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 1w8y_1_A 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 GHQAPEG 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 0.000 176.494 176.300 0.324 0.000 0.893 1 R CA 0.000 56.246 56.100 0.243 0.000 0.921 1 R CB 0.000 30.404 30.300 0.173 0.000 0.687 2 L N 2.232 123.629 121.223 0.289 0.000 2.017 2 L HA -0.145 4.191 4.340 -0.007 0.000 0.208 2 L C 2.218 179.126 176.870 0.064 0.000 1.073 2 L CA 2.493 57.419 54.840 0.143 0.000 0.745 2 L CB -0.514 41.631 42.059 0.143 0.000 0.894 2 L HN 0.624 nan 8.230 nan 0.000 0.432 3 T N -3.335 111.262 114.554 0.072 0.000 2.946 3 T HA -0.240 4.106 4.350 -0.007 0.000 0.271 3 T C 1.500 176.226 174.700 0.044 0.000 1.104 3 T CA 1.498 63.625 62.100 0.046 0.000 1.114 3 T CB -0.177 68.716 68.868 0.042 0.000 0.867 3 T HN 0.483 nan 8.240 nan 0.000 0.513 4 E N 0.433 120.668 120.200 0.059 0.000 2.065 4 E HA 0.054 4.400 4.350 -0.007 0.000 0.191 4 E C 2.092 178.710 176.600 0.031 0.000 0.960 4 E CA 0.096 56.527 56.400 0.052 0.000 0.824 4 E CB -0.178 29.567 29.700 0.075 0.000 0.793 4 E HN 0.313 nan 8.360 nan 0.000 0.459 5 L N 2.066 123.293 121.223 0.008 0.000 2.103 5 L HA -0.245 4.092 4.340 -0.007 0.000 0.215 5 L C 2.314 179.162 176.870 -0.037 0.000 1.080 5 L CA 1.771 56.561 54.840 -0.082 0.000 0.764 5 L CB -0.348 41.501 42.059 -0.350 0.000 0.890 5 L HN 0.093 nan 8.230 nan 0.000 0.435 6 R N -0.302 120.218 120.500 0.033 0.000 2.097 6 R HA -0.221 4.115 4.340 -0.007 0.000 0.236 6 R C 2.126 178.500 176.300 0.124 0.000 1.135 6 R CA 2.145 58.334 56.100 0.148 0.000 0.934 6 R CB -0.649 29.705 30.300 0.090 0.000 0.846 6 R HN 0.526 nan 8.270 nan 0.000 0.431 7 E N 0.419 120.657 120.200 0.062 0.000 2.130 7 E HA -0.206 4.140 4.350 -0.007 0.000 0.196 7 E C 1.674 178.289 176.600 0.025 0.000 0.998 7 E CA 1.470 57.897 56.400 0.044 0.000 0.806 7 E CB -0.087 29.629 29.700 0.028 0.000 0.738 7 E HN 0.338 nan 8.360 nan 0.000 0.459 8 D N 0.587 120.989 120.400 0.003 0.000 2.084 8 D HA -0.137 4.499 4.640 -0.007 0.000 0.194 8 D C 2.073 178.335 176.300 -0.064 0.000 0.990 8 D CA 0.952 54.934 54.000 -0.030 0.000 0.826 8 D CB -0.209 40.566 40.800 -0.042 0.000 0.971 8 D HN 0.213 nan 8.370 nan 0.000 0.453 9 I N 1.332 121.835 120.570 -0.112 0.000 2.179 9 I HA -0.247 3.919 4.170 -0.007 0.000 0.242 9 I C 1.876 177.938 176.117 -0.092 0.000 1.088 9 I CA 1.048 62.206 61.300 -0.236 0.000 1.357 9 I CB -0.306 37.285 38.000 -0.682 0.000 1.051 9 I HN -0.133 nan 8.210 nan 0.000 0.409 10 D N 1.412 121.850 120.400 0.063 0.000 2.116 10 D HA -0.197 4.439 4.640 -0.007 0.000 0.193 10 D C 2.250 178.571 176.300 0.034 0.000 0.998 10 D CA 1.761 55.823 54.000 0.103 0.000 0.836 10 D CB -0.272 40.595 40.800 0.112 0.000 0.951 10 D HN 0.375 nan 8.370 nan 0.000 0.449 11 A N 0.548 123.374 122.820 0.010 0.000 1.902 11 A HA -0.128 4.188 4.320 -0.007 0.000 0.217 11 A C 2.378 179.950 177.584 -0.019 0.000 1.181 11 A CA 0.914 52.950 52.037 -0.003 0.000 0.623 11 A CB -0.710 18.286 19.000 -0.007 0.000 0.818 11 A HN 0.225 nan 8.150 nan 0.000 0.443 12 I N -0.397 120.148 120.570 -0.041 0.000 2.361 12 I HA -0.209 3.957 4.170 -0.007 0.000 0.251 12 I C 1.923 178.012 176.117 -0.048 0.000 1.133 12 I CA 0.924 62.190 61.300 -0.056 0.000 1.413 12 I CB -0.225 37.720 38.000 -0.092 0.000 1.073 12 I HN 0.268 nan 8.210 nan 0.000 0.424 13 L N 0.266 121.468 121.223 -0.036 0.000 2.552 13 L HA -0.055 4.281 4.340 -0.007 0.000 0.227 13 L C 1.594 178.463 176.870 -0.002 0.000 1.146 13 L CA 0.475 55.305 54.840 -0.016 0.000 0.858 13 L CB -0.276 41.793 42.059 0.016 0.000 0.969 13 L HN 0.181 nan 8.230 nan 0.000 0.451 14 E N 0.007 120.205 120.200 -0.003 0.000 2.403 14 E HA -0.007 4.339 4.350 -0.007 0.000 0.187 14 E C 0.028 176.626 176.600 -0.004 0.000 1.073 14 E CA 0.054 56.455 56.400 0.002 0.000 0.888 14 E CB -0.223 29.479 29.700 0.004 0.000 1.035 14 E HN 0.291 nan 8.360 nan 0.000 0.471 15 D N 1.968 122.361 120.400 -0.012 0.000 2.390 15 D HA -0.004 4.632 4.640 -0.007 0.000 0.249 15 D C -1.307 174.990 176.300 -0.006 0.000 1.144 15 D CA -1.639 52.353 54.000 -0.014 0.000 0.880 15 D CB 1.588 42.373 40.800 -0.025 0.000 1.182 15 D HN -0.064 nan 8.370 nan 0.000 0.451 16 P HA -0.133 nan 4.420 nan 0.000 0.223 16 P C 0.893 178.199 177.300 0.010 0.000 1.144 16 P CA 0.647 63.750 63.100 0.004 0.000 0.783 16 P CB 0.147 31.848 31.700 0.003 0.000 0.771 17 A N -0.187 122.636 122.820 0.005 0.000 2.121 17 A HA -0.036 4.280 4.320 -0.007 0.000 0.218 17 A C 2.060 179.661 177.584 0.028 0.000 1.154 17 A CA 0.830 52.875 52.037 0.013 0.000 0.679 17 A CB -1.120 17.875 19.000 -0.007 0.000 0.795 17 A HN 0.217 nan 8.150 nan 0.000 0.458 18 L N -0.247 120.986 121.223 0.016 0.000 2.700 18 L HA 0.157 4.493 4.340 -0.007 0.000 0.234 18 L C 0.437 177.331 176.870 0.041 0.000 1.156 18 L CA -0.390 54.466 54.840 0.027 0.000 0.946 18 L CB -0.028 42.031 42.059 -0.001 0.000 1.216 18 L HN 0.262 nan 8.230 nan 0.000 0.493 19 E N 1.062 121.284 120.200 0.037 0.000 2.384 19 E HA 0.238 4.584 4.350 -0.007 0.000 0.266 19 E C 1.242 177.865 176.600 0.039 0.000 1.012 19 E CA 0.878 57.297 56.400 0.031 0.000 0.901 19 E CB 0.730 30.442 29.700 0.022 0.000 0.967 19 E HN 0.306 nan 8.360 nan 0.000 0.435 20 G N 2.475 111.295 108.800 0.032 0.000 2.212 20 G HA2 -0.259 3.697 3.960 -0.007 0.000 0.266 20 G HA3 -0.259 3.697 3.960 -0.007 0.000 0.266 20 G C 0.367 175.293 174.900 0.042 0.000 0.978 20 G CA 0.375 45.493 45.100 0.030 0.000 0.632 20 G HN 0.988 nan 8.290 nan 0.000 0.537 21 A N -0.369 122.489 122.820 0.063 0.000 2.303 21 A HA 0.793 5.109 4.320 -0.007 0.000 0.317 21 A C 0.109 177.730 177.584 0.062 0.000 1.149 21 A CA 0.002 52.092 52.037 0.089 0.000 0.822 21 A CB 1.663 20.751 19.000 0.147 0.000 1.131 21 A HN 1.097 nan 8.150 nan 0.000 0.493 22 V N 1.861 121.813 119.914 0.063 0.000 2.398 22 V HA 0.456 4.572 4.120 -0.007 0.000 0.286 22 V C 0.128 176.251 176.094 0.048 0.000 1.026 22 V CA -0.240 62.089 62.300 0.048 0.000 0.868 22 V CB 1.339 33.187 31.823 0.041 0.000 0.982 22 V HN 0.829 nan 8.190 nan 0.000 0.443 23 S N 3.152 118.878 115.700 0.043 0.000 2.498 23 S HA 0.617 5.083 4.470 -0.007 0.000 0.317 23 S C 0.364 174.998 174.600 0.056 0.000 1.090 23 S CA -0.522 57.702 58.200 0.041 0.000 1.089 23 S CB 1.625 64.842 63.200 0.029 0.000 0.997 23 S HN 1.011 nan 8.310 nan 0.000 0.470 24 G N 2.086 110.920 108.800 0.057 0.000 2.356 24 G HA2 0.537 4.493 3.960 -0.007 0.000 0.312 24 G HA3 0.537 4.493 3.960 -0.007 0.000 0.312 24 G C -0.748 174.206 174.900 0.090 0.000 1.096 24 G CA -0.394 44.748 45.100 0.070 0.000 0.950 24 G HN 0.589 nan 8.290 nan 0.000 0.428 25 V N 2.750 122.741 119.914 0.129 0.000 2.525 25 V HA 0.604 4.720 4.120 -0.007 0.000 0.299 25 V C -0.451 175.785 176.094 0.237 0.000 1.034 25 V CA -0.782 61.617 62.300 0.166 0.000 0.863 25 V CB 1.659 33.577 31.823 0.158 0.000 0.999 25 V HN 0.510 nan 8.190 nan 0.000 0.423 26 V N 4.833 124.871 119.914 0.206 0.000 2.808 26 V HA 0.658 4.774 4.120 -0.007 0.000 0.308 26 V C -0.758 175.460 176.094 0.207 0.000 1.099 26 V CA -0.578 61.845 62.300 0.204 0.000 0.920 26 V CB 2.433 34.332 31.823 0.127 0.000 1.014 26 V HN 0.628 nan 8.190 nan 0.000 0.425 27 V N 4.684 124.726 119.914 0.212 0.000 2.638 27 V HA 0.752 4.868 4.120 -0.007 0.000 0.306 27 V C -0.652 175.532 176.094 0.151 0.000 1.052 27 V CA -0.534 61.880 62.300 0.190 0.000 0.885 27 V CB 2.073 33.983 31.823 0.144 0.000 0.999 27 V HN 0.621 nan 8.190 nan 0.000 0.424 28 V N 2.164 122.167 119.914 0.148 0.000 3.007 28 V HA 0.519 4.635 4.120 -0.007 0.000 0.311 28 V C -1.107 175.073 176.094 0.144 0.000 1.120 28 V CA -0.687 61.688 62.300 0.126 0.000 0.980 28 V CB 2.551 34.437 31.823 0.104 0.000 1.033 28 V HN 0.894 nan 8.190 nan 0.000 0.429 29 D N 1.346 121.824 120.400 0.131 0.000 2.313 29 D HA 0.260 4.896 4.640 -0.007 0.000 0.239 29 D C 1.064 177.432 176.300 0.113 0.000 1.142 29 D CA -0.032 54.050 54.000 0.137 0.000 0.847 29 D CB 1.974 42.853 40.800 0.131 0.000 1.082 29 D HN 0.606 nan 8.370 nan 0.000 0.480 30 T N 2.251 116.879 114.554 0.125 0.000 2.929 30 T HA -0.042 4.304 4.350 -0.007 0.000 0.271 30 T C 1.454 176.193 174.700 0.065 0.000 1.085 30 T CA 1.220 63.382 62.100 0.102 0.000 1.125 30 T CB 0.221 69.160 68.868 0.119 0.000 0.874 30 T HN 0.510 nan 8.240 nan 0.000 0.494 31 A N 2.170 125.028 122.820 0.062 0.000 2.172 31 A HA 0.028 4.344 4.320 -0.007 0.000 0.215 31 A C 2.640 180.247 177.584 0.040 0.000 1.610 31 A CA 1.633 53.695 52.037 0.041 0.000 0.606 31 A CB -1.531 17.492 19.000 0.038 0.000 1.182 31 A HN 0.474 nan 8.150 nan 0.000 0.499 32 T N -2.731 111.850 114.554 0.045 0.000 2.721 32 T HA 0.126 4.472 4.350 -0.007 0.000 0.268 32 T C 1.555 176.280 174.700 0.042 0.000 1.038 32 T CA 2.145 64.270 62.100 0.041 0.000 1.145 32 T CB -0.947 67.950 68.868 0.049 0.000 0.858 32 T HN 2.247 nan 8.240 nan 0.000 0.459 33 G N 0.897 109.729 108.800 0.053 0.000 2.132 33 G HA2 -0.234 3.722 3.960 -0.007 0.000 0.234 33 G HA3 -0.234 3.722 3.960 -0.007 0.000 0.234 33 G C -0.264 174.668 174.900 0.053 0.000 0.989 33 G CA 0.269 45.399 45.100 0.050 0.000 0.676 33 G HN 0.955 nan 8.290 nan 0.000 0.522 34 E N 0.345 120.583 120.200 0.062 0.000 2.331 34 E HA 0.420 4.766 4.350 -0.007 0.000 0.272 34 E C 0.064 176.705 176.600 0.068 0.000 1.036 34 E CA -0.567 55.870 56.400 0.061 0.000 0.864 34 E CB 0.501 30.242 29.700 0.069 0.000 1.035 34 E HN 0.340 nan 8.360 nan 0.000 0.408 35 E N 4.834 125.067 120.200 0.054 0.000 2.052 35 E HA 0.067 4.413 4.350 -0.007 0.000 0.283 35 E C 0.597 177.229 176.600 0.052 0.000 1.071 35 E CA -0.162 56.270 56.400 0.054 0.000 0.851 35 E CB 0.448 30.167 29.700 0.032 0.000 1.066 35 E HN 0.624 nan 8.360 nan 0.000 0.396 36 L N 4.426 125.693 121.223 0.073 0.000 2.209 36 L HA 0.097 4.433 4.340 -0.007 0.000 0.207 36 L C 0.276 177.207 176.870 0.101 0.000 1.094 36 L CA 0.440 55.313 54.840 0.056 0.000 0.790 36 L CB 0.003 42.076 42.059 0.023 0.000 0.932 36 L HN 0.551 nan 8.230 nan 0.000 0.447 37 Y N -0.793 119.490 120.300 -0.027 0.000 2.521 37 Y HA 0.452 4.998 4.550 -0.007 0.000 0.328 37 Y C -1.089 174.811 175.900 -0.001 0.000 1.151 37 Y CA -1.046 57.037 58.100 -0.028 0.000 1.054 37 Y CB 1.910 40.339 38.460 -0.052 0.000 1.338 37 Y HN -0.228 nan 8.280 nan 0.000 0.453 38 S N 5.604 121.088 115.700 -0.361 0.000 2.689 38 S HA 0.613 5.079 4.470 -0.007 0.000 0.274 38 S C -1.983 172.475 174.600 -0.236 0.000 1.176 38 S CA -0.671 57.445 58.200 -0.140 0.000 1.014 38 S CB 0.775 63.932 63.200 -0.072 0.000 1.071 38 S HN 0.834 nan 8.310 nan 0.000 0.478 39 R N 3.498 123.982 120.500 -0.027 0.000 2.502 39 R HA 0.396 4.732 4.340 -0.007 0.000 0.298 39 R C -1.004 175.323 176.300 0.045 0.000 1.018 39 R CA -0.252 55.848 56.100 -0.000 0.000 0.899 39 R CB 0.551 30.915 30.300 0.108 0.000 1.181 39 R HN 0.705 nan 8.270 nan 0.000 0.444 40 D N 3.298 123.709 120.400 0.018 0.000 2.708 40 D HA -0.157 4.479 4.640 -0.007 0.000 0.236 40 D C 0.806 177.128 176.300 0.037 0.000 1.146 40 D CA 1.346 55.362 54.000 0.027 0.000 0.662 40 D CB -0.665 40.155 40.800 0.035 0.000 1.059 40 D HN 0.934 nan 8.370 nan 0.000 0.428 41 G N 0.174 108.994 108.800 0.033 0.000 2.443 41 G HA2 -0.051 3.905 3.960 -0.007 0.000 0.219 41 G HA3 -0.051 3.905 3.960 -0.007 0.000 0.219 41 G C 1.519 176.443 174.900 0.040 0.000 1.131 41 G CA 0.934 46.061 45.100 0.044 0.000 0.775 41 G HN 0.462 nan 8.290 nan 0.000 0.547 42 G N -0.400 108.417 108.800 0.028 0.000 3.042 42 G HA2 0.212 4.168 3.960 -0.007 0.000 0.212 42 G HA3 0.212 4.168 3.960 -0.007 0.000 0.212 42 G C 0.427 175.341 174.900 0.022 0.000 1.166 42 G CA -0.056 45.059 45.100 0.025 0.000 0.767 42 G HN 0.404 nan 8.290 nan 0.000 0.546 43 E N 1.434 121.649 120.200 0.025 0.000 2.351 43 E HA 0.148 4.494 4.350 -0.007 0.000 0.266 43 E C 0.331 176.944 176.600 0.022 0.000 1.031 43 E CA -0.085 56.328 56.400 0.022 0.000 0.911 43 E CB 0.188 29.903 29.700 0.026 0.000 0.986 43 E HN 0.340 nan 8.360 nan 0.000 0.446 44 Q N 3.817 123.626 119.800 0.015 0.000 2.297 44 Q HA 0.335 4.671 4.340 -0.007 0.000 0.267 44 Q C -0.410 175.598 176.000 0.013 0.000 1.006 44 Q CA 0.157 55.965 55.803 0.009 0.000 0.896 44 Q CB 0.734 29.472 28.738 0.000 0.000 1.186 44 Q HN 0.508 nan 8.270 nan 0.000 0.392 45 L N 1.772 123.004 121.223 0.014 0.000 2.359 45 L HA 0.497 4.833 4.340 -0.007 0.000 0.256 45 L C -0.612 176.266 176.870 0.015 0.000 1.026 45 L CA -1.133 53.719 54.840 0.020 0.000 0.828 45 L CB 1.514 43.592 42.059 0.032 0.000 1.406 45 L HN 0.434 nan 8.230 nan 0.000 0.413 46 L N 2.851 124.085 121.223 0.017 0.000 2.410 46 L HA 0.194 4.530 4.340 -0.007 0.000 0.273 46 L C -1.496 175.385 176.870 0.018 0.000 1.152 46 L CA -1.094 53.752 54.840 0.011 0.000 0.855 46 L CB 0.682 42.745 42.059 0.006 0.000 1.129 46 L HN 0.424 nan 8.230 nan 0.000 0.463 47 P HA 0.036 nan 4.420 nan 0.000 0.245 47 P C 0.679 177.996 177.300 0.028 0.000 1.199 47 P CA 0.890 64.015 63.100 0.040 0.000 0.807 47 P CB 0.847 32.588 31.700 0.068 0.000 1.002 48 A N 0.689 123.515 122.820 0.010 0.000 5.700 48 A HA -0.257 4.059 4.320 -0.007 0.000 0.288 48 A C 1.744 179.334 177.584 0.010 0.000 2.009 48 A CA 1.461 53.490 52.037 -0.013 0.000 0.716 48 A CB -2.457 16.525 19.000 -0.029 0.000 1.208 48 A HN 0.159 nan 8.150 nan 0.000 0.371 49 S N 0.582 116.279 115.700 -0.006 0.000 2.537 49 S HA -0.102 4.365 4.470 -0.007 0.000 0.240 49 S C 1.345 175.951 174.600 0.010 0.000 0.981 49 S CA 1.348 59.552 58.200 0.006 0.000 0.948 49 S CB -0.668 62.522 63.200 -0.017 0.000 0.759 49 S HN 0.626 nan 8.310 nan 0.000 0.531 50 N N 1.099 119.812 118.700 0.022 0.000 2.550 50 N HA 0.053 4.789 4.740 -0.007 0.000 0.186 50 N C 1.321 176.918 175.510 0.145 0.000 1.110 50 N CA 0.274 53.345 53.050 0.034 0.000 0.912 50 N CB -0.233 38.275 38.487 0.035 0.000 0.968 50 N HN 0.313 nan 8.380 nan 0.000 0.448 51 M N 0.535 120.234 119.600 0.166 0.000 2.394 51 M HA 0.005 4.481 4.480 -0.007 0.000 0.264 51 M C 1.293 177.767 176.300 0.290 0.000 1.073 51 M CA 1.420 56.881 55.300 0.269 0.000 1.111 51 M CB 0.065 32.759 32.600 0.157 0.000 1.401 51 M HN -0.116 nan 8.290 nan 0.000 0.448 52 K N -0.185 120.305 120.400 0.150 0.000 2.280 52 K HA -0.103 4.213 4.320 -0.007 0.000 0.202 52 K C 1.803 178.444 176.600 0.069 0.000 1.047 52 K CA 1.121 57.460 56.287 0.086 0.000 0.942 52 K CB -0.384 32.044 32.500 -0.120 0.000 0.739 52 K HN 0.423 nan 8.250 nan 0.000 0.457 53 L N -0.321 120.935 121.223 0.054 0.000 2.017 53 L HA -0.185 4.151 4.340 -0.007 0.000 0.208 53 L C 2.133 179.077 176.870 0.123 0.000 1.073 53 L CA 1.448 56.314 54.840 0.043 0.000 0.745 53 L CB -0.460 41.531 42.059 -0.113 0.000 0.894 53 L HN 0.096 nan 8.230 nan 0.000 0.432 54 F N -0.135 119.918 119.950 0.171 0.000 2.171 54 F HA -0.206 4.318 4.527 -0.005 0.000 0.300 54 F C 2.662 178.554 175.800 0.152 0.000 1.090 54 F CA 1.615 59.704 58.000 0.149 0.000 1.293 54 F CB -1.078 37.986 39.000 0.107 0.000 1.013 54 F HN 0.016 nan 8.300 nan 0.000 0.486 55 T N -0.424 114.338 114.554 0.346 0.000 2.821 55 T HA -0.127 4.219 4.350 -0.007 0.000 0.267 55 T C 2.211 177.072 174.700 0.268 0.000 1.046 55 T CA 1.227 63.506 62.100 0.298 0.000 1.139 55 T CB -0.497 68.579 68.868 0.348 0.000 0.871 55 T HN 0.311 nan 8.240 nan 0.000 0.454 56 A N 1.131 124.113 122.820 0.270 0.000 1.975 56 A HA 0.484 4.801 4.320 -0.007 0.000 0.215 56 A C 2.434 180.057 177.584 0.065 0.000 1.170 56 A CA 1.075 53.258 52.037 0.242 0.000 0.656 56 A CB -0.666 18.483 19.000 0.248 0.000 0.821 56 A HN 0.463 nan 8.150 nan 0.000 0.449 57 A N -0.860 122.015 122.820 0.091 0.000 2.239 57 A HA 0.448 4.764 4.320 -0.007 0.000 0.209 57 A C 1.918 179.463 177.584 -0.065 0.000 1.171 57 A CA 1.388 53.318 52.037 -0.179 0.000 0.768 57 A CB -0.427 18.495 19.000 -0.129 0.000 0.790 57 A HN 0.846 nan 8.150 nan 0.000 0.478 58 A N -1.094 121.730 122.820 0.005 0.000 2.026 58 A HA 0.559 4.875 4.320 -0.007 0.000 0.201 58 A C 2.226 179.809 177.584 -0.002 0.000 1.318 58 A CA 1.018 53.084 52.037 0.050 0.000 0.857 58 A CB -0.653 18.414 19.000 0.111 0.000 0.939 58 A HN 0.806 nan 8.150 nan 0.000 0.476 59 A N 0.186 123.000 122.820 -0.010 0.000 1.972 59 A HA 0.018 4.334 4.320 -0.007 0.000 0.219 59 A C 1.990 179.505 177.584 -0.114 0.000 1.169 59 A CA 1.362 53.387 52.037 -0.020 0.000 0.635 59 A CB -0.573 18.458 19.000 0.052 0.000 0.810 59 A HN 0.438 nan 8.150 nan 0.000 0.446 60 L N -0.791 120.253 121.223 -0.298 0.000 2.291 60 L HA -0.086 4.250 4.340 -0.007 0.000 