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 1hy1_1_B DATA FIRST_RESID 16 DATA SEQUENCE STDPIMEKLN SSIAYDQRLS EVDIQGSMAY AKALEKAGIL TKTELEKILS DATA SEQUENCE GLEKISEEWS KGVFVVKQSD EDIHTANERR LKELIGDIAG KLHTGRSRND DATA SEQUENCE QVVTDLKLFM KNSLSIISTH LLQLIKTLVE RAAIEIDVIL PGYTHLQKAQ DATA SEQUENCE PIRWSQFLLS HAVALTRDSE RLGEVKKRIN VLPLGSGALA GNPLDIDREM DATA SEQUENCE LRSELEFASI SLNSMDAISE RDFVVEFLSF ATLLMIHLSK MAEDLIIYST DATA SEQUENCE SEFGFLTLSD AFSTGSSLMP QKKNPDSLEL IRSKAGRVFG RLASILMVLK DATA SEQUENCE GLPSTYNKDL QEDKEAVFDV VDTLTAVLQV ATGVISTLQI SKENMEKALT DATA SEQUENCE PEMLATDLAL YLVRKGVPFR QAHTASGKAV HLAETKGITI NKLSLEDLKS DATA SEQUENCE ISPQFSSDVS QVFNFVNSVE QYTALAGTAK SSVTTQIEQL RELMKKQK 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 16 S HA 0.000 nan 4.470 nan 0.000 0.327 16 S C 0.000 174.604 174.600 0.006 0.000 1.055 16 S CA 0.000 58.203 58.200 0.006 0.000 1.107 16 S CB 0.000 63.203 63.200 0.005 0.000 0.593 17 T N 4.087 118.645 114.554 0.007 0.000 2.939 17 T HA 0.114 4.465 4.350 0.001 0.000 0.312 17 T C -0.241 174.463 174.700 0.007 0.000 1.064 17 T CA 0.761 62.865 62.100 0.008 0.000 1.136 17 T CB 0.136 69.009 68.868 0.009 0.000 1.035 17 T HN 0.427 nan 8.240 nan 0.000 0.538 18 D N 3.659 124.063 120.400 0.007 0.000 2.424 18 D HA 0.004 4.645 4.640 0.001 0.000 0.244 18 D C -1.079 175.226 176.300 0.008 0.000 1.134 18 D CA -1.831 52.173 54.000 0.007 0.000 0.881 18 D CB 1.278 42.082 40.800 0.006 0.000 1.191 18 D HN 0.195 nan 8.370 nan 0.000 0.445 19 P HA -0.130 nan 4.420 nan 0.000 0.216 19 P C 1.778 179.084 177.300 0.011 0.000 1.150 19 P CA 0.980 64.086 63.100 0.009 0.000 0.837 19 P CB 0.351 32.056 31.700 0.009 0.000 0.786 20 I N -1.507 119.069 120.570 0.010 0.000 2.333 20 I HA -0.135 4.036 4.170 0.001 0.000 0.246 20 I C 2.787 178.911 176.117 0.012 0.000 1.106 20 I CA 0.953 62.260 61.300 0.012 0.000 1.411 20 I CB -0.634 37.372 38.000 0.009 0.000 1.082 20 I HN -0.138 nan 8.210 nan 0.000 0.420 21 M N 0.618 120.224 119.600 0.010 0.000 2.149 21 M HA -0.229 4.252 4.480 0.001 0.000 0.261 21 M C 2.200 178.508 176.300 0.013 0.000 1.064 21 M CA 1.851 57.157 55.300 0.010 0.000 1.102 21 M CB -0.678 31.927 32.600 0.008 0.000 1.369 21 M HN 0.169 nan 8.290 nan 0.000 0.408 22 E N 0.665 120.872 120.200 0.012 0.000 2.017 22 E HA -0.215 4.136 4.350 0.001 0.000 0.193 22 E C 1.961 178.569 176.600 0.014 0.000 0.997 22 E CA 1.736 58.143 56.400 0.012 0.000 0.804 22 E CB -0.298 29.409 29.700 0.011 0.000 0.757 22 E HN 0.232 nan 8.360 nan 0.000 0.448 23 K N 0.320 120.730 120.400 0.017 0.000 2.097 23 K HA -0.154 4.167 4.320 0.001 0.000 0.206 23 K C 2.010 178.628 176.600 0.029 0.000 1.049 23 K CA 1.135 57.435 56.287 0.022 0.000 0.933 23 K CB -0.452 32.062 32.500 0.023 0.000 0.717 23 K HN 0.290 nan 8.250 nan 0.000 0.442 24 L N 1.889 123.129 121.223 0.027 0.000 2.450 24 L HA -0.073 4.268 4.340 0.001 0.000 0.224 24 L C 1.278 178.171 176.870 0.037 0.000 1.149 24 L CA 1.483 56.343 54.840 0.033 0.000 0.816 24 L CB -0.680 41.393 42.059 0.022 0.000 0.932 24 L HN 0.246 nan 8.230 nan 0.000 0.449 25 N N -1.890 116.826 118.700 0.027 0.000 2.203 25 N HA 0.043 4.783 4.740 0.001 0.000 0.207 25 N C -0.053 175.462 175.510 0.008 0.000 1.130 25 N CA 0.083 53.147 53.050 0.023 0.000 0.861 25 N CB 0.337 38.834 38.487 0.017 0.000 1.005 25 N HN 0.139 nan 8.380 nan 0.000 0.507 26 S N -0.359 115.342 115.700 0.003 0.000 2.411 26 S HA 0.227 4.698 4.470 0.001 0.000 0.294 26 S C 0.944 175.469 174.600 -0.126 0.000 1.115 26 S CA -0.476 57.700 58.200 -0.040 0.000 1.071 26 S CB 0.488 63.675 63.200 -0.022 0.000 0.967 26 S HN 0.311 nan 8.310 nan 0.000 0.488 27 S N 4.927 120.478 115.700 -0.248 0.000 2.524 27 S HA 0.031 4.501 4.470 0.001 0.000 0.215 27 S C 1.570 175.728 174.600 -0.737 0.000 0.986 27 S CA -0.126 57.641 58.200 -0.721 0.000 0.911 27 S CB -0.446 62.468 63.200 -0.476 0.000 0.805 27 S HN 0.698 nan 8.310 nan 0.000 0.501 28 I N 3.582 123.965 120.570 -0.313 0.000 2.181 28 I HA -0.244 3.927 4.170 0.001 0.000 0.247 28 I C 2.488 178.500 176.117 -0.174 0.000 1.081 28 I CA 1.277 62.473 61.300 -0.173 0.000 1.340 28 I CB -1.037 36.936 38.000 -0.044 0.000 1.036 28 I HN 0.343 nan 8.210 nan 0.000 0.417 29 A N -0.353 122.365 122.820 -0.171 0.000 1.997 29 A HA -0.264 4.057 4.320 0.001 0.000 0.221 29 A C 2.029 179.639 177.584 0.043 0.000 1.172 29 A CA 2.576 54.594 52.037 -0.031 0.000 0.645 29 A CB -1.098 17.934 19.000 0.053 0.000 0.813 29 A HN 0.819 nan 8.150 nan 0.000 0.454 30 Y N -2.309 118.033 120.300 0.070 0.000 2.425 30 Y HA 0.289 4.840 4.550 0.001 0.000 0.261 30 Y C 0.835 176.807 175.900 0.119 0.000 1.084 30 Y CA -0.281 57.877 58.100 0.097 0.000 1.248 30 Y CB -0.355 38.202 38.460 0.161 0.000 1.270 30 Y HN 0.270 nan 8.280 nan 0.000 0.524 31 D N 0.614 120.995 120.400 -0.032 0.000 2.324 31 D HA -0.054 4.587 4.640 0.001 0.000 0.235 31 D C 1.165 177.378 176.300 -0.144 0.000 1.095 31 D CA 0.266 54.313 54.000 0.079 0.000 0.871 31 D CB -0.131 40.679 40.800 0.017 0.000 0.906 31 D HN 0.524 nan 8.370 nan 0.000 0.522 32 Q N 0.281 119.962 119.800 -0.200 0.000 2.226 32 Q HA -0.120 4.221 4.340 0.001 0.000 0.204 32 Q C 1.986 177.673 176.000 -0.521 0.000 0.975 32 Q CA 1.132 56.704 55.803 -0.385 0.000 0.866 32 Q CB -0.115 28.499 28.738 -0.207 0.000 0.915 32 Q HN 0.513 nan 8.270 nan 0.000 0.440 33 R N 0.311 120.561 120.500 -0.418 0.000 2.328 33 R HA -0.079 4.262 4.340 0.001 0.000 0.207 33 R C 1.309 177.341 176.300 -0.447 0.000 1.056 33 R CA 0.814 56.649 56.100 -0.441 0.000 1.016 33 R CB -0.281 29.702 30.300 -0.528 0.000 0.872 33 R HN 0.247 nan 8.270 nan 0.000 0.471 34 L N 2.017 122.977 121.223 -0.439 0.000 2.592 34 L HA 0.056 4.397 4.340 0.001 0.000 0.227 34 L C 2.136 178.759 176.870 -0.412 0.000 1.127 34 L CA 0.264 54.905 54.840 -0.333 0.000 0.884 34 L CB 0.019 41.955 42.059 -0.204 0.000 1.065 34 L HN 0.305 nan 8.230 nan 0.000 0.457 35 S N -0.281 115.028 115.700 -0.652 0.000 2.368 35 S HA -0.258 4.212 4.470 0.001 0.000 0.226 35 S C 1.824 176.096 174.600 -0.547 0.000 1.044 35 S CA 1.236 58.883 58.200 -0.921 0.000 1.062 35 S CB -0.210 61.814 63.200 -1.961 0.000 0.931 35 S HN 0.382 nan 8.310 nan 0.000 0.440 36 E N 1.233 121.205 120.200 -0.380 0.000 2.017 36 E HA -0.101 4.250 4.350 0.001 0.000 0.193 36 E C 2.523 179.052 176.600 -0.119 0.000 0.997 36 E CA 1.684 57.977 56.400 -0.179 0.000 0.804 36 E CB -0.892 28.746 29.700 -0.103 0.000 0.757 36 E HN 0.650 nan 8.360 nan 0.000 0.448 37 V N -0.101 119.755 119.914 -0.097 0.000 2.568 37 V HA -0.235 3.886 4.120 0.001 0.000 0.253 37 V C 2.034 178.088 176.094 -0.067 0.000 1.072 37 V CA 2.402 64.675 62.300 -0.045 0.000 1.084 37 V CB -0.697 31.137 31.823 0.018 0.000 0.676 37 V HN 0.066 nan 8.190 nan 0.000 0.469 38 D N 0.653 120.961 120.400 -0.153 0.000 2.097 38 D HA -0.133 4.508 4.640 0.001 0.000 0.197 38 D C 1.908 178.147 176.300 -0.101 0.000 0.984 38 D CA 1.949 55.835 54.000 -0.190 0.000 0.826 38 D CB -0.283 40.295 40.800 -0.369 0.000 0.973 38 D HN 0.510 nan 8.370 nan 0.000 0.460 39 I N 0.140 120.661 120.570 -0.083 0.000 2.179 39 I HA -0.258 3.913 4.170 0.001 0.000 0.242 39 I C 2.532 178.659 176.117 0.016 0.000 1.088 39 I CA 1.070 62.364 61.300 -0.010 0.000 1.357 39 I CB -0.349 37.663 38.000 0.019 0.000 1.051 39 I HN 0.152 nan 8.210 nan 0.000 0.409 40 Q N 0.373 120.176 119.800 0.006 0.000 2.135 40 Q HA -0.171 4.170 4.340 0.001 0.000 0.204 40 Q C 2.325 178.356 176.000 0.052 0.000 0.981 40 Q CA 1.626 57.444 55.803 0.026 0.000 0.856 40 Q CB -0.391 28.354 28.738 0.012 0.000 0.902 40 Q HN 0.662 nan 8.270 nan 0.000 0.425 41 G N -0.122 108.706 108.800 0.047 0.000 2.402 41 G HA2 -0.220 3.741 3.960 0.001 0.000 0.216 41 G HA3 -0.220 3.741 3.960 0.001 0.000 0.216 41 G C 1.478 176.437 174.900 0.099 0.000 1.162 41 G CA 0.840 45.984 45.100 0.074 0.000 0.777 41 G HN 0.234 nan 8.290 nan 0.000 0.539 42 S N 0.383 116.130 115.700 0.078 0.000 2.383 42 S HA -0.027 4.444 4.470 0.001 0.000 0.227 42 S C 2.405 177.088 174.600 0.138 0.000 1.026 42 S CA 1.126 59.397 58.200 0.118 0.000 0.981 42 S CB -0.211 63.038 63.200 0.082 0.000 0.818 42 S HN 0.348 nan 8.310 nan 0.000 0.472 43 M N 1.086 120.744 119.600 0.097 0.000 2.099 43 M HA -0.071 4.410 4.480 0.001 0.000 0.262 43 M C 2.598 178.950 176.300 0.088 0.000 1.067 43 M CA 1.480 56.828 55.300 0.081 0.000 1.124 43 M CB -0.679 31.956 32.600 0.058 0.000 1.353 43 M HN 0.388 nan 8.290 nan 0.000 0.410 44 A N -0.319 122.562 122.820 0.102 0.000 1.877 44 A HA -0.227 4.093 4.320 0.001 0.000 0.216 44 A C 2.037 179.697 177.584 0.127 0.000 1.186 44 A CA 1.569 53.668 52.037 0.104 0.000 0.620 44 A CB -1.159 17.913 19.000 0.119 0.000 0.822 44 A HN 0.533 nan 8.150 nan 0.000 0.443 45 Y N 0.564 120.882 120.300 0.031 0.000 2.181 45 Y HA -0.108 4.442 4.550 0.001 0.000 0.288 45 Y C 2.742 178.657 175.900 0.025 0.000 1.146 45 Y CA 1.061 59.177 58.100 0.026 0.000 1.164 45 Y CB -0.646 37.833 38.460 0.033 0.000 0.982 45 Y HN 0.329 nan 8.280 nan 0.000 0.515 46 A N 0.408 123.278 122.820 0.084 0.000 1.873 46 A HA -0.274 4.047 4.320 0.001 0.000 0.218 46 A C 2.246 179.795 177.584 -0.058 0.000 1.193 46 A CA 2.301 54.340 52.037 0.003 0.000 0.629 46 A CB -0.688 18.345 19.000 0.055 0.000 0.826 46 A HN 0.515 nan 8.150 nan 0.000 0.447 47 K N -0.482 119.904 120.400 -0.024 0.000 2.113 47 K HA -0.126 4.195 4.320 0.001 0.000 0.208 47 K C 2.166 178.724 176.600 -0.070 0.000 1.047 47 K CA 1.211 57.479 56.287 -0.031 0.000 0.928 47 K CB -0.320 32.177 32.500 -0.004 0.000 0.716 47 K HN 0.486 nan 8.250 nan 0.000 0.446 48 A N 1.034 123.783 122.820 -0.118 0.000 2.016 48 A HA -0.022 4.299 4.320 0.001 0.000 0.217 48 A C 2.019 179.470 177.584 -0.222 0.000 1.162 48 A CA 0.779 52.721 52.037 -0.158 0.000 0.662 48 A CB -0.321 18.572 19.000 -0.178 0.000 0.812 48 A HN 0.134 nan 8.150 nan 0.000 0.450 49 L N -0.672 120.373 121.223 -0.297 0.000 2.156 49 L HA -0.123 4.218 4.340 0.001 0.000 0.208 49 L C 2.693 179.487 176.870 -0.128 0.000 1.095 49 L CA 1.287 55.975 54.840 -0.253 0.000 0.770 49 L CB -0.337 41.570 42.059 -0.254 0.000 0.914 49 L HN 0.474 nan 8.230 nan 0.000 0.439 50 E N 1.187 121.330 120.200 -0.095 0.000 2.047 50 E HA -0.273 4.078 4.350 0.001 0.000 0.191 50 E C 2.083 178.651 176.600 -0.052 0.000 0.987 50 E CA 1.380 57.746 56.400 -0.056 0.000 0.799 50 E CB 0.079 29.756 29.700 -0.038 0.000 0.752 50 E HN 0.354 nan 8.360 nan 0.000 0.449 51 K N 0.031 120.396 120.400 -0.059 0.000 2.147 51 K HA -0.056 4.265 4.320 0.001 0.000 0.205 51 K C 1.762 178.332 176.600 -0.050 0.000 1.049 51 K CA 1.118 57.377 56.287 -0.047 0.000 0.936 51 K CB -0.127 32.346 32.500 -0.045 0.000 0.722 51 K HN 0.075 nan 8.250 nan 0.000 0.446 52 A N 0.200 122.979 122.820 -0.070 0.000 2.235 52 A HA 0.171 4.492 4.320 0.001 0.000 0.208 52 A C 1.340 178.896 177.584 -0.047 0.000 1.172 52 A CA 0.843 52.843 52.037 -0.062 0.000 0.786 52 A CB -0.452 18.495 19.000 -0.087 0.000 0.804 52 A HN 0.572 nan 8.150 nan 0.000 0.479 53 G N -0.848 107.925 108.800 -0.044 0.000 2.143 53 G HA2 -0.231 3.730 3.960 0.001 0.000 0.249 53 G HA3 -0.231 3.730 3.960 0.001 0.000 0.249 53 G C 0.646 175.529 174.900 -0.029 0.000 0.981 53 G CA 0.387 45.468 45.100 -0.031 0.000 0.665 53 G HN 0.337 nan 8.290 nan 0.000 0.528 54 I N -0.368 120.177 120.570 -0.041 0.000 2.852 54 I HA 0.302 4.473 4.170 0.001 0.000 0.264 54 I C 1.347 177.451 176.117 -0.023 0.000 1.179 54 I CA 1.080 62.361 61.300 -0.032 0.000 1.480 54 I CB -0.469 37.503 38.000 -0.047 0.000 1.111 54 I HN 0.214 nan 8.210 nan 0.000 0.441 55 L N -0.156 121.049 121.223 -0.029 0.000 2.371 55 L HA 0.363 4.704 4.340 0.001 0.000 0.262 55 L C 0.317 177.177 176.870 -0.016 0.000 1.006 55 L CA -0.587 54.243 54.840 -0.018 0.000 0.818 55 L CB 2.117 44.165 42.059 -0.020 0.000 1.354 55 L HN -0.015 nan 8.230 nan 0.000 0.415 56 T N -3.076 111.473 114.554 -0.008 0.000 2.912 56 T HA 0.340 4.691 4.350 0.001 0.000 0.280 56 T C 0.813 175.509 174.700 -0.006 0.000 0.989 56 T CA -0.822 61.273 62.100 -0.007 0.000 0.995 56 T CB 1.497 70.363 68.868 -0.004 0.000 1.077 56 T HN 0.547 nan 8.240 nan 0.000 0.531 57 K N 0.317 120.713 120.400 -0.005 0.000 2.103 57 K HA -0.109 4.212 4.320 0.001 0.000 0.207 57 K C 2.380 178.981 176.600 0.000 0.000 1.048 57 K CA 1.681 57.966 56.287 -0.003 0.000 0.930 57 K CB -0.779 31.719 32.500 -0.003 0.000 0.716 57 K HN 0.645 nan 8.250 nan 0.000 0.444 58 T N 1.651 116.205 114.554 0.001 0.000 2.746 58 T HA -0.138 4.213 4.350 0.001 0.000 0.267 58 T C 1.676 176.380 174.700 0.006 0.000 1.039 58 T CA 1.407 63.509 62.100 0.003 0.000 1.142 58 T CB -0.102 68.768 68.868 0.003 0.000 0.866 58 T HN 0.365 nan 8.240 nan 0.000 0.444 59 E N 0.446 120.649 120.200 0.005 0.000 2.107 59 E HA -0.041 4.310 4.350 0.001 0.000 0.191 59 E C 2.158 178.765 176.600 0.012 0.000 0.982 59 E CA 0.569 56.974 56.400 0.009 0.000 0.809 59 E CB -0.222 29.483 29.700 0.008 0.000 0.756 59 E HN 0.219 nan 8.360 nan 0.000 0.459 60 L N 1.916 123.144 121.223 0.007 0.000 2.017 60 L HA -0.196 4.145 4.340 0.001 0.000 0.208 60 L C 1.936 178.814 176.870 0.014 0.000 1.073 60 L CA 1.869 56.714 54.840 0.009 0.000 0.745 60 L CB -0.312 41.747 42.059 0.001 0.000 0.894 60 L HN 0.035 nan 8.230 nan 0.000 0.432 61 E N -0.456 119.751 120.200 0.011 0.000 2.085 61 E HA -0.262 4.088 4.350 0.001 0.000 0.194 61 E C 2.115 178.725 176.600 0.016 0.000 0.994 61 E CA 1.565 57.973 56.400 0.012 0.000 0.801 61 E CB -0.141 29.564 29.700 0.009 0.000 0.743 61 E HN 0.539 nan 8.360 nan 0.000 0.453 62 K N 0.316 120.725 120.400 0.015 0.000 2.148 62 K HA -0.091 4.230 4.320 0.001 0.000 0.204 62 K C 2.148 178.762 176.600 0.024 0.000 1.050 62 K CA 0.870 57.167 56.287 0.017 0.000 0.942 62 K CB -0.013 32.496 32.500 0.015 0.000 0.724 62 K HN 0.157 nan 8.250 nan 0.000 0.446 63 I N 1.056 121.642 120.570 0.028 0.000 2.235 63 I HA -0.247 3.924 4.170 0.001 0.000 0.241 63 I C 2.225 178.367 176.117 0.041 0.000 1.085 63 I CA 0.975 62.297 61.300 0.038 0.000 1.378 63 I CB -0.283 37.743 38.000 0.043 0.000 1.076 63 I HN 0.081 nan 8.210 nan 0.000 0.415 64 L N 0.064 121.309 121.223 0.037 0.000 2.043 64 L