441 S HN 0.892 nan 8.310 nan 0.000 0.520 442 G N 1.714 110.593 108.800 0.131 0.000 2.671 442 G HA2 0.560 4.521 3.960 0.001 0.000 0.275 442 G HA3 0.560 4.521 3.960 0.001 0.000 0.275 442 G C -2.811 172.177 174.900 0.147 0.000 1.368 442 G CA -1.418 43.745 45.100 0.106 0.000 1.044 442 G HN 0.100 nan 8.290 nan 0.000 0.543 443 P HA 0.336 nan 4.420 nan 0.000 0.269 443 P C 0.105 177.440 177.300 0.058 0.000 1.217 443 P CA -0.048 63.090 63.100 0.062 0.000 0.783 443 P CB 0.331 32.042 31.700 0.018 0.000 0.898 444 A N 3.658 126.502 122.820 0.040 0.000 2.584 444 A HA 0.104 4.425 4.320 0.001 0.000 0.239 444 A C -1.523 175.973 177.584 -0.146 0.000 1.043 444 A CA -0.430 51.578 52.037 -0.047 0.000 0.756 444 A CB -1.140 17.848 19.000 -0.021 0.000 0.963 444 A HN 0.433 nan 8.150 nan 0.000 0.511 445 P HA 0.167 nan 4.420 nan 0.000 0.220 445 P C 0.611 177.832 177.300 -0.132 0.000 1.806 445 P CA -0.088 62.889 63.100 -0.206 0.000 0.976 445 P CB -0.021 31.511 31.700 -0.280 0.000 1.952 446 L N 0.257 121.423 121.223 -0.095 0.000 2.191 446 L HA -0.136 4.205 4.340 0.001 0.000 0.212 446 L C 2.399 179.232 176.870 -0.062 0.000 1.103 446 L CA 1.587 56.386 54.840 -0.068 0.000 0.769 446 L CB -0.767 41.260 42.059 -0.054 0.000 0.908 446 L HN 0.141 nan 8.230 nan 0.000 0.438 447 A N -0.551 122.231 122.820 -0.063 0.000 1.975 447 A HA -0.016 4.305 4.320 0.001 0.000 0.215 447 A C 2.298 179.844 177.584 -0.064 0.000 1.170 447 A CA 0.712 52.715 52.037 -0.057 0.000 0.656 447 A CB -0.416 18.555 19.000 -0.048 0.000 0.821 447 A HN 0.144 nan 8.150 nan 0.000 0.449 448 V N 0.118 119.990 119.914 -0.071 0.000 2.295 448 V HA -0.339 3.782 4.120 0.001 0.000 0.246 448 V C 2.619 178.663 176.094 -0.084 0.000 1.049 448 V CA 2.316 64.571 62.300 -0.076 0.000 1.024 448 V CB -0.988 30.789 31.823 -0.077 0.000 0.648 448 V HN 0.623 nan 8.190 nan 0.000 0.447 449 Q N -0.311 119.444 119.800 -0.075 0.000 2.061 449 Q HA -0.256 4.085 4.340 0.001 0.000 0.204 449 Q C 2.133 178.082 176.000 -0.084 0.000 0.984 449 Q CA 2.042 57.806 55.803 -0.064 0.000 0.846 449 Q CB -0.273 28.443 28.738 -0.036 0.000 0.902 449 Q HN 0.614 nan 8.270 nan 0.000 0.421 450 D N 0.016 120.372 120.400 -0.073 0.000 2.149 450 D HA -0.150 4.491 4.640 0.001 0.000 0.198 450 D C 1.680 177.920 176.300 -0.100 0.000 0.990 450 D CA 1.360 55.314 54.000 -0.077 0.000 0.839 450 D CB -0.237 40.528 40.800 -0.058 0.000 0.948 450 D HN 0.303 nan 8.370 nan 0.000 0.460 451 A N 0.366 123.128 122.820 -0.097 0.000 1.930 451 A HA -0.105 4.216 4.320 0.001 0.000 0.217 451 A C 2.341 179.841 177.584 -0.139 0.000 1.175 451 A CA 0.824 52.800 52.037 -0.101 0.000 0.627 451 A CB -0.578 18.371 19.000 -0.084 0.000 0.815 451 A HN 0.202 nan 8.150 nan 0.000 0.443 452 I N -0.329 120.135 120.570 -0.177 0.000 2.286 452 I HA -0.207 3.964 4.170 0.001 0.000 0.245 452 I C 2.965 178.881 176.117 -0.336 0.000 1.104 452 I CA 0.905 62.055 61.300 -0.250 0.000 1.397 452 I CB -0.397 37.444 38.000 -0.265 0.000 1.072 452 I HN 0.322 nan 8.210 nan 0.000 0.417 453 A N 0.640 123.235 122.820 -0.375 0.000 1.892 453 A HA -0.181 4.140 4.320 0.001 0.000 0.218 453 A C 2.457 179.893 177.584 -0.246 0.000 1.188 453 A CA 2.038 53.810 52.037 -0.442 0.000 0.631 453 A CB -1.066 17.751 19.000 -0.304 0.000 0.822 453 A HN 0.246 nan 8.150 nan 0.000 0.447 454 V N -0.220 119.599 119.914 -0.159 0.000 2.358 454 V HA -0.223 3.898 4.120 0.001 0.000 0.246 454 V C 2.673 178.722 176.094 -0.074 0.000 1.047 454 V CA 2.348 64.592 62.300 -0.093 0.000 1.035 454 V CB -0.792 30.990 31.823 -0.069 0.000 0.658 454 V HN 0.628 nan 8.190 nan 0.000 0.452 455 R N 0.508 120.947 120.500 -0.102 0.000 2.070 455 R HA -0.091 4.250 4.340 0.001 0.000 0.233 455 R C 2.087 178.359 176.300 -0.046 0.000 1.137 455 R CA 1.789 57.845 56.100 -0.074 0.000 0.945 455 R CB -0.906 29.328 30.300 -0.111 0.000 0.845 455 R HN 0.471 nan 8.270 nan 0.000 0.430 456 L N -0.025 121.128 121.223 -0.116 0.000 2.127 456 L HA -0.151 4.190 4.340 0.001 0.000 0.211 456 L C 2.441 179.346 176.870 0.058 0.000 1.089 456 L CA 1.347 56.147 54.840 -0.067 0.000 0.757 456 L CB -0.660 41.283 42.059 -0.194 0.000 0.899 456 L HN 0.328 nan 8.230 nan 0.000 0.434 457 A N -0.130 122.709 122.820 0.031 0.000 1.930 457 A HA -0.208 4.113 4.320 0.001 0.000 0.217 457 A C 2.176 179.860 177.584 0.167 0.000 1.175 457 A CA 1.532 53.640 52.037 0.119 0.000 0.627 457 A CB -0.344 18.681 19.000 0.042 0.000 0.815 457 A HN 0.421 nan 8.150 nan 0.000 0.443 458 E N -1.539 118.723 120.200 0.104 0.000 2.031 458 E HA -0.230 4.121 4.350 0.001 0.000 0.193 458 E C 1.871 178.528 176.600 0.096 0.000 0.994 458 E CA 1.572 58.025 56.400 0.087 0.000 0.800 458 E CB -0.359 29.377 29.700 0.060 0.000 0.752 458 E HN 0.742 nan 8.360 nan 0.000 0.447 459 Y N 0.709 121.009 120.300 -0.001 0.000 2.193 459 Y HA -0.254 4.297 4.550 0.002 0.000 0.285 459 Y C 1.942 177.842 175.900 -0.001 0.000 1.166 459 Y CA 1.496 59.595 58.100 -0.003 0.000 1.181 459 Y CB -0.092 38.366 38.460 -0.003 0.000 0.976 459 Y HN 0.018 nan 8.280 nan 0.000 0.520 460 A N -0.781 122.122 122.820 0.139 0.000 2.238 460 A HA 0.343 4.664 4.320 0.001 0.000 0.208 460 A C 1.715 179.215 177.584 -0.140 0.000 1.177 460 A CA 0.855 52.921 52.037 0.048 0.000 0.804 460 A CB -1.084 18.023 19.000 0.179 0.000 0.823 460 A HN 0.933 nan 8.150 nan 0.000 0.482 461 G N -1.288 107.419 108.800 -0.154 0.000 2.138 461 G HA2 -0.143 3.818 3.960 0.001 0.000 0.193 461 G HA3 -0.143 3.818 3.960 0.001 0.000 0.193 461 G C -0.130 174.594 174.900 -0.293 0.000 0.998 461 G CA 0.005 44.966 45.100 -0.232 0.000 0.668 461 G HN 0.622 nan 8.290 nan 0.000 0.516 462 H N 0.136 119.207 119.070 0.000 0.000 2.502 462 H HA 0.634 5.191 4.556 0.002 0.000 0.338 462 H C 0.141 175.468 175.328 -0.001 0.000 1.155 462 H CA 0.068 56.118 56.048 0.003 0.000 1.237 462 H CB 1.410 31.178 29.762 0.010 0.000 1.534 462 H HN 0.383 nan 8.280 nan 0.000 0.523 463 Q N 0.059 119.940 119.800 0.135 0.000 2.433 463 Q HA 0.537 4.878 4.340 0.001 0.000 0.279 463 Q C -0.700 175.334 176.000 0.056 0.000 1.105 463 Q CA -1.244 54.601 55.803 0.069 0.000 0.815 463 Q CB 3.029 31.790 28.738 0.039 0.000 1.403 463 Q HN 0.772 nan 8.270 nan 0.000 0.435 464 A N 2.632 125.471 122.820 0.031 0.000 2.567 464 A HA 0.253 4.574 4.320 0.001 0.000 0.240 464 A C -2.080 175.514 177.584 0.016 0.000 1.053 464 A CA -0.561 51.486 52.037 0.017 0.000 0.755 464 A CB -0.718 18.287 19.000 0.008 0.000 0.978 464 A HN 0.343 nan 8.150 nan 0.000 0.507 465 P HA 0.639 nan 4.420 nan 0.000 0.274 465 P C 0.145 177.450 177.300 0.008 0.000 1.256 465 P CA 0.568 63.675 63.100 0.011 0.000 0.795 465 P CB 0.684 32.386 31.700 0.003 0.000 1.038 466 E N 0.000 120.205 120.200 0.008 0.000 2.725 466 E HA 0.000 4.351 4.350 0.001 0.000 0.291 466 E CA 0.000 nan 56.400 nan 0.000 0.976 466 E CB 0.000 nan 29.700 nan 0.000 0.812 466 E HN 0.000 nan 8.360 nan 0.000 0.440