0.214 60 L C 2.450 179.175 176.870 -0.241 0.000 1.120 60 L CA 0.718 55.241 54.840 -0.528 0.000 0.799 60 L CB -0.291 40.884 42.059 -1.474 0.000 0.925 60 L HN 0.337 nan 8.230 nan 0.000 0.446 61 E N -0.254 119.920 120.200 -0.043 0.000 2.060 61 E HA -0.081 4.265 4.350 -0.007 0.000 0.189 61 E C 2.347 179.002 176.600 0.092 0.000 0.974 61 E CA 0.966 57.473 56.400 0.178 0.000 0.808 61 E CB -0.041 29.777 29.700 0.197 0.000 0.768 61 E HN 0.257 nan 8.360 nan 0.000 0.453 62 V N 1.379 121.313 119.914 0.032 0.000 2.302 62 V HA -0.146 3.970 4.120 -0.007 0.000 0.243 62 V C 2.393 178.471 176.094 -0.027 0.000 1.036 62 V CA 1.263 63.569 62.300 0.009 0.000 1.020 62 V CB -0.344 31.476 31.823 -0.005 0.000 0.657 62 V HN 0.151 nan 8.190 nan 0.000 0.453 63 L N -0.216 120.953 121.223 -0.090 0.000 2.416 63 L HA 0.451 4.787 4.340 -0.007 0.000 0.216 63 L C 1.088 177.966 176.870 0.012 0.000 1.098 63 L CA 0.669 55.390 54.840 -0.198 0.000 0.840 63 L CB -0.432 41.310 42.059 -0.529 0.000 0.981 63 L HN 0.544 nan 8.230 nan 0.000 0.462 64 G N -0.040 108.776 108.800 0.028 0.000 2.862 64 G HA2 -0.134 3.823 3.960 -0.007 0.000 0.686 64 G HA3 -0.134 3.823 3.960 -0.007 0.000 0.686 64 G C 0.561 175.508 174.900 0.079 0.000 1.134 64 G CA -0.332 44.817 45.100 0.081 0.000 0.791 64 G HN 0.230 nan 8.290 nan 0.000 0.592 65 A N 0.982 123.851 122.820 0.082 0.000 2.272 65 A HA 0.121 4.437 4.320 -0.007 0.000 0.213 65 A C 1.896 179.535 177.584 0.091 0.000 1.183 65 A CA 2.138 54.226 52.037 0.086 0.000 0.719 65 A CB -0.193 18.885 19.000 0.130 0.000 0.771 65 A HN 1.279 nan 8.150 nan 0.000 0.484 66 D N -2.288 118.160 120.400 0.081 0.000 2.398 66 D HA 0.036 4.672 4.640 -0.007 0.000 0.210 66 D C 0.378 176.680 176.300 0.003 0.000 1.094 66 D CA -0.424 53.601 54.000 0.042 0.000 0.839 66 D CB -0.767 40.047 40.800 0.024 0.000 0.963 66 D HN 0.487 nan 8.370 nan 0.000 0.506 67 H N 0.678 119.707 119.070 -0.068 0.000 2.948 67 H HA 0.271 4.823 4.556 -0.006 0.000 0.351 67 H C -0.453 174.743 175.328 -0.220 0.000 1.079 67 H CA 0.886 56.827 56.048 -0.178 0.000 1.407 67 H CB 0.642 30.266 29.762 -0.230 0.000 1.373 67 H HN -0.148 nan 8.280 nan 0.000 0.605 68 S N 3.143 118.459 115.700 -0.641 0.000 2.541 68 S HA 0.404 4.870 4.470 -0.007 0.000 0.280 68 S C -1.447 172.809 174.600 -0.573 0.000 1.112 68 S CA -0.746 57.227 58.200 -0.378 0.000 0.925 68 S CB 1.006 64.054 63.200 -0.253 0.000 1.067 68 S HN 0.405 nan 8.310 nan 0.000 0.479 69 F N 1.133 120.996 119.950 -0.145 0.000 2.450 69 F HA 0.746 5.269 4.527 -0.007 0.000 0.332 69 F C 0.954 176.635 175.800 -0.199 0.000 1.093 69 F CA -0.565 57.338 58.000 -0.160 0.000 1.003 69 F CB 1.458 40.391 39.000 -0.112 0.000 1.151 69 F HN 0.692 nan 8.300 nan 0.000 0.474 70 G N 0.564 109.300 108.800 -0.108 0.000 2.481 70 G HA2 0.646 4.602 3.960 -0.007 0.000 0.315 70 G HA3 0.646 4.602 3.960 -0.007 0.000 0.315 70 G C -1.331 173.487 174.900 -0.135 0.000 1.231 70 G CA -0.673 44.347 45.100 -0.133 0.000 0.968 70 G HN 0.535 nan 8.290 nan 0.000 0.482 71 T N 0.501 115.009 114.554 -0.077 0.000 2.908 71 T HA 0.717 5.063 4.350 -0.007 0.000 0.290 71 T C -0.888 173.762 174.700 -0.085 0.000 1.034 71 T CA -0.395 61.650 62.100 -0.092 0.000 1.010 71 T CB 2.188 71.015 68.868 -0.069 0.000 1.068 71 T HN 0.521 nan 8.240 nan 0.000 0.481 72 E N 0.270 120.407 120.200 -0.105 0.000 2.392 72 E HA 0.629 4.975 4.350 -0.007 0.000 0.279 72 E C -1.510 175.055 176.600 -0.060 0.000 0.964 72 E CA -0.618 55.740 56.400 -0.070 0.000 0.777 72 E CB 2.062 31.729 29.700 -0.054 0.000 1.249 72 E HN 0.326 nan 8.360 nan 0.000 0.449 73 V N 0.885 120.796 119.914 -0.005 0.000 2.715 73 V HA 0.981 5.097 4.120 -0.007 0.000 0.310 73 V C -0.669 175.499 176.094 0.123 0.000 1.054 73 V CA -0.548 61.791 62.300 0.065 0.000 0.928 73 V CB 1.571 33.474 31.823 0.133 0.000 1.007 73 V HN 0.781 nan 8.190 nan 0.000 0.437 74 A N 2.753 125.694 122.820 0.202 0.000 2.604 74 A HA 0.985 5.301 4.320 -0.007 0.000 0.295 74 A C -0.821 176.966 177.584 0.339 0.000 1.067 74 A CA -0.065 52.109 52.037 0.229 0.000 0.683 74 A CB 1.817 20.946 19.000 0.215 0.000 1.281 74 A HN 1.607 nan 8.150 nan 0.000 0.407 75 A N 0.026 122.980 122.820 0.223 0.000 2.423 75 A HA 0.738 5.054 4.320 -0.007 0.000 0.304 75 A C 0.686 178.156 177.584 -0.191 0.000 1.104 75 A CA 0.233 52.337 52.037 0.111 0.000 0.757 75 A CB 1.106 20.118 19.000 0.020 0.000 1.313 75 A HN 1.031 nan 8.150 nan 0.000 0.423 76 E N 0.376 120.017 120.200 -0.932 0.000 2.070 76 E HA -0.095 4.251 4.350 -0.007 0.000 0.197 76 E C 0.038 176.322 176.600 -0.526 0.000 1.004 76 E CA 1.731 57.306 56.400 -1.376 0.000 0.805 76 E CB 0.052 28.647 29.700 -1.843 0.000 0.744 76 E HN 0.596 nan 8.360 nan 0.000 0.451 77 S N -1.165 114.319 115.700 -0.359 0.000 2.549 77 S HA 0.619 5.085 4.470 -0.007 0.000 0.280 77 S C -0.785 173.746 174.600 -0.115 0.000 1.109 77 S CA -0.561 57.526 58.200 -0.188 0.000 0.905 77 S CB 1.878 64.975 63.200 -0.171 0.000 1.081 77 S HN 0.437 nan 8.310 nan 0.000 0.477 78 A N 3.128 125.908 122.820 -0.067 0.000 2.409 78 A HA 0.585 4.901 4.320 -0.007 0.000 0.246 78 A C -1.837 175.724 177.584 -0.039 0.000 1.099 78 A CA -0.605 51.410 52.037 -0.038 0.000 0.789 78 A CB -0.806 18.180 19.000 -0.023 0.000 1.053 78 A HN 0.582 nan 8.150 nan 0.000 0.503 79 P HA 0.568 nan 4.420 nan 0.000 0.302 79 P C 0.338 177.626 177.300 -0.021 0.000 1.307 79 P CA 0.548 63.634 63.100 -0.022 0.000 0.754 79 P CB 1.286 32.977 31.700 -0.014 0.000 1.298 80 G N -1.192 107.597 108.800 -0.018 0.000 3.454 80 G HA2 0.104 4.060 3.960 -0.007 0.000 0.162 80 G HA3 0.104 4.060 3.960 -0.007 0.000 0.162 80 G C 1.008 175.900 174.900 -0.014 0.000 1.223 80 G CA -0.194 44.896 45.100 -0.016 0.000 1.394 80 G HN 0.382 nan 8.290 nan 0.000 0.709 81 R N 0.013 120.505 120.500 -0.013 0.000 2.410 81 R HA -0.114 4.222 4.340 -0.007 0.000 0.207 81 R C 2.083 178.377 176.300 -0.011 0.000 1.020 81 R CA 2.025 58.118 56.100 -0.011 0.000 0.796 81 R CB -0.264 30.030 30.300 -0.011 0.000 0.771 81 R HN 0.220 nan 8.270 nan 0.000 0.435 82 R N 0.511 121.005 120.500 -0.011 0.000 2.346 82 R HA 0.092 4.428 4.340 -0.007 0.000 0.225 82 R C 0.598 176.891 176.300 -0.012 0.000 0.987 82 R CA 0.692 56.786 56.100 -0.011 0.000 1.106 82 R CB -0.655 29.639 30.300 -0.010 0.000 1.090 82 R HN 0.706 nan 8.270 nan 0.000 0.502 83 G N 1.969 110.761 108.800 -0.012 0.000 2.393 83 G HA2 -0.301 3.655 3.960 -0.007 0.000 0.299 83 G HA3 -0.301 3.655 3.960 -0.007 0.000 0.299 83 G C -0.505 174.388 174.900 -0.012 0.000 0.990 83 G CA 0.324 45.417 45.100 -0.012 0.000 1.118 83 G HN 0.473 nan 8.290 nan 0.000 0.513 84 E N -0.914 119.278 120.200 -0.013 0.000 2.171 84 E HA 0.555 4.901 4.350 -0.007 0.000 0.271 84 E C 0.400 176.992 176.600 -0.014 0.000 0.916 84 E CA -0.791 55.602 56.400 -0.012 0.000 0.774 84 E CB 2.397 32.091 29.700 -0.010 0.000 1.128 84 E HN 0.535 nan 8.360 nan 0.000 0.403 85 V N -0.283 119.626 119.914 -0.007 0.000 2.919 85 V HA 0.374 4.490 4.120 -0.007 0.000 0.316 85 V C 0.354 176.454 176.094 0.009 0.000 1.077 85 V CA -0.876 61.419 62.300 -0.008 0.000 0.977 85 V CB 2.016 33.841 31.823 0.003 0.000 1.039 85 V HN 0.577 nan 8.190 nan 0.000 0.441 86 Q N 0.642 120.450 119.800 0.013 0.000 1.956 86 Q HA 0.250 4.586 4.340 -0.007 0.000 0.555 86 Q C -0.289 175.775 176.000 0.107 0.000 0.966 86 Q CA 0.514 56.349 55.803 0.053 0.000 0.791 86 Q CB -0.044 28.727 28.738 0.055 0.000 2.750 86 Q HN 0.958 nan 8.270 nan 0.000 0.344 87 D N 0.378 120.897 120.400 0.199 0.000 2.341 87 D HA 0.399 5.035 4.640 -0.007 0.000 0.245 87 D C -0.616 175.869 176.300 0.308 0.000 1.106 87 D CA 0.193 54.368 54.000 0.291 0.000 0.905 87 D CB 0.714 41.809 40.800 0.492 0.000 1.202 87 D HN 0.094 nan 8.370 nan 0.000 0.426 88 L N 1.853 123.194 121.223 0.197 0.000 2.436 88 L HA 0.375 4.711 4.340 -0.007 0.000 0.268 88 L C -1.397 175.526 176.870 0.089 0.000 0.974 88 L CA -0.892 54.085 54.840 0.229 0.000 0.826 88 L CB 1.396 43.561 42.059 0.177 0.000 1.291 88 L HN 0.348 nan 8.230 nan 0.000 0.406 89 Y N 3.493 123.941 120.300 0.247 0.000 2.335 89 Y HA 0.416 4.962 4.550 -0.007 0.000 0.338 89 Y C -0.233 175.720 175.900 0.087 0.000 0.977 89 Y CA -0.674 57.529 58.100 0.171 0.000 1.114 89 Y CB 1.885 40.404 38.460 0.097 0.000 1.182 89 Y HN 0.295 nan 8.280 nan 0.000 0.463 90 L N 5.381 126.687 121.223 0.138 0.000 2.268 90 L HA 0.541 4.877 4.340 -0.007 0.000 0.289 90 L C -1.069 175.801 176.870 -0.001 0.000 1.064 90 L CA -0.488 54.326 54.840 -0.044 0.000 0.824 90 L CB 0.197 42.161 42.059 -0.158 0.000 1.202 90 L HN 0.402 nan 8.230 nan 0.000 0.433 91 V N 5.254 125.154 119.914 -0.024 0.000 2.334 91 V HA 0.771 4.887 4.120 -0.007 0.000 0.281 91 V C 0.656 176.689 176.094 -0.102 0.000 1.016 91 V CA -0.349 61.932 62.300 -0.031 0.000 0.832 91 V CB 0.940 32.753 31.823 -0.018 0.000 0.999 91 V HN 0.858 nan 8.190 nan 0.000 0.439 92 G N 3.730 112.463 108.800 -0.112 0.000 2.453 92 G HA2 0.689 4.645 3.960 -0.007 0.000 0.323 92 G HA3 0.689 4.645 3.960 -0.007 0.000 0.323 92 G C -0.429 174.336 174.900 -0.226 0.000 1.198 92 G CA -0.870 44.135 45.100 -0.159 0.000 0.959 92 G HN 0.614 nan 8.290 nan 0.000 0.482 93 R N 0.922 121.216 120.500 -0.343 0.000 2.748 93 R HA 0.390 4.726 4.340 -0.007 0.000 0.283 93 R C 0.806 176.847 176.300 -0.431 0.000 1.507 93 R CA 0.057 55.756 56.100 -0.669 0.000 1.666 93 R CB 1.056 30.622 30.300 -1.223 0.000 1.237 93 R HN 1.086 nan 8.270 nan 0.000 0.633 94 G N 1.260 109.871 108.800 -0.315 0.000 2.143 94 G HA2 -0.301 3.655 3.960 -0.007 0.000 0.248 94 G HA3 -0.301 3.655 3.960 -0.007 0.000 0.248 94 G C -0.205 174.542 174.900 -0.255 0.000 0.991 94 G CA 0.380 45.330 45.100 -0.250 0.000 0.689 94 G HN 0.556 nan 8.290 nan 0.000 0.522 95 D N 0.629 120.911 120.400 -0.197 0.000 2.371 95 D HA 0.371 5.007 4.640 -0.007 0.000 0.256 95 D C -0.292 175.787 176.300 -0.368 0.000 1.193 95 D CA -1.589 52.233 54.000 -0.296 0.000 0.881 95 D CB 1.033 41.786 40.800 -0.078 0.000 1.143 95 D HN 0.181 nan 8.370 nan 0.000 0.473 96 P HA 0.046 nan 4.420 nan 0.000 0.257 96 P C 0.217 177.309 177.300 -0.346 0.000 1.281 96 P CA 0.321 63.150 63.100 -0.452 0.000 0.826 96 P CB 0.138 31.360 31.700 -0.796 0.000 1.237 97 T N -3.915 110.425 114.554 -0.356 0.000 3.231 97 T HA 0.222 4.568 4.350 -0.007 0.000 0.292 97 T C 0.434 175.077 174.700 -0.095 0.000 1.001 97 T CA -0.362 61.505 62.100 -0.389 0.000 0.920 97 T CB -0.578 67.849 68.868 -0.734 0.000 1.140 97 T HN -0.074 nan 8.240 nan 0.000 0.525 98 L N 4.181 125.372 121.223 -0.053 0.000 2.638 98 L HA 0.211 4.547 4.340 -0.007 0.000 0.273 98 L C 0.963 177.835 176.870 0.005 0.000 1.147 98 L CA -0.204 54.609 54.840 -0.044 0.000 0.941 98 L CB 0.122 42.140 42.059 -0.068 0.000 1.251 98 L HN 0.581 nan 8.230 nan 0.000 0.479 99 S N 2.874 118.571 115.700 -0.005 0.000 2.645 99 S HA 0.371 4.837 4.470 -0.007 0.000 0.266 99 S C 1.093 175.679 174.600 -0.023 0.000 1.258 99 S CA -0.184 58.031 58.200 0.026 0.000 0.990 99 S CB 1.743 64.969 63.200 0.043 0.000 0.967 99 S HN 0.625 nan 8.310 nan 0.000 0.556 100 A N 0.108 122.921 122.820 -0.011 0.000 1.929 100 A HA 0.003 4.320 4.320 -0.007 0.000 0.216 100 A C 2.109 179.686 177.584 -0.012 0.000 1.176 100 A CA 1.413 53.446 52.037 -0.008 0.000 0.628 100 A CB -1.046 17.949 19.000 -0.008 0.000 0.816 100 A HN 0.989 nan 8.150 nan 0.000 0.444 101 E N -0.147 120.040 120.200 -0.021 0.000 2.107 101 E HA -0.195 4.151 4.350 -0.007 0.000 0.191 101 E C 1.137 177.709 176.600 -0.047 0.000 0.982 101 E CA 1.011 57.400 56.400 -0.019 0.000 0.809 101 E CB -0.082 29.613 29.700 -0.009 0.000 0.756 101 E HN 0.474 nan 8.360 nan 0.000 0.459 102 D N 0.653 120.981 120.400 -0.121 0.000 2.158 102 D HA -0.197 4.439 4.640 -0.007 0.000 0.197 102 D C 1.960 178.134 176.300 -0.210 0.000 0.995 102 D CA 0.926 54.729 54.000 -0.328 0.000 0.846 102 D CB -0.146 40.265 40.800 -0.648 0.000 0.941 102 D HN 0.283 nan 8.370 nan 0.000 0.456 103 L N 0.341 121.514 121.223 -0.083 0.000 2.156 103 L HA -0.106 4.230 4.340 -0.007 0.000 0.208 103 L C 2.107 179.115 176.870 0.230 0.000 1.095 103 L CA 0.817 55.719 54.840 0.103 0.000 0.770 103 L CB -0.140 42.016 42.059 0.161 0.000 0.914 103 L HN -0.029 nan 8.230 nan 0.000 0.439 104 D N 0.135 120.584 120.400 0.083 0.000 2.234 104 D HA -0.089 4.547 4.640 -0.007 0.000 0.205 104 D C 2.055 178.381 176.300 0.044 0.000 0.962 104 D CA 1.078 55.102 54.000 0.041 0.000 0.855 104 D CB 0.501 41.304 40.800 0.004 0.000 0.951 104 D HN 0.272 nan 8.370 nan 0.000 0.500 105 A N 0.130 122.978 122.820 0.047 0.000 2.014 105 A HA -0.038 4.278 4.320 -0.007 0.000 0.218 105 A C 2.202 179.841 177.584 0.092 0.000 1.163 105 A CA 0.691 52.761 52.037 0.055 0.000 0.652 105 A CB -0.274 18.759 19.000 0.056 0.000 0.808 105 A HN 0.208 nan 8.150 nan 0.000 0.449 106 M N -1.169 118.523 119.600 0.153 0.000 2.435 106 M HA 0.055 4.531 4.480 -0.007 0.000 0.265 106 M C 2.419 178.896 176.300 0.295 0.000 1.104 106 M CA 0.887 56.330 55.300 0.239 0.000 1.140 106 M CB -0.126 32.628 32.600 0.256 0.000 1.372 106 M HN 0.449 nan 8.290 nan 0.000 0.456 107 A N 0.607 123.543 122.820 0.194 0.000 1.930 107 A HA -0.010 4.306 4.320 -0.007 0.000 0.217 107 A C 2.314 179.857 177.584 -0.068 0.000 1.175 107 A CA 1.836 53.781 52.037 -0.154 0.000 0.627 107 A CB -0.695 18.133 19.000 -0.285 0.000 0.815 107 A HN 0.458 nan 8.150 nan 0.000 0.443 108 A N -0.096 122.720 122.820 -0.008 0.000 1.872 108 A HA -0.124 4.192 4.320 -0.007 0.000 0.214 108 A C 1.901 179.494 177.584 0.015 0.000 1.187 108 A CA 1.495 53.529 52.037 -0.006 0.000 0.614 108 A CB -0.543 18.461 19.000 0.005 0.000 0.826 108 A HN 0.599 nan 8.150 nan 0.000 0.442 109 E N -0.174 120.053 120.200 0.045 0.000 2.085 109 E HA -0.158 4.188 4.350 -0.007 0.000 0.194 109 E C 1.940 178.568 176.600 0.046 0.000 0.994 109 E CA 1.425 57.855 56.400 0.049 0.000 0.801 109 E CB -0.377 29.364 29.700 0.070 0.000 0.743 109 E HN 0.376 nan 8.360 nan 0.000 0.453 110 V N 1.285 121.237 119.914 0.064 0.000 2.380 110 V HA -0.312 3.804 4.120 -0.007 0.000 0.251 110 V C 2.241 178.343 176.094 0.014 0.000 1.063 110 V CA 1.970 64.303 62.300 0.054 0.000 1.055 110 V CB -0.670 31.188 31.823 0.058 0.000 0.657 110 V HN 0.348 nan 8.190 nan 0.000 0.455 111 A N -0.438 122.378 122.820 -0.006 0.000 1.975 111 A HA 0.219 4.535 4.320 -0.007 0.000 0.215 111 A C 2.238 179.819 177.584 -0.006 0.000 1.170 111 A CA 1.198 53.225 52.037 -0.016 0.000 0.656 111 A CB -0.449 18.532 19.000 -0.031 0.000 0.821 111 A HN 0.554 nan 8.150 nan 0.000 0.449 112 A N 0.274 123.096 122.820 0.003 0.000 2.235 112 A HA 0.153 4.469 4.320 -0.007 0.000 0.208 112 A C 1.850 179.439 177.584 0.007 0.000 1.172 112 A CA 1.394 53.434 52.037 0.005 0.000 0.786 112 A CB -0.564 18.442 19.000 0.010 0.000 0.804 112 A HN 0.890 nan 8.150 nan 0.000 0.479 113 S N -2.899 112.807 115.700 0.010 0.000 2.593 113 S HA 0.455 4.921 4.470 -0.007 0.000 0.236 113 S C 1.221 175.823 174.600 0.004 0.000 0.991 113 S CA 0.842 59.048 58.200 0.010 0.000 0.963 113 S CB -0.005 63.207 63.200 0.019 0.000 0.865 113 S HN 1.691 nan 8.310 nan 0.000 0.488 114 G N 0.695 109.495 108.800 -0.000 0.000 2.234 114 G HA2 -0.263 3.693 3.960 -0.007 0.000 0.235 114 G HA3 -0.263 3.693 3.960 -0.007 0.000 0.235 114 G C 0.076 174.972 174.900 -0.007 0.000 0.997 114 G CA -0.159 44.939 45.100 -0.004 0.000 0.623 114 G HN 0.779 nan 8.290 nan 0.000 0.514 115 V N 0.888 120.800 119.914 -0.004 0.000 2.673 115 V HA 0.476 4.592 4.120 -0.007 0.000 0.303 115 V C 1.437 177.521 176.094 -0.016 0.000 1.046 115 V CA 1.422 63.718 62.300 -0.007 0.000 1.126 115 V CB 1.430 33.254 31.823 0.001 0.000 0.934 115 V HN 0.472 nan 8.190 nan 0.000 0.487 116 R N 1.279 121.768 120.500 -0.018 0.000 2.551 116 R HA 0.223 4.559 4.340 -0.007 0.000 0.316 116 R C -0.394 175.891 176.300 -0.025 0.000 0.934 116 R CA 0.165 56.251 56.100 -0.023 0.000 1.117 116 R CB 0.990 31.278 30.300 -0.019 0.000 1.626 116 R HN 0.818 nan 8.270 nan 0.000 0.513 117 T N 0.273 114.815 114.554 -0.020 0.000 3.295 117 T HA 0.242 4.588 4.350 -0.007 0.000 0.331 117 T C -1.169 173.524 174.700 -0.012 0.000 1.142 117 T CA -0.400 61.688 62.100 -0.019 0.000 1.078 117 T CB 2.320 71.180 68.868 -0.014 0.000 1.150 117 T HN -0.194 nan 8.240 nan 0.000 0.465 118 V N 4.060 123.966 119.914 -0.013 0.000 2.204 118 V HA 0.256 4.372 4.120 -0.007 0.000 0.264 118 V C 1.462 177.557 176.094 0.002 0.000 1.106 118 V CA -0.509 61.791 62.300 -0.000 0.000 0.947 118 V CB 0.416 32.237 31.823 -0.005 0.000 