HA -0.286 4.055 4.340 0.001 0.000 0.212 64 L C 2.737 179.630 176.870 0.038 0.000 1.075 64 L CA 1.704 56.566 54.840 0.038 0.000 0.752 64 L CB -0.764 41.313 42.059 0.030 0.000 0.891 64 L HN 0.286 nan 8.230 nan 0.000 0.432 65 S N -0.071 115.648 115.700 0.031 0.000 2.399 65 S HA -0.112 4.359 4.470 0.001 0.000 0.231 65 S C 1.911 176.531 174.600 0.034 0.000 1.022 65 S CA 1.282 59.499 58.200 0.029 0.000 0.983 65 S CB -0.291 62.922 63.200 0.021 0.000 0.803 65 S HN 0.542 nan 8.310 nan 0.000 0.480 66 G N 0.858 109.680 108.800 0.037 0.000 2.464 66 G HA2 0.039 4.000 3.960 0.001 0.000 0.217 66 G HA3 0.039 4.000 3.960 0.001 0.000 0.217 66 G C 1.371 176.308 174.900 0.063 0.000 1.138 66 G CA 0.418 45.544 45.100 0.042 0.000 0.793 66 G HN 0.503 nan 8.290 nan 0.000 0.539 67 L N -0.094 121.169 121.223 0.067 0.000 2.068 67 L HA 0.054 4.394 4.340 0.001 0.000 0.204 67 L C 2.787 179.710 176.870 0.089 0.000 1.076 67 L CA 0.907 55.798 54.840 0.085 0.000 0.753 67 L CB -0.399 41.705 42.059 0.074 0.000 0.910 67 L HN 0.224 nan 8.230 nan 0.000 0.439 68 E N 0.338 120.579 120.200 0.068 0.000 2.160 68 E HA -0.235 4.116 4.350 0.001 0.000 0.195 68 E C 2.116 178.759 176.600 0.071 0.000 0.991 68 E CA 1.072 57.510 56.400 0.064 0.000 0.810 68 E CB 0.030 29.757 29.700 0.045 0.000 0.742 68 E HN 0.402 nan 8.360 nan 0.000 0.466 69 K N 0.398 120.837 120.400 0.064 0.000 2.057 69 K HA -0.087 4.234 4.320 0.001 0.000 0.206 69 K C 2.143 178.792 176.600 0.082 0.000 1.050 69 K CA 0.936 57.255 56.287 0.055 0.000 0.935 69 K CB -0.056 32.464 32.500 0.034 0.000 0.715 69 K HN 0.140 nan 8.250 nan 0.000 0.439 70 I N 0.707 121.353 120.570 0.127 0.000 2.252 70 I HA -0.286 3.885 4.170 0.001 0.000 0.245 70 I C 2.659 178.944 176.117 0.280 0.000 1.102 70 I CA 0.841 62.270 61.300 0.215 0.000 1.385 70 I CB -0.362 37.814 38.000 0.293 0.000 1.064 70 I HN 0.177 nan 8.210 nan 0.000 0.414 71 S N 0.800 116.640 115.700 0.234 0.000 2.368 71 S HA -0.266 4.205 4.470 0.001 0.000 0.226 71 S C 2.059 176.786 174.600 0.212 0.000 1.044 71 S CA 1.787 60.125 58.200 0.230 0.000 1.062 71 S CB -0.236 63.041 63.200 0.128 0.000 0.931 71 S HN 0.355 nan 8.310 nan 0.000 0.440 72 E N 1.022 121.303 120.200 0.134 0.000 2.038 72 E HA -0.159 4.192 4.350 0.001 0.000 0.195 72 E C 2.159 178.817 176.600 0.095 0.000 1.000 72 E CA 1.453 57.912 56.400 0.097 0.000 0.803 72 E CB -0.670 29.064 29.700 0.057 0.000 0.750 72 E HN 0.732 nan 8.360 nan 0.000 0.448 73 E N -0.541 119.699 120.200 0.065 0.000 2.187 73 E HA -0.217 4.134 4.350 0.001 0.000 0.199 73 E C 2.006 178.607 176.600 0.001 0.000 1.004 73 E CA 1.244 57.639 56.400 -0.008 0.000 0.813 73 E CB -0.268 29.392 29.700 -0.068 0.000 0.736 73 E HN 0.401 nan 8.360 nan 0.000 0.468 74 W N 0.497 121.879 121.300 0.137 0.000 2.443 74 W HA -0.055 4.607 4.660 0.002 0.000 0.296 74 W C 2.805 179.345 176.519 0.034 0.000 1.202 74 W CA 0.574 57.953 57.345 0.056 0.000 1.312 74 W CB -0.230 29.198 29.460 -0.055 0.000 1.120 74 W HN -0.083 nan 8.180 nan 0.000 0.536 75 S N 0.747 116.601 115.700 0.256 0.000 2.359 75 S HA -0.221 4.249 4.470 0.001 0.000 0.222 75 S C 1.374 176.040 174.600 0.110 0.000 1.038 75 S CA 1.612 59.902 58.200 0.150 0.000 1.051 75 S CB -0.547 62.718 63.200 0.108 0.000 0.944 75 S HN 0.273 nan 8.310 nan 0.000 0.433 76 K N 0.968 121.420 120.400 0.087 0.000 2.569 76 K HA 0.206 4.527 4.320 0.001 0.000 0.193 76 K C 1.105 177.738 176.600 0.056 0.000 1.026 76 K CA 0.415 56.735 56.287 0.056 0.000 1.093 76 K CB -0.300 32.219 32.500 0.033 0.000 0.849 76 K HN 0.448 nan 8.250 nan 0.000 0.509 77 G N 1.230 110.086 108.800 0.093 0.000 2.296 77 G HA2 -0.272 3.689 3.960 0.001 0.000 0.282 77 G HA3 -0.272 3.689 3.960 0.001 0.000 0.282 77 G C 0.771 175.691 174.900 0.034 0.000 1.014 77 G CA 0.500 45.657 45.100 0.095 0.000 0.812 77 G HN 0.244 nan 8.290 nan 0.000 0.508 78 V N -0.599 119.313 119.914 -0.004 0.000 2.788 78 V HA 0.217 4.338 4.120 0.001 0.000 0.251 78 V C 1.637 177.644 176.094 -0.143 0.000 1.068 78 V CA 0.730 62.993 62.300 -0.061 0.000 1.090 78 V CB -0.494 31.290 31.823 -0.064 0.000 0.710 78 V HN 0.481 nan 8.190 nan 0.000 0.467 79 F N 0.972 120.688 119.950 -0.390 0.000 2.637 79 F HA 0.086 4.614 4.527 0.002 0.000 0.372 79 F C 0.150 175.682 175.800 -0.446 0.000 1.107 79 F CA 0.853 58.470 58.000 -0.639 0.000 1.325 79 F CB 0.558 38.642 39.000 -1.527 0.000 1.016 79 F HN -0.108 nan 8.300 nan 0.000 0.593 80 V N 7.964 127.424 119.914 -0.757 0.000 2.444 80 V HA 0.514 4.635 4.120 0.001 0.000 0.294 80 V C -1.110 174.833 176.094 -0.253 0.000 1.022 80 V CA -0.586 61.507 62.300 -0.345 0.000 0.850 80 V CB 1.567 33.216 31.823 -0.290 0.000 0.992 80 V HN 0.598 nan 8.190 nan 0.000 0.426 81 V N 7.056 127.002 119.914 0.052 0.000 2.644 81 V HA 0.569 4.689 4.120 0.001 0.000 0.295 81 V C 0.218 176.347 176.094 0.058 0.000 1.053 81 V CA -0.548 61.849 62.300 0.161 0.000 0.987 81 V CB 1.694 33.662 31.823 0.242 0.000 1.006 81 V HN 0.844 nan 8.190 nan 0.000 0.472 82 K N 2.245 122.681 120.400 0.060 0.000 2.281 82 K HA 0.363 4.684 4.320 0.001 0.000 0.242 82 K C 0.678 177.301 176.600 0.039 0.000 0.971 82 K CA -0.693 55.610 56.287 0.027 0.000 0.834 82 K CB 1.945 34.447 32.500 0.004 0.000 1.181 82 K HN 0.566 nan 8.250 nan 0.000 0.435 83 Q N 0.422 120.237 119.800 0.025 0.000 2.443 83 Q HA -0.104 4.237 4.340 0.001 0.000 0.213 83 Q C 1.354 177.369 176.000 0.024 0.000 0.982 83 Q CA 1.522 57.339 55.803 0.024 0.000 0.894 83 Q CB 0.002 28.750 28.738 0.016 0.000 0.947 83 Q HN 0.666 nan 8.270 nan 0.000 0.480 84 S N -0.669 115.046 115.700 0.025 0.000 2.501 84 S HA -0.017 4.454 4.470 0.001 0.000 0.220 84 S C 0.391 175.012 174.600 0.034 0.000 0.997 84 S CA -0.189 58.025 58.200 0.024 0.000 0.919 84 S CB 0.180 63.392 63.200 0.019 0.000 0.778 84 S HN 0.042 nan 8.310 nan 0.000 0.523 85 D N 2.732 123.163 120.400 0.051 0.000 2.367 85 D HA 0.215 4.856 4.640 0.001 0.000 0.255 85 D C 0.707 177.033 176.300 0.043 0.000 1.300 85 D CA 0.153 54.194 54.000 0.069 0.000 0.959 85 D CB 0.949 41.820 40.800 0.118 0.000 1.064 85 D HN 0.519 nan 8.370 nan 0.000 0.509 86 E N 1.161 121.378 120.200 0.028 0.000 2.072 86 E HA -0.086 4.265 4.350 0.001 0.000 0.190 86 E C 0.149 176.741 176.600 -0.013 0.000 0.982 86 E CA 0.891 57.294 56.400 0.005 0.000 0.803 86 E CB 0.237 29.937 29.700 0.001 0.000 0.755 86 E HN 0.589 nan 8.360 nan 0.000 0.453 87 D N -1.619 118.787 120.400 0.011 0.000 2.592 87 D HA 0.117 4.758 4.640 0.001 0.000 0.263 87 D C 0.441 176.787 176.300 0.077 0.000 1.132 87 D CA -0.760 53.249 54.000 0.016 0.000 0.996 87 D CB 0.562 41.369 40.800 0.011 0.000 1.442 87 D HN -0.138 nan 8.370 nan 0.000 0.486 88 I N 0.167 120.783 120.570 0.077 0.000 2.361 88 I HA -0.201 3.970 4.170 0.001 0.000 0.251 88 I C 1.429 177.553 176.117 0.011 0.000 1.133 88 I CA 1.870 63.161 61.300 -0.014 0.000 1.413 88 I CB -0.529 37.350 38.000 -0.200 0.000 1.073 88 I HN 0.463 nan 8.210 nan 0.000 0.424 89 H N -0.546 118.493 119.070 -0.051 0.000 2.387 89 H HA -0.081 4.476 4.556 0.001 0.000 0.299 89 H C 2.217 177.535 175.328 -0.016 0.000 1.090 89 H CA 1.960 57.985 56.048 -0.037 0.000 1.332 89 H CB -1.041 28.695 29.762 -0.043 0.000 1.386 89 H HN 0.283 nan 8.280 nan 0.000 0.516 90 T N 0.038 114.673 114.554 0.135 0.000 2.942 90 T HA 0.010 4.361 4.350 0.001 0.000 0.265 90 T C 2.335 177.107 174.700 0.121 0.000 1.062 90 T CA 0.866 63.016 62.100 0.083 0.000 1.139 90 T CB -0.326 68.577 68.868 0.058 0.000 0.883 90 T HN 0.488 nan 8.240 nan 0.000 0.468 91 A N 2.293 125.213 122.820 0.167 0.000 1.877 91 A HA -0.159 4.162 4.320 0.001 0.000 0.216 91 A C 2.139 179.961 177.584 0.396 0.000 1.186 91 A CA 1.818 54.035 52.037 0.299 0.000 0.620 91 A CB -0.790 18.415 19.000 0.342 0.000 0.822 91 A HN 0.593 nan 8.150 nan 0.000 0.443 92 N N -0.740 118.119 118.700 0.266 0.000 2.109 92 N HA -0.127 4.614 4.740 0.001 0.000 0.188 92 N C 1.756 177.375 175.510 0.182 0.000 1.034 92 N CA 1.192 54.404 53.050 0.268 0.000 0.846 92 N CB -0.208 38.362 38.487 0.139 0.000 1.010 92 N HN 0.569 nan 8.380 nan 0.000 0.425 93 E N 0.833 121.093 120.200 0.100 0.000 2.160 93 E HA -0.225 4.126 4.350 0.001 0.000 0.195 93 E C 2.076 178.709 176.600 0.056 0.000 0.991 93 E CA 0.721 57.150 56.400 0.048 0.000 0.810 93 E CB -0.004 29.681 29.700 -0.024 0.000 0.742 93 E HN 0.290 nan 8.360 nan 0.000 0.466 94 R N 1.236 121.784 120.500 0.080 0.000 2.062 94 R HA -0.141 4.199 4.340 0.001 0.000 0.229 94 R C 2.373 178.706 176.300 0.055 0.000 1.128 94 R CA 1.494 57.630 56.100 0.059 0.000 0.960 94 R CB -0.097 30.243 30.300 0.067 0.000 0.855 94 R HN -0.046 nan 8.270 nan 0.000 0.432 95 R N 0.827 121.389 120.500 0.103 0.000 2.091 95 R HA -0.153 4.187 4.340 0.001 0.000 0.238 95 R C 2.251 178.577 176.300 0.044 0.000 1.136 95 R CA 1.636 57.765 56.100 0.049 0.000 0.959 95 R CB -0.838 29.552 30.300 0.149 0.000 0.856 95 R HN 0.324 nan 8.270 nan 0.000 0.437 96 L N 1.080 122.353 121.223 0.082 0.000 2.083 96 L HA -0.095 4.246 4.340 0.001 0.000 0.209 96 L C 2.236 179.127 176.870 0.034 0.000 1.083 96 L CA 1.992 56.869 54.840 0.061 0.000 0.752 96 L CB -0.577 41.525 42.059 0.072 0.000 0.899 96 L HN 0.290 nan 8.230 nan 0.000 0.433 97 K N -0.492 119.926 120.400 0.029 0.000 2.097 97 K HA -0.205 4.116 4.320 0.001 0.000 0.206 97 K C 1.868 178.471 176.600 0.004 0.000 1.049 97 K CA 1.803 58.100 56.287 0.017 0.000 0.933 97 K CB -0.062 32.446 32.500 0.014 0.000 0.717 97 K HN 0.534 nan 8.250 nan 0.000 0.442 98 E N 0.259 120.456 120.200 -0.005 0.000 2.072 98 E HA -0.187 4.164 4.350 0.001 0.000 0.191 98 E C 2.021 178.609 176.600 -0.021 0.000 0.985 98 E CA 0.900 57.286 56.400 -0.023 0.000 0.801 98 E CB -0.010 29.662 29.700 -0.048 0.000 0.750 98 E HN 0.132 nan 8.360 nan 0.000 0.452 99 L N 0.622 121.836 121.223 -0.015 0.000 1.988 99 L HA -0.094 4.247 4.340 0.001 0.000 0.207 99 L C 2.258 179.127 176.870 -0.002 0.000 1.071 99 L CA 1.532 56.365 54.840 -0.011 0.000 0.744 99 L CB -0.391 41.667 42.059 -0.002 0.000 0.893 99 L HN 0.240 nan 8.230 nan 0.000 0.433 100 I N -3.270 117.305 120.570 0.008 0.000 3.877 100 I HA 0.559 4.730 4.170 0.001 0.000 0.332 100 I C 0.789 176.912 176.117 0.010 0.000 1.525 100 I CA -0.116 61.190 61.300 0.010 0.000 1.146 100 I CB -0.592 37.419 38.000 0.018 0.000 1.137 100 I HN 0.215 nan 8.210 nan 0.000 0.424 101 G N 3.169 111.973 108.800 0.006 0.000 2.877 101 G HA2 -0.346 3.614 3.960 0.001 0.000 0.279 101 G HA3 -0.346 3.614 3.960 0.001 0.000 0.279 101 G C 0.077 174.985 174.900 0.012 0.000 1.431 101 G CA 0.285 45.389 45.100 0.007 0.000 0.883 101 G HN 0.762 nan 8.290 nan 0.000 0.547 102 D N -0.804 119.603 120.400 0.012 0.000 2.407 102 D HA -0.035 4.606 4.640 0.001 0.000 0.234 102 D C 1.931 178.243 176.300 0.021 0.000 1.029 102 D CA 0.833 54.843 54.000 0.016 0.000 0.937 102 D CB 0.024 40.832 40.800 0.014 0.000 0.882 102 D HN 0.649 nan 8.370 nan 0.000 0.531 103 I N -0.372 120.210 120.570 0.021 0.000 2.830 103 I HA -0.136 4.035 4.170 0.001 0.000 0.263 103 I C 2.029 178.166 176.117 0.034 0.000 1.230 103 I CA 0.532 61.847 61.300 0.025 0.000 1.480 103 I CB 0.028 38.040 38.000 0.021 0.000 1.095 103 I HN 0.126 nan 8.210 nan 0.000 0.455 104 A N 0.796 123.637 122.820 0.034 0.000 1.978 104 A HA -0.157 4.164 4.320 0.001 0.000 0.220 104 A C 2.345 179.962 177.584 0.054 0.000 1.170 104 A CA 1.599 53.662 52.037 0.044 0.000 0.636 104 A CB -1.497 17.525 19.000 0.036 0.000 0.810 104 A HN 0.507 nan 8.150 nan 0.000 0.448 105 G N 0.051 108.879 108.800 0.047 0.000 2.475 105 G HA2 -0.298 3.663 3.960 0.001 0.000 0.220 105 G HA3 -0.298 3.663 3.960 0.001 0.000 0.220 105 G C 1.593 176.549 174.900 0.092 0.000 1.125 105 G CA 1.196 46.333 45.100 0.061 0.000 0.755 105 G HN 0.645 nan 8.290 nan 0.000 0.565 106 K N -0.379 120.069 120.400 0.079 0.000 2.209 106 K HA 0.017 4.338 4.320 0.001 0.000 0.204 106 K C 2.266 178.941 176.600 0.126 0.000 1.048 106 K CA 0.679 57.017 56.287 0.085 0.000 0.940 106 K CB -0.250 32.281 32.500 0.053 0.000 0.729 106 K HN 0.289 nan 8.250 nan 0.000 0.451 107 L N 0.993 122.300 121.223 0.141 0.000 2.189 107 L HA -0.204 4.137 4.340 0.001 0.000 0.214 107 L C 1.887 178.959 176.870 0.337 0.000 1.097 107 L CA 1.831 56.794 54.840 0.205 0.000 0.764 107 L CB -0.504 41.655 42.059 0.167 0.000 0.900 107 L HN 0.295 nan 8.230 nan 0.000 0.436 108 H N -1.493 117.659 119.070 0.137 0.000 2.548 108 H HA 0.078 4.635 4.556 0.001 0.000 0.265 108 H C -0.021 175.391 175.328 0.140 0.000 0.969 108 H CA 0.140 56.253 56.048 0.107 0.000 1.155 108 H CB 0.177 29.969 29.762 0.049 0.000 1.394 108 H HN 0.268 nan 8.280 nan 0.000 0.570 109 T N 0.298 114.979 114.554 0.213 0.000 2.822 109 T HA 0.051 4.402 4.350 0.001 0.000 0.288 109 T C 1.239 176.040 174.700 0.168 0.000 0.991 109 T CA 0.911 63.089 62.100 0.130 0.000 1.176 109 T CB 0.290 69.215 68.868 0.095 0.000 0.951 109 T HN 0.668 nan 8.240 nan 0.000 0.526 110 G N 3.119 111.953 108.800 0.057 0.000 2.212 110 G HA2 -0.292 3.669 3.960 0.001 0.000 0.266 110 G HA3 -0.292 3.669 3.960 0.001 0.000 0.266 110 G C 0.291 175.185 174.900 -0.009 0.000 0.978 110 G CA 0.481 45.620 45.100 0.065 0.000 0.632 110 G HN 0.796 nan 8.290 nan 0.000 0.537 111 R N 0.343 120.737 120.500 -0.176 0.000 2.573 111 R HA 0.679 5.020 4.340 0.001 0.000 0.272 111 R C -0.038 175.931 176.300 -0.553 0.000 1.009 111 R CA 0.296 56.122 56.100 -0.458 0.000 1.059 111 R CB 1.307 31.175 30.300 -0.721 0.000 1.112 111 R HN 0.448 nan 8.270 nan 0.000 0.517 112 S N 0.639 116.105 115.700 -0.391 0.000 2.588 112 S HA 0.328 4.799 4.470 0.001 0.000 0.275 112 S C 0.526 175.033 174.600 -0.156 0.000 1.130 112 S CA -0.895 57.134 58.200 -0.285 0.000 0.855 112 S CB 1.816 64.884 63.200 -0.220 0.000 1.116 112 S HN 0.679 nan 8.310 nan 0.000 0.472 113 R N 2.397 122.835 120.500 -0.105 0.000 2.105 113 R HA -0.093 4.248 4.340 0.001 0.000 0.239 113 R C 1.705 177.867 176.300 -0.230 0.000 1.135 113 R CA 2.143 58.160 56.100 -0.139 0.000 0.967 113 R CB -1.458 28.731 30.300 -0.184 0.000 0.861 113 R HN 0.800 nan 8.270 nan 0.000 0.442 114 N N 0.771 119.272 118.700 -0.332 0.000 2.036 114 N HA -0.193 4.547 4.740 0.001 0.000 0.195 114 N C 