1.164 118 V HN 0.656 nan 8.190 nan 0.000 0.461 119 R N 2.272 122.777 120.500 0.008 0.000 2.249 119 R HA 0.009 4.345 4.340 -0.007 0.000 0.230 119 R C 1.239 177.553 176.300 0.023 0.000 1.121 119 R CA 0.965 57.071 56.100 0.011 0.000 0.997 119 R CB -0.166 30.141 30.300 0.011 0.000 0.867 119 R HN 0.750 nan 8.270 nan 0.000 0.465 120 G N -1.330 107.493 108.800 0.038 0.000 2.531 120 G HA2 0.264 4.220 3.960 -0.007 0.000 0.313 120 G HA3 0.264 4.220 3.960 -0.007 0.000 0.313 120 G C -1.090 173.827 174.900 0.029 0.000 1.238 120 G CA -0.748 44.390 45.100 0.063 0.000 0.994 120 G HN 0.126 nan 8.290 nan 0.000 0.493 121 D N -1.007 119.408 120.400 0.024 0.000 2.362 121 D HA 0.306 4.942 4.640 -0.007 0.000 0.242 121 D C -0.097 176.089 176.300 -0.189 0.000 1.132 121 D CA -0.210 53.699 54.000 -0.151 0.000 0.907 121 D CB 1.734 42.318 40.800 -0.361 0.000 1.195 121 D HN 0.177 nan 8.370 nan 0.000 0.429 122 L N 3.215 124.284 121.223 -0.256 0.000 2.314 122 L HA 0.278 4.614 4.340 -0.007 0.000 0.275 122 L C -1.581 175.129 176.870 -0.267 0.000 1.068 122 L CA -0.407 54.334 54.840 -0.165 0.000 0.894 122 L CB -0.677 41.344 42.059 -0.063 0.000 1.275 122 L HN 0.288 nan 8.230 nan 0.000 0.432 123 Y N 2.873 122.986 120.300 -0.312 0.000 2.307 123 Y HA 0.624 5.170 4.550 -0.007 0.000 0.324 123 Y C 0.693 176.501 175.900 -0.153 0.000 1.238 123 Y CA -0.232 57.680 58.100 -0.315 0.000 1.280 123 Y CB 1.214 39.267 38.460 -0.680 0.000 1.248 123 Y HN 0.626 nan 8.280 nan 0.000 0.508 124 A N 2.209 125.112 122.820 0.138 0.000 2.291 124 A HA 0.418 4.734 4.320 -0.007 0.000 0.311 124 A C -1.389 176.297 177.584 0.170 0.000 1.224 124 A CA -0.618 51.489 52.037 0.116 0.000 0.821 124 A CB 0.443 19.481 19.000 0.063 0.000 1.172 124 A HN 0.648 nan 8.150 nan 0.000 0.494 125 D N 2.262 122.768 120.400 0.176 0.000 2.303 125 D HA 0.414 5.051 4.640 -0.007 0.000 0.236 125 D C -0.774 175.570 176.300 0.073 0.000 1.068 125 D CA -0.191 53.900 54.000 0.152 0.000 0.830 125 D CB 1.451 42.354 40.800 0.172 0.000 1.109 125 D HN 0.513 nan 8.370 nan 0.000 0.496 126 D N 1.227 121.670 120.400 0.072 0.000 2.740 126 D HA -0.027 4.609 4.640 -0.007 0.000 0.301 126 D C 0.942 177.300 176.300 0.097 0.000 1.408 126 D CA -0.230 53.806 54.000 0.061 0.000 0.808 126 D CB -0.427 40.408 40.800 0.058 0.000 1.128 126 D HN 0.282 nan 8.370 nan 0.000 0.465 127 T N -3.942 110.670 114.554 0.096 0.000 3.163 127 T HA -0.126 4.220 4.350 -0.007 0.000 0.260 127 T C 1.329 176.125 174.700 0.160 0.000 1.156 127 T CA -0.075 62.085 62.100 0.100 0.000 1.072 127 T CB -0.832 68.069 68.868 0.055 0.000 0.937 127 T HN 0.449 nan 8.240 nan 0.000 0.528 128 W N 0.887 122.160 121.300 -0.045 0.000 2.392 128 W HA 0.107 4.763 4.660 -0.006 0.000 0.279 128 W C -0.824 175.777 176.519 0.137 0.000 1.225 128 W CA 0.074 57.388 57.345 -0.052 0.000 1.233 128 W CB 0.068 29.399 29.460 -0.214 0.000 1.122 128 W HN 0.128 nan 8.180 nan 0.000 0.561 129 F N 1.446 121.385 119.950 -0.017 0.000 2.556 129 F HA 0.201 4.725 4.527 -0.006 0.000 0.327 129 F C 0.392 176.118 175.800 -0.122 0.000 1.059 129 F CA -2.177 55.724 58.000 -0.164 0.000 0.953 129 F CB 0.391 39.319 39.000 -0.119 0.000 1.227 129 F HN -0.215 nan 8.300 nan 0.000 0.478 130 D N -1.202 119.196 120.400 -0.004 0.000 2.384 130 D HA 0.175 4.811 4.640 -0.007 0.000 0.244 130 D C 0.529 176.826 176.300 -0.005 0.000 1.251 130 D CA -0.262 53.718 54.000 -0.033 0.000 0.961 130 D CB 0.339 41.084 40.800 -0.092 0.000 1.116 130 D HN 0.321 nan 8.370 nan 0.000 0.484 131 S N -2.011 113.696 115.700 0.011 0.000 2.660 131 S HA -0.018 4.449 4.470 -0.007 0.000 0.227 131 S C 0.494 175.115 174.600 0.036 0.000 0.948 131 S CA -0.560 57.661 58.200 0.035 0.000 0.948 131 S CB -0.678 62.550 63.200 0.046 0.000 0.779 131 S HN 0.627 nan 8.310 nan 0.000 0.487 132 E N 1.979 122.186 120.200 0.011 0.000 1.944 132 E HA 0.124 4.470 4.350 -0.007 0.000 0.272 132 E C 0.834 177.498 176.600 0.105 0.000 1.195 132 E CA -0.563 55.882 56.400 0.075 0.000 0.926 132 E CB 0.297 30.068 29.700 0.119 0.000 1.051 132 E HN 0.128 nan 8.360 nan 0.000 0.404 133 R N 2.984 123.566 120.500 0.136 0.000 2.066 133 R HA 0.052 4.388 4.340 -0.007 0.000 0.232 133 R C 0.551 177.029 176.300 0.296 0.000 1.131 133 R CA 1.014 57.220 56.100 0.176 0.000 0.955 133 R CB -0.518 29.878 30.300 0.159 0.000 0.851 133 R HN 0.468 nan 8.270 nan 0.000 0.432 134 L N 0.034 121.394 121.223 0.227 0.000 2.341 134 L HA 0.401 4.737 4.340 -0.007 0.000 0.267 134 L C -0.152 176.428 176.870 -0.484 0.000 1.009 134 L CA -1.152 53.698 54.840 0.016 0.000 0.819 134 L CB 2.342 44.515 42.059 0.190 0.000 1.323 134 L HN -0.315 nan 8.230 nan 0.000 0.425 135 V N 1.166 120.129 119.914 -1.586 0.000 2.740 135 V HA -0.079 4.037 4.120 -0.007 0.000 0.303 135 V C 0.846 176.474 176.094 -0.777 0.000 1.054 135 V CA 0.237 61.543 62.300 -1.657 0.000 1.106 135 V CB 1.019 31.515 31.823 -2.212 0.000 0.957 135 V HN 1.019 nan 8.190 nan 0.000 0.486 136 D N 2.900 123.014 120.400 -0.478 0.000 2.158 136 D HA -0.243 4.393 4.640 -0.007 0.000 0.197 136 D C 1.165 177.414 176.300 -0.085 0.000 0.995 136 D CA 1.662 55.541 54.000 -0.203 0.000 0.846 136 D CB -0.275 40.439 40.800 -0.144 0.000 0.941 136 D HN 0.777 nan 8.370 nan 0.000 0.456 137 D N -1.736 118.618 120.400 -0.077 0.000 2.339 137 D HA -0.060 4.576 4.640 -0.007 0.000 0.217 137 D C 0.176 176.709 176.300 0.390 0.000 1.050 137 D CA -0.545 53.529 54.000 0.123 0.000 0.856 137 D CB -0.687 40.180 40.800 0.111 0.000 0.922 137 D HN 0.171 nan 8.370 nan 0.000 0.518 138 W N 1.035 122.393 121.300 0.097 0.000 2.123 138 W HA 0.204 4.859 4.660 -0.008 0.000 0.351 138 W C 0.435 177.173 176.519 0.364 0.000 1.292 138 W CA -1.021 56.411 57.345 0.144 0.000 1.263 138 W CB -0.078 29.411 29.460 0.049 0.000 1.165 138 W HN -0.064 nan 8.180 nan 0.000 0.590 139 W N 3.424 124.843 121.300 0.200 0.000 2.376 139 W HA 0.249 4.907 4.660 -0.004 0.000 0.322 139 W C -0.988 175.607 176.519 0.128 0.000 1.160 139 W CA -2.698 54.718 57.345 0.119 0.000 1.218 139 W CB -0.453 29.043 29.460 0.060 0.000 1.205 139 W HN 0.121 nan 8.180 nan 0.000 0.559 140 P HA -0.153 nan 4.420 nan 0.000 0.225 140 P C 0.843 178.268 177.300 0.208 0.000 1.156 140 P CA 1.607 64.836 63.100 0.216 0.000 0.787 140 P CB 0.284 32.066 31.700 0.138 0.000 0.802 141 E N 0.376 120.723 120.200 0.246 0.000 2.274 141 E HA -0.123 4.224 4.350 -0.007 0.000 0.194 141 E C 0.832 177.599 176.600 0.277 0.000 0.996 141 E CA 0.798 57.338 56.400 0.234 0.000 0.840 141 E CB -0.757 29.086 29.700 0.238 0.000 0.772 141 E HN 0.354 nan 8.360 nan 0.000 0.491 142 D N 1.249 121.806 120.400 0.263 0.000 2.339 142 D HA 0.006 4.642 4.640 -0.007 0.000 0.217 142 D C 1.178 177.632 176.300 0.256 0.000 1.050 142 D CA 0.127 54.278 54.000 0.251 0.000 0.856 142 D CB 0.173 41.015 40.800 0.071 0.000 0.922 142 D HN 0.363 nan 8.370 nan 0.000 0.518 143 E N 0.468 120.785 120.200 0.195 0.000 2.338 143 E HA -0.087 4.259 4.350 -0.007 0.000 0.197 143 E C -0.899 175.698 176.600 -0.004 0.000 1.007 143 E CA 0.465 56.942 56.400 0.128 0.000 0.849 143 E CB -0.290 29.491 29.700 0.136 0.000 0.774 143 E HN 0.299 nan 8.360 nan 0.000 0.506 144 P HA -0.052 nan 4.420 nan 0.000 0.235 144 P C -0.569 176.308 177.300 -0.705 0.000 1.177 144 P CA 0.813 63.600 63.100 -0.522 0.000 0.785 144 P CB 0.166 31.398 31.700 -0.779 0.000 0.885 145 Y N -1.469 118.873 120.300 0.070 0.000 2.352 145 Y HA 0.513 5.059 4.550 -0.007 0.000 0.326 145 Y C 1.894 177.810 175.900 0.026 0.000 1.166 145 Y CA -1.006 57.137 58.100 0.071 0.000 1.182 145 Y CB 0.124 38.692 38.460 0.179 0.000 1.216 145 Y HN -0.211 nan 8.280 nan 0.000 0.474 146 A N 1.713 124.533 122.820 -0.000 0.000 2.009 146 A HA -0.296 4.020 4.320 -0.007 0.000 0.222 146 A C 1.620 179.126 177.584 -0.131 0.000 1.175 146 A CA 2.057 54.012 52.037 -0.136 0.000 0.651 146 A CB -1.271 17.558 19.000 -0.286 0.000 0.815 146 A HN 0.932 nan 8.150 nan 0.000 0.459 147 Y N 0.445 120.749 120.300 0.006 0.000 2.207 147 Y HA -0.112 4.434 4.550 -0.006 0.000 0.287 147 Y C 1.820 177.640 175.900 -0.133 0.000 1.156 147 Y CA 1.403 59.464 58.100 -0.065 0.000 1.182 147 Y CB -0.194 38.207 38.460 -0.097 0.000 0.979 147 Y HN 0.242 nan 8.280 nan 0.000 0.521 148 S N -0.154 115.586 115.700 0.067 0.000 2.484 148 S HA 0.567 5.033 4.470 -0.007 0.000 0.242 148 S C 0.326 175.010 174.600 0.140 0.000 1.158 148 S CA -0.476 57.707 58.200 -0.029 0.000 1.162 148 S CB -0.179 63.005 63.200 -0.026 0.000 0.850 148 S HN 0.314 nan 8.310 nan 0.000 0.477 149 A N 1.675 124.580 122.820 0.142 0.000 2.425 149 A HA 0.319 4.635 4.320 -0.007 0.000 0.249 149 A C 0.557 178.303 177.584 0.270 0.000 1.084 149 A CA -0.332 51.805 52.037 0.166 0.000 0.781 149 A CB 0.175 19.243 19.000 0.113 0.000 1.019 149 A HN 0.563 nan 8.150 nan 0.000 0.490 150 Q N 0.538 120.482 119.800 0.239 0.000 2.369 150 Q HA 0.084 4.420 4.340 -0.007 0.000 0.295 150 Q C -0.367 175.777 176.000 0.241 0.000 1.075 150 Q CA 0.280 56.237 55.803 0.257 0.000 0.941 150 Q CB 0.400 29.250 28.738 0.186 0.000 1.260 150 Q HN 0.538 nan 8.270 nan 0.000 0.417 151 I N 1.386 122.098 120.570 0.236 0.000 2.353 151 I HA 0.278 4.444 4.170 -0.007 0.000 0.293 151 I C 0.150 176.338 176.117 0.118 0.000 0.992 151 I CA 0.226 61.622 61.300 0.160 0.000 1.268 151 I CB 1.196 39.221 38.000 0.041 0.000 1.387 151 I HN 0.529 nan 8.210 nan 0.000 0.478 152 S N 3.626 119.423 115.700 0.161 0.000 2.579 152 S HA 0.684 5.150 4.470 -0.007 0.000 0.272 152 S C 0.545 175.266 174.600 0.202 0.000 1.141 152 S CA 0.063 58.364 58.200 0.168 0.000 0.843 152 S CB 1.842 65.106 63.200 0.106 0.000 1.122 152 S HN 0.668 nan 8.310 nan 0.000 0.468 153 A N 2.316 125.215 122.820 0.132 0.000 1.968 153 A HA 0.262 4.579 4.320 -0.007 0.000 0.217 153 A C 0.812 178.331 177.584 -0.108 0.000 1.169 153 A CA 0.670 52.614 52.037 -0.154 0.000 0.638 153 A CB -0.235 18.647 19.000 -0.198 0.000 0.812 153 A HN 0.737 nan 8.150 nan 0.000 0.446 154 L N 1.053 122.256 121.223 -0.034 0.000 2.337 154 L HA 0.505 4.841 4.340 -0.007 0.000 0.269 154 L C -1.074 175.785 176.870 -0.018 0.000 1.018 154 L CA 0.313 55.126 54.840 -0.046 0.000 0.876 154 L CB 0.597 42.632 42.059 -0.040 0.000 1.236 154 L HN 0.167 nan 8.230 nan 0.000 0.436 155 T N 3.703 118.245 114.554 -0.020 0.000 2.933 155 T HA 0.518 4.864 4.350 -0.007 0.000 0.305 155 T C -0.865 173.836 174.700 0.002 0.000 1.092 155 T CA -0.289 61.814 62.100 0.005 0.000 1.008 155 T CB 1.709 70.603 68.868 0.044 0.000 1.102 155 T HN 0.224 nan 8.240 nan 0.000 0.469 156 V N 3.838 123.759 119.914 0.012 0.000 2.498 156 V HA 0.691 4.807 4.120 -0.007 0.000 0.279 156 V C 0.768 176.910 176.094 0.079 0.000 1.048 156 V CA -0.679 61.638 62.300 0.028 0.000 0.967 156 V CB 0.974 32.810 31.823 0.023 0.000 0.988 156 V HN 1.074 nan 8.190 nan 0.000 0.473 157 A N 3.371 126.258 122.820 0.111 0.000 2.276 157 A HA 0.564 4.880 4.320 -0.007 0.000 0.316 157 A C -0.398 177.307 177.584 0.201 0.000 1.229 157 A CA -0.463 51.693 52.037 0.199 0.000 0.851 157 A CB 0.024 19.203 19.000 0.297 0.000 1.165 157 A HN 1.020 nan 8.150 nan 0.000 0.513 158 H N 1.970 121.089 119.070 0.081 0.000 2.511 158 H HA 0.499 5.051 4.556 -0.006 0.000 0.346 158 H C 1.101 176.406 175.328 -0.037 0.000 1.128 158 H CA 1.277 57.337 56.048 0.020 0.000 1.342 158 H CB 0.857 30.612 29.762 -0.012 0.000 1.470 158 H HN 1.452 nan 8.280 nan 0.000 0.546 159 G N 3.075 111.583 108.800 -0.487 0.000 2.682 159 G HA2 -0.354 3.602 3.960 -0.007 0.000 0.256 159 G HA3 -0.354 3.602 3.960 -0.007 0.000 0.256 159 G C 0.732 175.425 174.900 -0.345 0.000 1.333 159 G CA 0.474 45.388 45.100 -0.310 0.000 0.904 159 G HN 0.900 nan 8.290 nan 0.000 0.569 160 E N -0.408 119.597 120.200 -0.325 0.000 2.481 160 E HA 0.099 4.445 4.350 -0.007 0.000 0.195 160 E C 2.024 178.255 176.600 -0.616 0.000 1.047 160 E CA 0.767 56.916 56.400 -0.418 0.000 0.867 160 E CB 0.103 29.746 29.700 -0.095 0.000 0.858 160 E HN 0.543 nan 8.360 nan 0.000 0.513 161 R N -0.044 120.134 120.500 -0.536 0.000 2.334 161 R HA 0.187 4.523 4.340 -0.007 0.000 0.212 161 R C -0.407 175.769 176.300 -0.207 0.000 0.897 161 R CA -0.065 55.790 56.100 -0.409 0.000 1.056 161 R CB -0.029 29.950 30.300 -0.535 0.000 1.046 161 R HN 0.096 nan 8.270 nan 0.000 0.513 162 F N 1.535 121.554 119.950 0.116 0.000 3.040 162 F HA -0.214 4.309 4.527 -0.007 0.000 0.298 162 F C -0.759 175.095 175.800 0.090 0.000 0.948 162 F CA 0.106 58.199 58.000 0.154 0.000 1.022 162 F CB -1.823 37.364 39.000 0.313 0.000 1.023 162 F HN 0.060 nan 8.300 nan 0.000 0.742 163 D N 1.698 122.169 120.400 0.118 0.000 2.349 163 D HA 0.139 4.775 4.640 -0.007 0.000 0.266 163 D C 1.045 177.408 176.300 0.106 0.000 1.293 163 D CA 0.713 54.734 54.000 0.035 0.000 0.926 163 D CB 0.898 41.663 40.800 -0.057 0.000 1.090 163 D HN 0.397 nan 8.370 nan 0.000 0.502 164 T N -1.722 112.900 114.554 0.115 0.000 2.816 164 T HA 0.429 4.775 4.350 -0.007 0.000 0.282 164 T C 1.378 176.131 174.700 0.088 0.000 0.993 164 T CA -0.185 61.990 62.100 0.125 0.000 0.994 164 T CB 1.403 70.362 68.868 0.152 0.000 1.025 164 T HN 0.512 nan 8.240 nan 0.000 0.529 165 G N -0.178 108.673 108.800 0.084 0.000 2.337 165 G HA2 -0.116 3.840 3.960 -0.007 0.000 0.290 165 G HA3 -0.116 3.840 3.960 -0.007 0.000 0.290 165 G C 0.177 175.109 174.900 0.053 0.000 1.003 165 G CA 0.603 45.747 45.100 0.073 0.000 0.825 165 G HN 1.768 nan 8.290 nan 0.000 0.509 166 V N -4.500 115.439 119.914 0.041 0.000 3.141 166 V HA 0.996 5.112 4.120 -0.007 0.000 0.312 166 V C -0.061 176.042 176.094 0.016 0.000 1.157 166 V CA -0.199 62.105 62.300 0.006 0.000 1.041 166 V CB 2.017 33.810 31.823 -0.050 0.000 1.071 166 V HN 0.752 nan 8.190 nan 0.000 0.441 167 T N 0.155 114.700 114.554 -0.016 0.000 2.906 167 T HA 0.472 4.818 4.350 -0.007 0.000 0.295 167 T C -1.154 173.505 174.700 -0.068 0.000 1.061 167 T CA -0.376 61.728 62.100 0.007 0.000 1.000 167 T CB 1.885 70.779 68.868 0.043 0.000 1.103 167 T HN 1.101 nan 8.240 nan 0.000 0.486 168 E N 2.985 123.158 120.200 -0.044 0.000 2.081 168 E HA 0.530 4.876 4.350 -0.007 0.000 0.281 168 E C -0.868 175.723 176.600 -0.015 0.000 0.986 168 E CA -0.632 55.717 56.400 -0.085 0.000 0.796 168 E CB 0.742 30.420 29.700 -0.036 0.000 1.085 168 E HN 0.421 nan 8.360 nan 0.000 0.398 169 V N 3.494 123.393 119.914 -0.026 0.000 2.567 169 V HA 0.337 4.453 4.120 -0.007 0.000 0.289 169 V C -0.114 175.979 176.094 -0.002 0.000 1.049 169 V CA -0.506 61.791 62.300 -0.006 0.000 0.969 169 V CB 1.677 33.494 31.823 -0.009 0.000 0.995 169 V HN 0.658 nan 8.190 nan 0.000 0.471 170 S N 2.752 118.456 115.700 0.007 0.000 2.526 170 S HA 0.748 5.214 4.470 -0.007 0.000 0.293 170 S C -0.749 173.856 174.600 0.009 0.000 1.092 170 S CA -0.676 57.530 58.200 0.009 0.000 0.980 170 S CB 2.018 65.227 63.200 0.014 0.000 1.048 170 S HN 0.435 nan 8.310 nan 0.000 0.483 171 V N 2.600 122.519 119.914 0.008 0.000 2.443 171 V HA 0.501 4.617 4.120 -0.007 0.000 0.293 171 V C -0.446 175.652 176.094 0.008 0.000 1.021 171 V CA -0.482 61.822 62.300 0.008 0.000 0.848 171 V CB 1.644 33.472 31.823 0.008 0.000 0.998 171 V HN 0.964 nan 8.190 nan 0.000 0.424 172 T N 7.192 121.751 114.554 0.007 0.000 2.797 172 T HA 0.505 4.851 4.350 -0.007 0.000 0.279 172 T C -2.571 172.132 174.700 0.006 0.000 0.991 172 T CA -1.309 60.795 62.100 0.007 0.000 0.979 172 T CB 2.081 70.953 68.868 0.007 0.000 0.943 172 T HN 0.363 nan 8.240 nan 0.000 0.444 173 P HA 0.452 nan 4.420 nan 0.000 0.271 173 P C -0.503 176.800 177.300 0.004 0.000 1.244 173 P CA -0.202 62.901 63.100 0.005 0.000 0.793 173 P CB 0.587 32.290 31.700 0.005 0.000 0.984 174 A N 0.325 123.148 122.820 0.004 0.000 3.891 174 A HA 0.824 5.140 4.320 -0.007 0.000 0.173 174 A C -0.957 176.629 177.584 0.003 0.000 0.735 174 A CA -0.048 51.991 52.037 0.004 0.000 0.892 174 A CB -0.019 18.983 19.000 0.003 0.000 1.601 174 A HN 0.486 nan 8.150 nan 0.000 0.796 175 A N -0.002 122.819 122.820 0.003 0.000 2.312 175 A HA 0.577 4.893 4.320 -0.007 0.000 0.326 175 A C 0.009 177.595 177.584 0.002 0.000 1.172 175 A CA -0.303 51.735 52.037 0.003 0.000 0.821 175 A CB 0.158 19.160 19.000 0.002 0.000 1.166 175 A HN 0.699 nan 8.150 nan 0.000 0.493 176 E N 0.802 121.003 120.200 0.002 0.000 2.820 176 E HA 0.155 4.501 4.350 -0.007 0.000 0.251 176 E C 1.309 177.910 176.600 0.002 0.000 0.944 176 E CA 1.526 57.928 56.400 0.002 0.000 0.955 176 E CB -0.085 29.616 29.700 0.002 0.000 0.904 176 E HN 1.493 nan 8.360 nan 0.000 0.513 177 G N 3.789 112.591 