1.192 176.590 175.510 -0.187 0.000 1.037 114 N CA 1.674 54.489 53.050 -0.393 0.000 0.855 114 N CB -0.196 38.040 38.487 -0.419 0.000 1.033 114 N HN 0.394 nan 8.380 nan 0.000 0.423 115 D N 0.090 120.398 120.400 -0.153 0.000 2.354 115 D HA -0.115 4.526 4.640 0.001 0.000 0.209 115 D C 1.656 177.900 176.300 -0.093 0.000 1.015 115 D CA 0.474 54.407 54.000 -0.111 0.000 0.867 115 D CB -0.251 40.475 40.800 -0.122 0.000 0.933 115 D HN 0.364 nan 8.370 nan 0.000 0.520 116 Q N 0.500 120.251 119.800 -0.081 0.000 2.212 116 Q HA -0.024 4.317 4.340 0.001 0.000 0.199 116 Q C 2.003 178.057 176.000 0.090 0.000 0.950 116 Q CA 0.549 56.345 55.803 -0.012 0.000 0.863 116 Q CB 0.262 29.020 28.738 0.033 0.000 0.944 116 Q HN 0.123 nan 8.270 nan 0.000 0.465 117 V N 0.085 120.036 119.914 0.061 0.000 2.548 117 V HA -0.119 4.002 4.120 0.001 0.000 0.249 117 V C 1.968 178.136 176.094 0.124 0.000 1.055 117 V CA 1.441 63.813 62.300 0.120 0.000 1.065 117 V CB 0.406 32.211 31.823 -0.029 0.000 0.681 117 V HN 0.390 nan 8.190 nan 0.000 0.462 118 V N -0.668 119.293 119.914 0.079 0.000 2.951 118 V HA -0.107 4.014 4.120 0.001 0.000 0.255 118 V C 2.343 178.444 176.094 0.011 0.000 1.088 118 V CA 2.334 64.692 62.300 0.096 0.000 1.109 118 V CB -0.093 31.784 31.823 0.089 0.000 0.724 118 V HN 0.695 nan 8.190 nan 0.000 0.471 119 T N 0.275 114.834 114.554 0.009 0.000 2.737 119 T HA -0.130 4.221 4.350 0.001 0.000 0.265 119 T C 1.540 176.308 174.700 0.113 0.000 1.038 119 T CA 1.729 63.839 62.100 0.017 0.000 1.144 119 T CB -0.317 68.552 68.868 0.001 0.000 0.866 119 T HN 0.551 nan 8.240 nan 0.000 0.434 120 D N 1.086 121.550 120.400 0.107 0.000 2.117 120 D HA -0.040 4.601 4.640 0.001 0.000 0.197 120 D C 2.050 178.454 176.300 0.174 0.000 0.987 120 D CA 0.570 54.638 54.000 0.112 0.000 0.829 120 D CB -0.448 40.392 40.800 0.066 0.000 0.961 120 D HN 0.159 nan 8.370 nan 0.000 0.460 121 L N 1.252 122.588 121.223 0.188 0.000 2.046 121 L HA -0.139 4.202 4.340 0.001 0.000 0.208 121 L C 2.010 179.036 176.870 0.260 0.000 1.077 121 L CA 1.752 56.756 54.840 0.274 0.000 0.747 121 L CB -0.303 41.956 42.059 0.332 0.000 0.896 121 L HN -0.133 nan 8.230 nan 0.000 0.432 122 K N -0.998 119.447 120.400 0.074 0.000 2.057 122 K HA -0.121 4.200 4.320 0.001 0.000 0.206 122 K C 2.094 178.739 176.600 0.075 0.000 1.050 122 K CA 1.391 57.669 56.287 -0.016 0.000 0.935 122 K CB -0.262 32.176 32.500 -0.102 0.000 0.715 122 K HN 0.299 nan 8.250 nan 0.000 0.439 123 L N 0.050 121.350 121.223 0.128 0.000 2.012 123 L HA -0.207 4.134 4.340 0.001 0.000 0.210 123 L C 2.404 179.286 176.870 0.020 0.000 1.073 123 L CA 1.226 56.069 54.840 0.006 0.000 0.748 123 L CB -0.443 41.643 42.059 0.045 0.000 0.891 123 L HN 0.136 nan 8.230 nan 0.000 0.431 124 F N 0.457 120.399 119.950 -0.014 0.000 2.102 124 F HA -0.261 4.267 4.527 0.002 0.000 0.298 124 F C 2.449 178.233 175.800 -0.026 0.000 1.105 124 F CA 1.661 59.657 58.000 -0.007 0.000 1.239 124 F CB -0.197 38.847 39.000 0.073 0.000 0.991 124 F HN -0.060 nan 8.300 nan 0.000 0.474 125 M N 0.085 119.656 119.600 -0.048 0.000 2.229 125 M HA -0.185 4.295 4.480 0.001 0.000 0.264 125 M C 2.324 178.472 176.300 -0.253 0.000 1.063 125 M CA 1.676 56.839 55.300 -0.228 0.000 1.114 125 M CB -0.459 32.110 32.600 -0.052 0.000 1.387 125 M HN 0.141 nan 8.290 nan 0.000 0.420 126 K N 0.635 120.930 120.400 -0.175 0.000 2.026 126 K HA -0.205 4.115 4.320 0.001 0.000 0.208 126 K C 1.902 178.379 176.600 -0.205 0.000 1.048 126 K CA 1.436 57.616 56.287 -0.178 0.000 0.929 126 K CB -0.205 32.173 32.500 -0.204 0.000 0.713 126 K HN 0.288 nan 8.250 nan 0.000 0.439 127 N N 0.272 118.831 118.700 -0.234 0.000 2.058 127 N HA -0.120 4.621 4.740 0.001 0.000 0.191 127 N C 1.693 177.045 175.510 -0.263 0.000 1.037 127 N CA 1.607 54.521 53.050 -0.226 0.000 0.848 127 N CB -0.129 38.231 38.487 -0.212 0.000 1.021 127 N HN 0.114 nan 8.380 nan 0.000 0.422 128 S N 1.309 116.756 115.700 -0.421 0.000 2.365 128 S HA -0.069 4.402 4.470 0.001 0.000 0.225 128 S C 2.102 176.583 174.600 -0.199 0.000 1.039 128 S CA 0.782 58.741 58.200 -0.402 0.000 1.033 128 S CB -0.301 62.486 63.200 -0.688 0.000 0.887 128 S HN 0.322 nan 8.310 nan 0.000 0.447 129 L N 0.717 121.823 121.223 -0.195 0.000 2.131 129 L HA -0.091 4.250 4.340 0.001 0.000 0.210 129 L C 2.641 179.468 176.870 -0.070 0.000 1.092 129 L CA 0.845 55.633 54.840 -0.085 0.000 0.759 129 L CB -0.457 41.536 42.059 -0.110 0.000 0.903 129 L HN 0.309 nan 8.230 nan 0.000 0.435 130 S N 0.093 115.728 115.700 -0.109 0.000 2.368 130 S HA -0.138 4.332 4.470 0.001 0.000 0.225 130 S C 1.911 176.456 174.600 -0.093 0.000 1.030 130 S CA 1.146 59.287 58.200 -0.099 0.000 0.999 130 S CB -0.119 63.013 63.200 -0.114 0.000 0.844 130 S HN 0.291 nan 8.310 nan 0.000 0.459 131 I N 0.866 121.379 120.570 -0.095 0.000 2.315 131 I HA -0.140 4.031 4.170 0.001 0.000 0.248 131 I C 1.949 178.028 176.117 -0.063 0.000 1.117 131 I CA 1.009 62.244 61.300 -0.108 0.000 1.404 131 I CB -0.259 37.706 38.000 -0.057 0.000 1.071 131 I HN 0.314 nan 8.210 nan 0.000 0.419 132 I N -0.314 120.291 120.570 0.057 0.000 2.252 132 I HA -0.287 3.884 4.170 0.001 0.000 0.245 132 I C 2.763 178.959 176.117 0.131 0.000 1.102 132 I CA 1.140 62.547 61.300 0.178 0.000 1.385 132 I CB -0.334 37.826 38.000 0.267 0.000 1.064 132 I HN 0.191 nan 8.210 nan 0.000 0.414 133 S N 0.363 116.093 115.700 0.051 0.000 2.359 133 S HA -0.238 4.233 4.470 0.001 0.000 0.223 133 S C 2.106 176.709 174.600 0.004 0.000 1.039 133 S CA 2.468 60.683 58.200 0.026 0.000 1.042 133 S CB -0.403 62.782 63.200 -0.025 0.000 0.915 133 S HN 0.431 nan 8.310 nan 0.000 0.439 134 T N 0.984 115.496 114.554 -0.071 0.000 2.607 134 T HA -0.167 4.184 4.350 0.001 0.000 0.267 134 T C 1.479 176.135 174.700 -0.074 0.000 1.049 134 T CA 2.141 64.167 62.100 -0.124 0.000 1.162 134 T CB -0.783 67.928 68.868 -0.260 0.000 0.863 134 T HN 0.690 nan 8.240 nan 0.000 0.424 135 H N 0.164 119.255 119.070 0.034 0.000 2.387 135 H HA 0.073 4.629 4.556 0.001 0.000 0.299 135 H C 2.351 177.703 175.328 0.040 0.000 1.090 135 H CA 0.935 57.005 56.048 0.037 0.000 1.332 135 H CB -0.135 29.655 29.762 0.046 0.000 1.386 135 H HN 0.133 nan 8.280 nan 0.000 0.516 136 L N 0.134 121.461 121.223 0.174 0.000 2.056 136 L HA -0.177 4.164 4.340 0.001 0.000 0.207 136 L C 1.759 178.678 176.870 0.081 0.000 1.078 136 L CA 0.810 55.728 54.840 0.129 0.000 0.749 136 L CB -0.066 42.090 42.059 0.162 0.000 0.901 136 L HN 0.288 nan 8.230 nan 0.000 0.433 137 L N -0.218 121.042 121.223 0.062 0.000 2.083 137 L HA -0.225 4.116 4.340 0.001 0.000 0.209 137 L C 2.477 179.365 176.870 0.030 0.000 1.083 137 L CA 1.549 56.409 54.840 0.033 0.000 0.752 137 L CB -1.146 40.922 42.059 0.014 0.000 0.899 137 L HN 0.343 nan 8.230 nan 0.000 0.433 138 Q N -0.779 119.048 119.800 0.046 0.000 2.224 138 Q HA -0.151 4.190 4.340 0.001 0.000 0.203 138 Q C 2.183 178.205 176.000 0.036 0.000 0.970 138 Q CA 1.316 57.147 55.803 0.047 0.000 0.865 138 Q CB -0.242 28.545 28.738 0.082 0.000 0.922 138 Q HN 0.477 nan 8.270 nan 0.000 0.445 139 L N -0.643 120.603 121.223 0.037 0.000 2.023 139 L HA -0.103 4.238 4.340 0.001 0.000 0.205 139 L C 2.030 178.894 176.870 -0.010 0.000 1.073 139 L CA 1.154 55.998 54.840 0.007 0.000 0.745 139 L CB -0.271 41.791 42.059 0.005 0.000 0.900 139 L HN 0.313 nan 8.230 nan 0.000 0.435 140 I N 0.147 120.716 120.570 -0.002 0.000 2.151 140 I HA -0.398 3.773 4.170 0.001 0.000 0.243 140 I C 2.609 178.714 176.117 -0.020 0.000 1.080 140 I CA 1.536 62.826 61.300 -0.017 0.000 1.339 140 I CB -0.365 37.631 38.000 -0.007 0.000 1.039 140 I HN 0.287 nan 8.210 nan 0.000 0.409 141 K N 0.359 120.755 120.400 -0.007 0.000 2.032 141 K HA -0.190 4.131 4.320 0.001 0.000 0.209 141 K C 2.097 178.693 176.600 -0.006 0.000 1.048 141 K CA 2.126 58.410 56.287 -0.005 0.000 0.927 141 K CB -0.119 32.383 32.500 0.004 0.000 0.712 141 K HN 0.294 nan 8.250 nan 0.000 0.441 142 T N 1.661 116.212 114.554 -0.005 0.000 2.720 142 T HA -0.146 4.205 4.350 0.001 0.000 0.268 142 T C 1.780 176.471 174.700 -0.016 0.000 1.037 142 T CA 1.208 63.305 62.100 -0.004 0.000 1.144 142 T CB -0.138 68.725 68.868 -0.008 0.000 0.864 142 T HN 0.140 nan 8.240 nan 0.000 0.444 143 L N 0.478 121.679 121.223 -0.037 0.000 2.056 143 L HA -0.084 4.257 4.340 0.001 0.000 0.207 143 L C 2.681 179.514 176.870 -0.062 0.000 1.078 143 L CA 0.906 55.708 54.840 -0.064 0.000 0.749 143 L CB -0.570 41.436 42.059 -0.089 0.000 0.901 143 L HN 0.144 nan 8.230 nan 0.000 0.433 144 V N -0.531 119.354 119.914 -0.047 0.000 2.261 144 V HA -0.245 3.876 4.120 0.001 0.000 0.246 144 V C 2.524 178.605 176.094 -0.022 0.000 1.047 144 V CA 1.628 63.903 62.300 -0.041 0.000 1.015 144 V CB -0.461 31.343 31.823 -0.031 0.000 0.642 144 V HN 0.415 nan 8.190 nan 0.000 0.446 145 E N -0.032 120.163 120.200 -0.008 0.000 2.110 145 E HA -0.233 4.117 4.350 0.001 0.000 0.193 145 E C 2.285 178.897 176.600 0.020 0.000 0.988 145 E CA 1.248 57.652 56.400 0.008 0.000 0.804 145 E CB -0.334 29.374 29.700 0.014 0.000 0.745 145 E HN 0.521 nan 8.360 nan 0.000 0.458 146 R N 0.707 121.219 120.500 0.020 0.000 2.092 146 R HA -0.050 4.291 4.340 0.001 0.000 0.231 146 R C 2.189 178.517 176.300 0.048 0.000 1.119 146 R CA 1.355 57.487 56.100 0.053 0.000 0.970 146 R CB -0.253 30.088 30.300 0.068 0.000 0.864 146 R HN 0.130 nan 8.270 nan 0.000 0.440 147 A N 0.422 123.235 122.820 -0.012 0.000 1.940 147 A HA -0.121 4.200 4.320 0.001 0.000 0.219 147 A C 2.325 179.917 177.584 0.013 0.000 1.176 147 A CA 1.758 53.775 52.037 -0.034 0.000 0.631 147 A CB -0.852 18.102 19.000 -0.076 0.000 0.814 147 A HN 0.534 nan 8.150 nan 0.000 0.446 148 A N -0.109 122.721 122.820 0.017 0.000 1.872 148 A HA 0.002 4.323 4.320 0.001 0.000 0.214 148 A C 2.111 179.722 177.584 0.045 0.000 1.187 148 A CA 1.342 53.394 52.037 0.026 0.000 0.614 148 A CB -0.557 18.453 19.000 0.018 0.000 0.826 148 A HN 0.473 nan 8.150 nan 0.000 0.442 149 I N -0.201 120.402 120.570 0.055 0.000 2.208 149 I HA -0.224 3.947 4.170 0.001 0.000 0.245 149 I C 1.210 177.381 176.117 0.089 0.000 1.097 149 I CA 1.433 62.773 61.300 0.066 0.000 1.363 149 I CB -0.304 37.738 38.000 0.070 0.000 1.051 149 I HN 0.393 nan 8.210 nan 0.000 0.413 150 E N 0.547 120.826 120.200 0.132 0.000 2.511 150 E HA 0.139 4.490 4.350 0.001 0.000 0.214 150 E C 1.468 178.182 176.600 0.189 0.000 1.062 150 E CA -0.152 56.359 56.400 0.186 0.000 1.213 150 E CB 0.372 30.267 29.700 0.326 0.000 1.214 150 E HN 0.474 nan 8.360 nan 0.000 0.441 151 I N 0.925 121.564 120.570 0.115 0.000 2.614 151 I HA -0.229 3.941 4.170 0.001 0.000 0.258 151 I C 1.011 177.183 176.117 0.092 0.000 1.189 151 I CA 1.212 62.567 61.300 0.091 0.000 1.462 151 I CB 0.331 38.365 38.000 0.057 0.000 1.092 151 I HN 0.087 nan 8.210 nan 0.000 0.442 152 D N 0.463 120.915 120.400 0.086 0.000 2.234 152 D HA 0.008 4.649 4.640 0.001 0.000 0.205 152 D C 0.932 177.276 176.300 0.074 0.000 0.962 152 D CA 0.432 54.474 54.000 0.071 0.000 0.855 152 D CB -0.081 40.751 40.800 0.054 0.000 0.951 152 D HN 0.121 nan 8.370 nan 0.000 0.500 153 V N 2.024 121.994 119.914 0.093 0.000 2.694 153 V HA -0.040 4.081 4.120 0.001 0.000 0.306 153 V C 0.402 176.540 176.094 0.073 0.000 1.054 153 V CA -0.030 62.307 62.300 0.062 0.000 1.161 153 V CB 0.682 32.533 31.823 0.046 0.000 0.916 153 V HN -0.012 nan 8.190 nan 0.000 0.490 154 I N 6.427 126.995 120.570 -0.004 0.000 2.569 154 I HA 0.819 4.990 4.170 0.001 0.000 0.296 154 I C -0.591 175.432 176.117 -0.157 0.000 1.028 154 I CA -0.324 60.955 61.300 -0.035 0.000 1.082 154 I CB 1.575 39.565 38.000 -0.016 0.000 1.264 154 I HN 0.691 nan 8.210 nan 0.000 0.429 155 L N 5.279 126.385 121.223 -0.194 0.000 2.801 155 L HA 0.822 5.163 4.340 0.001 0.000 0.264 155 L C -2.931 173.757 176.870 -0.304 0.000 1.086 155 L CA -1.943 52.685 54.840 -0.354 0.000 0.920 155 L CB 1.878 43.599 42.059 -0.564 0.000 1.529 155 L HN 0.275 nan 8.230 nan 0.000 0.399 156 P HA 0.295 nan 4.420 nan 0.000 0.271 156 P C -0.721 176.425 177.300 -0.256 0.000 1.216 156 P CA 0.094 63.002 63.100 -0.320 0.000 0.776 156 P CB 1.008 32.507 31.700 -0.336 0.000 0.881 157 G N 1.908 110.546 108.800 -0.270 0.000 2.379 157 G HA2 0.520 4.480 3.960 0.001 0.000 0.327 157 G HA3 0.520 4.480 3.960 0.001 0.000 0.327 157 G C -1.569 173.221 174.900 -0.183 0.000 1.145 157 G CA -0.188 44.861 45.100 -0.085 0.000 0.905 157 G HN 0.302 nan 8.290 nan 0.000 0.466 158 Y N 0.404 120.776 120.300 0.120 0.000 2.420 158 Y HA 0.639 5.190 4.550 0.001 0.000 0.334 158 Y C 0.742 176.682 175.900 0.067 0.000 1.094 158 Y CA -0.761 57.418 58.100 0.132 0.000 1.126 158 Y CB 2.658 41.247 38.460 0.214 0.000 1.217 158 Y HN 0.597 nan 8.280 nan 0.000 0.462 159 T N -0.313 114.354 114.554 0.188 0.000 3.031 159 T HA 0.332 4.683 4.350 0.001 0.000 0.305 159 T C -0.844 173.911 174.700 0.091 0.000 0.985 159 T CA -0.701 61.403 62.100 0.008 0.000 1.008 159 T CB 0.440 69.278 68.868 -0.050 0.000 1.005 159 T HN 0.895 nan 8.240 nan 0.000 0.444 160 H N 1.631 120.784 119.070 0.138 0.000 3.022 160 H HA -0.126 4.431 4.556 0.002 0.000 0.258 160 H C 0.874 176.300 175.328 0.162 0.000 1.212 160 H CA 0.620 56.739 56.048 0.118 0.000 1.126 160 H CB -1.456 28.364 29.762 0.096 0.000 1.267 160 H HN 0.913 nan 8.280 nan 0.000 0.345 161 L N -0.821 120.581 121.223 0.299 0.000 3.843 161 L HA -0.258 4.083 4.340 0.001 0.000 0.411 161 L C -0.220 176.952 176.870 0.503 0.000 1.205 161 L CA 1.520 56.565 54.840 0.342 0.000 0.945 161 L CB -0.484 41.687 42.059 0.186 0.000 1.929 161 L HN 0.441 nan 8.230 nan 0.000 0.934 162 Q N 0.443 120.536 119.800 0.487 0.000 2.337 162 Q HA 0.376 4.717 4.340 0.001 0.000 0.270 162 Q C -0.056 176.035 176.000 0.150 0.000 1.043 162 Q CA -0.800 55.202 55.803 0.332 0.000 0.794 162 Q CB 1.826 30.696 28.738 0.219 0.000 1.281 162 Q HN 0.265 nan 8.270 nan 0.000 0.446 163 K N 1.067 121.445 120.400 -0.037 0.000 2.473 163 K HA 0.026 4.347 4.320 0.001 0.000 0.277 163 K C 0.478 176.995 176.600 -0.138 0.000 1.052 163 K CA 0.390 56.496 56.287 -0.301 0.000 1.114 163 K CB 0.436 32.812 32.500 -0.206 0.000 0.869 163 K HN 0.685 