108.800 0.002 0.000 2.254 177 G HA2 -0.274 3.682 3.960 -0.007 0.000 0.225 177 G HA3 -0.274 3.682 3.960 -0.007 0.000 0.225 177 G C 0.076 174.977 174.900 0.002 0.000 1.003 177 G CA 0.229 45.330 45.100 0.002 0.000 0.622 177 G HN 0.595 nan 8.290 nan 0.000 0.507 178 E N 1.544 121.745 120.200 0.002 0.000 2.314 178 E HA 0.475 4.821 4.350 -0.007 0.000 0.262 178 E C -2.404 174.198 176.600 0.002 0.000 1.093 178 E CA -1.849 54.552 56.400 0.002 0.000 0.908 178 E CB 0.932 30.633 29.700 0.002 0.000 1.091 178 E HN 0.183 nan 8.360 nan 0.000 0.425 179 P HA 0.049 nan 4.420 nan 0.000 0.272 179 P C -1.216 176.086 177.300 0.003 0.000 1.230 179 P CA 0.001 63.102 63.100 0.002 0.000 0.788 179 P CB 0.715 32.416 31.700 0.002 0.000 0.949 180 A N 1.251 124.073 122.820 0.004 0.000 2.271 180 A HA 0.383 4.699 4.320 -0.007 0.000 0.288 180 A C -0.172 177.414 177.584 0.004 0.000 1.094 180 A CA -0.120 51.919 52.037 0.004 0.000 0.828 180 A CB -0.072 18.931 19.000 0.005 0.000 1.091 180 A HN 0.501 nan 8.150 nan 0.000 0.493 181 D N 0.088 120.491 120.400 0.005 0.000 2.232 181 D HA 0.467 5.104 4.640 -0.007 0.000 0.242 181 D C -1.011 175.293 176.300 0.007 0.000 1.093 181 D CA 0.066 54.070 54.000 0.006 0.000 0.845 181 D CB 1.136 41.940 40.800 0.006 0.000 1.124 181 D HN 0.159 nan 8.370 nan 0.000 0.467 182 V N 3.883 123.801 119.914 0.006 0.000 2.448 182 V HA 0.388 4.504 4.120 -0.007 0.000 0.295 182 V C -0.583 175.517 176.094 0.009 0.000 1.025 182 V CA -0.851 61.453 62.300 0.007 0.000 0.859 182 V CB 1.786 33.611 31.823 0.004 0.000 0.988 182 V HN 0.527 nan 8.190 nan 0.000 0.431 183 D N 3.619 124.027 120.400 0.013 0.000 2.278 183 D HA 0.504 5.140 4.640 -0.007 0.000 0.245 183 D C 0.466 176.779 176.300 0.020 0.000 1.052 183 D CA -0.424 53.587 54.000 0.018 0.000 0.834 183 D CB 2.172 42.985 40.800 0.021 0.000 1.194 183 D HN 0.361 nan 8.370 nan 0.000 0.481 184 L N 2.016 123.254 121.223 0.026 0.000 2.653 184 L HA 0.282 4.618 4.340 -0.007 0.000 0.232 184 L C 1.499 178.397 176.870 0.046 0.000 1.169 184 L CA -0.200 54.657 54.840 0.029 0.000 0.951 184 L CB -0.930 41.145 42.059 0.026 0.000 1.181 184 L HN 0.705 nan 8.230 nan 0.000 0.460 185 G N 1.107 109.938 108.800 0.051 0.000 2.596 185 G HA2 -0.449 3.507 3.960 -0.007 0.000 0.295 185 G HA3 -0.449 3.507 3.960 -0.007 0.000 0.295 185 G C 1.011 175.964 174.900 0.088 0.000 1.240 185 G CA 0.512 45.654 45.100 0.071 0.000 0.985 185 G HN 0.334 nan 8.290 nan 0.000 0.555 186 A N -0.420 122.462 122.820 0.103 0.000 1.902 186 A HA 0.333 4.649 4.320 -0.007 0.000 0.217 186 A C 2.804 180.479 177.584 0.151 0.000 1.181 186 A CA 3.116 55.225 52.037 0.120 0.000 0.623 186 A CB -0.905 18.161 19.000 0.109 0.000 0.818 186 A HN 2.331 nan 8.150 nan 0.000 0.443 187 A N -0.355 122.541 122.820 0.127 0.000 2.250 187 A HA 0.121 4.437 4.320 -0.007 0.000 0.208 187 A C 0.645 178.288 177.584 0.098 0.000 1.254 187 A CA 0.091 52.223 52.037 0.158 0.000 0.858 187 A CB -0.361 18.743 19.000 0.174 0.000 0.820 187 A HN 0.358 nan 8.150 nan 0.000 0.484 188 E N -0.244 120.015 120.200 0.099 0.000 2.299 188 E HA 0.351 4.697 4.350 -0.007 0.000 0.272 188 E C 1.286 177.916 176.600 0.050 0.000 1.043 188 E CA 0.985 57.427 56.400 0.071 0.000 0.895 188 E CB 0.659 30.414 29.700 0.092 0.000 1.011 188 E HN 0.637 nan 8.360 nan 0.000 0.432 189 G N 4.140 112.922 108.800 -0.031 0.000 2.268 189 G HA2 -0.390 3.566 3.960 -0.007 0.000 0.240 189 G HA3 -0.390 3.566 3.960 -0.007 0.000 0.240 189 G C 0.764 175.483 174.900 -0.301 0.000 1.010 189 G CA 0.531 45.579 45.100 -0.086 0.000 0.618 189 G HN 0.590 nan 8.290 nan 0.000 0.516 190 Y N 1.511 121.493 120.300 -0.531 0.000 2.217 190 Y HA 0.691 5.237 4.550 -0.007 0.000 0.286 190 Y C 1.877 177.661 175.900 -0.194 0.000 1.117 190 Y CA 1.539 59.367 58.100 -0.454 0.000 1.113 190 Y CB -0.443 37.763 38.460 -0.424 0.000 1.053 190 Y HN 0.666 nan 8.280 nan 0.000 0.501 191 A N 1.818 124.469 122.820 -0.282 0.000 2.340 191 A HA 0.320 4.636 4.320 -0.007 0.000 0.268 191 A C -0.062 177.410 177.584 -0.187 0.000 1.100 191 A CA -0.649 51.210 52.037 -0.296 0.000 0.803 191 A CB 0.054 19.011 19.000 -0.071 0.000 1.043 191 A HN 0.462 nan 8.150 nan 0.000 0.488 192 E N -0.435 119.660 120.200 -0.174 0.000 2.391 192 E HA 0.397 4.743 4.350 -0.007 0.000 0.255 192 E C -0.879 175.679 176.600 -0.070 0.000 1.187 192 E CA -0.280 56.053 56.400 -0.112 0.000 0.941 192 E CB 1.021 30.661 29.700 -0.101 0.000 1.010 192 E HN 0.492 nan 8.360 nan 0.000 0.458 193 L N 0.991 122.184 121.223 -0.050 0.000 2.464 193 L HA 0.382 4.718 4.340 -0.007 0.000 0.266 193 L C -1.534 175.321 176.870 -0.025 0.000 0.965 193 L CA -0.433 54.387 54.840 -0.032 0.000 0.833 193 L CB 2.140 44.185 42.059 -0.023 0.000 1.296 193 L HN 0.305 nan 8.230 nan 0.000 0.405 194 D N 2.971 123.359 120.400 -0.019 0.000 2.404 194 D HA 0.241 4.877 4.640 -0.007 0.000 0.267 194 D C -1.114 175.182 176.300 -0.008 0.000 1.194 194 D CA -0.149 53.843 54.000 -0.014 0.000 0.910 194 D CB 0.504 41.296 40.800 -0.014 0.000 1.090 194 D HN 0.486 nan 8.370 nan 0.000 0.511 195 N N 3.021 121.718 118.700 -0.006 0.000 2.439 195 N HA 0.102 4.838 4.740 -0.007 0.000 0.243 195 N C 0.094 175.604 175.510 -0.001 0.000 1.088 195 N CA -0.035 53.013 53.050 -0.003 0.000 0.940 195 N CB 0.508 38.994 38.487 -0.002 0.000 1.180 195 N HN 0.353 nan 8.380 nan 0.000 0.505 196 R N 1.496 121.997 120.500 0.001 0.000 2.472 196 R HA 0.240 4.576 4.340 -0.007 0.000 0.279 196 R C -0.029 176.273 176.300 0.004 0.000 0.953 196 R CA -0.341 55.760 56.100 0.002 0.000 1.088 196 R CB 0.249 30.550 30.300 0.002 0.000 1.197 196 R HN 0.415 nan 8.270 nan 0.000 0.536 197 A N 1.488 124.310 122.820 0.004 0.000 2.366 197 A HA 0.415 4.731 4.320 -0.007 0.000 0.272 197 A C 0.152 177.738 177.584 0.005 0.000 1.135 197 A CA -0.236 51.805 52.037 0.006 0.000 0.804 197 A CB 0.910 19.914 19.000 0.007 0.000 1.064 197 A HN 0.035 nan 8.150 nan 0.000 0.499 198 V N 2.195 122.112 119.914 0.005 0.000 3.177 198 V HA 0.671 4.787 4.120 -0.007 0.000 0.319 198 V C 0.296 176.392 176.094 0.004 0.000 1.125 198 V CA -0.354 61.948 62.300 0.004 0.000 1.029 198 V CB 2.350 34.175 31.823 0.004 0.000 1.119 198 V HN 0.894 nan 8.190 nan 0.000 0.452 199 T N 3.025 117.581 114.554 0.004 0.000 2.749 199 T HA 0.604 4.950 4.350 -0.007 0.000 0.287 199 T C 0.127 174.829 174.700 0.004 0.000 0.970 199 T CA 0.308 62.411 62.100 0.004 0.000 0.980 199 T CB 0.841 69.711 68.868 0.004 0.000 0.924 199 T HN 1.066 nan 8.240 nan 0.000 0.456 200 G N 1.661 110.464 108.800 0.004 0.000 2.502 200 G HA2 0.613 4.569 3.960 -0.007 0.000 0.305 200 G HA3 0.613 4.569 3.960 -0.007 0.000 0.305 200 G C 0.143 175.045 174.900 0.003 0.000 1.190 200 G CA -0.800 44.302 45.100 0.003 0.000 0.933 200 G HN 0.973 nan 8.290 nan 0.000 0.503 201 A N -0.386 122.436 122.820 0.003 0.000 2.536 201 A HA 0.497 4.814 4.320 -0.007 0.000 0.234 201 A C 1.127 178.713 177.584 0.002 0.000 1.076 201 A CA 0.545 52.583 52.037 0.002 0.000 0.769 201 A CB -0.255 18.747 19.000 0.002 0.000 1.020 201 A HN 1.958 nan 8.150 nan 0.000 0.508 202 A N 0.510 123.332 122.820 0.002 0.000 2.492 202 A HA 0.507 4.823 4.320 -0.007 0.000 0.254 202 A C 1.538 179.123 177.584 0.002 0.000 1.091 202 A CA 0.699 52.737 52.037 0.002 0.000 0.768 202 A CB -0.841 18.160 19.000 0.002 0.000 1.028 202 A HN 2.782 nan 8.150 nan 0.000 0.498 203 G N 1.656 110.457 108.800 0.002 0.000 2.141 203 G HA2 -0.143 3.813 3.960 -0.007 0.000 0.242 203 G HA3 -0.143 3.813 3.960 -0.007 0.000 0.242 203 G C 0.486 175.387 174.900 0.002 0.000 0.982 203 G CA 0.729 45.830 45.100 0.002 0.000 0.662 203 G HN 2.096 nan 8.290 nan 0.000 0.527 204 S N -0.267 115.434 115.700 0.002 0.000 2.652 204 S HA 0.799 5.265 4.470 -0.007 0.000 0.270 204 S C 0.718 175.319 174.600 0.003 0.000 1.243 204 S CA 0.395 58.596 58.200 0.003 0.000 0.999 204 S CB 1.919 65.120 63.200 0.003 0.000 0.973 204 S HN 1.919 nan 8.310 nan 0.000 0.544 205 A N 2.010 124.831 122.820 0.003 0.000 2.524 205 A HA 0.256 4.572 4.320 -0.007 0.000 0.250 205 A C 0.457 178.043 177.584 0.004 0.000 1.078 205 A CA -0.316 51.722 52.037 0.003 0.000 0.761 205 A CB -0.880 18.121 19.000 0.003 0.000 1.012 205 A HN 0.867 nan 8.150 nan 0.000 0.500 206 N N 1.932 120.635 118.700 0.004 0.000 2.411 206 N HA 0.216 4.952 4.740 -0.007 0.000 0.259 206 N C 0.476 175.990 175.510 0.007 0.000 1.103 206 N CA 0.607 53.660 53.050 0.006 0.000 0.954 206 N CB 0.615 39.105 38.487 0.006 0.000 1.085 206 N HN 0.557 nan 8.380 nan 0.000 0.485 207 T N 1.421 115.980 114.554 0.008 0.000 3.380 207 T HA 0.216 4.562 4.350 -0.007 0.000 0.289 207 T C 0.287 174.994 174.700 0.013 0.000 1.012 207 T CA -0.632 61.474 62.100 0.010 0.000 0.944 207 T CB -0.457 68.416 68.868 0.008 0.000 1.172 207 T HN 0.278 nan 8.240 nan 0.000 0.502 208 L N 2.114 123.346 121.223 0.014 0.000 2.483 208 L HA 0.524 4.860 4.340 -0.007 0.000 0.276 208 L C -0.510 176.376 176.870 0.026 0.000 1.213 208 L CA 0.306 55.157 54.840 0.018 0.000 0.843 208 L CB 0.840 42.908 42.059 0.017 0.000 1.107 208 L HN 0.261 nan 8.230 nan 0.000 0.487 209 V N 6.081 126.013 119.914 0.030 0.000 2.610 209 V HA 0.354 4.470 4.120 -0.007 0.000 0.298 209 V C -0.470 175.650 176.094 0.044 0.000 1.067 209 V CA -0.460 61.866 62.300 0.044 0.000 0.894 209 V CB 1.610 33.458 31.823 0.041 0.000 1.015 209 V HN 0.533 nan 8.190 nan 0.000 0.432 210 I N 4.124 124.730 120.570 0.059 0.000 2.328 210 I HA 0.539 4.706 4.170 -0.007 0.000 0.287 210 I C -0.521 175.619 176.117 0.038 0.000 1.012 210 I CA -0.001 61.322 61.300 0.040 0.000 1.195 210 I CB 1.501 39.521 38.000 0.034 0.000 1.350 210 I HN 0.651 nan 8.210 nan 0.000 0.464 211 D N 4.984 125.389 120.400 0.009 0.000 2.523 211 D HA 0.440 5.076 4.640 -0.007 0.000 0.236 211 D C -0.569 175.700 176.300 -0.051 0.000 1.094 211 D CA -0.791 53.197 54.000 -0.020 0.000 0.942 211 D CB 1.935 42.750 40.800 0.026 0.000 1.447 211 D HN 0.393 nan 8.370 nan 0.000 0.479 212 R N 2.238 122.688 120.500 -0.082 0.000 2.494 212 R HA 0.410 4.746 4.340 -0.007 0.000 0.284 212 R C -2.542 173.737 176.300 -0.036 0.000 1.525 212 R CA -1.711 54.351 56.100 -0.064 0.000 1.460 212 R CB 0.871 31.119 30.300 -0.087 0.000 1.134 212 R HN 0.272 nan 8.270 nan 0.000 0.592 213 P HA -0.220 nan 4.420 nan 0.000 0.263 213 P C -0.063 177.243 177.300 0.010 0.000 1.162 213 P CA 0.241 63.344 63.100 0.005 0.000 0.758 213 P CB 0.506 32.207 31.700 0.003 0.000 0.773 214 V N 4.055 123.984 119.914 0.025 0.000 2.814 214 V HA 0.205 4.321 4.120 -0.007 0.000 0.307 214 V C 1.511 177.621 176.094 0.028 0.000 1.089 214 V CA 1.875 64.196 62.300 0.035 0.000 1.212 214 V CB -0.383 31.469 31.823 0.049 0.000 0.912 214 V HN 1.006 nan 8.190 nan 0.000 0.497 215 G N 3.575 112.395 108.800 0.033 0.000 2.179 215 G HA2 -0.228 3.728 3.960 -0.007 0.000 0.260 215 G HA3 -0.228 3.728 3.960 -0.007 0.000 0.260 215 G C 0.378 175.287 174.900 0.016 0.000 0.977 215 G CA 1.032 46.149 45.100 0.028 0.000 0.641 215 G HN 1.824 nan 8.290 nan 0.000 0.533 216 T N -3.040 111.519 114.554 0.008 0.000 2.888 216 T HA 0.645 4.991 4.350 -0.007 0.000 0.288 216 T C 0.061 174.751 174.700 -0.017 0.000 1.063 216 T CA 0.094 62.188 62.100 -0.010 0.000 1.010 216 T CB 2.032 70.888 68.868 -0.019 0.000 1.214 216 T HN 0.325 nan 8.240 nan 0.000 0.533 217 N N -0.146 118.525 118.700 -0.049 0.000 2.401 217 N HA 0.289 5.025 4.740 -0.007 0.000 0.264 217 N C -0.969 174.482 175.510 -0.098 0.000 1.238 217 N CA -0.349 52.657 53.050 -0.073 0.000 0.889 217 N CB 0.483 38.881 38.487 -0.148 0.000 1.196 217 N HN 0.665 nan 8.380 nan 0.000 0.511 218 T N 1.067 115.582 114.554 -0.065 0.000 2.771 218 T HA 0.362 4.708 4.350 -0.007 0.000 0.281 218 T C -0.059 174.615 174.700 -0.043 0.000 0.982 218 T CA -0.471 61.593 62.100 -0.060 0.000 0.978 218 T CB 1.036 69.875 68.868 -0.048 0.000 0.930 218 T HN 0.003 nan 8.240 nan 0.000 0.447 219 I N 3.558 124.104 120.570 -0.039 0.000 2.291 219 I HA 0.406 4.572 4.170 -0.007 0.000 0.292 219 I C 0.658 176.761 176.117 -0.023 0.000 1.064 219 I CA -0.635 60.647 61.300 -0.030 0.000 1.269 219 I CB 0.020 38.006 38.000 -0.023 0.000 1.418 219 I HN 0.669 nan 8.210 nan 0.000 0.485 220 A N 7.244 130.052 122.820 -0.019 0.000 2.312 220 A HA 0.788 5.104 4.320 -0.007 0.000 0.326 220 A C -0.463 177.120 177.584 -0.001 0.000 1.172 220 A CA -0.430 51.602 52.037 -0.009 0.000 0.821 220 A CB 1.208 20.204 19.000 -0.006 0.000 1.166 220 A HN 0.431 nan 8.150 nan 0.000 0.493 221 V N 1.825 121.740 119.914 0.002 0.000 2.638 221 V HA 0.754 4.870 4.120 -0.007 0.000 0.306 221 V C 0.109 176.209 176.094 0.009 0.000 1.052 221 V CA -0.147 62.158 62.300 0.008 0.000 0.885 221 V CB 1.645 33.472 31.823 0.006 0.000 0.999 221 V HN 1.228 nan 8.190 nan 0.000 0.424 222 T N 0.153 114.715 114.554 0.013 0.000 2.838 222 T HA 0.955 5.301 4.350 -0.007 0.000 0.292 222 T C 0.206 174.914 174.700 0.013 0.000 1.113 222 T CA -0.009 62.098 62.100 0.012 0.000 1.008 222 T CB 1.769 70.645 68.868 0.013 0.000 1.259 222 T HN 2.167 nan 8.240 nan 0.000 0.520 223 G N 0.843 109.649 108.800 0.011 0.000 2.568 223 G HA2 0.280 4.236 3.960 -0.007 0.000 0.222 223 G HA3 0.280 4.236 3.960 -0.007 0.000 0.222 223 G C -0.279 174.626 174.900 0.008 0.000 1.321 223 G CA 0.012 45.119 45.100 0.010 0.000 0.893 223 G HN 2.257 nan 8.290 nan 0.000 0.569 224 S N -1.502 114.203 115.700 0.008 0.000 2.556 224 S HA 0.729 5.195 4.470 -0.007 0.000 0.271 224 S C -1.164 173.440 174.600 0.007 0.000 1.135 224 S CA -0.420 57.784 58.200 0.007 0.000 0.858 224 S CB 2.319 65.522 63.200 0.006 0.000 1.114 224 S HN 1.868 nan 8.310 nan 0.000 0.468 225 L N 2.594 123.821 121.223 0.007 0.000 2.341 225 L HA 0.684 5.020 4.340 -0.007 0.000 0.278 225 L C -2.612 174.261 176.870 0.005 0.000 1.005 225 L CA -2.000 52.844 54.840 0.006 0.000 0.818 225 L CB 1.640 43.703 42.059 0.007 0.000 1.259 225 L HN 0.495 nan 8.230 nan 0.000 0.418 226 P HA 0.035 nan 4.420 nan 0.000 0.269 226 P C -0.017 177.286 177.300 0.004 0.000 1.209 226 P CA 0.005 63.107 63.100 0.004 0.000 0.776 226 P CB 0.893 32.596 31.700 0.004 0.000 0.876 227 A N 3.584 126.406 122.820 0.003 0.000 1.940 227 A HA -0.210 4.106 4.320 -0.007 0.000 0.219 227 A C 1.558 179.144 177.584 0.003 0.000 1.176 227 A CA 2.141 54.180 52.037 0.003 0.000 0.631 227 A CB -1.162 17.840 19.000 0.003 0.000 0.814 227 A HN 0.664 nan 8.150 nan 0.000 0.446 228 D N -0.210 120.192 120.400 0.003 0.000 2.340 228 D HA 0.325 4.961 4.640 -0.007 0.000 0.220 228 D C 0.686 176.988 176.300 0.003 0.000 1.039 228 D CA 0.553 54.555 54.000 0.003 0.000 0.866 228 D CB -0.503 40.299 40.800 0.003 0.000 0.913 228 D HN 0.385 nan 8.370 nan 0.000 0.523 229 A N 0.470 123.292 122.820 0.004 0.000 2.386 229 A HA 0.557 4.873 4.320 -0.007 0.000 0.248 229 A C 0.478 178.065 177.584 0.004 0.000 1.082 229 A CA -0.078 51.961 52.037 0.004 0.000 0.789 229 A CB 0.423 19.426 19.000 0.004 0.000 1.025 229 A HN 0.337 nan 8.150 nan 0.000 0.490 230 A N 2.648 125.471 122.820 0.004 0.000 2.354 230 A HA 0.609 4.925 4.320 -0.007 0.000 0.269 230 A C -2.285 175.302 177.584 0.005 0.000 1.109 230 A CA -1.427 50.612 52.037 0.005 0.000 0.800 230 A CB -0.582 18.420 19.000 0.004 0.000 1.045 230 A HN 0.652 nan 8.150 nan 0.000 0.489 231 P HA 0.156 nan 4.420 nan 0.000 0.260 231 P C -0.747 176.556 177.300 0.006 0.000 1.172 231 P CA 0.314 63.418 63.100 0.006 0.000 0.760 231 P CB 0.378 32.083 31.700 0.007 0.000 0.773 232 V N 3.608 123.526 119.914 0.006 0.000 2.547 232 V HA 0.567 4.683 4.120 -0.007 0.000 0.299 232 V C 0.620 176.717 176.094 0.004 0.000 1.040 232 V CA -0.263 62.040 62.300 0.006 0.000 0.913 232 V CB 1.750 33.578 31.823 0.008 0.000 0.992 232 V HN 0.693 nan 8.190 nan 0.000 0.449 233 T N 0.882 115.436 114.554 0.000 0.000 2.916 233 T HA 0.941 5.287 4.350 -0.007 0.000 0.292 233 T C -0.628 174.062 174.700 -0.016 0.000 1.064 233 T CA -0.522 61.574 62.100 -0.007 0.000 1.011 233 T CB 2.220 71.084 68.868 -0.007 0.000 1.152 233 T HN 1.526 nan 8.240 nan 0.000 0.510 234 A N 1.574 124.375 122.820 -0.033 0.000 2.573 234 A HA 0.580 4.896 4.320 -0.007 0.000 0.299 234 A C -1.042 176.497 177.584 -0.075 0.000 1.060 234 A CA -0.952 51.063 52.037 -0.037 0.000 0.736 234 A CB 0.803 19.807 19.000 0.007 0.000 1.280 234 A HN 0.956 nan 8.150 nan 0.000 0.401 235 L N 2.542 123.698 121.223 -0.111 0.000 2.397 235 L HA 0.568 4.904 4.340 -0.007 0.000 0.271 235 L C 0.322 177.136 176.870 -0.094 0.000 1.148 235 L CA -0.350 54.395 54.840 -0.159 0.000 0.825 235 L CB 0.472 42.399 42.059 -0.220 0.000 1.117 235 L HN 0.649 nan 8.230 nan 0.000 0.456 236 R N 0.814 121.253 120.500 -0.101 0.000 2.584 236 R HA 0.346 4.682 4.340 -0.007 0.000 0.276 236 R C -0.561 175.694 176.300 -0.074 0.000 1.046 236 R CA -0.676 55.360 56.100 -0.106 0.000 0.906 236 R CB 2.168 32.410 30.300 -0.097 0.000 1.215 236 R HN 0.753 nan 8.270 nan 0.000 0.449 237 T N -1.578 112.931 114.554 -0.075 0.000 2.828 237 T HA 0.518 4.864 4.350 -0.007 0.000 0.290 237 T C 0.645 175.354 174.700 0.015 0.000 1.019 237 T CA -0.601 61.491 62.100 -0.014 0.000 1.031 237 T CB 1.040 69.912 68.868 0.007 0.000 1.001 237 T HN 0.356 nan 8.240 nan 0.000 0.531 238 V N -1.250 118.703 119.914 0.064 0.000 2.823 238 V HA 0.609 4.725 4.120 -0.007 0.000 0.312 238 V C -0.545 175.634 176.094 0.141 0.000 1.072 238 V CA -1.309 61.063 62.300 0.121 0.000 0.937 238 V CB 1.637 33.576 31.823 0.193 0.000 1.013 238 V HN 0.958 nan 8.190 nan 0.000 0.430 239 D N 2.718 123.214 120.400 0.160 0.000 2.390 239 D HA 0.181 4.817 4.640 -0.007 0.000 0.249 239 D C 0.155 176.577 176.300 0.202 0.000 1.144 239 D CA 0.910 55.000 54.000 0.149 0.000 0.880 239 D CB 0.327 41.191 40.800 0.107 0.000 1.182 239 D HN 0.790 nan 8.370 nan 0.000 0.451 240 E N 2.660 122.951 120.200 0.152 0.000 2.937 240 E HA -0.147 4.199 4.350 -0.007 0.000 0.152 240 E C -1.937 174.714 176.600 0.084 0.000 1.769 240 E CA 0.050 56.529 56.400 0.132 0.000 0.688 240 E CB -0.740 29.054 29.700 0.157 0.000 1.091 240 E HN 0.496 nan 8.360 nan 0.000 0.362 241 P HA -0.255 nan 4.420 nan 0.000 0.216 241 P C 1.376 178.658 177.300 -0.029 0.000 1.154 241 P CA 2.479 65.592 63.100 0.022 0.000 0.865 241 P CB 0.149 31.883 31.700 0.056 0.000 0.789 242 A N 0.025 122.847 122.820 0.003 0.000 1.892 242 A HA -0.210 4.106 4.320 -0.007 0.000 0.218 242 A C 2.346 179.903 177.584 -0.045 0.000 1.188 242 A CA 2.445 54.478 52.037 -0.007 0.000 0.631 242 A CB -1.718 17.303 19.000 0.034 0.000 0.822 242 A HN 0.213 nan 8.150 nan 0.000 0.447 243 A N -1.034 121.758 122.820 -0.047 0.000 2.024 243 A HA -0.007 4.309 4.320 -0.007 0.000 0.220 243 A C 2.095 179.440 177.584 -0.397 0.000 1.164 243 A CA 1.757 53.745 52.037 -0.082 0.000 0.643 243 A CB -0.461 18.610 19.000 0.117 0.000 0.806 243 A HN 0.726 nan 8.150 nan 0.000 0.451 244 L N -0.819 120.063 121.223 -0.568 0.000 2.127 244 L HA 0.205 4.541 4.340 -0.007 0.000 0.203 244 L C 2.557 179.311 176.870 -0.194 0.000 1.080 244 L CA 1.912 56.373 54.840 -0.633 0.000 0.768 244 L CB -0.781 40.978 42.059 -0.501 0.000 0.924 244 L HN 0.258 nan 8.230 nan 0.000 0.444 245 A N -0.415 122.334 122.820 -0.119 0.000 2.019 245 A HA -0.034 4.282 4.320 -0.007 0.000 0.219 245 A C 2.248 179.832 177.584 -0.001 0.000 1.164 245 A CA 1.416 53.426 52.037 -0.046 0.000 0.644 245 A CB -1.434 17.532 19.000 -0.055 0.000 0.805 245 A HN 0.538 nan 8.150 nan 0.000 0.449 246 G N -1.283 107.509 108.800 -0.012 0.000 2.394 246 G HA2 -0.213 3.743 3.960 -0.007 0.000 0.215 246 G HA3 -0.213 3.743 3.960 -0.007 0.000 0.215 246 G C 1.474 176.419 174.900 0.075 0.000 1.165 246 G CA 1.243 46.371 45.100 0.047 0.000 0.784 246 G HN 0.737 nan 8.290 nan 0.000 0.535 247 H N 0.496 119.537 119.070 -0.048 0.000 2.321 247 H HA 0.098 4.650 4.556 -0.006 0.000 0.300 247 H C 2.474 177.810 175.328 0.014 0.000 1.087 247 H CA 1.424 57.467 56.048 -0.009 0.000 1.319 247 H CB -0.286 29.463 29.762 -0.021 0.000 1.379 247 H HN 0.255 nan 8.280 nan 0.000 0.501 248 L N -1.069 120.116 121.223 -0.064 0.000 2.046 248 L HA -0.148 4.188 4.340 -0.007 0.000 0.208 248 L C 2.186 179.037 176.870 -0.031 0.000 1.077 248 L CA 1.190 55.983 54.840 -0.080 0.000 0.747 248 L CB -0.484 41.589 42.059 0.024 0.000 0.896 248 L HN 0.278 nan 8.230 nan 0.000 0.432 249 F N 1.408 121.290 119.950 -0.114 0.000 2.216 249 F HA -0.237 4.286 4.527 -0.006 0.000 0.300 249 F C 2.484 178.224 175.800 -0.099 0.000 1.085 249 F CA 1.782 59.729 58.000 -0.089 0.000 1.326 249 F CB -0.157 38.807 39.000 -0.060 0.000 1.027 249 F HN 0.179 nan 8.300 nan 0.000 0.497 250 E N 0.471 120.608 120.200 -0.106 0.000 2.077 250 E HA -0.228 4.118 4.350 -0.007 0.000 0.193 250 E C 1.856 178.314 176.600 -0.237 0.000 0.989 250 E CA 2.097 58.389 56.400 -0.180 0.000 0.800 250 E CB -0.624 29.006 29.700 -0.117 0.000 0.746 250 E HN 0.566 nan 8.360 nan 0.000 0.452 251 E N 0.241 120.280 120.200 -0.268 0.000 2.106 251 E HA -0.126 4.220 4.350 -0.007 0.000 0.192 251 E C 2.127 178.611 176.600 -0.193 0.000 0.984 251 E CA 0.930 57.193 56.400 -0.229 0.000 0.806 251 E CB -0.233 29.316 29.700 -0.252 0.000 0.750 251 E HN 0.457 nan 8.360 nan 0.000 0.458 252 A N 1.318 124.007 122.820 -0.218 0.000 1.902 252 A HA -0.160 4.156 4.320 -0.007 0.000 0.217 252 A C 2.200 179.608 177.584 -0.294 0.000 1.181 252 A CA 1.046 52.951 52.037 -0.221 0.000 0.623 252 A CB -0.617 18.269 19.000 -0.190 0.000 0.818 252 A HN 0.113 nan 8.150 nan 0.000 0.443 253 L N -1.122 119.841 121.223 -0.434 0.000 1.994 253 L HA -0.189 4.147 4.340 -0.007 0.000 0.208 253 L C 2.599 179.343 176.870 -0.211 0.000 1.071 253 L CA 1.728 56.346 54.840 -0.369 0.000 0.745 253 L CB -0.561 41.258 42.059 -0.399 0.000 0.892 253 L HN 0.355 nan 8.230 nan 0.000 0.431 254 E N -0.319 119.771 120.200 -0.183 0.000 2.273 254 E HA -0.224 4.122 4.350 -0.007 0.000 0.198 254 E C 2.138 178.678 176.600 -0.100 0.000 1.002 254 E CA 1.102 57.429 56.400 -0.122 0.000 0.828 254 E CB -0.047 29.587 29.700 -0.110 0.000 0.747 254 E HN 0.229 nan 8.360 nan 0.000 0.491 255 S N -0.879 114.754 115.700 -0.113 0.000 2.575 255 S HA 0.119 4.585 4.470 -0.007 0.000 0.215 255 S C 0.673 175.227 174.600 -0.077 0.000 0.966 255 S CA -0.089 58.061 58.200 -0.083 0.000 0.911 255 S CB 0.002 63.154 63.200 -0.080 0.000 0.780 255 S HN 0.211 nan 8.310 nan 0.000 0.514 256 N N 0.651 119.295 118.700 -0.094 0.000 2.365 256 N HA 0.199 4.935 4.740 -0.007 0.000 0.257 256 N C 0.635 176.104 175.510 -0.069 0.000 1.287 256 N CA 0.515 53.518 53.050 -0.078 0.000 0.882 256 N CB 1.074 39.506 38.487 -0.092 0.000 1.250 256 N HN 0.446 nan 8.380 nan 0.000 0.507 257 G N 0.581 109.343 108.800 -0.064 0.000 2.153 257 G HA2 -0.263 3.693 3.960 -0.007 0.000 0.252 257 G HA3 -0.263 3.693 3.960 -0.007 0.000 0.252 257 G C -0.055 174.811 174.900 -0.056 0.000 0.994 257 G CA 0.312 45.381 45.100 -0.052 0.000 0.698 257 G HN 0.188 nan 8.290 nan 0.000 0.521 258 V N 1.312 121.180 119.914 -0.077 0.000 2.334 258 V HA 0.530 4.646 4.120 -0.007 0.000 0.281 258 V C 0.638 176.685 176.094 -0.078 0.000 1.016 258 V CA -0.302 61.952 62.300 -0.076 0.000 0.832 258 V CB 1.463 33.227 31.823 -0.099 0.000 0.999 258 V HN 0.281 nan 8.190 nan 0.000 0.439 259 T N 4.629 119.149 114.554 -0.055 0.000 2.832 259 T HA 0.438 4.784 4.350 -0.007 0.000 0.296 259 T C -0.004 174.668 174.700 -0.046 0.000 0.968 259 T CA -0.225 61.846 62.100 -0.049 0.000 1.107 259 T CB 1.340 70.188 68.868 -0.034 0.000 0.916 259 T HN 0.401 nan 8.240 nan 0.000 0.517 260 V N 5.389 125.273 119.914 -0.050 0.000 2.313 260 V HA 0.253 4.369 4.120 -0.007 0.000 0.278 260 V C 1.052 177.126 176.094 -0.032 0.000 1.017 260 V CA -0.771 61.503 62.300 -0.044 0.000 0.823 260 V CB 1.172 32.959 31.823 -0.059 0.000 1.010 260 V HN 0.782 nan 8.190 nan 0.000 0.443 261 K N 2.941 123.328 120.400 -0.022 0.000 2.076 261 K HA 0.107 4.423 4.320 -0.007 0.000 0.204 261 K C 1.292 177.881 176.600 -0.018 0.000 1.051 261 K CA 0.876 57.154 56.287 -0.016 0.000 0.949 261 K CB 0.131 32.627 32.500 -0.007 0.000 0.726 261 K HN 0.718 nan 8.250 nan 0.000 0.443 262 G N 1.744 110.530 108.800 -0.023 0.000 2.588 262 G HA2 0.095 4.051 3.960 -0.007 0.000 0.278 262 G HA3 0.095 4.051 3.960 -0.007 0.000 0.278 262 G C -0.391 174.471 174.900 -0.063 0.000 1.307 262 G CA -0.466 44.611 45.100 -0.038 0.000 1.016 262 G HN 0.033 nan 8.290 nan 0.000 0.503 263 D N -1.110 119.232 120.400 -0.096 0.000 2.294 263 D HA 0.333 4.970 4.640 -0.007 0.000 0.250 263 D C -0.139 176.058 176.300 -0.171 0.000 1.058 263 D CA -0.172 53.766 54.000 -0.104 0.000 0.950 263 D CB 2.008 42.753 40.800 -0.091 0.000 1.158 263 D HN 0.019 nan 8.370 nan 0.000 0.453 264 V N 0.737 120.590 119.914 -0.103 0.000 2.383 264 V HA 0.653 4.769 4.120 -0.007 0.000 0.275 264 V C 0.824 176.857 176.094 -0.103 0.000 1.036 264 V CA -0.160 62.082 62.300 -0.097 0.000 0.889 264 V CB 1.003 32.838 31.823 0.019 0.000 0.985 264 V HN 0.721 nan 8.190 nan 0.000 0.459 265 G N 3.659 112.345 108.800 -0.190 0.000 2.721 265 G HA2 0.636 4.593 3.960 -0.007 0.000 0.296 265 G HA3 0.636 4.593 3.960 -0.007 0.000 0.296 265 G C -1.470 173.450 174.900 0.032 0.000 1.383 265 G CA -1.015 44.031 45.100 -0.090 0.000 0.788 265 G HN 0.545 nan 8.290 nan 0.000 0.500 266 L N 0.864 122.162 121.223 0.125 0.000 2.281 266 L HA 0.652 4.988 4.340 -0.007 0.000 0.285 266 L C 0.729 177.784 176.870 0.308 0.000 1.074 266 L CA -0.045 54.904 54.840 0.183 0.000 0.817 266 L CB 0.905 43.048 42.059 0.140 0.000 1.168 266 L HN 0.816 nan 8.230 nan 0.000 0.434 267 G N 1.613 110.615 108.800 0.337 0.000 2.667 267 G HA2 0.553 4.509 3.960 -0.007 0.000 0.294 267 G HA3 0.553 4.509 3.960 -0.007 0.000 0.294 267 G C -1.264 173.823 174.900 0.312 0.000 1.467 267 G CA -0.405 44.886 45.100 0.318 0.000 0.852 267 G HN 0.699 nan 8.290 nan 0.000 0.521 268 G N -0.792 108.072 108.800 0.108 0.000 2.432 268 G HA2 0.599 4.555 3.960 -0.007 0.000 0.331 268 G HA3 0.599 4.555 3.960 -0.007 0.000 0.331 268 G C -0.087 174.458 174.900 -0.592 0.000 1.170 268 G CA -0.585 44.457 45.100 -0.097 0.000 0.943 268 G HN 1.032 nan 8.290 nan 0.000 0.483 269 V N 2.952 122.325 119.914 -0.902 0.000 2.509 269 V HA -0.003 4.113 4.120 -0.007 0.000 0.297 269 V C -0.781 174.725 176.094 -0.980 0.000 1.014 269 V CA -0.345 61.134 62.300 -1.368 0.000 1.127 269 V CB 1.108 32.430 31.823 -0.835 0.000 0.925 269 V HN 0.672 nan 8.190 nan 0.000 0.480 270 P HA -0.302 nan 4.420 nan 0.000 0.220 270 P C 1.034 178.032 177.300 -0.504 0.000 1.149 270 P CA 1.837 64.470 63.100 -0.778 0.000 0.829 270 P CB -0.044 31.062 31.700 -0.989 0.000 0.772 271 A N -1.733 120.791 122.820 -0.493 0.000 2.847 271 A HA -0.294 4.022 4.320 -0.007 0.000 0.263 271 A C 1.274 178.749 177.584 -0.182 0.000 1.391 271 A CA 1.625 53.505 52.037 -0.261 0.000 0.866 271 A CB -2.527 16.361 19.000 -0.187 0.000 1.057 271 A HN 0.403 nan 8.150 nan 0.000 0.673 272 D N -2.323 117.930 120.400 -0.245 0.000 2.454 272 D HA 0.196 4.832 4.640 -0.007 0.000 0.214 272 D C 0.326 176.762 176.300 0.226 0.000 1.088 272 D CA 0.566 54.547 54.000 -0.030 0.000 0.855 272 D CB 0.154 40.940 40.800 -0.023 0.000 1.025 272 D HN 0.508 nan 8.370 nan 0.000 0.502 273 W N 2.459 123.722 121.300 -0.061 0.000 2.101 273 W HA 0.405 5.061 4.660 -0.006 0.000 0.301 273 W C 0.483 176.973 176.519 -0.048 0.000 0.846 273 W CA -0.879 56.437 57.345 -0.047 0.000 1.823 273 W CB -0.810 28.619 29.460 -0.051 0.000 2.007 273 W HN 0.061 nan 8.180 nan 0.000 0.373 274 Q N 0.269 120.154 119.800 0.141 0.000 2.515 274 Q HA -0.167 4.169 4.340 -0.007 0.000 0.215 274 Q C -0.284 175.757 176.000 0.070 0.000 0.983 274 Q CA 1.242 57.086 55.803 0.070 0.000 0.905 274 Q CB 0.127 28.891 28.738 0.043 0.000 0.961 274 Q HN 0.323 nan 8.270 nan 0.000 0.503 275 D N -1.005 119.453 120.400 0.098 0.000 2.940 275 D HA 0.224 4.860 4.640 -0.007 0.000 0.366 275 D C -0.981 175.364 176.300 0.075 0.000 1.446 275 D CA -0.145 53.895 54.000 0.066 0.000 0.780 275 D CB 0.582 41.404 40.800 0.037 0.000 1.206 275 D HN 0.181 nan 8.370 nan 0.000 0.454 276 A N 0.600 123.506 122.820 0.142 0.000 2.547 276 A HA 0.200 4.516 4.320 -0.007 0.000 0.233 276 A C 0.560 178.189 177.584 0.075 0.000 1.067 276 A CA 0.180 52.306 52.037 0.149 0.000 0.763 276 A CB 0.300 19.510 19.000 0.350 0.000 1.007 276 A HN 0.243 nan 8.150 nan 0.000 0.506 277 E N 0.770 120.992 120.200 0.037 0.000 2.259 277 E HA 0.392 4.738 4.350 -0.007 0.000 0.281 277 E C -0.945 175.687 176.600 0.053 0.000 1.037 277 E CA -0.197 56.218 56.400 0.025 0.000 0.854 277 E CB 0.811 30.509 29.700 -0.004 0.000 1.051 277 E HN 0.295 nan 8.360 nan 0.000 0.409 278 V N 7.935 127.873 119.914 0.041 0.000 2.299 278 V HA 0.043 4.160 4.120 -0.007 0.000 0.255 278 V C 1.213 177.332 176.094 0.042 0.000 1.100 278 V CA 0.006 62.332 62.300 0.044 0.000 0.938 278 V CB 0.138 31.973 31.823 0.021 0.000 1.139 278 V HN 0.842 nan 8.190 nan 0.000 0.490 279 L N 3.271 124.530 121.223 0.061 0.000 2.131 279 L HA 0.094 4.430 4.340 -0.007 0.000 0.210 279 L C 1.083 177.991 176.870 0.063 0.000 1.092 279 L CA 1.480 56.356 54.840 0.061 0.000 0.759 279 L CB -0.183 41.926 42.059 0.083 0.000 0.903 279 L HN 0.737 nan 8.230 nan 0.000 0.435 280 A N -0.621 122.239 122.820 0.066 0.000 2.608 280 A HA 0.558 4.874 4.320 -0.007 0.000 0.292 280 A C -1.789 175.817 177.584 0.037 0.000 1.066 280 A CA -0.701 51.373 52.037 0.063 0.000 0.676 280 A CB 1.311 20.374 19.000 0.106 0.000 1.277 280 A HN 0.124 nan 8.150 nan 0.000 0.413 281 D N -0.034 120.386 120.400 0.034 0.000 2.602 281 D HA 0.582 5.218 4.640 -0.007 0.000 0.236 281 D C -1.359 174.978 176.300 0.061 0.000 1.209 281 D CA -0.223 53.785 54.000 0.015 0.000 0.831 281 D CB 1.823 42.610 40.800 -0.022 0.000 1.478 281 D HN 0.656 nan 8.370 nan 0.000 0.438 282 H N -0.860 118.171 119.070 -0.066 0.000 2.865 282 H HA 0.530 5.082 4.556 -0.007 0.000 0.362 282 H C -1.466 173.821 175.328 -0.069 0.000 1.114 282 H CA -0.103 55.911 56.048 -0.058 0.000 1.208 282 H CB 2.269 31.995 29.762 -0.059 0.000 1.727 282 H HN 0.307 nan 8.280 nan 0.000 0.534 283 T N 3.434 117.593 114.554 -0.658 0.000 2.824 283 T HA 0.396 4.742 4.350 -0.007 0.000 0.282 283 T C -0.223 174.177 174.700 -0.501 0.000 0.993 283 T CA -0.640 61.212 62.100 -0.413 0.000 0.967 283 T CB 1.085 69.792 68.868 -0.268 0.000 0.960 283 T HN 0.723 nan 8.240 nan 0.000 0.441 284 S N 2.259 117.838 115.700 -0.200 0.000 2.646 284 S HA 0.830 5.296 4.470 -0.007 0.000 0.273 284 S C 0.682 175.247 174.600 -0.059 0.000 1.168 284 S CA -0.800 57.352 58.200 -0.080 0.000 1.013 284 S CB 0.488 63.695 63.200 0.011 0.000 1.098 284 S HN 0.917 nan 8.310 nan 0.000 0.544 285 A N 0.078 122.884 122.820 -0.024 0.000 2.267 285 A HA 0.416 4.732 4.320 -0.007 0.000 0.271 285 A C 0.354 177.957 177.584 0.032 0.000 1.131 285 A CA -0.586 51.450 52.037 -0.001 0.000 0.818 285 A CB -0.362 18.646 19.000 0.014 0.000 1.118 285 A HN 0.852 nan 8.150 nan 0.000 0.501 286 E N -0.632 119.591 120.200 0.039 0.000 2.349 286 E HA 0.177 4.524 4.350 -0.007 0.000 0.265 286 E C 0.692 177.358 176.600 0.111 0.000 1.064 286 E CA -0.511 55.925 56.400 0.061 0.000 0.886 286 E CB 0.919 30.646 29.700 0.046 0.000 1.036 286 E HN 0.568 nan 8.360 nan 0.000 0.413 287 L N 2.942 124.260 121.223 0.159 0.000 2.081 287 L HA -0.294 4.042 4.340 -0.007 0.000 0.212 287 L C 2.268 179.221 176.870 0.139 0.000 1.080 287 L CA 2.384 57.333 54.840 0.182 0.000 0.754 287 L CB -0.540 41.634 42.059 0.192 0.000 0.893 287 L HN 0.677 nan 8.230 nan 0.000 0.433 288 S N -1.428 114.344 115.700 0.121 0.000 2.392 288 S HA -0.231 4.235 4.470 -0.007 0.000 0.232 288 S C 1.809 176.489 174.600 0.133 0.000 1.041 288 S CA 1.451 59.726 58.200 0.124 0.000 1.026 288 S CB -0.591 62.677 63.200 0.114 0.000 0.845 288 S HN 0.560 nan 8.310 nan 0.000 0.465 289 E N 1.495 121.769 120.200 0.124 0.000 2.042 289 E HA 0.206 4.552 4.350 -0.007 0.000 0.189 289 E C 2.185 178.884 176.600 0.166 0.000 0.974 289 E CA 0.703 57.184 56.400 0.136 0.000 0.806 289 E CB -0.539 29.227 29.700 0.109 0.000 0.769 289 E HN 0.591 nan 8.360 nan 0.000 0.451 290 I N 1.398 122.040 120.570 0.120 0.000 2.530 290 I HA -0.245 3.921 4.170 -0.007 0.000 0.257 290 I C 2.388 178.638 176.117 0.222 0.000 1.179 290 I CA 0.494 61.851 61.300 0.094 0.000 1.440 290 I CB -0.265 37.684 38.000 -0.084 0.000 1.087 290 I HN 0.043 nan 8.210 nan 0.000 0.440 291 L N 0.048 121.408 121.223 0.228 0.000 1.990 291 L HA -0.274 4.062 4.340 -0.007 0.000 0.213 291 L C 2.627 179.665 176.870 0.279 0.000 1.072 291 L CA 1.474 56.488 54.840 0.291 0.000 0.755 291 L CB -0.484 41.697 42.059 0.202 0.000 0.889 291 L HN 0.078 nan 8.230 nan 0.000 0.432 292 V N 0.359 120.410 119.914 0.229 0.000 2.215 292 V HA -0.233 3.883 4.120 -0.007 0.000 0.249 292 V C -0.715 175.503 176.094 0.206 0.000 1.054 292 V CA 2.454 64.869 62.300 0.192 0.000 1.012 292 V CB -2.026 29.950 31.823 0.254 0.000 0.639 292 V HN 0.418 nan 8.190 nan 0.000 0.448 293 P HA -0.112 nan 4.420 nan 0.000 0.251 293 P C 0.978 178.607 177.300 0.548 0.000 1.251 293 P CA 1.350 64.743 63.100 0.488 0.000 0.763 293 P CB -0.264 31.917 31.700 0.801 0.000 1.067 294 F N -0.057 120.050 119.950 0.262 0.000 2.479 294 F HA 0.121 4.644 4.527 -0.007 0.000 0.280 294 F C 2.009 177.859 175.800 0.083 0.000 0.982 294 F CA -0.022 58.137 58.000 0.265 0.000 1.276 294 F CB 0.034 39.222 39.000 0.313 0.000 1.137 294 F HN -0.333 nan 8.300 nan 0.000 0.660 295 M N 0.845 120.315 119.600 -0.218 0.000 2.492 295 M HA -0.027 4.449 4.480 -0.007 0.000 0.262 295 M C 1.510 177.613 176.300 -0.328 0.000 1.090 295 M CA 0.901 55.950 55.300 -0.417 0.000 1.110 295 M CB -0.809 31.555 32.600 -0.394 0.000 1.407 295 M HN 0.107 nan 8.290 nan 0.000 0.470 296 K N -0.089 120.091 120.400 -0.366 0.000 2.098 296 K HA 0.047 4.363 4.320 -0.007 0.000 0.203 296 K C 1.357 177.545 176.600 -0.687 0.000 1.051 296 K CA 1.175 57.081 56.287 -0.635 0.000 0.957 296 K CB -0.136 31.749 32.500 -1.025 0.000 0.738 296 K HN 0.297 nan 8.250 nan 0.000 0.447 297 F N 0.725 120.596 119.950 -0.132 0.000 2.678 297 F HA 0.258 4.781 4.527 -0.007 0.000 0.305 297 F C 0.245 176.004 175.800 -0.067 0.000 1.090 297 F CA -0.571 57.359 58.000 -0.116 0.000 1.272 297 F CB -0.018 38.889 39.000 -0.154 0.000 1.060 297 F HN -0.277 nan 8.300 nan 0.000 0.576 298 S N 1.562 117.285 115.700 0.038 0.000 3.527 298 S HA -0.307 4.159 4.470 -0.007 0.000 0.409 298 S C 0.128 174.818 174.600 0.150 0.000 0.900 298 S CA 0.076 58.294 58.200 0.029 0.000 1.320 298 S CB -1.610 61.595 63.200 0.008 0.000 0.915 298 S HN 0.596 nan 8.310 nan 0.000 0.575 299 N N 1.622 120.479 118.700 0.261 0.000 2.431 299 N HA 0.198 4.934 4.740 -0.007 0.000 0.265 299 N C 1.180 176.856 175.510 0.277 0.000 1.184 299 N CA -0.420 52.707 53.050 0.129 0.000 0.943 299 N CB 0.407 38.726 38.487 -0.280 0.000 1.080 299 N HN 0.305 nan 8.380 nan 0.000 0.477 300 N N 2.716 121.519 118.700 0.172 0.000 2.135 300 N HA -0.082 4.654 4.740 -0.007 0.000 0.186 300 N C 1.710 177.377 175.510 0.262 0.000 1.027 300 N CA 1.124 54.302 53.050 0.213 0.000 0.849 300 N CB -0.500 38.043 38.487 0.093 0.000 1.002 300 N HN 0.687 nan 8.380 nan 0.000 0.425 301 G N 0.329 109.246 108.800 0.196 0.000 2.432 301 G HA2 -0.228 3.728 3.960 -0.007 0.000 0.219 301 G HA3 -0.228 3.728 3.960 -0.007 0.000 0.219 301 G C 1.315 176.354 174.900 0.233 0.000 1.135 301 G CA 0.635 45.876 45.100 0.235 0.000 0.767 301 G HN 0.473 nan 8.290 nan 0.000 0.550 302 H N 0.339 119.414 119.070 0.008 0.000 2.299 302 H HA 0.005 4.557 4.556 -0.007 0.000 0.302 302 H C 3.065 178.183 175.328 -0.351 0.000 1.078 302 H CA 0.571 56.444 56.048 -0.291 0.000 1.323 302 H CB 0.094 29.497 29.762 -0.598 0.000 1.381 302 H HN 0.410 nan 8.280 nan 0.000 0.498 303 A N 1.530 124.374 122.820 0.039 0.000 1.884 303 A HA -0.251 4.065 4.320 -0.007 0.000 0.219 303 A C 2.179 179.909 177.584 0.244 0.000 1.197 303 A CA 2.064 54.275 52.037 0.290 0.000 0.637 303 A CB -0.325 19.011 19.000 0.560 0.000 0.827 303 A HN 0.405 nan 8.150 nan 0.000 0.450 304 E N -0.441 119.947 120.200 0.312 0.000 2.106 304 E HA -0.151 4.195 4.350 -0.007 0.000 0.192 304 E C 2.074 178.681 176.600 0.011 0.000 0.984 304 E CA 1.245 57.842 56.400 0.328 0.000 0.806 304 E CB -0.541 29.501 29.700 0.569 0.000 0.750 304 E HN 0.754 nan 8.360 nan 0.000 0.458 305 M N 0.275 119.899 119.600 0.040 0.000 2.159 305 M HA -0.107 4.369 4.480 -0.007 0.000 0.263 305 M C 2.374 178.717 176.300 0.072 0.000 1.063 305 M CA 1.147 56.493 55.300 0.076 0.000 1.110 305 M CB -0.255 32.413 32.600 0.112 0.000 1.374 305 M HN 0.060 nan 8.290 nan 0.000 0.411 306 L N -0.795 120.432 121.223 0.006 0.000 2.017 306 L HA -0.196 4.140 4.340 -0.007 0.000 0.208 306 L C 2.459 179.361 176.870 0.054 0.000 1.073 306 L CA 1.021 55.894 54.840 0.054 0.000 0.745 306 L CB -0.842 41.228 42.059 0.018 0.000 0.894 306 L HN 0.134 nan 8.230 nan 0.000 0.432 307 V N 0.309 120.244 119.914 0.035 0.000 2.219 307 V HA -0.369 3.747 4.120 -0.007 0.000 0.248 307 V C 2.541 178.550 176.094 -0.142 0.000 1.053 307 V CA 2.066 64.374 62.300 0.015 0.000 1.009 307 V CB -0.579 31.317 31.823 0.121 0.000 0.636 307 V HN 0.433 nan 8.190 nan 0.000 0.445 308 K N -0.246 119.903 120.400 -0.418 0.000 2.074 308 K HA -0.184 4.133 4.320 -0.007 0.000 0.209 308 K C 2.416 178.795 176.600 -0.368 0.000 1.048 308 K CA 1.753 57.600 56.287 -0.734 0.000 0.926 308 K CB -0.391 31.081 32.500 -1.713 0.000 0.713 308 K HN 0.358 nan 8.250 nan 0.000 0.444 309 S N 1.171 116.884 115.700 0.022 0.000 2.383 309 S HA -0.108 4.358 4.470 -0.007 0.000 0.229 309 S C 1.871 176.535 174.600 0.107 0.000 1.030 309 S CA 1.070 59.489 58.200 0.363 0.000 1.002 309 S CB -0.202 63.304 63.200 0.510 0.000 0.829 309 S HN 0.229 nan 8.310 nan 0.000 0.467 310 I N 0.875 121.455 120.570 0.018 0.000 2.394 310 I HA -0.089 4.077 4.170 -0.007 0.000 0.251 310 I C 2.527 178.616 176.117 -0.046 0.000 1.136 310 I CA 0.993 62.285 61.300 -0.013 0.000 1.425 310 I CB -0.632 37.370 38.000 0.003 0.000 1.079 310 I HN 0.341 nan 8.210 nan 0.000 0.425 311 G N -0.260 108.480 108.800 -0.100 0.000 2.484 311 G HA2 -0.168 3.788 3.960 -0.007 0.000 0.218 311 G HA3 -0.168 3.788 3.960 -0.007 0.000 0.218 311 G C 1.631 176.432 174.900 -0.165 0.000 1.130 311 G CA 0.177 45.196 45.100 -0.135 0.000 0.784 311 G HN 0.252 nan 8.290 nan 0.000 0.543 312 Q N -0.239 119.445 119.800 -0.194 0.000 2.250 312 Q HA 0.047 4.383 4.340 -0.007 0.000 0.200 312 Q C 2.285 178.205 176.000 -0.132 0.000 0.941 312 Q CA 0.852 56.460 55.803 -0.325 0.000 0.872 312 Q CB 0.220 28.535 28.738 -0.706 0.000 0.965 312 Q HN 0.536 nan 8.270 nan 0.000 0.480 313 E N 0.292 120.474 120.200 -0.030 0.000 2.005 313 E HA -0.111 4.235 4.350 -0.007 0.000 0.191 313 E C 1.844 178.445 176.600 0.003 0.000 0.987 313 E CA 2.278 58.693 56.400 0.025 0.000 0.814 313 E CB -0.308 29.402 29.700 0.017 0.000 0.772 313 E HN 0.330 nan 8.360 nan 0.000 0.453 314 T N -2.192 112.355 114.554 -0.011 0.000 2.977 314 T HA 0.017 4.363 4.350 -0.007 0.000 0.271 314 T C 1.157 175.846 174.700 -0.019 0.000 1.105 314 T CA 1.213 63.307 62.100 -0.009 0.000 1.116 314 T CB -0.010 68.854 68.868 -0.008 0.000 0.878 314 T HN 0.229 nan 8.240 nan 0.000 0.509 315 A N -0.510 122.286 122.820 -0.040 0.000 2.574 315 A HA 0.653 4.969 4.320 -0.007 0.000 0.246 315 A C 1.285 178.827 177.584 -0.069 0.000 1.025 315 A CA 0.266 52.276 52.037 -0.046 0.000 1.043 315 A CB -0.371 18.602 19.000 -0.045 0.000 1.177 315 A HN 1.348 nan 8.150 nan 0.000 0.526 316 G N -0.204 108.540 108.800 -0.094 0.000 2.338 316 G HA2 0.224 4.180 3.960 -0.007 0.000 0.296 316 G HA3 0.224 4.180 3.960 -0.007 0.000 0.296 316 G C 0.268 175.059 174.900 -0.181 0.000 1.040 316 G CA 0.578 45.596 45.100 -0.137 0.000 1.004 316 G HN 2.107 nan 8.290 nan 0.000 0.509 317 A N -0.351 122.337 122.820 -0.220 0.000 2.599 317 A HA 0.763 5.079 4.320 -0.007 0.000 0.281 317 A C 0.485 177.906 177.584 -0.270 0.000 1.137 317 A CA 0.473 52.384 52.037 -0.209 0.000 0.767 317 A CB 0.927 19.845 19.000 -0.137 0.000 1.266 317 A HN 1.798 nan 8.150 nan 0.000 0.420 318 G N 2.063 110.678 108.800 -0.307 0.000 2.778 318 G HA2 0.472 4.428 3.960 -0.007 0.000 0.287 318 G HA3 0.472 4.428 3.960 -0.007 0.000 0.287 318 G C -0.067 174.562 174.900 -0.451 0.000 0.747 318 G CA 0.497 45.379 45.100 -0.363 0.000 1.961 318 G HN 0.649 nan 8.290 nan 0.000 0.539 319 T N 0.739 115.034 114.554 -0.431 0.000 2.894 319 T HA 0.217 4.563 4.350 -0.007 0.000 0.309 319 T C 0.331 174.862 174.700 -0.281 0.000 1.208 319 T CA -0.705 61.188 62.100 -0.346 0.000 1.016 319 T CB 1.517 70.289 68.868 -0.161 0.000 1.192 319 T HN 0.386 nan 8.240 nan 0.000 0.491 320 W N 1.355 122.533 121.300 -0.203 0.000 2.354 320 W HA -0.093 4.564 4.660 -0.005 0.000 0.315 320 W C 1.672 178.120 176.519 -0.119 0.000 1.206 320 W CA 1.290 58.535 57.345 -0.165 0.000 1.290 320 W CB -0.510 28.850 29.460 -0.167 0.000 1.152 320 W HN 0.769 nan 8.180 nan 0.000 0.489 321 D N -0.105 120.379 120.400 0.140 0.000 2.133 321 D HA -0.181 4.455 4.640 -0.007 0.000 0.192 321 D C 2.183 178.495 176.300 0.020 0.000 1.001 321 D CA 2.298 56.331 54.000 0.055 0.000 0.844 321 D CB -0.805 40.010 40.800 0.026 0.000 0.944 321 D HN 0.047 nan 8.370 nan 0.000 0.447 322 A N 0.521 123.332 122.820 -0.015 0.000 1.929 322 A HA 0.057 4.373 4.320 -0.007 0.000 0.216 322 A C 2.363 179.928 177.584 -0.031 0.000 1.176 322 A CA 1.946 53.961 52.037 -0.036 0.000 0.628 322 A CB -0.941 18.015 19.000 -0.074 0.000 0.816 322 A HN 0.301 nan 8.150 nan 0.000 0.444 323 G N 0.041 108.816 108.800 -0.042 0.000 2.433 323 G HA2 -0.146 3.810 3.960 -0.007 0.000 0.216 323 G HA3 -0.146 3.810 3.960 -0.007 0.000 0.216 323 G C 1.378 176.300 174.900 0.037 0.000 1.186 323 G CA 1.068 46.152 45.100 -0.025 0.000 0.779 323 G HN 0.311 nan 8.290 nan 0.000 0.543 324 L N 0.738 122.004 121.223 0.073 0.000 2.079 324 L HA -0.071 4.265 4.340 -0.007 0.000 0.210 324 L C 3.191 180.086 176.870 0.043 0.000 1.081 324 L CA 0.982 55.865 54.840 0.071 0.000 0.752 324 L CB -1.311 40.786 42.059 0.064 0.000 0.896 324 L HN 0.115 nan 8.230 nan 0.000 0.433 325 V N 0.179 120.109 119.914 0.027 0.000 2.343 325 V HA -0.213 3.903 4.120 -0.007 0.000 0.247 325 V C 2.673 178.782 176.094 0.024 0.000 1.051 325 V CA 1.800 64.111 62.300 0.019 0.000 1.036 325 V CB -1.242 30.585 31.823 0.008 0.000 0.654 325 V HN 0.546 nan 8.190 nan 0.000 0.451 326 G N -0.203 108.610 108.800 0.023 0.000 2.421 326 G HA2 -0.209 3.747 3.960 -0.007 0.000 0.216 326 G HA3 -0.209 3.747 3.960 -0.007 0.000 0.216 326 G C 1.681 176.610 174.900 0.049 0.000 1.171 326 G CA 1.243 46.359 45.100 0.028 0.000 0.775 326 G HN 0.368 nan 8.290 nan 0.000 0.543 327 V N 0.798 120.750 119.914 0.063 0.000 2.255 327 V HA -0.203 3.913 4.120 -0.007 0.000 0.247 327 V C 2.737 178.888 176.094 0.094 0.000 1.051 327 V CA 2.216 64.573 62.300 0.094 0.000 1.018 327 V CB -0.417 31.477 31.823 0.118 0.000 0.641 327 V HN 0.405 nan 8.190 nan 0.000 0.445 328 E N 0.496 120.736 120.200 0.068 0.000 2.048 328 E HA -0.287 4.059 4.350 -0.007 0.000 0.202 328 E C 2.204 178.840 176.600 0.061 0.000 1.021 328 E CA 2.296 58.729 56.400 0.055 0.000 0.825 328 E CB -0.206 29.510 29.700 0.028 0.000 0.756 328 E HN 0.744 nan 8.360 nan 0.000 0.454 329 E N -0.154 120.076 120.200 0.050 0.000 2.106 329 E HA -0.120 4.226 4.350 -0.007 0.000 0.192 329 E C 2.059 178.694 176.600 0.059 0.000 0.984 329 E CA 0.819 57.247 56.400 0.047 0.000 0.806 329 E CB -0.163 29.557 29.700 0.035 0.000 0.750 329 E HN 0.325 nan 8.360 nan 0.000 0.458 330 A N 1.262 124.123 122.820 0.069 0.000 1.972 330 A HA -0.143 4.173 4.320 -0.007 0.000 0.219 330 A C 2.146 179.791 177.584 0.101 0.000 1.169 330 A CA 1.004 53.091 52.037 0.083 0.000 0.635 330 A CB -0.510 18.543 19.000 0.087 0.000 0.810 330 A HN 0.138 nan 8.150 nan 0.000 0.446 331 L N -0.535 120.756 121.223 0.115 0.000 2.313 331 L HA -0.072 4.264 4.340 -0.007 0.000 0.214 331 L C 2.534 179.465 176.870 0.100 0.000 1.119 331 L CA 0.975 55.896 54.840 0.136 0.000 0.809 331 L CB -0.116 42.067 42.059 0.206 0.000 0.933 331 L HN 0.323 nan 8.230 nan 0.000 0.449 332 S N -0.155 115.592 115.700 0.078 0.000 2.388 332 S HA -0.025 4.441 4.470 -0.007 0.000 0.223 332 S C 2.004 176.630 174.600 0.043 0.000 1.034 332 S CA 0.943 59.177 58.200 0.056 0.000 0.963 332 S CB -0.343 62.884 63.200 0.045 0.000 0.827 332 S HN 0.525 nan 8.310 nan 0.000 0.481 333 G N 1.134 109.961 108.800 0.045 0.000 2.509 333 G HA2 -0.075 3.881 3.960 -0.007 0.000 0.218 333 G HA3 -0.075 3.881 3.960 -0.007 0.000 0.218 333 G C 1.180 176.097 174.900 0.027 0.000 1.124 333 G CA 0.305 45.425 45.100 0.034 0.000 0.776 333 G HN 0.382 nan 8.290 nan 0.000 0.547 334 L N 0.244 121.490 121.223 0.038 0.000 2.558 334 L HA 0.366 4.702 4.340 -0.007 0.000 0.225 334 L C 1.879 178.745 176.870 -0.006 0.000 1.128 334 L CA 1.173 56.021 54.840 0.014 0.000 0.868 334 L CB 0.018 42.105 42.059 0.046 0.000 1.006 334 L HN 0.343 nan 8.230 nan 0.000 0.454 335 G N -1.004 107.804 108.800 0.013 0.000 2.141 335 G HA2 -0.196 3.760 3.960 -0.007 0.000 0.231 335 G HA3 -0.196 3.760 3.960 -0.007 0.000 0.231 335 G C 0.064 174.980 174.900 0.025 0.000 0.984 335 G CA 0.086 45.192 45.100 0.010 0.000 0.660 335 G HN 0.159 nan 8.290 nan 0.000 0.525 336 V N 1.474 121.416 119.914 0.047 0.000 2.406 336 V HA 0.404 4.520 4.120 -0.007 0.000 0.272 336 V C 0.452 176.593 176.094 0.077 0.000 1.043 336 V CA -0.735 61.610 62.300 0.074 0.000 0.915 336 V CB 1.695 33.591 31.823 0.121 0.000 0.988 336 V HN 0.360 nan 8.190 nan 0.000 0.466 337 D N 4.229 124.669 120.400 0.067 0.000 2.363 337 D HA -0.006 4.630 4.640 -0.007 0.000 0.263 337 D C 1.178 177.519 176.300 0.067 0.000 1.258 337 D CA 0.153 54.186 54.000 0.055 0.000 0.907 337 D CB 1.297 42.123 40.800 0.045 0.000 1.107 337 D HN 0.755 nan 8.370 nan 0.000 0.495 338 T N 1.104 115.690 114.554 0.054 0.000 3.244 338 T HA 0.388 4.734 4.350 -0.007 0.000 0.254 338 T C 1.511 176.216 174.700 0.008 0.000 1.024 338 T CA 0.107 62.230 62.100 0.038 0.000 0.920 338 T CB 0.350 69.239 68.868 0.035 0.000 1.042 338 T HN 0.249 nan 8.240 nan 0.000 0.572 339 A N 1.855 124.683 122.820 0.014 0.000 1.877 339 A HA 0.229 4.545 4.320 -0.007 0.000 0.216 339 A C 2.483 180.062 177.584 -0.007 0.000 1.186 339 A CA 1.408 53.447 52.037 0.004 0.000 0.620 339 A CB -1.394 17.612 19.000 0.010 0.000 0.822 339 A HN 0.644 nan 8.150 nan 0.000 0.443 340 G N -1.111 107.686 108.800 -0.005 0.000 2.848 340 G HA2 0.298 4.254 3.960 -0.007 0.000 0.208 340 G HA3 0.298 4.254 3.960 -0.007 0.000 0.208 340 G C 0.542 175.414 174.900 -0.046 0.000 1.152 340 G CA -0.182 44.909 45.100 -0.014 0.000 0.789 340 G HN 0.386 nan 8.290 nan 0.000 0.531 341 L N 0.508 121.688 121.223 -0.071 0.000 2.418 341 L HA 0.478 4.814 4.340 -0.007 0.000 0.265 341 L C -0.480 176.325 176.870 -0.108 0.000 1.143 341 L CA -0.517 54.237 54.840 -0.143 0.000 0.809 341 L CB 1.996 43.929 42.059 -0.209 0.000 1.124 341 L HN -0.178 nan 8.230 nan 0.000 0.456 342 V N 4.341 124.179 119.914 -0.126 0.000 2.568 342 V HA 0.231 4.347 4.120 -0.007 0.000 0.276 342 V C -0.286 175.753 176.094 -0.092 0.000 1.002 342 V CA -0.374 61.876 62.300 -0.084 0.000 0.879 342 V CB 1.490 33.278 31.823 -0.058 0.000 1.040 342 V HN 0.484 nan 8.190 nan 0.000 0.457 343 L N 3.603 124.776 121.223 -0.083 0.000 2.283 343 L HA 0.461 4.797 4.340 -0.007 0.000 0.287 343 L C 0.971 177.812 176.870 -0.049 0.000 1.073 343 L CA -0.005 54.796 54.840 -0.064 0.000 0.822 343 L CB 0.720 42.755 42.059 -0.040 0.000 1.186 343 L HN 0.557 nan 8.230 nan 0.000 0.436 344 N N 1.073 119.740 118.700 -0.055 0.000 2.210 344 N HA 0.022 4.758 4.740 -0.007 0.000 0.203 344 N C -0.714 174.694 175.510 -0.170 0.000 1.175 344 N CA 0.038 53.028 53.050 -0.100 0.000 0.894 344 N CB 0.694 39.129 38.487 -0.086 0.000 1.041 344 N HN 0.817 nan 8.380 nan 0.000 0.506 345 D N -3.572 116.788 120.400 -0.067 0.000 2.738 345 D HA 0.252 4.888 4.640 -0.007 0.000 0.308 345 D C 0.569 176.958 176.300 0.147 0.000 1.311 345 D CA -0.503 53.473 54.000 -0.040 0.000 0.799 345 D CB 0.347 41.144 40.800 -0.007 0.000 1.332 345 D HN -0.110 nan 8.370 nan 0.000 0.441 346 G N -0.953 108.016 108.800 0.280 0.000 2.656 346 G HA2 0.033 3.989 3.960 -0.007 0.000 0.211 346 G HA3 0.033 3.989 3.960 -0.007 0.000 0.211 346 G C 1.190 176.285 174.900 0.324 0.000 1.137 346 G CA 0.877 46.163 45.100 0.309 0.000 0.802 346 G HN 0.632 nan 8.290 nan 0.000 0.527 347 S N -0.410 115.500 115.700 0.350 0.000 2.395 347 S HA 0.332 4.798 4.470 -0.007 0.000 0.225 347 S C 1.964 176.673 174.600 0.181 0.000 1.027 347 S CA 1.451 59.828 58.200 0.295 0.000 0.965 347 S CB -0.146 63.229 63.200 0.291 0.000 0.812 347 S HN 1.472 nan 8.310 nan 0.000 0.482 348 G N 0.630 109.528 108.800 0.163 0.000 2.184 348 G HA2 -0.183 3.773 3.960 -0.007 0.000 0.206 348 G HA3 -0.183 3.773 3.960 -0.007 0.000 0.206 348 G C 0.616 175.531 174.900 0.026 0.000 0.995 348 G CA 0.206 45.358 45.100 0.088 0.000 0.651 348 G HN 0.450 nan 8.290 nan 0.000 0.511 349 L N 1.054 122.279 121.223 0.004 0.000 2.191 349 L HA 0.105 4.441 4.340 -0.007 0.000 0.212 349 L C 1.975 178.787 176.870 -0.096 0.000 1.103 349 L CA 1.327 56.040 54.840 -0.212 0.000 0.769 349 L CB -0.206 41.436 42.059 -0.695 0.000 0.908 349 L HN 0.380 nan 8.230 nan 0.000 0.438 350 S N -0.319 115.493 115.700 0.186 0.000 2.548 350 S HA 0.121 4.587 4.470 -0.007 0.000 0.277 350 S C 1.146 175.791 174.600 0.074 0.000 1.315 350 S CA -0.474 57.855 58.200 0.215 0.000 1.050 350 S CB 0.766 64.083 63.200 0.195 0.000 0.918 350 S HN 0.187 nan 8.310 nan 0.000 0.497 351 R N 