nan 8.250 nan 0.000 0.481 164 A N 3.830 126.551 122.820 -0.166 0.000 1.970 164 A HA 0.012 4.332 4.320 0.001 0.000 0.204 164 A C 0.077 177.627 177.584 -0.056 0.000 1.325 164 A CA 0.574 52.575 52.037 -0.059 0.000 0.767 164 A CB 0.347 19.329 19.000 -0.029 0.000 0.949 164 A HN 0.810 nan 8.150 nan 0.000 0.481 165 Q N -1.515 118.225 119.800 -0.100 0.000 2.736 165 Q HA 0.346 4.687 4.340 0.001 0.000 0.273 165 Q C -3.286 172.652 176.000 -0.104 0.000 0.948 165 Q CA -1.843 53.922 55.803 -0.063 0.000 0.854 165 Q CB 0.735 29.472 28.738 -0.002 0.000 1.569 165 Q HN -0.008 nan 8.270 nan 0.000 0.405 166 P HA 0.152 nan 4.420 nan 0.000 0.265 166 P C -0.738 176.523 177.300 -0.065 0.000 1.193 166 P CA 0.401 63.434 63.100 -0.112 0.000 0.765 166 P CB 0.234 31.898 31.700 -0.060 0.000 0.823 167 I N -1.103 119.420 120.570 -0.078 0.000 2.894 167 I HA 0.571 4.742 4.170 0.001 0.000 0.302 167 I C -0.577 175.542 176.117 0.004 0.000 1.188 167 I CA -1.649 59.624 61.300 -0.045 0.000 1.014 167 I CB 2.494 40.466 38.000 -0.046 0.000 1.242 167 I HN 0.055 nan 8.210 nan 0.000 0.430 168 R N 2.980 123.502 120.500 0.037 0.000 2.490 168 R HA 0.065 4.406 4.340 0.001 0.000 0.280 168 R C 0.657 177.045 176.300 0.147 0.000 1.077 168 R CA -0.335 55.815 56.100 0.083 0.000 1.065 168 R CB 0.968 31.312 30.300 0.073 0.000 1.003 168 R HN 0.910 nan 8.270 nan 0.000 0.470 169 W N 3.293 124.576 121.300 -0.027 0.000 2.342 169 W HA -0.227 4.435 4.660 0.003 0.000 0.297 169 W C 0.700 177.296 176.519 0.128 0.000 1.213 169 W CA 1.535 58.881 57.345 0.002 0.000 1.251 169 W CB 0.058 29.487 29.460 -0.052 0.000 1.136 169 W HN 0.501 nan 8.180 nan 0.000 0.526 170 S N 0.651 116.347 115.700 -0.006 0.000 2.402 170 S HA -0.287 4.183 4.470 0.001 0.000 0.229 170 S C 1.577 176.098 174.600 -0.130 0.000 1.021 170 S CA 1.829 59.939 58.200 -0.150 0.000 0.974 170 S CB -0.469 62.718 63.200 -0.023 0.000 0.800 170 S HN 0.361 nan 8.310 nan 0.000 0.484 171 Q N 0.744 120.518 119.800 -0.044 0.000 2.181 171 Q HA -0.113 4.227 4.340 0.001 0.000 0.205 171 Q C 1.667 177.622 176.000 -0.074 0.000 0.980 171 Q CA 1.508 57.280 55.803 -0.052 0.000 0.862 171 Q CB -0.478 28.247 28.738 -0.022 0.000 0.905 171 Q HN 0.577 nan 8.270 nan 0.000 0.429 172 F N -0.292 119.534 119.950 -0.207 0.000 2.098 172 F HA -0.040 4.489 4.527 0.002 0.000 0.294 172 F C 1.496 177.140 175.800 -0.259 0.000 1.107 172 F CA 1.231 59.103 58.000 -0.213 0.000 1.234 172 F CB -0.245 38.658 39.000 -0.161 0.000 1.002 172 F HN 0.098 nan 8.300 nan 0.000 0.472 173 L N 0.172 121.096 121.223 -0.498 0.000 2.042 173 L HA -0.249 4.092 4.340 0.001 0.000 0.210 173 L C 2.480 179.143 176.870 -0.345 0.000 1.076 173 L CA 1.255 55.794 54.840 -0.502 0.000 0.749 173 L CB -0.843 40.943 42.059 -0.454 0.000 0.893 173 L HN 0.257 nan 8.230 nan 0.000 0.432 174 L N -0.426 120.629 121.223 -0.280 0.000 2.201 174 L HA -0.163 4.178 4.340 0.001 0.000 0.212 174 L C 2.821 179.541 176.870 -0.250 0.000 1.105 174 L CA 1.312 56.025 54.840 -0.211 0.000 0.775 174 L CB -0.625 41.343 42.059 -0.152 0.000 0.913 174 L HN 0.407 nan 8.230 nan 0.000 0.440 175 S N -1.779 113.708 115.700 -0.355 0.000 2.423 175 S HA -0.178 4.293 4.470 0.001 0.000 0.231 175 S C 1.846 176.157 174.600 -0.482 0.000 1.014 175 S CA 0.718 58.673 58.200 -0.408 0.000 0.965 175 S CB -0.475 62.438 63.200 -0.478 0.000 0.785 175 S HN 0.469 nan 8.310 nan 0.000 0.495 176 H N 1.381 120.216 119.070 -0.391 0.000 2.415 176 H HA 0.330 4.887 4.556 0.002 0.000 0.297 176 H C 2.629 177.790 175.328 -0.277 0.000 1.048 176 H CA 1.102 56.932 56.048 -0.362 0.000 1.365 176 H CB -0.608 28.904 29.762 -0.416 0.000 1.421 176 H HN 0.575 nan 8.280 nan 0.000 0.533 177 A N 0.818 123.562 122.820 -0.127 0.000 1.898 177 A HA -0.096 4.225 4.320 0.001 0.000 0.216 177 A C 2.760 180.275 177.584 -0.115 0.000 1.181 177 A CA 1.420 53.393 52.037 -0.106 0.000 0.620 177 A CB -0.825 18.114 19.000 -0.101 0.000 0.819 177 A HN 0.182 nan 8.150 nan 0.000 0.442 178 V N -0.068 119.758 119.914 -0.147 0.000 2.343 178 V HA -0.262 3.859 4.120 0.001 0.000 0.247 178 V C 3.049 179.046 176.094 -0.161 0.000 1.051 178 V CA 1.988 64.207 62.300 -0.135 0.000 1.036 178 V CB -1.227 30.510 31.823 -0.143 0.000 0.654 178 V HN 0.618 nan 8.190 nan 0.000 0.451 179 A N -0.338 122.325 122.820 -0.262 0.000 1.902 179 A HA -0.134 4.187 4.320 0.001 0.000 0.217 179 A C 2.187 179.595 177.584 -0.294 0.000 1.181 179 A CA 1.653 53.434 52.037 -0.427 0.000 0.623 179 A CB -0.549 17.950 19.000 -0.836 0.000 0.818 179 A HN 0.501 nan 8.150 nan 0.000 0.443 180 L N 0.209 121.323 121.223 -0.182 0.000 2.191 180 L HA -0.156 4.185 4.340 0.001 0.000 0.212 180 L C 2.910 179.797 176.870 0.028 0.000 1.103 180 L CA 1.651 56.479 54.840 -0.019 0.000 0.769 180 L CB -0.704 41.344 42.059 -0.018 0.000 0.908 180 L HN 0.699 nan 8.230 nan 0.000 0.438 181 T N -3.343 111.204 114.554 -0.010 0.000 2.904 181 T HA -0.145 4.206 4.350 0.001 0.000 0.267 181 T C 1.999 176.721 174.700 0.038 0.000 1.059 181 T CA 0.488 62.594 62.100 0.011 0.000 1.137 181 T CB -0.178 68.681 68.868 -0.014 0.000 0.879 181 T HN 0.246 nan 8.240 nan 0.000 0.467 182 R N 1.077 121.598 120.500 0.035 0.000 2.096 182 R HA -0.051 4.290 4.340 0.001 0.000 0.235 182 R C 2.125 178.506 176.300 0.135 0.000 1.127 182 R CA 1.557 57.698 56.100 0.069 0.000 0.968 182 R CB -0.312 30.029 30.300 0.068 0.000 0.861 182 R HN 0.467 nan 8.270 nan 0.000 0.440 183 D N -0.234 120.277 120.400 0.186 0.000 2.144 183 D HA -0.134 4.507 4.640 0.001 0.000 0.199 183 D C 1.805 178.297 176.300 0.320 0.000 0.984 183 D CA 1.202 55.375 54.000 0.289 0.000 0.834 183 D CB -0.229 40.730 40.800 0.264 0.000 0.955 183 D HN 0.048 nan 8.370 nan 0.000 0.465 184 S N 0.181 115.995 115.700 0.189 0.000 2.368 184 S HA -0.195 4.276 4.470 0.001 0.000 0.225 184 S C 1.861 176.489 174.600 0.047 0.000 1.030 184 S CA 1.417 59.685 58.200 0.114 0.000 0.999 184 S CB -0.023 63.219 63.200 0.070 0.000 0.844 184 S HN 0.222 nan 8.310 nan 0.000 0.459 185 E N 0.341 120.574 120.200 0.054 0.000 2.077 185 E HA -0.134 4.217 4.350 0.001 0.000 0.193 185 E C 2.416 179.026 176.600 0.016 0.000 0.989 185 E CA 0.994 57.410 56.400 0.026 0.000 0.800 185 E CB -0.055 29.664 29.700 0.032 0.000 0.746 185 E HN 0.449 nan 8.360 nan 0.000 0.452 186 R N 0.199 120.734 120.500 0.057 0.000 2.096 186 R HA -0.102 4.239 4.340 0.001 0.000 0.235 186 R C 2.625 178.862 176.300 -0.105 0.000 1.127 186 R CA 1.126 57.256 56.100 0.050 0.000 0.968 186 R CB -0.400 30.011 30.300 0.185 0.000 0.861 186 R HN 0.302 nan 8.270 nan 0.000 0.440 187 L N 0.140 121.199 121.223 -0.273 0.000 2.079 187 L HA -0.134 4.207 4.340 0.001 0.000 0.210 187 L C 2.114 178.809 176.870 -0.292 0.000 1.081 187 L CA 1.684 56.133 54.840 -0.651 0.000 0.752 187 L CB -0.501 41.181 42.059 -0.628 0.000 0.896 187 L HN 0.304 nan 8.230 nan 0.000 0.433 188 G N -0.947 107.764 108.800 -0.148 0.000 2.394 188 G HA2 -0.226 3.734 3.960 0.001 0.000 0.215 188 G HA3 -0.226 3.734 3.960 0.001 0.000 0.215 188 G C 1.295 176.160 174.900 -0.059 0.000 1.165 188 G CA 0.580 45.628 45.100 -0.086 0.000 0.784 188 G HN 0.453 nan 8.290 nan 0.000 0.535 189 E N -0.068 120.107 120.200 -0.042 0.000 2.160 189 E HA -0.086 4.265 4.350 0.001 0.000 0.195 189 E C 2.629 179.228 176.600 -0.002 0.000 0.991 189 E CA 0.899 57.292 56.400 -0.012 0.000 0.810 189 E CB -0.035 29.669 29.700 0.006 0.000 0.742 189 E HN 0.321 nan 8.360 nan 0.000 0.466 190 V N 1.116 121.016 119.914 -0.023 0.000 2.488 190 V HA -0.189 3.932 4.120 0.001 0.000 0.246 190 V C 2.245 178.350 176.094 0.018 0.000 1.046 190 V CA 1.404 63.715 62.300 0.019 0.000 1.053 190 V CB -0.292 31.542 31.823 0.019 0.000 0.679 190 V HN 0.155 nan 8.190 nan 0.000 0.458 191 K N 0.167 120.545 120.400 -0.036 0.000 2.097 191 K HA -0.189 4.131 4.320 0.001 0.000 0.206 191 K C 2.255 178.848 176.600 -0.012 0.000 1.049 191 K CA 1.096 57.361 56.287 -0.037 0.000 0.933 191 K CB 0.017 32.473 32.500 -0.072 0.000 0.717 191 K HN 0.261 nan 8.250 nan 0.000 0.442 192 K N 0.525 120.922 120.400 -0.006 0.000 2.057 192 K HA -0.146 4.175 4.320 0.001 0.000 0.207 192 K C 2.112 178.729 176.600 0.029 0.000 1.049 192 K CA 1.375 57.667 56.287 0.008 0.000 0.931 192 K CB -0.251 32.252 32.500 0.006 0.000 0.714 192 K HN 0.223 nan 8.250 nan 0.000 0.440 193 R N 0.256 120.780 120.500 0.040 0.000 2.193 193 R HA 0.154 4.495 4.340 0.001 0.000 0.213 193 R C 2.370 178.702 176.300 0.053 0.000 1.055 193 R CA 0.367 56.499 56.100 0.054 0.000 0.995 193 R CB -0.079 30.266 30.300 0.076 0.000 0.893 193 R HN 0.142 nan 8.270 nan 0.000 0.459 194 I N 0.782 121.385 120.570 0.055 0.000 2.500 194 I HA -0.180 3.991 4.170 0.001 0.000 0.252 194 I C 1.075 177.232 176.117 0.067 0.000 1.142 194 I CA 0.617 61.930 61.300 0.022 0.000 1.451 194 I CB -0.075 37.945 38.000 0.034 0.000 1.093 194 I HN 0.044 nan 8.210 nan 0.000 0.430 195 N N 1.345 120.097 118.700 0.085 0.000 2.906 195 N HA 0.039 4.780 4.740 0.001 0.000 0.282 195 N C -1.009 174.683 175.510 0.304 0.000 1.293 195 N CA 0.239 53.391 53.050 0.170 0.000 1.059 195 N CB -0.184 38.326 38.487 0.039 0.000 1.388 195 N HN -0.093 nan 8.380 nan 0.000 0.533 196 V N 1.706 121.772 119.914 0.253 0.000 2.482 196 V HA 0.262 4.383 4.120 0.001 0.000 0.295 196 V C 0.080 175.942 176.094 -0.386 0.000 1.026 196 V CA -1.116 61.194 62.300 0.017 0.000 0.856 196 V CB 1.826 33.629 31.823 -0.035 0.000 1.001 196 V HN 0.194 nan 8.190 nan 0.000 0.424 197 L N 8.898 129.690 121.223 -0.718 0.000 2.534 197 L HA 0.278 4.619 4.340 0.001 0.000 0.271 197 L C -1.307 175.208 176.870 -0.593 0.000 1.178 197 L CA -0.266 53.853 54.840 -1.201 0.000 0.907 197 L CB 1.175 42.765 42.059 -0.782 0.000 1.164 197 L HN 0.462 nan 8.230 nan 0.000 0.482 198 P HA 0.018 nan 4.420 nan 0.000 0.251 198 P C 0.469 177.644 177.300 -0.209 0.000 1.198 198 P CA 0.025 62.954 63.100 -0.286 0.000 0.847 198 P CB 0.469 32.021 31.700 -0.246 0.000 1.082 199 L N 0.714 121.800 121.223 -0.229 0.000 2.540 199 L HA 0.136 4.477 4.340 0.001 0.000 0.276 199 L C 1.430 178.252 176.870 -0.080 0.000 1.212 199 L CA 1.841 56.601 54.840 -0.135 0.000 0.893 199 L CB -0.412 41.596 42.059 -0.086 0.000 1.138 199 L HN 0.338 nan 8.230 nan 0.000 0.491 200 G N 1.986 110.755 108.800 -0.051 0.000 2.168 200 G HA2 -0.231 3.730 3.960 0.001 0.000 0.197 200 G HA3 -0.231 3.730 3.960 0.001 0.000 0.197 200 G C 0.723 175.608 174.900 -0.026 0.000 0.997 200 G CA 0.229 45.333 45.100 0.005 0.000 0.658 200 G HN 0.615 nan 8.290 nan 0.000 0.513 201 S N 0.233 115.899 115.700 -0.058 0.000 2.524 201 S HA 0.460 4.931 4.470 0.001 0.000 0.216 201 S C 1.900 176.467 174.600 -0.054 0.000 0.987 201 S CA 1.224 59.392 58.200 -0.052 0.000 0.909 201 S CB 0.207 63.372 63.200 -0.059 0.000 0.781 201 S HN 2.204 nan 8.310 nan 0.000 0.521 202 G N 1.756 110.511 108.800 -0.074 0.000 2.575 202 G HA2 -0.204 3.757 3.960 0.001 0.000 0.267 202 G HA3 -0.204 3.757 3.960 0.001 0.000 0.267 202 G C 0.909 175.747 174.900 -0.103 0.000 1.264 202 G CA -0.048 44.999 45.100 -0.089 0.000 0.935 202 G HN 0.657 nan 8.290 nan 0.000 0.568 203 A N -1.087 121.676 122.820 -0.095 0.000 1.930 203 A HA 0.376 4.696 4.320 0.001 0.000 0.217 203 A C 2.230 179.777 177.584 -0.061 0.000 1.175 203 A CA 3.509 55.487 52.037 -0.098 0.000 0.627 203 A CB -0.367 18.587 19.000 -0.076 0.000 0.815 203 A HN 2.247 nan 8.150 nan 0.000 0.443 204 L N -7.322 113.880 121.223 -0.035 0.000 4.483 204 L HA 0.395 4.735 4.340 0.001 0.000 0.473 204 L C 1.446 178.313 176.870 -0.006 0.000 0.848 204 L CA 0.633 55.469 54.840 -0.008 0.000 1.991 204 L CB -0.473 41.596 42.059 0.017 0.000 2.326 204 L HN 0.034 nan 8.230 nan 0.000 0.589 205 A N 0.989 123.802 122.820 -0.012 0.000 2.308 205 A HA 0.736 5.057 4.320 0.001 0.000 0.217 205 A C 1.215 178.792 177.584 -0.011 0.000 1.216 205 A CA 0.846 52.878 52.037 -0.008 0.000 0.864 205 A CB -0.303 18.693 19.000 -0.007 0.000 0.902 205 A HN 1.304 nan 8.150 nan 0.000 0.499 206 G N -0.567 108.222 108.800 -0.018 0.000 2.384 206 G HA2 -0.031 3.930 3.960 0.001 0.000 0.668 206 G HA3 -0.031 3.930 3.960 0.001 0.000 0.668 206 G C -0.676 174.215 174.900 -0.015 0.000 1.280 206 G CA -0.352 44.737 45.100 -0.017 0.000 0.992 206 G HN 0.613 nan 8.290 nan 0.000 0.512 207 N N 1.045 119.743 118.700 -0.003 0.000 2.488 207 N HA 0.608 5.349 4.740 0.001 0.000 0.274 207 N C -0.333 175.183 175.510 0.010 0.000 1.111 207 N CA -1.042 52.017 53.050 0.015 0.000 0.974 207 N CB 1.442 39.958 38.487 0.049 0.000 1.089 207 N HN 0.358 nan 8.380 nan 0.000 0.465 208 P HA 0.059 nan 4.420 nan 0.000 0.251 208 P C 0.225 177.527 177.300 0.005 0.000 1.223 208 P CA 0.627 63.729 63.100 0.004 0.000 0.796 208 P CB 0.372 32.072 31.700 -0.001 0.000 1.068 209 L N -0.513 120.716 121.223 0.010 0.000 2.700 209 L HA 0.238 4.579 4.340 0.001 0.000 0.234 209 L C 0.333 177.197 176.870 -0.010 0.000 1.156 209 L CA -0.053 54.786 54.840 -0.001 0.000 0.946 209 L CB -0.673 41.383 42.059 -0.005 0.000 1.216 209 L HN -0.111 nan 8.230 nan 0.000 0.493 210 D N 0.815 121.212 120.400 -0.005 0.000 2.870 210 D HA -0.215 4.426 4.640 0.001 0.000 0.228 210 D C 0.262 176.552 176.300 -0.016 0.000 1.147 210 D CA 0.463 54.458 54.000 -0.009 0.000 0.757 210 D CB -0.708 40.085 40.800 -0.012 0.000 1.091 210 D HN 0.143 nan 8.370 nan 0.000 0.429 211 I N 1.011 121.573 120.570 -0.013 0.000 3.003 211 I HA -0.044 4.127 4.170 0.001 0.000 0.294 211 I C 0.656 176.762 176.117 -0.019 0.000 1.237 211 I CA 0.279 61.560 61.300 -0.032 0.000 1.417 211 I CB 0.503 38.503 38.000 -0.000 0.000 1.340 211 I HN -0.010 nan 8.210 nan 0.000 0.594 212 D N 6.767 127.149 120.400 -0.030 0.000 2.453 212 D HA 0.125 4.766 4.640 0.001 0.000 0.223 212 D C 1.068 177.367 176.300 -0.001 0.000 1.183 212 D CA 0.010 54.001 54.000 -0.016 0.000 0.933 212 D CB 0.374 41.162 40.800 -0.020 0.000 1.038 212 D HN 0.480 nan 8.370 nan 0.000 0.513 213 R N 2.102 122.604 120.500 0.004 0.000 2.092 213 R HA -0.157 4.183 4.340 0.001 0.000 0.231 213 R C 1.584 177.888 176.300 0.007 0.000 1.119 213 R CA 0.865 56.969 56.100 0.006 0.000 0.970 213 R CB 0.080 30.375 30.300 -0.009 0.000 0.864 213 R HN 0.330 nan 8.270 nan 0.000 0.440 214 E N 1.531 121.733 120.200 0.005 0.000 2.160 214 E HA -0.210 4.140 4.350 0.001 0.000 0.195 214 E C 1.857 178.469 176.600 0.020 0.000 0.991 214 E CA 1.394 57.801 56.400 0.011 0.000 0.810 214 E CB -0.157 29.547 29.700 0.006 0.000 0.742 214 E HN 0.289 nan 8.360 nan 0.000 0.466 215 M N -0.519 119.091 119.600 0.016 0.000 2.200 215 M HA -0.067 4.414 4.480 0.001 0.000 0.265 215 M C 1.784 178.107 176.300 0.038 0.000 1.066 215 M CA 1.222 56.533 55.300 0.019 0.000 1.127 215 M CB -0.017 32.585 32.600 0.004 0.000 1.379 215 M HN 0.212 nan 8.290 nan 0.000 0.420 216 L N -0.208 121.043 121.223 0.047 0.000 2.046 216 L HA -0.211 4.130 4.340 0.001 0.000 0.208 216 L C 2.816 179.751 176.870 0.108 0.000 1.077 216 L CA 1.453 56.341 54.840 0.079 0.000 0.747 216 L CB -0.923 41.184 42.059 0.080 0.000 0.896 216 L HN 0.416 nan 8.230 nan 0.000 0.432 217 R N -0.131 120.423 120.500 0.089 0.000 2.080 217 R HA -0.213 4.128 4.340 0.001 0.000 0.236 217 R C 2.545 178.928 176.300 0.139 0.000 1.137 217 R CA 2.106 58.292 56.100 0.144 0.000 0.943 217 R CB -0.399 29.953 30.300 0.086 0.000 0.846 217 R HN 0.172 nan 8.270 nan 0.000 0.431 218 S N 0.181 115.928 115.700 0.079 0.000 2.370 218 S HA -0.146 4.325 4.470 0.001 0.000 0.226 218 S C 1.747 176.377 174.600 0.049 0.000 1.033 218 S CA 1.375 59.607 58.200 0.052 0.000 1.011 218 S CB -0.147 63.073 63.200 0.033 0.000 0.852 218 S HN 0.369 nan 8.310 nan 0.000 0.457 219 E N 0.764 120.999 120.200 0.059 0.000 2.047 219 E HA -0.037 4.313 4.350 0.001 0.000 0.191 219 E C 2.022 178.655 176.600 0.054 0.000 0.987 219 E CA 0.931 57.362 56.400 0.052 0.000 0.799 219 E CB -0.371 29.364 29.700 0.058 0.000 0.752 219 E HN 0.515 nan 8.360 nan 0.000 0.449 220 L N 0.272 121.559 121.223 0.106 0.000 2.554 220 L HA 0.012 4.353 4.340 0.001 0.000 0.226 220 L C 0.250 177.086 176.870 -0.056 0.000 1.137 220 L CA 0.318 55.212 54.840 0.091 0.000 0.863 220 L CB -0.240 42.005 42.059 0.310 0.000 0.985 220 L HN 0.117 nan 8.230 nan 0.000 0.451 221 E N -1.198 119.001 120.200 -0.000 0.000 2.694 221 E HA -0.219 4.132 4.350 0.001 0.000 0.272 221 E C -0.169 176.350 176.600 -0.136 0.000 1.040 221 E CA 0.088 56.446 56.400 -0.071 0.000 0.809 221 E CB -1.626 28.001 29.700 -0.121 0.000 1.389 221 E HN 0.259 nan 8.360 nan 0.000 0.413 222 F N -0.158 119.776 119.950 -0.026 0.000 2.399 222 F HA 0.347 4.874 4.527 -0.000 0.000 0.313 222 F C 1.717 177.500 175.800 -0.028 0.000 1.202 222 F CA 0.479 58.458 58.000 -0.034 0.000 1.192 222 F CB 0.475 39.452 39.000 -0.038 0.000 1.256 222 F HN 0.031 nan 8.300 nan 0.000 0.558 223 A N 0.059 122.984 122.820 0.175 0.000 2.044 223 A HA 0.258 4.579 4.320 0.001 0.000 0.213 223 A C 0.555 178.186 177.584 0.077 0.000 1.169 223 A CA 1.067 53.155 52.037 0.085 0.000 0.724 223 A CB -0.418 18.612 19.000 0.050 0.000 0.840 223 A HN 0.637 nan 8.150 nan 0.000 0.463 224 S N -1.510 114.245 115.700 0.092 0.000 2.843 224 S HA 0.694 5.165 4.470 0.001 0.000 0.301 224 S C -0.705 173.894 174.600 -0.002 0.000 1.206 224 S CA -0.242 57.981 58.200 0.038 0.000 0.875 224 S CB 0.499 63.711 63.200 0.020 0.000 1.248 224 S HN 0.845 nan 8.310 nan 0.000 0.555 225 I N -0.451 120.099 120.570 -0.034 0.000 2.785 225 I HA 0.740 4.910 4.170 0.001 0.000 0.302 225 I C -0.144 175.926 176.117 -0.079 0.000 1.069 225 I CA -0.961 60.289 61.300 -0.083 0.000 1.045 225 I CB 2.224 40.187 38.000 -0.062 0.000 1.236 225 I HN 0.789 nan 8.210 nan 0.000 0.429 226 S N 3.931 119.564 115.700 -0.112 0.000 2.560 226 S HA 0.182 4.653 4.470 0.001 0.000 0.284 226 S C 0.658 175.228 174.600 -0.049 0.000 1.327 226 S CA -0.577 57.574 58.200 -0.081 0.000 1.055 226 S CB 1.179 64.319 63.200 -0.099 0.000 0.868 226 S HN 0.614 nan 8.310 nan 0.000 0.506 227 L N 1.587 122.793 121.223 -0.030 0.000 2.270 227 L HA 0.307 4.647 4.340 0.001 0.000 0.210 227 L C 0.965 177.827 176.870 -0.014 0.000 1.104 227 L CA 1.157 55.986 54.840 -0.018 0.000 0.804 227 L CB -1.242 40.812 42.059 -0.008 0.000 0.937 227 L HN 0.893 nan 8.230 nan 0.000 0.450 228 N N -1.900 116.793 118.700 -0.013 0.000 2.480 228 N HA 0.116 4.857 4.740 0.001 0.000 0.289 228 N C 0.972 176.476 175.510 -0.009 0.000 1.073 228 N CA 0.416 53.462 53.050 -0.007 0.000 0.885 228 N CB 1.269 39.756 38.487 0.001 0.000 1.421 228 N HN -0.011 nan 8.380 nan 0.000 0.503 229 S N 3.877 119.570 115.700 -0.012 0.000 2.374 229 S HA -0.282 4.189 4.470 0.001 0.000 0.227 229 S C 1.698 176.296 174.600 -0.002 0.000 1.037 229 S CA 1.107 59.298 58.200 -0.015 0.000 1.024 229 S CB -0.359 62.832 63.200 -0.016 0.000 0.861 229 S HN 0.677 nan 8.310 nan 0.000 0.456 230 M N 1.562 121.166 119.600 0.007 0.000 2.067 230 M HA -0.115 4.366 4.480 0.001 0.000 0.260 230 M C 2.353 178.672 176.300 0.031 0.000 1.069 230 M CA 2.240 57.553 55.300 0.021 0.000 1.117 230 M CB -0.763 31.848 32.600 0.019 0.000 1.334 230 M HN 0.429 nan 8.290 nan 0.000 0.407 231 D N 0.372 120.787 120.400 0.025 0.000 2.104 231 D HA -0.152 4.489 4.640 0.001 0.000 0.194 231 D C 1.829 178.158 176.300 0.047 0.000 0.994 231 D CA 1.885 55.906 54.000 0.035 0.000 0.830 231 D CB 0.020 40.836 40.800 0.027 0.000 0.959 231 D HN 0.296 nan 8.370 nan 0.000 0.452 232 A N -0.395 122.440 122.820 0.025 0.000 2.070 232 A HA -0.060 4.261 4.320 0.001 0.000 0.220 232 A C 2.286 179.892 177.584 0.037 0.000 1.159 232 A CA 1.019 53.063 52.037 0.013 0.000 0.656 232 A CB -0.584 18.394 19.000 -0.036 0.000 0.800 232 A HN 0.461 nan 8.150 nan 0.000 0.453 233 I N -0.715 119.885 120.570 0.049 0.000 3.462 233 I HA -0.069 4.102 4.170 0.001 0.000 0.290 233 I C 2.352 178.560 176.117 0.151 0.000 1.236 233 I CA 1.057 62.403 61.300 0.076 0.000 1.418 233 I CB 0.273 38.298 38.000 0.042 0.000 1.102 233 I HN 0.443 nan 8.210 nan 0.000 0.441 234 S N 0.036 115.810 115.700 0.124 0.000 2.497 234 S HA 0.045 4.516 4.470 0.001 0.000 0.221 234 S C 0.746 175.402 174.600 0.093 0.000 1.037 234 S CA -0.370 57.899 58.200 0.115 0.000 0.920 234 S CB -0.329 62.916 63.200 0.075 0.000 0.800 234 S HN 0.379 nan 8.310 nan 0.000 0.505 235 E N 1.440 121.704 120.200 0.107 0.000 2.383 235 E HA 0.394 4.745 4.350 0.001 0.000 0.264 235 E C 0.133 176.820 176.600 0.144 0.000 1.050 235 E CA -0.524 55.939 56.400 0.105 0.000 0.896 235 E CB 0.414 30.184 29.700 0.116 0.000 0.982 235 E HN 0.016 nan 8.360 nan 0.000 0.424 236 R N 2.233 122.740 120.500 0.012 0.000 2.637 236 R HA 0.124 4.464 4.340 0.001 0.000 0.446 236 R C -0.446 175.694 176.300 -0.267 0.000 1.024 236 R CA -0.226 55.719 56.100 -0.258 0.000 1.080 236 R CB 0.032 30.169 30.300 -0.272 0.000 1.421 236 R HN 0.613 nan 8.270 nan 0.000 0.593 237 D N 0.787 121.180 120.400 -0.012 0.000 2.116 237 D HA -0.197 4.444 4.640 0.001 0.000 0.193 237 D C 1.647 177.984 176.300 0.061 0.000 0.998 237 D CA 1.493 55.519 54.000 0.043 0.000 0.836 237 D CB -0.228 40.642 40.800 0.117 0.000 0.951 237 D HN 0.358 nan 8.370 nan 0.000 0.449 238 F N -0.221 119.772 119.950 0.072 0.000 2.202 238 F HA -0.146 4.382 4.527 0.000 0.000 0.301 238 F C 1.960 177.844 175.800 0.140 0.000 1.082 238 F CA 0.616 58.672 58.000 0.093 0.000 1.313 238 F CB -0.902 38.142 39.000 0.073 0.000 1.024 238 F HN -0.142 nan 8.300 nan 0.000 0.495 239 V N 0.565 120.137 119.914 -0.571 0.000 2.302 239 V HA -0.191 3.930 4.120 0.001 0.000 0.243 239 V C 2.567 178.658 176.094 -0.006 0.000 1.036 239 V CA 1.458 63.589 62.300 -0.281 0.000 1.020 239 V CB -0.559 30.982 31.823 -0.470 0.000 0.657 239 V HN 0.335 nan 8.190 nan 0.000 0.453 240 V N 0.071 119.943 119.914 -0.070 0.000 2.282 240 V HA -0.348 3.773 4.120 0.001 0.000 0.249 240 V C 2.457 178.585 176.094 0.056 0.000 1.057 240 V CA 2.530 64.824 62.300 -0.009 0.000 1.032 240 V CB -0.624 31.185 31.823 -0.024 0.000 0.645 240 V HN 0.635 nan 8.190 nan 0.000 0.447 241 E N -0.710 119.547 120.200 0.095 0.000 2.077 241 E HA -0.262 4.089 4.350 0.001 0.000 0.193 241 E C 2.051 178.779 176.600 0.213 0.000 0.989 241 E CA 1.623 58.105 56.400 0.138 0.000 0.800 241 E CB -0.180 29.610 29.700 0.149 0.000 0.746 241 E HN 0.602 nan 8.360 nan 0.000 0.452 242 F N 1.067 121.096 119.950 0.131 0.000 2.134 242 F HA -0.129 4.398 4.527 0.000 0.000 0.299 242 F C 1.758 177.709 175.800 0.251 0.000 1.097 242 F CA 1.222 59.353 58.000 0.219 0.000 1.264 242 F CB -0.199 38.908 39.000 0.180 0.000 1.001 242 F HN -0.022 nan 8.300 nan 0.000 0.479 243 L N -0.583 120.618 121.223 -0.036 0.000 2.141 243 L HA -0.186 4.155 4.340 0.001 0.000 0.209 243 L C 2.458 179.244 176.870 -0.139 0.000 1.094 243 L CA 1.291 56.028 54.840 -0.172 0.000 0.763 243 L CB -0.910 41.127 42.059 -0.035 0.000 0.908 243 L HN 0.110 nan 8.230 nan 0.000 0.437 244 S N 0.094 115.774 115.700 -0.032 0.000 2.368 244 S HA -0.167 4.304 4.470 0.001 0.000 0.224 244 S C 1.759 176.333 174.600 -0.043 0.000 1.029 244 S CA 1.190 59.380 58.200 -0.016 0.000 0.988 244 S CB -0.364 62.855 63.200 0.033 0.000 0.838 244 S HN 0.459 nan 8.310 nan 0.000 0.462 245 F N 2.963 122.835 119.950 -0.130 0.000 2.134 245 F HA -0.021 4.507 4.527 0.001 0.000 0.299 245 F C 2.237 177.920 175.800 -0.195 0.000 1.097 245 F CA 1.012 58.936 58.000 -0.126 0.000 1.264 245 F CB -0.838 38.116 39.000 -0.078 0.000 1.001 245 F HN 0.155 nan 8.300 nan 0.000 0.479 246 A N 0.134 122.443 122.820 -0.852 0.000 1.898 246 A HA -0.121 4.199 4.320 0.001 0.000 0.216 246 A C 2.185 179.444 177.584 -0.541 0.000 1.181 246 A CA 2.192 53.672 52.037 -0.928 0.000 0.620 246 A CB -1.492 17.065 19.000 -0.737 0.000 0.819 246 A HN 0.485 nan 8.150 nan 0.000 0.442 247 T N 0.225 114.573 114.554 -0.344 0.000 2.708 247 T HA -0.093 4.258 4.350 0.001 0.000 0.266 247 T C 1.840 176.377 174.700 -0.272 0.000 1.037 247 T CA 1.292 63.266 62.100 -0.210 0.000 1.146 247 T CB -0.338 68.492 68.868 -0.063 0.000 0.865 247 T HN 0.334 nan 8.240 nan 0.000 0.435 248 L N 0.582 121.618 121.223 -0.311 0.000 2.093 248 L HA -0.044 4.297 4.340 0.001 0.000 0.208 248 L C 2.382 178.924 176.870 -0.547 0.000 1.085 248 L CA 1.003 55.606 54.840 -0.395 0.000 0.755 248 L CB -0.337 41.535 42.059 -0.312 0.000 0.904 248 L HN 0.249 nan 8.230 nan 0.000 0.435 249 L N -0.340 120.594 121.223 -0.482 0.000 2.012 249 L HA -0.257 4.084 4.340 0.001 0.000 0.210 249 L C 2.439 179.152 176.870 -0.260 0.000 1.073 249 L CA 1.923 56.541 54.840 -0.371 0.000 0.748 249 L CB -0.562 41.173 42.059 -0.541 0.000 0.891 249 L HN 0.189 nan 8.230 nan 0.000 0.431 250 M N -0.644 118.794 119.600 -0.270 0.000 2.159 250 M HA -0.183 4.298 4.480 0.001 0.000 0.263 250 M C 2.303 178.513 176.300 -0.150 0.000 1.063 250 M CA 1.336 56.531 55.300 -0.175 0.000 1.110 250 M CB -1.142 31.367 32.600 -0.152 0.000 1.374 250 M HN 0.262 nan 8.290 nan 0.000 0.411 251 I N -0.556 119.888 120.570 -0.210 0.000 2.127 251 I HA -0.319 3.852 4.170 0.001 0.000 0.241 251 I C 2.327 178.399 176.117 -0.074 0.000 1.075 251 I CA 1.738 62.931 61.300 -0.179 0.000 1.334 251 I CB -1.507 36.339 38.000 -0.256 0.000 1.040 251 I HN 0.424 nan 8.210 nan 0.000 0.405 252 H N -0.257 118.761 119.070 -0.088 0.000 2.319 252 H HA -0.195 4.361 4.556 0.000 0.000 0.299 252 H C 2.145 177.436 175.328 -0.061 0.000 1.092 252 H CA 0.875 56.890 56.048 -0.056 0.000 1.302 252 H CB 0.099 29.828 29.762 -0.055 0.000 1.373 252 H HN 0.113 nan 8.280 nan 0.000 0.497 253 L N 0.588 121.835 121.223 0.040 0.000 2.093 253 L HA -0.171 4.170 4.340 0.001 0.000 0.208 253 L C 2.712 179.545 176.870 -0.062 0.000 1.085 253 L CA 1.731 56.546 54.840 -0.041 0.000 0.755 253 L CB -0.788 41.235 42.059 -0.060 0.000 0.904 253 L HN 0.320 nan 8.230 nan 0.000 0.435 254 S N -0.995 114.673 115.700 -0.053 0.000 2.383 254 S HA -0.253 4.218 4.470 0.001 0.000 0.227 254 S C 2.113 176.681 174.600 -0.053 0.000 1.026 254 S CA 1.295 59.460 58.200 -0.060 0.000 0.981 254 S CB -0.346 62.815 63.200 -0.066 0.000 0.818 254 S HN 0.461 nan 8.310 nan 0.000 0.472 255 K N 0.695 121.082 120.400 -0.022 0.000 2.025 255 K HA 0.003 4.323 4.320 0.001 0.000 0.207 255 K C 2.430 179.026 176.600 -0.006 0.000 1.049 255 K CA 1.381 57.674 56.287 0.009 0.000 0.933 255 K CB -0.333 32.210 32.500 0.072 0.000 0.714 255 K HN 0.501 nan 8.250 nan 0.000 0.438 256 M N 0.346 119.896 119.600 -0.084 0.000 2.117 256 M HA -0.145 4.336 4.480 0.001 0.000 0.262 256 M C 2.037 178.217 176.300 -0.199 0.000 1.065 256 M CA 1.799 56.891 55.300 -0.346 0.000 1.114 256 M CB -0.145 32.100 32.600 -0.592 0.000 1.361 256 M HN 0.291 nan 8.290 nan 0.000 0.408 257 A N 0.186 122.922 122.820 -0.141 0.000 1.865 257 A HA -0.264 4.057 4.320 0.001 0.000 0.217 257 A C 1.841 179.354 177.584 -0.117 0.000 1.191 257 A CA 2.255 54.227 52.037 -0.109 0.000 0.623 257 A CB -1.034 17.916 19.000 -0.084 0.000 0.826 257 A HN 0.661 nan 8.150 nan 0.000 0.444 258 E N 0.484 120.616 120.200 -0.114 0.000 2.049 258 E HA -0.244 4.107 4.350 0.001 0.000 0.198 258 E C 1.517 177.977 176.600 -0.234 0.000 1.007 258 E CA 1.998 58.313 56.400 -0.141 0.000 0.809 258 E CB -0.323 29.311 29.700 -0.110 0.000 0.749 258 E HN 0.562 nan 8.360 nan 0.000 0.450 259 D N -0.387 119.872 120.400 -0.234 0.000 2.106 259 D HA -0.167 4.473 4.640 0.001 0.000 0.191 259 D C 1.917 177.843 176.300 -0.623 0.000 0.997 259 D CA 1.071 54.792 54.000 -0.466 0.000 0.834 259 D CB -0.285 40.469 40.800 -0.075 0.000 0.956 259 D HN 0.197 nan 8.370 nan 0.000 0.448 260 L N 0.731 121.818 121.223 -0.226 0.000 2.093 260 L HA -0.065 4.276 4.340 0.001 0.000 0.208 260 L C 2.421 179.243 176.870 -0.079 0.000 1.085 260 L CA 0.863 55.671 54.840 -0.053 0.000 0.755 260 L CB -0.553 41.522 42.059 0.026 0.000 0.904 260 L HN 0.086 nan 8.230 nan 0.000 0.435 261 I N -1.114 119.374 120.570 -0.137 0.000 2.252 261 I HA -0.313 3.858 4.170 0.001 0.000 0.245 261 I C 2.320 178.334 176.117 -0.172 0.000 1.102 261 I CA 1.317 62.549 61.300 -0.114 0.000 1.385 261 I CB -0.183 37.753 38.000 -0.108 0.000 1.064 261 I HN 0.168 nan 8.210 nan 0.000 0.414 262 I N -0.350 120.027 120.570 -0.323 0.000 2.252 262 I HA -0.299 3.872 4.170 0.001 0.000 0.245 262 I C 2.415 178.223 176.117 -0.516 0.000 1.102 262 I CA 1.297 62.294 61.300 -0.506 0.000 1.385 262 I CB -0.414 37.136 38.000 -0.750 0.000 1.064 262 I HN 0.177 nan 8.210 nan 0.000 0.414 263 Y N 0.957 121.021 