3.077 123.623 120.500 0.077 0.000 2.313 351 R HA 0.074 4.410 4.340 -0.007 0.000 0.199 351 R C 1.831 178.163 176.300 0.053 0.000 0.958 351 R CA 0.542 56.674 56.100 0.054 0.000 1.047 351 R CB -0.183 30.178 30.300 0.101 0.000 0.955 351 R HN 0.749 nan 8.270 nan 0.000 0.481 352 G N 0.313 109.143 108.800 0.049 0.000 2.880 352 G HA2 -0.063 3.893 3.960 -0.007 0.000 0.209 352 G HA3 -0.063 3.893 3.960 -0.007 0.000 0.209 352 G C 0.348 175.246 174.900 -0.004 0.000 1.157 352 G CA -0.251 44.860 45.100 0.018 0.000 0.779 352 G HN 0.152 nan 8.290 nan 0.000 0.539 353 N N 0.320 119.020 118.700 -0.000 0.000 2.513 353 N HA 0.550 5.286 4.740 -0.007 0.000 0.274 353 N C -0.711 174.782 175.510 -0.029 0.000 1.189 353 N CA 0.173 53.210 53.050 -0.022 0.000 0.975 353 N CB 1.841 40.323 38.487 -0.009 0.000 1.157 353 N HN 0.006 nan 8.380 nan 0.000 0.465 354 L N 0.510 121.697 121.223 -0.059 0.000 2.513 354 L HA 0.516 4.852 4.340 -0.007 0.000 0.261 354 L C -0.602 176.209 176.870 -0.098 0.000 0.945 354 L CA -0.865 53.942 54.840 -0.054 0.000 0.848 354 L CB 2.131 44.166 42.059 -0.039 0.000 1.334 354 L HN 0.308 nan 8.230 nan 0.000 0.407 355 V N -1.230 118.647 119.914 -0.060 0.000 3.202 355 V HA 0.911 5.027 4.120 -0.007 0.000 0.306 355 V C -0.594 175.506 176.094 0.011 0.000 1.283 355 V CA -0.622 61.643 62.300 -0.059 0.000 1.065 355 V CB 2.090 33.907 31.823 -0.011 0.000 1.079 355 V HN 0.806 nan 8.190 nan 0.000 0.448 356 T N -2.101 112.482 114.554 0.048 0.000 2.876 356 T HA 0.765 5.111 4.350 -0.007 0.000 0.289 356 T C 0.959 175.712 174.700 0.088 0.000 1.014 356 T CA 0.028 62.163 62.100 0.057 0.000 0.986 356 T CB 1.705 70.600 68.868 0.046 0.000 1.021 356 T HN 1.869 nan 8.240 nan 0.000 0.458 357 A N 1.914 124.780 122.820 0.077 0.000 1.958 357 A HA -0.143 4.173 4.320 -0.007 0.000 0.221 357 A C 1.917 179.551 177.584 0.084 0.000 1.178 357 A CA 2.041 54.127 52.037 0.082 0.000 0.642 357 A CB -0.959 18.090 19.000 0.082 0.000 0.816 357 A HN 0.916 nan 8.150 nan 0.000 0.453 358 D N -0.734 119.713 120.400 0.078 0.000 2.117 358 D HA -0.088 4.548 4.640 -0.007 0.000 0.197 358 D C 2.003 178.361 176.300 0.096 0.000 0.987 358 D CA 1.841 55.886 54.000 0.075 0.000 0.829 358 D CB -0.665 40.171 40.800 0.060 0.000 0.961 358 D HN 0.438 nan 8.370 nan 0.000 0.460 359 T N 0.790 115.420 114.554 0.127 0.000 2.788 359 T HA -0.077 4.269 4.350 -0.007 0.000 0.268 359 T C 2.294 177.157 174.700 0.271 0.000 1.044 359 T CA 0.647 62.866 62.100 0.200 0.000 1.139 359 T CB -0.212 68.780 68.868 0.207 0.000 0.867 359 T HN -0.015 nan 8.240 nan 0.000 0.454 360 V N 1.143 121.202 119.914 0.241 0.000 2.261 360 V HA -0.141 3.975 4.120 -0.007 0.000 0.246 360 V C 2.670 178.752 176.094 -0.019 0.000 1.047 360 V CA 1.261 63.632 62.300 0.118 0.000 1.015 360 V CB -0.880 30.994 31.823 0.085 0.000 0.642 360 V HN 0.291 nan 8.190 nan 0.000 0.446 361 V N 0.444 120.364 119.914 0.009 0.000 2.255 361 V HA -0.317 3.799 4.120 -0.007 0.000 0.247 361 V C 2.476 178.581 176.094 0.017 0.000 1.051 361 V CA 2.450 64.747 62.300 -0.005 0.000 1.018 361 V CB -0.735 31.109 31.823 0.035 0.000 0.641 361 V HN 0.618 nan 8.190 nan 0.000 0.445 362 D N -0.030 120.396 120.400 0.044 0.000 2.127 362 D HA -0.220 4.416 4.640 -0.007 0.000 0.190 362 D C 2.029 178.342 176.300 0.022 0.000 1.000 362 D CA 1.903 55.932 54.000 0.048 0.000 0.839 362 D CB -0.330 40.515 40.800 0.075 0.000 0.955 362 D HN 0.295 nan 8.370 nan 0.000 0.446 363 L N 0.476 121.694 121.223 -0.008 0.000 2.079 363 L HA -0.128 4.208 4.340 -0.007 0.000 0.210 363 L C 2.391 179.232 176.870 -0.049 0.000 1.081 363 L CA 1.432 56.216 54.840 -0.093 0.000 0.752 363 L CB -0.732 41.109 42.059 -0.363 0.000 0.896 363 L HN 0.167 nan 8.230 nan 0.000 0.433 364 L N -0.833 120.386 121.223 -0.006 0.000 2.017 364 L HA -0.144 4.192 4.340 -0.007 0.000 0.208 364 L C 2.521 179.549 176.870 0.263 0.000 1.073 364 L CA 1.407 56.316 54.840 0.116 0.000 0.745 364 L CB -1.456 40.528 42.059 -0.124 0.000 0.894 364 L HN 0.467 nan 8.230 nan 0.000 0.432 365 G N -0.966 107.922 108.800 0.148 0.000 2.511 365 G HA2 -0.273 3.683 3.960 -0.007 0.000 0.216 365 G HA3 -0.273 3.683 3.960 -0.007 0.000 0.216 365 G C 1.394 176.308 174.900 0.024 0.000 1.218 365 G CA 0.359 45.530 45.100 0.119 0.000 0.788 365 G HN 0.274 nan 8.290 nan 0.000 0.560 366 Q N 0.638 120.420 119.800 -0.031 0.000 2.133 366 Q HA -0.194 4.142 4.340 -0.007 0.000 0.208 366 Q C 2.890 178.741 176.000 -0.248 0.000 0.991 366 Q CA 1.770 57.505 55.803 -0.113 0.000 0.867 366 Q CB -0.969 27.716 28.738 -0.088 0.000 0.911 366 Q HN 0.483 nan 8.270 nan 0.000 0.417 367 A N 0.557 123.208 122.820 -0.282 0.000 2.015 367 A HA -0.008 4.308 4.320 -0.007 0.000 0.219 367 A C 2.310 179.577 177.584 -0.528 0.000 1.163 367 A CA 1.465 53.135 52.037 -0.610 0.000 0.646 367 A CB -0.792 17.593 19.000 -1.025 0.000 0.806 367 A HN 0.456 nan 8.150 nan 0.000 0.448 368 G N -0.238 108.460 108.800 -0.170 0.000 2.471 368 G HA2 -0.065 3.891 3.960 -0.007 0.000 0.219 368 G HA3 -0.065 3.891 3.960 -0.007 0.000 0.219 368 G C 1.652 176.433 174.900 -0.200 0.000 1.125 368 G CA 1.433 46.461 45.100 -0.121 0.000 0.775 368 G HN 0.827 nan 8.290 nan 0.000 0.548 369 S N -0.464 115.081 115.700 -0.259 0.000 2.524 369 S HA 0.602 5.068 4.470 -0.007 0.000 0.215 369 S C 1.224 175.600 174.600 -0.372 0.000 0.986 369 S CA 0.390 58.440 58.200 -0.249 0.000 0.911 369 S CB 0.310 63.402 63.200 -0.180 0.000 0.805 369 S HN 0.496 nan 8.310 nan 0.000 0.501 370 A N 3.530 125.963 122.820 -0.645 0.000 2.462 370 A HA 0.468 4.784 4.320 -0.007 0.000 0.243 370 A C -0.786 176.361 177.584 -0.728 0.000 1.076 370 A CA -1.396 50.072 52.037 -0.948 0.000 0.773 370 A CB -0.009 17.749 19.000 -2.070 0.000 1.010 370 A HN 0.292 nan 8.150 nan 0.000 0.493 371 P HA -0.143 nan 4.420 nan 0.000 0.227 371 P C 0.609 177.868 177.300 -0.068 0.000 1.145 371 P CA 1.408 64.376 63.100 -0.220 0.000 0.769 371 P CB -0.090 31.541 31.700 -0.115 0.000 0.769 372 W N -2.836 118.463 121.300 -0.001 0.000 3.005 372 W HA 0.617 5.273 4.660 -0.007 0.000 0.374 372 W C 1.171 177.737 176.519 0.079 0.000 1.076 372 W CA 0.045 57.417 57.345 0.044 0.000 1.794 372 W CB -0.986 28.509 29.460 0.058 0.000 1.113 372 W HN -0.144 nan 8.180 nan 0.000 0.584 373 A N 1.658 124.545 122.820 0.111 0.000 2.042 373 A HA -0.279 4.037 4.320 -0.007 0.000 0.222 373 A C 2.180 179.968 177.584 0.340 0.000 1.167 373 A CA 1.882 54.019 52.037 0.168 0.000 0.649 373 A CB -0.384 18.572 19.000 -0.073 0.000 0.809 373 A HN 0.225 nan 8.150 nan 0.000 0.457 374 Q N -1.699 118.251 119.800 0.250 0.000 2.123 374 Q HA -0.055 4.281 4.340 -0.007 0.000 0.196 374 Q C 2.218 178.362 176.000 0.239 0.000 0.958 374 Q CA 1.777 57.700 55.803 0.201 0.000 0.841 374 Q CB -1.086 27.728 28.738 0.126 0.000 0.915 374 Q HN 0.624 nan 8.270 nan 0.000 0.455 375 T N 0.696 115.420 114.554 0.283 0.000 3.007 375 T HA -0.089 4.257 4.350 -0.007 0.000 0.270 375 T C 1.143 176.023 174.700 0.300 0.000 1.107 375 T CA 0.817 63.067 62.100 0.249 0.000 1.118 375 T CB -0.102 68.906 68.868 0.233 0.000 0.889 375 T HN 0.515 nan 8.240 nan 0.000 0.506 376 W N 1.446 122.866 121.300 0.200 0.000 2.539 376 W HA 0.018 4.674 4.660 -0.007 0.000 0.299 376 W C 2.255 178.869 176.519 0.159 0.000 1.165 376 W CA 1.219 58.677 57.345 0.189 0.000 1.400 376 W CB -0.930 28.759 29.460 0.381 0.000 1.123 376 W HN 0.381 nan 8.180 nan 0.000 0.533 377 S N 1.772 117.571 115.700 0.164 0.000 2.399 377 S HA -0.109 4.357 4.470 -0.007 0.000 0.231 377 S C 2.080 176.651 174.600 -0.049 0.000 1.022 377 S CA 1.521 59.706 58.200 -0.025 0.000 0.983 377 S CB -0.954 62.300 63.200 0.091 0.000 0.803 377 S HN 0.279 nan 8.310 nan 0.000 0.480 378 A N 1.818 124.651 122.820 0.022 0.000 2.119 378 A HA 0.115 4.431 4.320 -0.007 0.000 0.216 378 A C 2.377 179.949 177.584 -0.021 0.000 1.152 378 A CA 1.277 53.324 52.037 0.016 0.000 0.708 378 A CB -0.862 18.175 19.000 0.062 0.000 0.805 378 A HN 0.792 nan 8.150 nan 0.000 0.460 379 S N -0.315 115.351 115.700 -0.057 0.000 2.461 379 S HA 0.168 4.634 4.470 -0.007 0.000 0.228 379 S C 0.721 175.209 174.600 -0.187 0.000 1.005 379 S CA -0.146 58.003 58.200 -0.084 0.000 0.942 379 S CB -0.649 62.510 63.200 -0.068 0.000 0.776 379 S HN 0.401 nan 8.310 nan 0.000 0.514 380 L N 2.074 123.153 121.223 -0.240 0.000 2.461 380 L HA 0.329 4.665 4.340 -0.007 0.000 0.272 380 L C -2.481 174.273 176.870 -0.194 0.000 1.197 380 L CA -2.131 52.549 54.840 -0.267 0.000 0.836 380 L CB -0.167 41.721 42.059 -0.285 0.000 1.105 380 L HN -0.026 nan 8.230 nan 0.000 0.477 381 P HA 0.056 nan 4.420 nan 0.000 0.271 381 P C -0.877 176.360 177.300 -0.105 0.000 1.216 381 P CA -0.094 62.903 63.100 -0.171 0.000 0.771 381 P CB 0.821 32.418 31.700 -0.172 0.000 0.864 382 V N 3.031 122.896 119.914 -0.082 0.000 2.427 382 V HA 0.527 4.643 4.120 -0.007 0.000 0.286 382 V C 0.566 176.636 176.094 -0.040 0.000 1.034 382 V CA -0.917 61.355 62.300 -0.046 0.000 0.893 382 V CB 1.164 32.968 31.823 -0.032 0.000 0.982 382 V HN 0.623 nan 8.190 nan 0.000 0.452 383 A N 3.372 126.174 122.820 -0.030 0.000 2.445 383 A HA 0.535 4.851 4.320 -0.007 0.000 0.242 383 A C 1.511 179.077 177.584 -0.030 0.000 1.075 383 A CA 0.474 52.493 52.037 -0.030 0.000 0.777 383 A CB -0.278 18.704 19.000 -0.029 0.000 1.013 383 A HN 2.217 nan 8.150 nan 0.000 0.493 384 G N 0.758 109.543 108.800 -0.025 0.000 2.244 384 G HA2 -0.211 3.745 3.960 -0.007 0.000 0.274 384 G HA3 -0.211 3.745 3.960 -0.007 0.000 0.274 384 G C 0.039 174.932 174.900 -0.010 0.000 1.002 384 G CA 0.678 45.767 45.100 -0.018 0.000 0.740 384 G HN 0.786 nan 8.290 nan 0.000 0.516 385 E N 0.367 120.561 120.200 -0.010 0.000 2.089 385 E HA 0.358 4.704 4.350 -0.007 0.000 0.284 385 E C 1.180 177.789 176.600 0.015 0.000 1.023 385 E CA 0.301 56.702 56.400 0.002 0.000 0.819 385 E CB 1.345 31.044 29.700 -0.001 0.000 1.076 385 E HN 0.148 nan 8.360 nan 0.000 0.396 386 S N 2.716 118.430 115.700 0.023 0.000 2.383 386 S HA -0.173 4.293 4.470 -0.007 0.000 0.229 386 S C 0.749 175.383 174.600 0.058 0.000 1.030 386 S CA 0.915 59.136 58.200 0.035 0.000 1.002 386 S CB 0.092 63.311 63.200 0.031 0.000 0.829 386 S HN 0.516 nan 8.310 nan 0.000 0.467 387 D N 1.243 121.684 120.400 0.068 0.000 2.358 387 D HA 0.134 4.771 4.640 -0.007 0.000 0.258 387 D C -1.681 174.708 176.300 0.149 0.000 1.223 387 D CA -1.828 52.239 54.000 0.112 0.000 0.886 387 D CB 1.437 42.303 40.800 0.110 0.000 1.120 387 D HN 0.120 nan 8.370 nan 0.000 0.482 388 P HA -0.174 nan 4.420 nan 0.000 0.218 388 P C 0.783 178.192 177.300 0.182 0.000 1.152 388 P CA 1.145 64.406 63.100 0.268 0.000 0.857 388 P CB 0.013 31.930 31.700 0.362 0.000 0.787 389 F N -2.329 117.706 119.950 0.142 0.000 2.773 389 F HA 0.011 4.535 4.527 -0.006 0.000 0.304 389 F C 1.754 177.521 175.800 -0.055 0.000 1.129 389 F CA 0.452 58.479 58.000 0.044 0.000 1.378 389 F CB -0.166 38.907 39.000 0.123 0.000 1.095 389 F HN -0.214 nan 8.300 nan 0.000 0.565 390 V N -2.079 117.875 119.914 0.066 0.000 3.058 390 V HA 0.215 4.331 4.120 -0.007 0.000 0.233 390 V C 2.321 178.381 176.094 -0.057 0.000 1.255 390 V CA 1.087 63.395 62.300 0.014 0.000 1.267 390 V CB -0.589 31.262 31.823 0.047 0.000 1.049 390 V HN 0.214 nan 8.190 nan 0.000 0.486 391 G N -0.180 108.591 108.800 -0.047 0.000 2.396 391 G HA2 0.350 4.306 3.960 -0.007 0.000 0.214 391 G HA3 0.350 4.306 3.960 -0.007 0.000 0.214 391 G C 1.100 175.921 174.900 -0.131 0.000 1.166 391 G CA 1.179 46.240 45.100 -0.064 0.000 0.793 391 G HN 0.981 nan 8.290 nan 0.000 0.533 392 G N -0.262 108.418 108.800 -0.199 0.000 2.574 392 G HA2 -0.268 3.688 3.960 -0.007 0.000 0.282 392 G HA3 -0.268 3.688 3.960 -0.007 0.000 0.282 392 G C 1.294 176.119 174.900 -0.124 0.000 1.257 392 G CA 1.729 46.628 45.100 -0.336 0.000 0.956 392 G HN 1.323 nan 8.290 nan 0.000 0.560 393 T N -0.753 113.731 114.554 -0.116 0.000 3.093 393 T HA 0.148 4.494 4.350 -0.007 0.000 0.270 393 T C 1.671 176.347 174.700 -0.041 0.000 1.170 393 T CA 1.908 63.983 62.100 -0.041 0.000 1.072 393 T CB -0.256 68.585 68.868 -0.045 0.000 0.863 393 T HN 0.763 nan 8.240 nan 0.000 0.562 394 L N -0.718 120.472 121.223 -0.055 0.000 3.122 394 L HA 0.516 4.852 4.340 -0.007 0.000 0.274 394 L C 2.362 179.216 176.870 -0.028 0.000 1.222 394 L CA 0.040 54.857 54.840 -0.039 0.000 1.028 394 L CB -0.118 41.914 42.059 -0.045 0.000 1.386 394 L HN 0.262 nan 8.230 nan 0.000 0.578 395 A N 0.369 123.178 122.820 -0.018 0.000 2.067 395 A HA -0.075 4.241 4.320 -0.007 0.000 0.219 395 A C 1.389 178.975 177.584 0.003 0.000 1.158 395 A CA 1.254 53.290 52.037 -0.002 0.000 0.661 395 A CB -0.181 18.832 19.000 0.021 0.000 0.801 395 A HN 0.463 nan 8.150 nan 0.000 0.452 396 N N -0.391 118.309 118.700 -0.000 0.000 2.235 396 N HA 0.156 4.892 4.740 -0.007 0.000 0.231 396 N C -0.430 175.074 175.510 -0.009 0.000 1.177 396 N CA 0.043 53.093 53.050 -0.001 0.000 0.874 396 N CB 0.657 39.146 38.487 0.003 0.000 1.097 396 N HN 0.434 nan 8.380 nan 0.000 0.518 397 R N 0.030 120.521 120.500 -0.015 0.000 2.637 397 R HA 0.460 4.796 4.340 -0.007 0.000 0.291 397 R C 0.486 176.771 176.300 -0.025 0.000 0.963 397 R CA -0.607 55.480 56.100 -0.021 0.000 0.901 397 R CB 1.592 31.877 30.300 -0.024 0.000 1.160 397 R HN -0.035 nan 8.270 nan 0.000 0.457 398 M N 0.281 119.864 119.600 -0.030 0.000 2.762 398 M HA -0.283 4.194 4.480 -0.007 0.000 0.190 398 M C -0.409 175.874 176.300 -0.029 0.000 0.586 398 M CA 1.088 56.368 55.300 -0.034 0.000 0.620 398 M CB -1.315 31.259 32.600 -0.044 0.000 2.269 398 M HN 0.544 nan 8.290 nan 0.000 0.563 399 R N 0.830 121.317 120.500 -0.021 0.000 2.537 399 R HA 0.303 4.640 4.340 -0.007 0.000 0.280 399 R C 1.369 177.660 176.300 -0.015 0.000 1.058 399 R CA 1.029 57.119 56.100 -0.016 0.000 1.057 399 R CB 0.342 30.636 30.300 -0.010 0.000 0.973 399 R HN 0.543 nan 8.270 nan 0.000 0.438 400 G N 1.582 110.374 108.800 -0.013 0.000 2.176 400 G HA2 -0.285 3.671 3.960 -0.007 0.000 0.252 400 G HA3 -0.285 3.671 3.960 -0.007 0.000 0.252 400 G C 0.109 175.002 174.900 -0.012 0.000 1.024 400 G CA 0.641 45.735 45.100 -0.010 0.000 0.755 400 G HN 0.772 nan 8.290 nan 0.000 0.507 401 T N -4.886 109.657 114.554 -0.019 0.000 2.864 401 T HA 0.824 5.170 4.350 -0.007 0.000 0.289 401 T C 1.461 176.147 174.700 -0.023 0.000 1.082 401 T CA 0.357 62.446 62.100 -0.019 0.000 1.009 401 T CB 1.462 70.313 68.868 -0.028 0.000 1.234 401 T HN 1.418 nan 8.240 nan 0.000 0.526 402 A N 0.261 123.074 122.820 -0.011 0.000 2.076 402 A HA 0.234 4.550 4.320 -0.007 0.000 0.220 402 A C 2.355 179.883 177.584 -0.094 0.000 1.160 402 A CA 1.855 53.890 52.037 -0.003 0.000 0.653 402 A CB -1.418 17.616 19.000 0.056 0.000 0.801 402 A HN 1.352 nan 8.150 nan 0.000 0.455 403 A N -0.616 122.154 122.820 -0.084 0.000 2.206 403 A HA 0.093 4.409 4.320 -0.007 0.000 0.211 403 A C 0.984 178.505 177.584 -0.106 0.000 1.158 403 A CA 0.369 52.342 52.037 -0.107 0.000 0.761 403 A CB -0.303 18.649 19.000 -0.080 0.000 0.801 403 A HN 0.622 nan 8.150 nan 0.000 0.473 404 E N -0.312 119.835 120.200 -0.088 0.000 2.376 404 E HA 0.311 4.657 4.350 -0.007 0.000 0.266 404 E C 1.259 177.810 176.600 -0.083 0.000 1.009 404 E CA 0.508 56.868 56.400 -0.066 0.000 0.902 404 E CB 0.085 29.761 29.700 -0.041 0.000 0.972 404 E HN 0.580 nan 8.360 nan 0.000 0.439 405 G N 2.725 111.491 108.800 -0.057 0.000 2.205 405 G HA2 -0.316 3.640 3.960 -0.007 0.000 0.269 405 G HA3 -0.316 3.640 3.960 -0.007 0.000 0.269 405 G C 0.684 175.542 174.900 -0.070 0.000 0.977 405 G CA 0.654 45.726 45.100 -0.048 0.000 0.652 405 G HN 0.442 nan 8.290 nan 0.000 0.539 406 V N -0.187 119.654 119.914 -0.121 0.000 2.784 406 V HA 0.192 4.309 4.120 -0.007 0.000 0.231 406 V C 1.886 177.956 176.094 -0.040 0.000 1.128 406 V CA 0.722 62.932 62.300 -0.150 0.000 1.178 406 V CB -0.147 31.423 31.823 -0.421 0.000 0.943 406 V HN 0.205 nan 8.190 nan 0.000 0.500 407 V N 2.565 122.464 119.914 -0.025 0.000 2.539 407 V HA -0.039 4.077 4.120 -0.007 0.000 0.300 407 V C 0.136 176.269 176.094 0.066 0.000 1.019 407 V CA 0.709 63.049 62.300 0.067 0.000 1.160 407 V CB -0.407 31.453 31.823 0.062 0.000 0.901 407 V HN 0.560 nan 8.190 nan 0.000 0.481 408 E N 4.272 124.536 120.200 0.107 0.000 2.101 408 E HA 0.671 5.017 4.350 -0.007 0.000 0.260 408 E C -0.214 176.377 176.600 -0.015 0.000 0.897 408 E CA -0.224 56.203 56.400 0.044 0.000 0.744 408 E CB 1.623 31.381 29.700 0.096 0.000 1.140 408 E HN 0.804 nan 8.360 nan 0.000 0.419 409 A N 2.876 