120.300 -0.392 0.000 2.293 263 Y HA -0.158 4.393 4.550 0.001 0.000 0.291 263 Y C 2.878 178.738 175.900 -0.066 0.000 1.137 263 Y CA 0.874 58.865 58.100 -0.182 0.000 1.202 263 Y CB -1.158 37.346 38.460 0.072 0.000 0.990 263 Y HN 0.258 nan 8.280 nan 0.000 0.537 264 S N -0.596 115.160 115.700 0.094 0.000 2.650 264 S HA 0.016 4.487 4.470 0.001 0.000 0.219 264 S C 0.781 175.400 174.600 0.032 0.000 0.960 264 S CA -0.036 58.204 58.200 0.067 0.000 0.925 264 S CB -1.356 61.876 63.200 0.054 0.000 0.775 264 S HN 0.373 nan 8.310 nan 0.000 0.525 265 T N -0.869 113.696 114.554 0.018 0.000 2.913 265 T HA 0.365 4.716 4.350 0.001 0.000 0.297 265 T C 1.165 175.894 174.700 0.050 0.000 1.029 265 T CA -0.275 61.846 62.100 0.035 0.000 1.104 265 T CB 1.231 70.137 68.868 0.063 0.000 0.964 265 T HN 0.079 nan 8.240 nan 0.000 0.532 266 S N 1.837 117.555 115.700 0.031 0.000 2.387 266 S HA -0.152 4.319 4.470 0.001 0.000 0.230 266 S C 1.910 176.510 174.600 -0.001 0.000 1.035 266 S CA 1.665 59.873 58.200 0.012 0.000 1.014 266 S CB -0.451 62.753 63.200 0.007 0.000 0.836 266 S HN 0.861 nan 8.310 nan 0.000 0.466 267 E N 0.524 120.738 120.200 0.024 0.000 2.051 267 E HA -0.048 4.303 4.350 0.001 0.000 0.192 267 E C 1.634 178.155 176.600 -0.132 0.000 0.991 267 E CA 1.165 57.552 56.400 -0.022 0.000 0.799 267 E CB -0.297 29.426 29.700 0.038 0.000 0.748 267 E HN 0.506 nan 8.360 nan 0.000 0.449 268 F N -0.663 119.125 119.950 -0.269 0.000 2.179 268 F HA 0.190 4.718 4.527 0.001 0.000 0.292 268 F C 1.954 177.408 175.800 -0.576 0.000 1.089 268 F CA 1.159 58.810 58.000 -0.581 0.000 1.295 268 F CB -0.519 38.087 39.000 -0.657 0.000 1.041 268 F HN 0.173 nan 8.300 nan 0.000 0.487 269 G N -0.388 108.354 108.800 -0.097 0.000 2.203 269 G HA2 -0.332 3.629 3.960 0.001 0.000 0.263 269 G HA3 -0.332 3.629 3.960 0.001 0.000 0.263 269 G C 0.881 175.808 174.900 0.045 0.000 1.012 269 G CA 0.534 45.613 45.100 -0.036 0.000 0.749 269 G HN 0.245 nan 8.290 nan 0.000 0.512 270 F N -0.571 119.384 119.950 0.008 0.000 2.259 270 F HA 0.338 4.866 4.527 0.002 0.000 0.298 270 F C 1.596 177.289 175.800 -0.179 0.000 1.088 270 F CA 1.193 59.105 58.000 -0.148 0.000 1.358 270 F CB -0.351 38.467 39.000 -0.305 0.000 1.040 270 F HN 0.497 nan 8.300 nan 0.000 0.505 271 L N -4.451 116.839 121.223 0.111 0.000 2.765 271 L HA 0.768 5.109 4.340 0.001 0.000 0.263 271 L C -0.774 176.134 176.870 0.064 0.000 1.068 271 L CA -0.818 54.048 54.840 0.044 0.000 0.903 271 L CB 1.757 43.835 42.059 0.033 0.000 1.512 271 L HN -0.389 nan 8.230 nan 0.000 0.404 272 T N 0.821 115.407 114.554 0.055 0.000 2.909 272 T HA 0.740 5.091 4.350 0.001 0.000 0.299 272 T C -0.730 174.015 174.700 0.074 0.000 1.073 272 T CA -0.537 61.598 62.100 0.059 0.000 0.999 272 T CB 1.666 70.561 68.868 0.044 0.000 1.098 272 T HN 0.628 nan 8.240 nan 0.000 0.477 273 L N 2.041 123.313 121.223 0.083 0.000 2.360 273 L HA 0.556 4.897 4.340 0.001 0.000 0.271 273 L C 1.139 178.083 176.870 0.123 0.000 1.057 273 L CA -0.976 53.929 54.840 0.110 0.000 0.803 273 L CB 1.418 43.549 42.059 0.121 0.000 1.207 273 L HN 0.812 nan 8.230 nan 0.000 0.445 274 S N -0.548 115.256 115.700 0.174 0.000 2.580 274 S HA 0.011 4.482 4.470 0.001 0.000 0.266 274 S C 0.572 175.242 174.600 0.117 0.000 1.354 274 S CA -0.598 57.694 58.200 0.152 0.000 1.008 274 S CB 0.706 64.031 63.200 0.207 0.000 0.898 274 S HN 0.614 nan 8.310 nan 0.000 0.555 275 D N 1.204 121.636 120.400 0.054 0.000 2.219 275 D HA -0.044 4.597 4.640 0.001 0.000 0.205 275 D C 2.176 178.451 176.300 -0.041 0.000 0.970 275 D CA 1.438 55.446 54.000 0.013 0.000 0.851 275 D CB -0.783 40.015 40.800 -0.003 0.000 0.943 275 D HN 0.695 nan 8.370 nan 0.000 0.488 276 A N 0.670 123.428 122.820 -0.103 0.000 1.908 276 A HA -0.162 4.159 4.320 0.001 0.000 0.218 276 A C 1.417 178.689 177.584 -0.519 0.000 1.181 276 A CA 1.093 52.910 52.037 -0.367 0.000 0.627 276 A CB -0.729 17.935 19.000 -0.560 0.000 0.818 276 A HN 0.208 nan 8.150 nan 0.000 0.445 277 F N 0.168 120.124 119.950 0.011 0.000 2.750 277 F HA 0.292 4.820 4.527 0.002 0.000 0.297 277 F C 0.921 176.725 175.800 0.008 0.000 1.138 277 F CA 0.278 58.283 58.000 0.008 0.000 1.346 277 F CB 0.153 39.159 39.000 0.010 0.000 0.965 277 F HN 0.196 nan 8.300 nan 0.000 0.514 278 S N -2.181 113.579 115.700 0.100 0.000 2.697 278 S HA 0.803 5.274 4.470 0.001 0.000 0.289 278 S C -0.559 174.058 174.600 0.029 0.000 1.149 278 S CA -0.679 57.564 58.200 0.072 0.000 0.850 278 S CB 2.486 65.730 63.200 0.074 0.000 1.151 278 S HN -0.107 nan 8.310 nan 0.000 0.491 279 T N -0.548 114.021 114.554 0.025 0.000 2.896 279 T HA 0.874 5.224 4.350 0.001 0.000 0.297 279 T C -0.079 174.629 174.700 0.012 0.000 1.108 279 T CA 0.059 62.166 62.100 0.012 0.000 1.004 279 T CB 1.497 70.371 68.868 0.010 0.000 1.159 279 T HN 1.302 nan 8.240 nan 0.000 0.499 280 G N 0.503 109.308 108.800 0.007 0.000 2.650 280 G HA2 0.631 4.592 3.960 0.001 0.000 0.310 280 G HA3 0.631 4.592 3.960 0.001 0.000 0.310 280 G C -1.465 173.438 174.900 0.004 0.000 1.270 280 G CA -0.302 44.803 45.100 0.007 0.000 0.810 280 G HN 0.789 nan 8.290 nan 0.000 0.493 281 S N -1.659 114.043 115.700 0.004 0.000 2.564 281 S HA 0.539 5.010 4.470 0.001 0.000 0.274 281 S C 1.088 175.690 174.600 0.003 0.000 1.124 281 S CA 0.573 58.774 58.200 0.003 0.000 0.869 281 S CB 1.617 64.819 63.200 0.003 0.000 1.105 281 S HN 1.555 nan 8.310 nan 0.000 0.472 282 S N 3.070 118.771 115.700 0.002 0.000 2.561 282 S HA 0.067 4.538 4.470 0.001 0.000 0.225 282 S C 1.205 175.806 174.600 0.002 0.000 0.977 282 S CA 0.329 58.530 58.200 0.002 0.000 0.926 282 S CB -0.298 62.903 63.200 0.001 0.000 0.769 282 S HN 0.537 nan 8.310 nan 0.000 0.533 283 L N 0.332 121.556 121.223 0.002 0.000 2.416 283 L HA 0.463 4.803 4.340 0.001 0.000 0.216 283 L C 1.058 177.930 176.870 0.003 0.000 1.098 283 L CA 1.053 55.894 54.840 0.002 0.000 0.840 283 L CB -0.424 41.636 42.059 0.002 0.000 0.981 283 L HN 0.383 nan 8.230 nan 0.000 0.462 284 M N -0.592 119.010 119.600 0.003 0.000 2.389 284 M HA 0.214 4.695 4.480 0.001 0.000 0.206 284 M C -1.715 174.588 176.300 0.005 0.000 0.976 284 M CA -1.151 54.151 55.300 0.004 0.000 0.648 284 M CB 1.488 34.090 32.600 0.004 0.000 1.474 284 M HN -0.173 nan 8.290 nan 0.000 0.398 285 P HA -0.181 nan 4.420 nan 0.000 0.215 285 P C 0.383 177.687 177.300 0.008 0.000 1.163 285 P CA 1.286 64.389 63.100 0.006 0.000 0.894 285 P CB 0.127 31.831 31.700 0.005 0.000 0.791 286 Q N 0.563 120.367 119.800 0.007 0.000 3.151 286 Q HA 0.083 4.424 4.340 0.001 0.000 0.277 286 Q C 0.072 176.078 176.000 0.009 0.000 1.343 286 Q CA 0.737 56.545 55.803 0.008 0.000 0.925 286 Q CB -0.705 28.037 28.738 0.006 0.000 1.771 286 Q HN 0.180 nan 8.270 nan 0.000 0.514 287 K N 1.128 121.535 120.400 0.011 0.000 2.584 287 K HA 0.220 4.541 4.320 0.001 0.000 0.260 287 K C -1.558 175.051 176.600 0.015 0.000 0.949 287 K CA -0.186 56.109 56.287 0.013 0.000 0.888 287 K CB 1.104 33.609 32.500 0.009 0.000 1.330 287 K HN 0.120 nan 8.250 nan 0.000 0.432 288 K N 2.682 123.094 120.400 0.020 0.000 2.397 288 K HA 0.442 4.762 4.320 0.001 0.000 0.253 288 K C -0.573 176.042 176.600 0.024 0.000 0.932 288 K CA -1.001 55.300 56.287 0.024 0.000 0.795 288 K CB 1.514 34.034 32.500 0.034 0.000 1.159 288 K HN 0.394 nan 8.250 nan 0.000 0.424 289 N N 3.868 122.581 118.700 0.022 0.000 2.419 289 N HA 0.149 4.890 4.740 0.001 0.000 0.264 289 N C -2.278 173.249 175.510 0.028 0.000 1.031 289 N CA -1.522 51.540 53.050 0.019 0.000 0.951 289 N CB 1.189 39.684 38.487 0.013 0.000 1.101 289 N HN 0.308 nan 8.380 nan 0.000 0.488 290 P HA 0.089 nan 4.420 nan 0.000 0.232 290 P C -0.301 177.018 177.300 0.032 0.000 1.738 290 P CA -0.040 63.081 63.100 0.034 0.000 0.948 290 P CB -0.006 31.703 31.700 0.015 0.000 1.943 291 D N 0.705 121.129 120.400 0.040 0.000 2.133 291 D HA -0.196 4.445 4.640 0.001 0.000 0.195 291 D C 2.273 178.601 176.300 0.047 0.000 0.997 291 D CA 2.216 56.237 54.000 0.035 0.000 0.840 291 D CB -0.232 40.588 40.800 0.033 0.000 0.947 291 D HN 0.297 nan 8.370 nan 0.000 0.452 292 S N 0.528 116.278 115.700 0.085 0.000 2.359 292 S HA -0.202 4.269 4.470 0.001 0.000 0.222 292 S C 2.117 176.741 174.600 0.041 0.000 1.038 292 S CA 0.923 59.186 58.200 0.105 0.000 1.051 292 S CB -0.954 62.369 63.200 0.206 0.000 0.944 292 S HN 0.280 nan 8.310 nan 0.000 0.433 293 L N 1.388 122.622 121.223 0.018 0.000 2.191 293 L HA -0.068 4.273 4.340 0.001 0.000 0.212 293 L C 2.880 179.738 176.870 -0.021 0.000 1.103 293 L CA 1.531 56.360 54.840 -0.019 0.000 0.769 293 L CB -0.666 41.376 42.059 -0.028 0.000 0.908 293 L HN 0.443 nan 8.230 nan 0.000 0.438 294 E N 0.056 120.251 120.200 -0.008 0.000 2.112 294 E HA -0.125 4.226 4.350 0.001 0.000 0.190 294 E C 2.366 178.962 176.600 -0.008 0.000 0.979 294 E CA 0.649 57.042 56.400 -0.012 0.000 0.814 294 E CB 0.027 29.723 29.700 -0.006 0.000 0.762 294 E HN 0.455 nan 8.360 nan 0.000 0.460 295 L N 0.843 122.068 121.223 0.003 0.000 1.994 295 L HA -0.203 4.138 4.340 0.001 0.000 0.208 295 L C 2.478 179.344 176.870 -0.006 0.000 1.071 295 L CA 1.076 55.919 54.840 0.005 0.000 0.745 295 L CB -0.420 41.650 42.059 0.019 0.000 0.892 295 L HN 0.163 nan 8.230 nan 0.000 0.431 296 I N -0.406 120.157 120.570 -0.012 0.000 2.145 296 I HA -0.387 3.784 4.170 0.001 0.000 0.244 296 I C 2.857 178.953 176.117 -0.036 0.000 1.075 296 I CA 1.522 62.805 61.300 -0.028 0.000 1.332 296 I CB -0.429 37.546 38.000 -0.042 0.000 1.033 296 I HN 0.296 nan 8.210 nan 0.000 0.410 297 R N 1.091 121.569 120.500 -0.037 0.000 2.081 297 R HA -0.184 4.157 4.340 0.001 0.000 0.235 297 R C 2.595 178.877 176.300 -0.031 0.000 1.131 297 R CA 2.022 58.097 56.100 -0.041 0.000 0.960 297 R CB -0.197 30.077 30.300 -0.043 0.000 0.856 297 R HN 0.489 nan 8.270 nan 0.000 0.436 298 S N 0.497 116.184 115.700 -0.020 0.000 2.382 298 S HA -0.092 4.379 4.470 0.001 0.000 0.228 298 S C 1.625 176.221 174.600 -0.007 0.000 1.027 298 S CA 0.852 59.046 58.200 -0.010 0.000 0.991 298 S CB -0.111 63.087 63.200 -0.004 0.000 0.823 298 S HN 0.228 nan 8.310 nan 0.000 0.469 299 K N 1.868 122.261 120.400 -0.012 0.000 2.362 299 K HA 0.220 4.541 4.320 0.001 0.000 0.200 299 K C 2.289 178.879 176.600 -0.016 0.000 1.046 299 K CA 0.964 57.245 56.287 -0.011 0.000 0.952 299 K CB -1.034 31.457 32.500 -0.015 0.000 0.753 299 K HN 0.548 nan 8.250 nan 0.000 0.466 300 A N 1.213 124.017 122.820 -0.027 0.000 1.877 300 A HA -0.089 4.231 4.320 0.001 0.000 0.216 300 A C 2.495 180.093 177.584 0.023 0.000 1.186 300 A CA 2.074 54.089 52.037 -0.036 0.000 0.620 300 A CB -1.087 17.874 19.000 -0.064 0.000 0.822 300 A HN 0.359 nan 8.150 nan 0.000 0.443 301 G N -0.767 108.057 108.800 0.041 0.000 2.421 301 G HA2 -0.261 3.700 3.960 0.001 0.000 0.216 301 G HA3 -0.261 3.700 3.960 0.001 0.000 0.216 301 G C 1.730 176.697 174.900 0.111 0.000 1.171 301 G CA 1.042 46.215 45.100 0.120 0.000 0.775 301 G HN 0.550 nan 8.290 nan 0.000 0.543 302 R N -0.078 120.449 120.500 0.045 0.000 2.112 302 R HA -0.125 4.216 4.340 0.001 0.000 0.242 302 R C 2.610 178.914 176.300 0.006 0.000 1.137 302 R CA 2.055 58.164 56.100 0.016 0.000 0.944 302 R CB -0.530 29.776 30.300 0.008 0.000 0.857 302 R HN 0.279 nan 8.270 nan 0.000 0.435 303 V N 0.727 120.648 119.914 0.012 0.000 2.427 303 V HA -0.204 3.917 4.120 0.001 0.000 0.248 303 V C 2.026 178.130 176.094 0.017 0.000 1.051 303 V CA 1.644 63.937 62.300 -0.011 0.000 1.048 303 V CB -0.717 31.073 31.823 -0.055 0.000 0.666 303 V HN 0.352 nan 8.190 nan 0.000 0.456 304 F N 2.469 122.365 119.950 -0.090 0.000 2.171 304 F HA 0.003 4.530 4.527 0.001 0.000 0.300 304 F C 2.109 177.869 175.800 -0.066 0.000 1.090 304 F CA 1.295 59.244 58.000 -0.085 0.000 1.293 304 F CB -0.953 37.999 39.000 -0.079 0.000 1.013 304 F HN 0.127 nan 8.300 nan 0.000 0.486 305 G N 0.973 109.624 108.800 -0.249 0.000 2.440 305 G HA2 -0.258 3.703 3.960 0.001 0.000 0.218 305 G HA3 -0.258 3.703 3.960 0.001 0.000 0.218 305 G C 1.820 176.552 174.900 -0.280 0.000 1.154 305 G CA 0.638 45.537 45.100 -0.335 0.000 0.767 305 G HN 0.210 nan 8.290 nan 0.000 0.552 306 R N -0.197 120.201 120.500 -0.169 0.000 2.096 306 R HA 0.018 4.359 4.340 0.001 0.000 0.235 306 R C 2.452 178.666 176.300 -0.143 0.000 1.127 306 R CA 0.777 56.802 56.100 -0.126 0.000 0.968 306 R CB -1.274 28.989 30.300 -0.061 0.000 0.861 306 R HN 0.450 nan 8.270 nan 0.000 0.440 307 L N 0.850 121.976 121.223 -0.161 0.000 1.994 307 L HA -0.055 4.286 4.340 0.001 0.000 0.208 307 L C 2.214 178.970 176.870 -0.192 0.000 1.071 307 L CA 2.163 56.924 54.840 -0.131 0.000 0.745 307 L CB -0.925 41.103 42.059 -0.052 0.000 0.892 307 L HN 0.158 nan 8.230 nan 0.000 0.431 308 A N -1.441 121.155 122.820 -0.372 0.000 1.902 308 A HA -0.239 4.082 4.320 0.001 0.000 0.217 308 A C 2.501 179.953 177.584 -0.220 0.000 1.181 308 A CA 2.019 53.845 52.037 -0.351 0.000 0.623 308 A CB -1.246 17.399 19.000 -0.591 0.000 0.818 308 A HN 0.590 nan 8.150 nan 0.000 0.443 309 S N -0.181 115.390 115.700 -0.214 0.000 2.365 309 S HA -0.178 4.293 4.470 0.001 0.000 0.221 309 S C 1.900 176.427 174.600 -0.121 0.000 1.037 309 S CA 1.825 59.934 58.200 -0.152 0.000 1.060 309 S CB -0.444 62.671 63.200 -0.141 0.000 0.974 309 S HN 0.383 nan 8.310 nan 0.000 0.427 310 I N 1.782 122.282 120.570 -0.116 0.000 2.286 310 I HA -0.104 4.067 4.170 0.001 0.000 0.248 310 I C 2.372 178.435 176.117 -0.090 0.000 1.115 310 I CA 1.026 62.264 61.300 -0.102 0.000 1.392 310 I CB -1.635 36.304 38.000 -0.100 0.000 1.065 310 I HN 0.361 nan 8.210 nan 0.000 0.418 311 L N -0.371 120.801 121.223 -0.086 0.000 2.046 311 L HA -0.221 4.120 4.340 0.001 0.000 0.208 311 L C 2.655 179.487 176.870 -0.064 0.000 1.077 311 L CA 1.432 56.232 54.840 -0.066 0.000 0.747 311 L CB -0.387 41.639 42.059 -0.056 0.000 0.896 311 L HN 0.233 nan 8.230 nan 0.000 0.432 312 M N -1.033 118.522 119.600 -0.075 0.000 2.288 312 M HA -0.123 4.358 4.480 0.001 0.000 0.266 312 M C 2.081 178.342 176.300 -0.065 0.000 1.072 312 M CA 1.126 56.387 55.300 -0.066 0.000 1.132 312 M CB 0.169 32.726 32.600 -0.071 0.000 1.386 312 M HN -0.027 nan 8.290 nan 0.000 0.432 313 V N 0.996 120.865 119.914 -0.075 0.000 2.295 313 V HA -0.292 3.828 4.120 0.001 0.000 0.246 313 V C 2.251 178.301 176.094 -0.072 0.000 1.049 313 V CA 1.812 64.067 62.300 -0.076 0.000 1.024 313 V CB -0.665 31.107 31.823 -0.085 0.000 0.648 313 V HN 0.535 nan 8.190 nan 0.000 0.447 314 L N -0.678 120.503 121.223 -0.070 0.000 2.109 314 L HA -0.022 4.318 4.340 0.001 0.000 0.207 314 L C 1.557 178.397 176.870 -0.049 0.000 1.086 314 L CA 0.647 55.450 54.840 -0.062 0.000 0.760 314 L CB -0.496 41.528 42.059 -0.058 0.000 0.910 314 L HN 0.187 nan 8.230 nan 0.000 0.437 315 K N 1.531 121.904 120.400 -0.045 0.000 2.491 315 K HA -0.040 4.281 4.320 0.001 0.000 0.279 315 K C 0.969 177.548 176.600 -0.035 0.000 1.026 315 K CA 1.080 57.346 56.287 -0.035 0.000 1.070 315 K CB 0.341 32.821 32.500 -0.033 0.000 0.887 315 K HN 0.353 nan 8.250 nan 0.000 0.481 316 G N 3.494 112.277 108.800 -0.028 0.000 2.184 316 G HA2 -0.271 3.690 3.960 0.001 0.000 0.264 316 G HA3 -0.271 3.690 3.960 0.001 0.000 0.264 316 G C 0.276 175.157 174.900 -0.032 0.000 0.975 316 G CA 0.380 45.464 45.100 -0.027 0.000 0.642 316 G HN 0.548 nan 8.290 nan 0.000 0.536 317 L N 2.478 123.677 121.223 -0.039 0.000 2.416 317 L HA 0.366 4.707 4.340 0.001 0.000 0.272 317 L C -0.646 176.201 176.870 -0.038 0.000 1.161 317 L CA -1.552 53.259 54.840 -0.048 0.000 0.845 317 L CB 0.351 42.372 42.059 -0.065 0.000 1.119 317 L HN 0.108 nan 8.230 nan 0.000 0.464 318 P HA 0.212 nan 4.420 nan 0.000 0.276 318 P C -0.735 176.551 177.300 -0.022 0.000 1.261 318 P CA -0.585 62.500 63.100 -0.025 0.000 0.800 318 P CB 0.946 32.632 31.700 -0.023 0.000 1.066 319 S N -0.371 115.324 115.700 -0.008 0.000 2.592 319 S HA 0.275 4.746 4.470 0.001 0.000 0.271 319 S C 0.995 175.600 174.600 0.008 0.000 1.326 319 S CA -0.207 57.995 58.200 0.004 0.000 1.024 319 S CB 0.735 63.941 63.200 0.010 0.000 0.921 319 S HN 0.516 nan 8.310 nan 0.000 0.527 320 T N 0.565 115.135 114.554 0.027 0.000 3.499 320 T HA 0.147 4.498 4.350 0.001 0.000 0.227 320 T C -0.313 174.431 174.700 0.072 0.000 0.946 320 T CA 0.162 62.292 62.100 0.051 0.000 1.368 320 T CB -0.356 68.553 68.868 0.069 0.000 1.227 320 T HN 0.596 nan 8.240 nan 0.000 0.398 321 Y N 3.054 123.350 120.300 -0.006 0.000 2.299 321 Y HA 0.503 5.053 4.550 0.001 0.000 0.326 321 Y C -0.387 175.507 175.900 -0.009 0.000 1.164 321 Y CA -0.954 57.142 58.100 -0.007 0.000 1.234 321 Y CB 0.454 38.908 38.460 -0.010 0.000 1.219 321 Y HN 0.144 nan 8.280 nan 0.000 0.497 322 N N 4.456 122.561 118.700 -0.993 0.000 2.277 322 N HA 0.122 4.862 4.740 0.001 0.000 0.286 322 N C -0.090 174.870 175.510 -0.916 0.000 1.140 322 N CA -0.716 51.907 53.050 -0.712 0.000 0.799 322 N CB 2.142 40.430 38.487 -0.332 0.000 1.596 322 N HN 0.513 nan 8.380 nan 0.000 0.473 323 K N 0.974 121.088 120.400 -0.477 0.000 2.281 323 K HA -0.088 4.233 4.320 0.001 0.000 0.203 323 K C 0.400 176.887 176.600 -0.188 0.000 1.046 323 K CA 1.442 57.582 56.287 -0.246 0.000 0.938 323 K CB -0.123 32.330 32.500 -0.077 0.000 0.737 323 K HN 0.486 nan 8.250 nan 0.000 0.458 324 D N -0.195 120.082 120.400 -0.204 0.000 2.158 324 D HA -0.174 4.467 4.640 0.001 0.000 0.197 324 D C 1.200 177.422 176.300 -0.129 0.000 0.995 324 D CA 0.821 54.737 54.000 -0.139 0.000 0.846 324 D CB -0.071 40.651 40.800 -0.130 0.000 0.941 324 D HN 0.059 nan 8.370 nan 0.000 0.456 325 L N 0.753 121.872 121.223 -0.173 0.000 2.447 325 L HA -0.142 4.199 4.340 0.001 0.000 0.225 325 L C 2.083 178.933 176.870 -0.033 0.000 1.148 325 L CA 1.210 55.991 54.840 -0.098 0.000 0.808 325 L CB -1.303 40.714 42.059 -0.071 0.000 0.928 325 L HN 0.239 nan 8.230 nan 0.000 0.448 326 Q N -0.228 119.558 119.800 -0.023 0.000 2.364 326 Q HA -0.168 4.173 4.340 0.001 0.000 0.207 326 Q C 1.482 177.475 176.000 -0.012 0.000 0.970 326 Q CA 0.728 56.543 55.803 0.020 0.000 0.888 326 Q CB 0.304 29.066 28.738 0.040 0.000 0.951 326 Q HN 0.422 nan 8.270 nan 0.000 0.469 327 E N 1.081 121.250 120.200 -0.052 0.000 2.478 327 E HA -0.140 4.211 4.350 0.001 0.000 0.198 327 E C 1.224 177.748 176.600 -0.128 0.000 1.046 327 E CA 0.956 57.304 56.400 -0.087 0.000 0.870 327 E CB 0.083 29.730 29.700 -0.088 0.000 0.818 327 E HN 0.616 nan 8.360 nan 0.000 0.527 328 D N 1.206 121.536 120.400 -0.117 0.000 2.117 328 D HA -0.206 4.435 4.640 0.001 0.000 0.197 328 D C 1.566 177.729 176.300 -0.228 0.000 0.987 328 D CA 1.149 55.060 54.000 -0.150 0.000 0.829 328 D CB -0.387 40.335 40.800 -0.130 0.000 0.961 328 D HN 0.082 nan 8.370 nan 0.000 0.460 329 K N 0.421 120.647 120.400 -0.290 0.000 2.009 329 K HA -0.157 4.164 4.320 0.001 0.000 0.210 329 K C 2.362 178.422 176.600 -0.900 0.000 1.049 329 K CA 1.595 57.493 56.287 -0.650 0.000 0.929 329 K CB -0.221 31.993 32.500 -0.476 0.000 0.714 329 K HN 0.275 nan 8.250 nan 0.000 0.440 330 E N 0.386 120.213 120.200 -0.622 0.000 2.153 330 E HA -0.186 4.165 4.350 0.001 0.000 0.194 330 E C 1.992 178.433 176.600 -0.264 0.000 0.988 330 E CA 1.026 57.111 56.400 -0.525 0.000 0.811 330 E CB -0.075 29.292 29.700 -0.556 0.000 0.746 330 E HN 0.363 nan 8.360 nan 0.000 0.466 331 A N 0.588 123.280 122.820 -0.214 0.000 1.897 331 A HA -0.104 4.216 4.320 0.001 0.000 0.215 331 A C 2.445 180.043 177.584 0.022 0.000 1.181 331 A CA 0.899 52.884 52.037 -0.086 0.000 0.620 331 A CB -0.437 18.512 19.000 -0.085 0.000 0.821 331 A HN 0.108 nan 8.150 nan 0.000 0.443 332 V N -0.679 119.225 119.914 -0.018 0.000 2.307 332 V HA -0.252 3.869 4.120 0.001 0.000 0.245 332 V C 2.342 178.657 176.094 0.368 0.000 1.045 332 V CA 1.953 64.356 62.300 0.171 0.000 1.024 332 V CB -1.070 30.794 31.823 0.068 0.000 0.651 332 V HN 0.638 nan 8.190 nan 0.000 0.449 333 F N 0.324 120.366 119.950 0.154 0.000 2.069 333 F HA -0.248 4.280 4.527 0.001 0.000 0.298 333 F C 2.612 178.501 175.800 0.148 0.000 1.113 333 F CA 1.452 59.550 58.000 0.164 0.000 1.214 333 F CB -0.430 38.592 39.000 0.037 0.000 0.978 333 F HN 0.248 nan 8.300 nan 0.000 0.474 334 D N 0.814 121.383 120.400 0.281 0.000 2.106 334 D HA -0.170 4.470 4.640 0.001 0.000 0.191 334 D C 2.104 178.514 176.300 0.182 0.000 0.997 334 D CA 1.479 55.582 54.000 0.171 0.000 0.834 334 D CB -0.379 40.470 40.800 0.082 0.000 0.956 334 D HN 0.035 nan 8.370 nan 0.000 0.448 335 V N 0.014 120.059 119.914 0.218 0.000 2.427 335 V HA -0.185 3.936 4.120 0.001 0.000 0.248 335 V C 2.773 179.062 176.094 0.324 0.000 1.051 335 V CA 1.187 63.620 62.300 0.221 0.000 1.048 335 V CB -0.364 31.584 31.823 0.209 0.000 0.666 335 V HN 0.115 nan 8.190 nan 0.000 0.456 336 V N 0.443 120.620 119.914 0.439 0.000 2.287 336 V HA -0.285 3.836 4.120 0.001 0.000 0.248 336 V C 2.303 178.546 176.094 0.249 0.000 1.053 336 V CA 2.376 64.908 62.300 0.386 0.000 1.027 336 V CB -0.679 31.333 31.823 0.314 0.000 0.646 336 V HN 0.569 nan 8.190 nan 0.000 0.447 337 D N -0.527 120.002 120.400 0.215 0.000 2.144 337 D HA -0.115 4.526 4.640 0.001 0.000 0.200 337 D C 2.265 178.629 176.300 0.107 0.000 0.978 337 D CA 1.653 55.739 54.000 0.142 0.000 0.833 337 D CB -0.404 40.471 40.800 0.125 0.000 0.961 337 D HN 0.395 nan 8.370 nan 0.000 0.470 338 T N 1.312 115.932 114.554 0.109 0.000 2.708 338 T HA -0.064 4.286 4.350 0.001 0.000 0.266 338 T C 2.220 176.951 174.700 0.051 0.000 1.037 338 T CA 0.588 62.727 62.100 0.066 0.000 1.146 338 T CB -0.259 68.641 68.868 0.052 0.000 0.865 338 T HN 0.118 nan 8.240 nan 0.000 0.435 339 L N 0.640 121.910 121.223 0.079 0.000 2.046 339 L HA -0.118 4.223 4.340 0.001 0.000 0.208 339 L C 2.926 179.836 176.870 0.067 0.000 1.077 339 L CA 1.254 56.134 54.840 0.067 0.000 0.747 339 L CB -1.146 40.986 42.059 0.123 0.000 0.896 339 L HN 0.304 nan 8.230 nan 0.000 0.432 340 T N 0.003 114.613 114.554 0.093 0.000 2.708 340 T HA -0.187 4.164 4.350 0.001 0.000 0.266 340 T C 1.996 176.647 174.700 -0.081 0.000 1.037 340 T CA 1.455 63.583 62.100 0.047 0.000 1.146 340 T CB -0.224 68.704 68.868 0.100 0.000 0.865 340 T HN 0.454 nan 8.240 nan 0.000 0.435 341 A N 0.774 123.580 122.820 -0.023 0.000 1.855 341 A HA -0.001 4.319 4.320 0.001 0.000 0.215 341 A C 2.576 180.139 177.584 -0.035 0.000 1.191 341 A CA 1.483 53.501 52.037 -0.032 0.000 0.613 341 A CB -1.211 17.793 19.000 0.007 0.000 0.829 341 A HN 0.321 nan 8.150 nan 0.000 0.442 342 V N 0.281 120.184 119.914 -0.018 0.000 2.255 342 V HA -0.245 3.875 4.120 0.001 0.000 0.247 342 V C 2.423 178.492 176.094 -0.042 0.000 1.051 342 V CA 2.305 64.592 62.300 -0.023 0.000 1.018 342 V CB -0.551 31.258 31.823 -0.023 0.000 0.641 342 V HN 0.576 nan 8.190 nan 0.000 0.445 343 L N -0.393 120.805 121.223 -0.041 0.000 2.043 343 L HA -0.311 4.030 4.340 0.001 0.000 0.212 343 L C 2.789 179.619 176.870 -0.066 0.000 1.075 343 L CA 2.441 57.261 54.840 -0.033 0.000 0.752 343 L CB -0.638 41.439 42.059 0.031 0.000 0.891 343 L HN 0.449 nan 8.230 nan 0.000 0.432 344 Q N -0.916 118.798 119.800 -0.142 0.000 2.050 344 Q HA -0.184 4.157 4.340 0.001 0.000 0.202 344 Q C 2.327 178.298 176.000 -0.047 0.000 0.980 344 Q CA 1.563 57.287 55.803 -0.132 0.000 0.840 344 Q CB -0.175 28.424 28.738 -0.232 0.000 0.898 344 Q HN 0.358 nan 8.270 nan 0.000 0.424 345 V N 1.057 120.960 119.914 -0.018 0.000 2.332 345 V HA -0.314 3.807 4.120 0.001 0.000 0.248 345 V C 2.282 178.260 176.094 -0.193 0.000 1.055 345 V CA 1.836 64.144 62.300 0.014 0.000 1.038 345 V CB -1.059 30.812 31.823 0.079 0.000 0.651 345 V HN 0.415 nan 8.190 nan 0.000 0.450 346 A N -0.270 122.466 122.820 -0.139 0.000 1.883 346 A HA -0.268 4.053 4.320 0.001 0.000 0.217 346 A C 2.408 179.873 177.584 -0.200 0.000 1.186 346 A CA 2.717 54.653 52.037 -0.167 0.000 0.624 346 A CB -1.146 17.788 19.000 -0.109 0.000 0.822 346 A HN 0.497 nan 8.150 nan 0.000 0.444 347 T N -0.190 114.283 114.554 -0.136 0.000 2.607 347 T HA -0.116 4.235 4.350 0.001 0.000 0.267 347 T C 2.004 176.599 174.700 -0.175 0.000 1.049 347 T CA 1.875 63.913 62.100 -0.103 0.000 1.162 347 T CB -0.932 67.919 68.868 -0.028 0.000 0.863 347 T HN 0.636 nan 8.240 nan 0.000 0.424 348 G N 0.979 109.633 108.800 -0.244 0.000 2.476 348 G HA2 -0.228 3.733 3.960 0.001 0.000 0.218 348 G HA3 -0.228 3.733 3.960 0.001 0.000 0.218 348 G C 1.731 176.133 174.900 -0.830 0.000 1.164 348 G CA 1.171 46.033 45.100 -0.397 0.000 0.768 348 G HN 0.447 nan 8.290 nan 0.000 0.560 349 V N 1.395 120.653 119.914 -1.093 0.000 2.295 349 V HA -0.154 3.967 4.120 0.001 0.000 0.246 349 V C 2.801 178.733 176.094 -0.270 0.000 1.049 349 V CA 1.315 63.187 62.300 -0.714 0.000 1.024 349 V CB -0.314 31.227 31.823 -0.470 0.000 0.648 349 V HN 0.307 nan 8.190 nan 0.000 0.447 350 I N 1.029 121.480 120.570 -0.198 0.000 2.315 350 I HA -0.153 4.018 4.170 0.001 0.000 0.248 350 I C 2.660 178.770 176.117 -0.013 0.000 1.117 350 I CA 2.113 63.375 61.300 -0.064 0.000 1.404 350 I CB -1.244 36.715 38.000 -0.069 0.000 1.071 350 I HN 0.556 nan 8.210 nan 0.000 0.419 351 S N 0.204 115.880 115.700 -0.040 0.000 2.395 351 S HA -0.099 4.372 4.470 0.001 0.000 0.225 351 S C 1.850 176.479 174.600 0.048 0.000 1.027 351 S CA 1.227 59.437 58.200 0.016 0.000 0.965 351 S CB -0.847 62.365 63.200 0.020 0.000 0.812 351 S HN 0.548 nan 8.310 nan 0.000 0.482 352 T N 0.587 115.169 114.554 0.047 0.000 3.107 352 T HA 0.393 4.744 4.350 0.001 0.000 0.249 352 T C 0.465 175.225 174.700 0.101 0.000 1.096 352 T CA -0.376 61.786 62.100 0.103 0.000 1.012 352 T CB -0.858 68.130 68.868 0.201 0.000 0.977 352 T HN 0.447 nan 8.240 nan 0.000 0.527 353 L N 1.309 122.580 121.223 0.080 0.000 2.436 353 L HA 0.521 4.862 4.340 0.001 0.000 0.265 353 L C -0.214 176.709 176.870 0.088 0.000 1.168 353 L CA -0.748 54.148 54.840 0.093 0.000 0.815 353 L CB 0.299 42.419 42.059 0.102 0.000 1.109 353 L HN 0.292 nan 8.230 nan 0.000 0.462 354 Q N 3.710 123.550 119.800 0.065 0.000 2.333 354 Q HA 0.650 4.991 4.340 0.001 0.000 0.265 354 Q C -0.526 175.467 176.000 -0.011 0.000 0.989 354 Q CA -0.759 55.064 55.803 0.033 0.000 0.842 354 Q CB 1.777 30.533 28.738 0.030 0.000 1.262 354 Q HN 0.826 nan 8.270 nan 0.000 0.451 355 I N -0.652 119.874 120.570 -0.074 0.000 2.834 355 I HA 0.475 4.646 4.170 0.001 0.000 0.305 355 I C -0.050 175.972 176.117 -0.158 0.000 1.008 355 I CA -0.654 60.520 61.300 -0.210 0.000 1.273 355 I CB 1.691 39.406 38.000 -0.475 0.000 1.432 355 I HN 0.577 nan 8.210 nan 0.000 0.557 356 S N 2.658 118.256 115.700 -0.170 0.000 2.426 356 S HA 0.319 4.789 4.470 0.001 0.000 0.236 356 S C 0.717 175.234 174.600 -0.138 0.000 1.368 356 S CA -0.821 57.319 58.200 -0.101 0.000 1.154 356 S CB 0.243 63.422 63.200 -0.033 0.000 1.037 356 S HN 0.761 nan 8.310 nan 0.000 0.481 357 K N 2.212 122.523 120.400 -0.147 0.000 2.173 357 K HA -0.182 4.139 4.320 0.001 0.000 0.207 357 K C 1.688 178.232 176.600 -0.093 0.000 1.046 357 K CA 1.824 58.024 56.287 -0.145 0.000 0.929 357 K CB 0.022 32.465 32.500 -0.094 0.000 0.720 357 K HN 0.666 nan 8.250 nan 0.000 0.453 358 E N 0.848 121.016 120.200 -0.054 0.000 2.017 358 E HA -0.173 4.178 4.350 0.001 0.000 0.193 358 E C 1.803 178.397 176.600 -0.009 0.000 0.997 358 E CA 1.331 57.718 56.400 -0.023 0.000 0.804 358 E CB -0.252 29.442 29.700 -0.011 0.000 0.757 358 E HN 0.453 nan 8.360 nan 0.000 0.448 359 N N 0.371 119.077 118.700 0.010 0.000 2.223 359 N HA -0.124 4.616 4.740 0.001 0.000 0.185 359 N C 2.006 177.584 175.510 0.113 0.000 1.016 359 N CA 0.796 53.891 53.050 0.075 0.000 0.863 359 N CB -0.087 38.471 38.487 0.118 0.000 0.983 359 N HN 0.120 nan 8.380 nan 0.000 0.429 360 M N 0.840 120.419 119.600 -0.035 0.000 2.067 360 M HA -0.182 4.298 4.480 0.001 0.000 0.260 360 M C 2.350 178.528 176.300 -0.204 0.000 1.069 360 M CA 1.520 56.654 55.300 -0.277 0.000 1.117 360 M CB -0.193 32.127 32.600 -0.467 0.000 1.334 360 M HN 0.166 nan 8.290 nan 0.000 0.407 361 E N 0.639 120.760 120.200 -0.132 0.000 2.150 361 E HA -0.224 4.127 4.350 0.001 0.000 0.193 361 E C 1.976 178.539 176.600 -0.061 0.000 0.985 361 E CA 1.095 57.433 56.400 -0.102 0.000 0.814 361 E CB 0.010 29.703 29.700 -0.012 0.000 0.752 361 E HN 0.328 nan 8.360 nan 0.000 0.466 362 K N 0.401 120.795 120.400 -0.010 0.000 2.074 362 K HA -0.191 4.130 4.320 0.001 0.000 0.209 362 K C 1.966 