125.659 122.820 -0.062 0.000 2.515 409 A HA 0.691 5.007 4.320 -0.007 0.000 0.296 409 A C -1.078 176.397 177.584 -0.182 0.000 1.094 409 A CA -0.849 51.099 52.037 -0.148 0.000 0.718 409 A CB 1.702 20.727 19.000 0.042 0.000 1.307 409 A HN 0.326 nan 8.150 nan 0.000 0.408 410 K N 0.473 120.732 120.400 -0.236 0.000 2.164 410 K HA 0.665 4.982 4.320 -0.007 0.000 0.258 410 K C 0.192 176.710 176.600 -0.137 0.000 0.951 410 K CA 0.161 56.321 56.287 -0.212 0.000 0.844 410 K CB 1.245 33.588 32.500 -0.262 0.000 1.099 410 K HN 0.902 nan 8.250 nan 0.000 0.435 411 T N -0.712 113.778 114.554 -0.108 0.000 2.910 411 T HA 0.841 5.187 4.350 -0.007 0.000 0.279 411 T C 0.069 174.735 174.700 -0.057 0.000 0.989 411 T CA -0.853 61.208 62.100 -0.066 0.000 0.968 411 T CB 1.572 70.408 68.868 -0.054 0.000 1.135 411 T HN 0.571 nan 8.240 nan 0.000 0.562 412 G N 0.329 109.106 108.800 -0.040 0.000 2.505 412 G HA2 0.520 4.476 3.960 -0.007 0.000 0.292 412 G HA3 0.520 4.476 3.960 -0.007 0.000 0.292 412 G C -1.090 173.790 174.900 -0.034 0.000 1.332 412 G CA -0.729 44.351 45.100 -0.033 0.000 1.286 412 G HN 0.834 nan 8.290 nan 0.000 0.606 413 T N 1.987 116.511 114.554 -0.051 0.000 2.861 413 T HA 0.813 5.159 4.350 -0.007 0.000 0.287 413 T C -0.221 174.416 174.700 -0.106 0.000 1.003 413 T CA -0.535 61.528 62.100 -0.062 0.000 0.977 413 T CB 1.963 70.788 68.868 -0.071 0.000 0.996 413 T HN 0.759 nan 8.240 nan 0.000 0.448 414 M N 1.156 120.697 119.600 -0.098 0.000 2.732 414 M HA 0.463 4.939 4.480 -0.007 0.000 0.272 414 M C -0.907 175.311 176.300 -0.136 0.000 1.203 414 M CA -0.682 54.523 55.300 -0.158 0.000 0.841 414 M CB 2.168 34.676 32.600 -0.152 0.000 1.685 414 M HN 0.584 nan 8.290 nan 0.000 0.492 415 S N 0.871 116.457 115.700 -0.190 0.000 2.509 415 S HA 0.401 4.867 4.470 -0.007 0.000 0.287 415 S C 1.007 175.510 174.600 -0.162 0.000 1.248 415 S CA 1.776 59.876 58.200 -0.167 0.000 1.089 415 S CB -0.465 62.629 63.200 -0.177 0.000 0.900 415 S HN 1.312 nan 8.310 nan 0.000 0.496 416 G N 2.972 111.631 108.800 -0.235 0.000 2.184 416 G HA2 -0.210 3.746 3.960 -0.007 0.000 0.264 416 G HA3 -0.210 3.746 3.960 -0.007 0.000 0.264 416 G C 0.004 174.816 174.900 -0.146 0.000 0.975 416 G CA 0.248 45.113 45.100 -0.391 0.000 0.642 416 G HN 1.059 nan 8.290 nan 0.000 0.536 417 V N -0.391 119.556 119.914 0.055 0.000 2.789 417 V HA 0.892 5.008 4.120 -0.007 0.000 0.311 417 V C -0.046 176.139 176.094 0.152 0.000 1.073 417 V CA -0.030 62.362 62.300 0.155 0.000 0.921 417 V CB 2.082 33.920 31.823 0.025 0.000 1.009 417 V HN 0.819 nan 8.190 nan 0.000 0.426 418 S N 1.813 117.571 115.700 0.097 0.000 2.537 418 S HA 0.906 5.373 4.470 -0.007 0.000 0.271 418 S C -1.184 173.407 174.600 -0.015 0.000 1.148 418 S CA 0.304 58.506 58.200 0.004 0.000 0.868 418 S CB 1.792 64.950 63.200 -0.069 0.000 1.115 418 S HN 1.665 nan 8.310 nan 0.000 0.461 419 A N 2.104 124.915 122.820 -0.016 0.000 2.606 419 A HA 0.873 5.189 4.320 -0.007 0.000 0.293 419 A C -2.065 175.517 177.584 -0.003 0.000 1.082 419 A CA -0.578 51.456 52.037 -0.004 0.000 0.685 419 A CB 1.752 20.754 19.000 0.004 0.000 1.284 419 A HN 1.310 nan 8.150 nan 0.000 0.408 420 L N 0.930 122.170 121.223 0.027 0.000 2.596 420 L HA 0.720 5.056 4.340 -0.007 0.000 0.265 420 L C -1.053 175.838 176.870 0.035 0.000 0.962 420 L CA 0.350 55.231 54.840 0.068 0.000 0.891 420 L CB 1.822 43.979 42.059 0.163 0.000 1.248 420 L HN 0.645 nan 8.230 nan 0.000 0.410 421 S N 2.576 118.128 115.700 -0.246 0.000 2.541 421 S HA 1.031 5.497 4.470 -0.007 0.000 0.280 421 S C -0.151 173.922 174.600 -0.878 0.000 1.112 421 S CA -0.097 57.721 58.200 -0.637 0.000 0.925 421 S CB 1.894 64.879 63.200 -0.358 0.000 1.067 421 S HN 1.129 nan 8.310 nan 0.000 0.479 422 G N 1.154 109.111 108.800 -1.406 0.000 2.392 422 G HA2 0.444 4.400 3.960 -0.007 0.000 0.260 422 G HA3 0.444 4.400 3.960 -0.007 0.000 0.260 422 G C -2.468 171.912 174.900 -0.867 0.000 1.226 422 G CA -0.599 43.886 45.100 -1.025 0.000 0.913 422 G HN 0.488 nan 8.290 nan 0.000 0.483 423 Y N -1.056 119.191 120.300 -0.089 0.000 2.485 423 Y HA 0.657 5.203 4.550 -0.006 0.000 0.345 423 Y C 0.038 176.069 175.900 0.217 0.000 0.998 423 Y CA -1.002 57.154 58.100 0.094 0.000 1.059 423 Y CB 2.691 41.195 38.460 0.073 0.000 1.234 423 Y HN 0.290 nan 8.280 nan 0.000 0.461 424 V N 4.111 124.268 119.914 0.404 0.000 2.320 424 V HA 0.282 4.398 4.120 -0.007 0.000 0.268 424 V C -2.527 173.713 176.094 0.244 0.000 1.021 424 V CA -1.786 60.685 62.300 0.285 0.000 0.813 424 V CB 0.996 32.965 31.823 0.244 0.000 1.054 424 V HN 0.548 nan 8.190 nan 0.000 0.444 425 P HA 0.337 nan 4.420 nan 0.000 0.279 425 P C 0.076 177.517 177.300 0.235 0.000 1.318 425 P CA 0.533 63.739 63.100 0.178 0.000 0.819 425 P CB 1.550 33.327 31.700 0.128 0.000 0.927 426 G N 4.509 113.403 108.800 0.155 0.000 2.620 426 G HA2 0.455 4.411 3.960 -0.007 0.000 0.301 426 G HA3 0.455 4.411 3.960 -0.007 0.000 0.301 426 G C -2.009 172.875 174.900 -0.027 0.000 1.347 426 G CA -1.592 43.541 45.100 0.056 0.000 0.971 426 G HN 0.112 nan 8.290 nan 0.000 0.488 427 P HA -0.092 nan 4.420 nan 0.000 0.226 427 P C 0.605 177.862 177.300 -0.073 0.000 1.146 427 P CA 0.930 63.983 63.100 -0.078 0.000 0.773 427 P CB 0.568 32.203 31.700 -0.107 0.000 0.772 428 E N -0.107 120.039 120.200 -0.091 0.000 2.465 428 E HA 0.312 4.658 4.350 -0.007 0.000 0.191 428 E C 1.036 177.602 176.600 -0.056 0.000 1.053 428 E CA 0.146 56.481 56.400 -0.109 0.000 0.869 428 E CB 0.195 29.778 29.700 -0.195 0.000 0.977 428 E HN 0.275 nan 8.360 nan 0.000 0.483 429 G N 1.726 110.525 108.800 -0.002 0.000 2.521 429 G HA2 -0.062 3.894 3.960 -0.007 0.000 0.589 429 G HA3 -0.062 3.894 3.960 -0.007 0.000 0.589 429 G C -1.237 173.718 174.900 0.092 0.000 1.501 429 G CA -1.006 44.124 45.100 0.050 0.000 0.887 429 G HN 0.011 nan 8.290 nan 0.000 0.654 430 E N 0.469 120.724 120.200 0.091 0.000 2.290 430 E HA 0.616 4.962 4.350 -0.007 0.000 0.277 430 E C -0.331 176.369 176.600 0.168 0.000 1.035 430 E CA -0.367 56.101 56.400 0.114 0.000 0.873 430 E CB 0.844 30.587 29.700 0.071 0.000 1.029 430 E HN 0.429 nan 8.360 nan 0.000 0.419 431 L N 3.291 124.651 121.223 0.229 0.000 2.354 431 L HA 0.799 5.135 4.340 -0.007 0.000 0.269 431 L C -0.794 176.285 176.870 0.347 0.000 1.005 431 L CA -0.725 54.277 54.840 0.270 0.000 0.819 431 L CB 1.917 44.140 42.059 0.272 0.000 1.311 431 L HN 0.694 nan 8.230 nan 0.000 0.423 432 A N 2.537 125.525 122.820 0.280 0.000 2.393 432 A HA 0.882 5.198 4.320 -0.007 0.000 0.306 432 A C -1.327 176.344 177.584 0.146 0.000 1.050 432 A CA -0.377 51.750 52.037 0.151 0.000 0.724 432 A CB 1.071 20.155 19.000 0.140 0.000 1.248 432 A HN 0.581 nan 8.150 nan 0.000 0.424 433 F N 0.094 120.027 119.950 -0.028 0.000 2.645 433 F HA 0.869 5.392 4.527 -0.007 0.000 0.310 433 F C -0.591 175.181 175.800 -0.047 0.000 1.102 433 F CA -0.888 57.100 58.000 -0.020 0.000 0.952 433 F CB 1.560 40.546 39.000 -0.024 0.000 1.326 433 F HN 0.523 nan 8.300 nan 0.000 0.456 434 S N 2.405 118.171 115.700 0.109 0.000 2.575 434 S HA 0.802 5.268 4.470 -0.007 0.000 0.278 434 S C -1.487 173.209 174.600 0.161 0.000 1.139 434 S CA -0.565 57.651 58.200 0.028 0.000 0.954 434 S CB 0.903 64.096 63.200 -0.012 0.000 1.054 434 S HN 0.674 nan 8.310 nan 0.000 0.483 435 I N 4.494 125.153 120.570 0.149 0.000 2.468 435 I HA 0.470 4.636 4.170 -0.007 0.000 0.284 435 I C -1.041 175.109 176.117 0.056 0.000 1.038 435 I CA -0.846 60.518 61.300 0.106 0.000 1.083 435 I CB 1.938 39.998 38.000 0.099 0.000 1.223 435 I HN 0.270 nan 8.210 nan 0.000 0.443 436 V N 5.880 125.821 119.914 0.045 0.000 2.487 436 V HA 0.466 4.582 4.120 -0.007 0.000 0.298 436 V C -0.424 175.684 176.094 0.023 0.000 1.028 436 V CA -0.668 61.652 62.300 0.033 0.000 0.860 436 V CB 1.972 33.822 31.823 0.045 0.000 0.991 436 V HN 0.655 nan 8.190 nan 0.000 0.427 437 N N 4.293 122.998 118.700 0.008 0.000 2.399 437 N HA 0.485 5.221 4.740 -0.007 0.000 0.280 437 N C -1.126 174.450 175.510 0.110 0.000 1.008 437 N CA -0.420 52.634 53.050 0.008 0.000 0.894 437 N CB 2.182 40.581 38.487 -0.147 0.000 1.273 437 N HN 0.697 nan 8.380 nan 0.000 0.486 438 N N -0.139 118.643 118.700 0.137 0.000 2.249 438 N HA 0.448 5.184 4.740 -0.007 0.000 0.296 438 N C 0.455 176.050 175.510 0.143 0.000 1.051 438 N CA -0.475 52.659 53.050 0.141 0.000 0.815 438 N CB 2.462 40.990 38.487 0.068 0.000 1.487 438 N HN 0.681 nan 8.380 nan 0.000 0.475 439 G N 0.801 109.645 108.800 0.073 0.000 2.213 439 G HA2 -0.248 3.708 3.960 -0.007 0.000 0.236 439 G HA3 -0.248 3.708 3.960 -0.007 0.000 0.236 439 G C 0.038 174.935 174.900 -0.004 0.000 0.991 439 G CA 0.035 45.144 45.100 0.016 0.000 0.629 439 G HN 0.844 nan 8.290 nan 0.000 0.517 440 H N 0.999 120.065 119.070 -0.006 0.000 2.871 440 H HA 0.563 5.115 4.556 -0.006 0.000 0.355 440 H C 1.271 176.592 175.328 -0.010 0.000 1.092 440 H CA 0.584 56.627 56.048 -0.008 0.000 1.420 440 H CB 0.959 30.714 29.762 -0.012 0.000 1.400 440 H HN 0.531 nan 8.280 nan 0.000 0.604 441 S N 0.732 116.404 115.700 -0.047 0.000 2.539 441 S HA 0.269 4.735 4.470 -0.007 0.000 0.221 441 S C 1.037 175.606 174.600 -0.051 0.000 0.987 441 S CA -0.128 58.017 58.200 -0.093 0.000 0.929 441 S CB 0.280 63.454 63.200 -0.043 0.000 0.832 441 S HN 0.883 nan 8.310 nan 0.000 0.492 442 G N 1.689 110.504 108.800 0.025 0.000 2.940 442 G HA2 0.661 4.617 3.960 -0.007 0.000 0.164 442 G HA3 0.661 4.617 3.960 -0.007 0.000 0.164 442 G C -2.807 172.145 174.900 0.087 0.000 1.326 442 G CA -1.588 43.538 45.100 0.043 0.000 1.020 442 G HN 0.295 nan 8.290 nan 0.000 0.586 443 P HA 0.420 nan 4.420 nan 0.000 0.274 443 P C -0.191 177.188 177.300 0.132 0.000 1.256 443 P CA -0.176 62.968 63.100 0.074 0.000 0.795 443 P CB 0.525 32.240 31.700 0.025 0.000 1.038 444 A N 2.738 125.609 122.820 0.085 0.000 2.567 444 A HA 0.170 4.486 4.320 -0.007 0.000 0.240 444 A C -1.595 175.939 177.584 -0.082 0.000 1.053 444 A CA -0.583 51.460 52.037 0.009 0.000 0.755 444 A CB -1.080 17.916 19.000 -0.005 0.000 0.978 444 A HN 0.424 nan 8.150 nan 0.000 0.507 445 P HA 0.086 nan 4.420 nan 0.000 0.225 445 P C 0.912 178.145 177.300 -0.111 0.000 1.768 445 P CA -0.070 62.936 63.100 -0.157 0.000 0.943 445 P CB -0.072 31.491 31.700 -0.229 0.000 1.936 446 L N 0.526 121.701 121.223 -0.079 0.000 2.012 446 L HA -0.219 4.117 4.340 -0.007 0.000 0.210 446 L C 2.570 179.403 176.870 -0.062 0.000 1.073 446 L CA 2.083 56.886 54.840 -0.062 0.000 0.748 446 L CB -1.504 40.528 42.059 -0.045 0.000 0.891 446 L HN 0.131 nan 8.230 nan 0.000 0.431 447 A N -0.056 122.731 122.820 -0.056 0.000 1.940 447 A HA -0.155 4.161 4.320 -0.007 0.000 0.219 447 A C 2.372 179.916 177.584 -0.067 0.000 1.176 447 A CA 1.946 53.950 52.037 -0.054 0.000 0.631 447 A CB -0.842 18.131 19.000 -0.044 0.000 0.814 447 A HN 0.229 nan 8.150 nan 0.000 0.446 448 V N -0.189 119.681 119.914 -0.073 0.000 2.295 448 V HA -0.332 3.784 4.120 -0.007 0.000 0.246 448 V C 2.647 178.681 176.094 -0.099 0.000 1.049 448 V CA 2.321 64.571 62.300 -0.083 0.000 1.024 448 V CB -0.969 30.803 31.823 -0.085 0.000 0.648 448 V HN 0.659 nan 8.190 nan 0.000 0.447 449 Q N -0.236 119.508 119.800 -0.093 0.000 1.942 449 Q HA -0.237 4.099 4.340 -0.007 0.000 0.203 449 Q C 2.159 178.088 176.000 -0.119 0.000 0.987 449 Q CA 1.920 57.666 55.803 -0.095 0.000 0.844 449 Q CB -0.418 28.284 28.738 -0.060 0.000 0.911 449 Q HN 0.568 nan 8.270 nan 0.000 0.423 450 D N 0.659 121.003 120.400 -0.092 0.000 2.157 450 D HA -0.246 4.390 4.640 -0.007 0.000 0.191 450 D C 1.746 177.978 176.300 -0.113 0.000 1.004 450 D CA 1.665 55.609 54.000 -0.093 0.000 0.854 450 D CB -0.454 40.306 40.800 -0.067 0.000 0.936 450 D HN 0.347 nan 8.370 nan 0.000 0.446 451 A N 0.561 123.319 122.820 -0.105 0.000 1.865 451 A HA -0.192 4.124 4.320 -0.007 0.000 0.217 451 A C 2.450 179.948 177.584 -0.143 0.000 1.191 451 A CA 1.394 53.368 52.037 -0.105 0.000 0.623 451 A CB -0.805 18.140 19.000 -0.090 0.000 0.826 451 A HN 0.257 nan 8.150 nan 0.000 0.444 452 I N -0.505 119.955 120.570 -0.185 0.000 2.252 452 I HA -0.260 3.906 4.170 -0.007 0.000 0.245 452 I C 3.008 178.935 176.117 -0.317 0.000 1.102 452 I CA 0.956 62.103 61.300 -0.254 0.000 1.385 452 I CB -0.483 37.343 38.000 -0.291 0.000 1.064 452 I HN 0.388 nan 8.210 nan 0.000 0.414 453 A N 0.753 123.360 122.820 -0.355 0.000 1.851 453 A HA -0.183 4.133 4.320 -0.007 0.000 0.216 453 A C 2.403 179.842 177.584 -0.243 0.000 1.195 453 A CA 1.990 53.768 52.037 -0.431 0.000 0.622 453 A CB -1.145 17.652 19.000 -0.338 0.000 0.831 453 A HN 0.224 nan 8.150 nan 0.000 0.444 454 V N 0.112 119.931 119.914 -0.158 0.000 2.568 454 V HA -0.231 3.885 4.120 -0.007 0.000 0.253 454 V C 2.706 178.759 176.094 -0.067 0.000 1.072 454 V CA 2.100 64.344 62.300 -0.094 0.000 1.084 454 V CB -0.852 30.928 31.823 -0.072 0.000 0.676 454 V HN 0.476 nan 8.190 nan 0.000 0.469 455 R N -0.473 119.971 120.500 -0.093 0.000 2.093 455 R HA 0.032 4.368 4.340 -0.007 0.000 0.224 455 R C 2.170 178.459 176.300 -0.018 0.000 1.101 455 R CA 1.069 57.135 56.100 -0.056 0.000 0.979 455 R CB -0.261 29.983 30.300 -0.093 0.000 0.877 455 R HN 0.454 nan 8.270 nan 0.000 0.441 456 L N -0.118 121.057 121.223 -0.079 0.000 2.109 456 L HA -0.074 4.262 4.340 -0.007 0.000 0.207 456 L C 2.609 179.528 176.870 0.082 0.000 1.086 456 L CA 1.106 55.937 54.840 -0.015 0.000 0.760 456 L CB -0.587 41.381 42.059 -0.152 0.000 0.910 456 L HN 0.141 nan 8.230 nan 0.000 0.437 457 A N 0.258 123.095 122.820 0.027 0.000 1.940 457 A HA -0.237 4.079 4.320 -0.007 0.000 0.219 457 A C 2.143 179.829 177.584 0.170 0.000 1.176 457 A CA 1.841 53.930 52.037 0.086 0.000 0.631 457 A CB -0.374 18.621 19.000 -0.009 0.000 0.814 457 A HN 0.505 nan 8.150 nan 0.000 0.446 458 E N -1.885 118.383 120.200 0.114 0.000 2.046 458 E HA -0.162 4.184 4.350 -0.007 0.000 0.190 458 E C 1.929 178.592 176.600 0.105 0.000 0.982 458 E CA 1.186 57.649 56.400 0.105 0.000 0.800 458 E CB -0.379 29.365 29.700 0.072 0.000 0.756 458 E HN 0.729 nan 8.360 nan 0.000 0.449 459 Y N 1.607 121.916 120.300 0.015 0.000 2.241 459 Y HA -0.236 4.311 4.550 -0.006 0.000 0.286 459 Y C 2.087 178.001 175.900 0.024 0.000 1.166 459 Y CA 1.341 59.449 58.100 0.013 0.000 1.203 459 Y CB -0.172 38.292 38.460 0.007 0.000 0.977 459 Y HN -0.003 nan 8.280 nan 0.000 0.529 460 A N -0.718 122.156 122.820 0.092 0.000 2.235 460 A HA 0.334 4.650 4.320 -0.007 0.000 0.208 460 A C 1.737 179.272 177.584 -0.081 0.000 1.172 460 A CA 0.862 52.919 52.037 0.034 0.000 0.786 460 A CB -1.148 17.956 19.000 0.174 0.000 0.804 460 A HN 0.939 nan 8.150 nan 0.000 0.479 461 G N -1.280 107.460 108.800 -0.099 0.000 2.141 461 G HA2 -0.150 3.806 3.960 -0.007 0.000 0.195 461 G HA3 -0.150 3.806 3.960 -0.007 0.000 0.195 461 G C -0.120 174.642 174.900 -0.230 0.000 1.012 461 G CA 0.059 45.060 45.100 -0.166 0.000 0.696 461 G HN 0.622 nan 8.290 nan 0.000 0.508 462 H N -0.405 118.660 119.070 -0.009 0.000 2.595 462 H HA 0.702 5.254 4.556 -0.007 0.000 0.346 462 H C 0.056 175.382 175.328 -0.004 0.000 1.181 462 H CA 0.025 56.072 56.048 -0.002 0.000 1.242 462 H CB 1.778 31.543 29.762 0.006 0.000 1.652 462 H HN 0.333 nan 8.280 nan 0.000 0.548 463 Q N -0.122 119.767 119.800 0.148 0.000 2.394 463 Q HA 0.560 4.896 4.340 -0.007 0.000 0.273 463 Q C -0.816 175.222 176.000 0.062 0.000 1.089 463 Q CA -0.872 54.976 55.803 0.075 0.000 0.812 463 Q CB 2.689 31.452 28.738 0.042 0.000 1.353 463 Q HN 0.758 nan 8.270 nan 0.000 0.438 464 A N 2.670 125.511 122.820 0.035 0.000 2.425 464 A HA 0.551 4.867 4.320 -0.007 0.000 0.249 464 A C -2.059 175.535 177.584 0.018 0.000 1.084 464 A CA -0.995 51.054 52.037 0.019 0.000 0.781 464 A CB -0.391 18.614 19.000 0.009 0.000 1.019 464 A HN 0.532 nan 8.150 nan 0.000 0.490 465 P HA 0.250 nan 4.420 nan 0.000 0.275 465 P C -0.321 176.984 177.300 0.008 0.000 1.227 465 P CA 0.111 63.218 63.100 0.012 0.000 0.781 465 P CB 1.535 33.241 31.700 0.009 0.000 0.906 466 E N 0.626 120.831 120.200 0.009 0.000 2.288 466 E HA 0.345 4.691 4.350 -0.007 0.000 0.200 466 E C 0.794 177.398 176.600 0.006 0.000 0.880 466 E CA 0.223 56.627 56.400 0.006 0.000 0.971 466 E CB 0.490 30.194 29.700 0.006 0.000 0.954 466 E HN 0.718 nan 8.360 nan 0.000 0.489 467 G N 0.000 108.804 108.800 0.007 0.000 5.446 467 G HA2 0.000 3.956 3.960 -0.007 0.000 0.244 467 G HA3 0.000 3.956 3.960 -0.007 0.000 0.244 467 G CA 0.000 nan 45.100 nan 0.000 0.502 467 G HN 0.000 nan 8.290 nan 0.000 0.925