178.569 176.600 0.006 0.000 1.048 362 K CA 1.396 57.696 56.287 0.020 0.000 0.926 362 K CB -0.273 32.244 32.500 0.029 0.000 0.713 362 K HN 0.175 nan 8.250 nan 0.000 0.444 363 A N 1.275 124.103 122.820 0.013 0.000 2.125 363 A HA -0.004 4.317 4.320 0.001 0.000 0.219 363 A C 0.913 178.434 177.584 -0.104 0.000 1.156 363 A CA 0.589 52.637 52.037 0.019 0.000 0.671 363 A CB -0.434 18.683 19.000 0.196 0.000 0.794 363 A HN 0.298 nan 8.150 nan 0.000 0.459 364 L N 2.018 123.095 121.223 -0.243 0.000 2.385 364 L HA 0.233 4.574 4.340 0.001 0.000 0.281 364 L C 0.581 177.343 176.870 -0.180 0.000 1.106 364 L CA -0.172 54.338 54.840 -0.549 0.000 0.856 364 L CB 0.374 41.596 42.059 -1.395 0.000 1.186 364 L HN 0.351 nan 8.230 nan 0.000 0.453 365 T N -0.251 114.282 114.554 -0.034 0.000 2.912 365 T HA 0.430 4.781 4.350 0.001 0.000 0.288 365 T C -2.106 172.764 174.700 0.283 0.000 1.030 365 T CA -2.154 60.045 62.100 0.166 0.000 1.020 365 T CB 2.180 71.091 68.868 0.072 0.000 1.056 365 T HN 0.163 nan 8.240 nan 0.000 0.480 366 P HA -0.034 nan 4.420 nan 0.000 0.219 366 P C 1.029 178.454 177.300 0.208 0.000 1.146 366 P CA 0.832 64.088 63.100 0.260 0.000 0.808 366 P CB 0.058 31.865 31.700 0.177 0.000 0.779 367 E N -1.062 119.224 120.200 0.144 0.000 2.265 367 E HA -0.115 4.235 4.350 0.001 0.000 0.196 367 E C 1.665 178.326 176.600 0.100 0.000 0.996 367 E CA 1.092 57.558 56.400 0.109 0.000 0.832 367 E CB -0.852 28.892 29.700 0.073 0.000 0.756 367 E HN 0.355 nan 8.360 nan 0.000 0.491 368 M N -0.308 119.354 119.600 0.104 0.000 2.618 368 M HA 0.024 4.504 4.480 0.001 0.000 0.240 368 M C 0.527 176.884 176.300 0.095 0.000 1.123 368 M CA 0.422 55.766 55.300 0.073 0.000 1.060 368 M CB 0.343 32.956 32.600 0.023 0.000 1.535 368 M HN 0.040 nan 8.290 nan 0.000 0.507 369 L N -0.501 120.792 121.223 0.117 0.000 2.607 369 L HA 0.246 4.586 4.340 0.001 0.000 0.228 369 L C 2.395 179.257 176.870 -0.013 0.000 1.123 369 L CA 0.468 55.330 54.840 0.037 0.000 0.890 369 L CB -1.454 40.598 42.059 -0.012 0.000 1.103 369 L HN 0.198 nan 8.230 nan 0.000 0.468 370 A N 0.272 123.130 122.820 0.063 0.000 1.940 370 A HA -0.178 4.143 4.320 0.001 0.000 0.219 370 A C 2.335 179.962 177.584 0.071 0.000 1.176 370 A CA 2.286 54.373 52.037 0.084 0.000 0.631 370 A CB -0.503 18.562 19.000 0.109 0.000 0.814 370 A HN 0.382 nan 8.150 nan 0.000 0.446 371 T N 0.455 115.042 114.554 0.056 0.000 2.708 371 T HA -0.119 4.232 4.350 0.001 0.000 0.266 371 T C 1.381 176.106 174.700 0.041 0.000 1.037 371 T CA 1.452 63.585 62.100 0.056 0.000 1.146 371 T CB -0.415 68.487 68.868 0.057 0.000 0.865 371 T HN 0.503 nan 8.240 nan 0.000 0.435 372 D N 0.973 121.376 120.400 0.005 0.000 2.264 372 D HA -0.011 4.630 4.640 0.001 0.000 0.208 372 D C 1.985 178.276 176.300 -0.015 0.000 0.966 372 D CA 0.328 54.309 54.000 -0.031 0.000 0.864 372 D CB -0.311 40.445 40.800 -0.074 0.000 0.933 372 D HN 0.192 nan 8.370 nan 0.000 0.499 373 L N 1.093 122.303 121.223 -0.022 0.000 2.046 373 L HA -0.074 4.266 4.340 0.001 0.000 0.208 373 L C 2.168 179.193 176.870 0.258 0.000 1.077 373 L CA 1.502 56.379 54.840 0.062 0.000 0.747 373 L CB -0.617 41.485 42.059 0.072 0.000 0.896 373 L HN -0.036 nan 8.230 nan 0.000 0.432 374 A N -0.671 122.277 122.820 0.212 0.000 1.898 374 A HA -0.129 4.191 4.320 0.001 0.000 0.216 374 A C 2.225 179.905 177.584 0.161 0.000 1.181 374 A CA 1.708 53.895 52.037 0.250 0.000 0.620 374 A CB -0.866 18.323 19.000 0.315 0.000 0.819 374 A HN 0.471 nan 8.150 nan 0.000 0.442 375 L N -1.791 119.471 121.223 0.065 0.000 2.127 375 L HA -0.233 4.108 4.340 0.001 0.000 0.211 375 L C 2.556 179.425 176.870 -0.001 0.000 1.089 375 L CA 1.795 56.612 54.840 -0.039 0.000 0.757 375 L CB -0.694 41.313 42.059 -0.086 0.000 0.899 375 L HN 0.633 nan 8.230 nan 0.000 0.434 376 Y N 0.735 121.034 120.300 -0.003 0.000 2.165 376 Y HA -0.252 4.299 4.550 0.002 0.000 0.286 376 Y C 2.299 178.204 175.900 0.009 0.000 1.155 376 Y CA 1.582 59.696 58.100 0.024 0.000 1.164 376 Y CB -0.135 38.392 38.460 0.112 0.000 0.978 376 Y HN 0.006 nan 8.280 nan 0.000 0.513 377 L N -0.280 120.976 121.223 0.055 0.000 2.093 377 L HA -0.151 4.190 4.340 0.001 0.000 0.208 377 L C 2.592 179.380 176.870 -0.136 0.000 1.085 377 L CA 1.195 55.971 54.840 -0.107 0.000 0.755 377 L CB -0.873 41.156 42.059 -0.049 0.000 0.904 377 L HN 0.356 nan 8.230 nan 0.000 0.435 378 V N -2.285 117.582 119.914 -0.080 0.000 2.427 378 V HA -0.216 3.905 4.120 0.001 0.000 0.248 378 V C 2.425 178.439 176.094 -0.134 0.000 1.051 378 V CA 1.328 63.578 62.300 -0.084 0.000 1.048 378 V CB -0.745 31.016 31.823 -0.104 0.000 0.666 378 V HN 0.380 nan 8.190 nan 0.000 0.456 379 R N 0.450 120.837 120.500 -0.189 0.000 2.148 379 R HA -0.037 4.304 4.340 0.001 0.000 0.223 379 R C 2.254 178.420 176.300 -0.224 0.000 1.088 379 R CA 1.328 57.308 56.100 -0.201 0.000 0.985 379 R CB -0.311 29.853 30.300 -0.227 0.000 0.880 379 R HN 0.410 nan 8.270 nan 0.000 0.451 380 K N -0.335 119.886 120.400 -0.298 0.000 2.486 380 K HA -0.007 4.314 4.320 0.001 0.000 0.194 380 K C 0.849 177.356 176.600 -0.155 0.000 1.033 380 K CA 0.958 57.089 56.287 -0.260 0.000 1.004 380 K CB 0.291 32.587 32.500 -0.340 0.000 0.798 380 K HN 0.316 nan 8.250 nan 0.000 0.495 381 G N -0.963 107.759 108.800 -0.129 0.000 2.218 381 G HA2 -0.209 3.752 3.960 0.001 0.000 0.216 381 G HA3 -0.209 3.752 3.960 0.001 0.000 0.216 381 G C -0.296 174.569 174.900 -0.059 0.000 0.994 381 G CA 0.005 45.056 45.100 -0.082 0.000 0.637 381 G HN 0.105 nan 8.290 nan 0.000 0.505 382 V N 3.074 122.946 119.914 -0.069 0.000 2.485 382 V HA 0.299 4.420 4.120 0.001 0.000 0.287 382 V C -1.307 174.799 176.094 0.019 0.000 1.022 382 V CA -0.695 61.583 62.300 -0.036 0.000 1.067 382 V CB 0.832 32.619 31.823 -0.059 0.000 0.967 382 V HN 0.163 nan 8.190 nan 0.000 0.479 383 P HA -0.036 nan 4.420 nan 0.000 0.264 383 P C 0.759 178.160 177.300 0.168 0.000 1.183 383 P CA 0.330 63.477 63.100 0.080 0.000 0.763 383 P CB 0.311 32.041 31.700 0.050 0.000 0.807 384 F N 3.122 123.080 119.950 0.013 0.000 2.120 384 F HA -0.332 4.196 4.527 0.002 0.000 0.300 384 F C 2.316 178.164 175.800 0.080 0.000 1.095 384 F CA 1.068 59.093 58.000 0.040 0.000 1.249 384 F CB 0.105 39.127 39.000 0.036 0.000 0.995 384 F HN 0.219 nan 8.300 nan 0.000 0.480 385 R N 0.768 121.287 120.500 0.030 0.000 2.103 385 R HA -0.205 4.136 4.340 0.001 0.000 0.242 385 R C 2.116 178.380 176.300 -0.061 0.000 1.142 385 R CA 2.126 58.165 56.100 -0.101 0.000 0.960 385 R CB -0.564 29.708 30.300 -0.046 0.000 0.858 385 R HN 0.466 nan 8.270 nan 0.000 0.439 386 Q N -1.609 118.196 119.800 0.009 0.000 2.163 386 Q HA 0.126 4.467 4.340 0.001 0.000 0.198 386 Q C 1.977 178.009 176.000 0.054 0.000 0.954 386 Q CA 1.050 56.860 55.803 0.011 0.000 0.851 386 Q CB 0.041 28.784 28.738 0.008 0.000 0.928 386 Q HN 0.378 nan 8.270 nan 0.000 0.459 387 A N 0.548 123.439 122.820 0.119 0.000 2.015 387 A HA -0.205 4.116 4.320 0.001 0.000 0.219 387 A C 1.720 179.458 177.584 0.256 0.000 1.163 387 A CA 1.385 53.525 52.037 0.172 0.000 0.646 387 A CB -0.655 18.476 19.000 0.219 0.000 0.806 387 A HN 0.493 nan 8.150 nan 0.000 0.448 388 H N 0.150 119.261 119.070 0.068 0.000 2.307 388 H HA -0.116 4.441 4.556 0.001 0.000 0.303 388 H C 2.395 177.734 175.328 0.018 0.000 1.073 388 H CA 1.754 57.804 56.048 0.004 0.000 1.338 388 H CB 0.083 29.651 29.762 -0.323 0.000 1.389 388 H HN 0.544 nan 8.280 nan 0.000 0.503 389 T N -1.011 113.533 114.554 -0.016 0.000 2.849 389 T HA -0.093 4.258 4.350 0.001 0.000 0.270 389 T C 2.066 176.794 174.700 0.046 0.000 1.066 389 T CA 0.889 62.943 62.100 -0.078 0.000 1.130 389 T CB -0.500 68.303 68.868 -0.109 0.000 0.864 389 T HN 0.456 nan 8.240 nan 0.000 0.481 390 A N 1.575 124.459 122.820 0.107 0.000 1.855 390 A HA 0.027 4.348 4.320 0.001 0.000 0.215 390 A C 2.689 180.419 177.584 0.244 0.000 1.191 390 A CA 1.857 53.990 52.037 0.161 0.000 0.613 390 A CB -1.328 17.761 19.000 0.148 0.000 0.829 390 A HN 0.517 nan 8.150 nan 0.000 0.442 391 S N -0.500 115.370 115.700 0.284 0.000 2.419 391 S HA -0.040 4.431 4.470 0.001 0.000 0.233 391 S C 1.931 176.667 174.600 0.226 0.000 1.016 391 S CA 1.653 60.026 58.200 0.288 0.000 0.974 391 S CB -0.622 62.747 63.200 0.282 0.000 0.786 391 S HN 0.702 nan 8.310 nan 0.000 0.492 392 G N 1.141 110.065 108.800 0.208 0.000 2.402 392 G HA2 -0.145 3.816 3.960 0.001 0.000 0.216 392 G HA3 -0.145 3.816 3.960 0.001 0.000 0.216 392 G C 1.526 176.511 174.900 0.141 0.000 1.162 392 G CA 0.596 45.793 45.100 0.162 0.000 0.777 392 G HN 0.551 nan 8.290 nan 0.000 0.539 393 K N 0.721 121.182 120.400 0.103 0.000 2.097 393 K HA 0.026 4.346 4.320 0.001 0.000 0.206 393 K C 2.924 179.604 176.600 0.133 0.000 1.049 393 K CA 0.911 57.236 56.287 0.062 0.000 0.933 393 K CB -0.220 32.299 32.500 0.032 0.000 0.717 393 K HN 0.269 nan 8.250 nan 0.000 0.442 394 A N 1.607 124.514 122.820 0.144 0.000 1.851 394 A HA -0.174 4.147 4.320 0.001 0.000 0.216 394 A C 2.480 180.134 177.584 0.118 0.000 1.195 394 A CA 2.202 54.309 52.037 0.116 0.000 0.622 394 A CB -1.071 17.998 19.000 0.115 0.000 0.831 394 A HN 0.203 nan 8.150 nan 0.000 0.444 395 V N -2.537 117.460 119.914 0.139 0.000 2.490 395 V HA -0.269 3.852 4.120 0.001 0.000 0.250 395 V C 2.367 178.530 176.094 0.115 0.000 1.061 395 V CA 2.530 64.901 62.300 0.118 0.000 1.064 395 V CB -1.349 30.548 31.823 0.122 0.000 0.670 395 V HN 0.741 nan 8.190 nan 0.000 0.461 396 H N 0.801 119.899 119.070 0.046 0.000 2.270 396 H HA -0.149 4.408 4.556 0.001 0.000 0.299 396 H C 2.163 177.504 175.328 0.022 0.000 1.077 396 H CA 2.634 58.702 56.048 0.033 0.000 1.294 396 H CB -0.195 29.587 29.762 0.033 0.000 1.371 396 H HN 0.465 nan 8.280 nan 0.000 0.491 397 L N 1.252 122.659 121.223 0.307 0.000 2.265 397 L HA -0.015 4.326 4.340 0.001 0.000 0.215 397 L C 2.619 179.522 176.870 0.056 0.000 1.117 397 L CA 1.748 56.702 54.840 0.189 0.000 0.782 397 L CB -1.014 41.130 42.059 0.141 0.000 0.914 397 L HN 0.376 nan 8.230 nan 0.000 0.441 398 A N -0.739 122.106 122.820 0.041 0.000 1.873 398 A HA -0.194 4.126 4.320 0.001 0.000 0.215 398 A C 2.178 179.752 177.584 -0.018 0.000 1.186 398 A CA 1.707 53.746 52.037 0.003 0.000 0.616 398 A CB -0.509 18.499 19.000 0.014 0.000 0.823 398 A HN 0.576 nan 8.150 nan 0.000 0.442 399 E N -0.742 119.438 120.200 -0.034 0.000 2.072 399 E HA -0.119 4.232 4.350 0.001 0.000 0.191 399 E C 2.099 178.657 176.600 -0.069 0.000 0.985 399 E CA 1.481 57.846 56.400 -0.058 0.000 0.801 399 E CB -0.382 29.265 29.700 -0.089 0.000 0.750 399 E HN 0.596 nan 8.360 nan 0.000 0.452 400 T N 1.791 116.292 114.554 -0.088 0.000 2.624 400 T HA -0.200 4.151 4.350 0.001 0.000 0.268 400 T C 1.590 176.270 174.700 -0.033 0.000 1.041 400 T CA 1.541 63.602 62.100 -0.065 0.000 1.159 400 T CB -0.197 68.654 68.868 -0.029 0.000 0.863 400 T HN 0.119 nan 8.240 nan 0.000 0.434 401 K N 0.724 121.110 120.400 -0.023 0.000 2.525 401 K HA 0.243 4.564 4.320 0.001 0.000 0.192 401 K C 1.251 177.834 176.600 -0.027 0.000 1.029 401 K CA 0.313 56.587 56.287 -0.022 0.000 1.029 401 K CB -0.056 32.431 32.500 -0.022 0.000 0.814 401 K HN 0.433 nan 8.250 nan 0.000 0.503 402 G N 2.791 111.573 108.800 -0.030 0.000 2.323 402 G HA2 -0.257 3.703 3.960 0.001 0.000 0.292 402 G HA3 -0.257 3.703 3.960 0.001 0.000 0.292 402 G C 0.009 174.892 174.900 -0.028 0.000 1.040 402 G CA 0.764 45.847 45.100 -0.028 0.000 0.942 402 G HN 0.517 nan 8.290 nan 0.000 0.506 403 I N -3.492 117.059 120.570 -0.031 0.000 2.969 403 I HA 0.839 5.010 4.170 0.001 0.000 0.307 403 I C 0.369 176.465 176.117 -0.036 0.000 1.149 403 I CA -0.837 60.440 61.300 -0.039 0.000 1.008 403 I CB 2.041 40.008 38.000 -0.054 0.000 1.232 403 I HN 0.186 nan 8.210 nan 0.000 0.435 404 T N 1.003 115.532 114.554 -0.042 0.000 2.907 404 T HA 0.307 4.657 4.350 0.001 0.000 0.298 404 T C 1.502 176.160 174.700 -0.069 0.000 1.017 404 T CA -0.363 61.720 62.100 -0.028 0.000 1.118 404 T CB 1.042 69.900 68.868 -0.017 0.000 0.948 404 T HN 0.758 nan 8.240 nan 0.000 0.531 405 I N 0.625 121.185 120.570 -0.016 0.000 2.479 405 I HA -0.270 3.901 4.170 0.001 0.000 0.258 405 I C 1.941 177.840 176.117 -0.362 0.000 1.165 405 I CA 1.692 62.968 61.300 -0.040 0.000 1.422 405 I CB -0.827 37.277 38.000 0.174 0.000 1.087 405 I HN 0.694 nan 8.210 nan 0.000 0.441 406 N N 1.813 120.233 118.700 -0.467 0.000 2.550 406 N HA -0.133 4.608 4.740 0.001 0.000 0.186 406 N C 1.142 176.264 175.510 -0.647 0.000 1.110 406 N CA 0.726 53.159 53.050 -1.029 0.000 0.912 406 N CB -0.298 37.893 38.487 -0.494 0.000 0.968 406 N HN 0.488 nan 8.380 nan 0.000 0.448 407 K N 0.497 120.669 120.400 -0.380 0.000 2.367 407 K HA 0.266 4.586 4.320 0.001 0.000 0.194 407 K C 0.702 177.163 176.600 -0.232 0.000 1.027 407 K CA -0.285 55.847 56.287 -0.258 0.000 1.075 407 K CB 0.503 32.907 32.500 -0.161 0.000 0.845 407 K HN 0.227 nan 8.250 nan 0.000 0.529 408 L N 2.772 123.836 121.223 -0.265 0.000 2.485 408 L HA -0.022 4.319 4.340 0.001 0.000 0.275 408 L C 0.929 177.672 176.870 -0.210 0.000 1.207 408 L CA -0.059 54.660 54.840 -0.201 0.000 0.855 408 L CB 0.314 42.257 42.059 -0.193 0.000 1.114 408 L HN 0.094 nan 8.230 nan 0.000 0.485 409 S N 2.177 117.792 115.700 -0.143 0.000 2.632 409 S HA 0.177 4.648 4.470 0.001 0.000 0.271 409 S C 0.759 175.292 174.600 -0.112 0.000 1.260 409 S CA -0.861 57.268 58.200 -0.120 0.000 1.010 409 S CB 1.485 64.639 63.200 -0.077 0.000 0.965 409 S HN 0.568 nan 8.310 nan 0.000 0.534 410 L N 1.234 122.404 121.223 -0.089 0.000 2.043 410 L HA -0.115 4.226 4.340 0.001 0.000 0.212 410 L C 2.525 179.387 176.870 -0.014 0.000 1.075 410 L CA 2.419 57.226 54.840 -0.055 0.000 0.752 410 L CB -1.097 40.949 42.059 -0.021 0.000 0.891 410 L HN 1.041 nan 8.230 nan 0.000 0.432 411 E N -0.658 119.534 120.200 -0.014 0.000 2.033 411 E HA -0.286 4.065 4.350 0.001 0.000 0.199 411 E C 1.772 178.378 176.600 0.011 0.000 1.011 411 E CA 1.879 58.282 56.400 0.005 0.000 0.815 411 E CB -0.221 29.477 29.700 -0.004 0.000 0.755 411 E HN 0.610 nan 8.360 nan 0.000 0.451 412 D N 0.632 121.023 120.400 -0.014 0.000 2.104 412 D HA -0.175 4.466 4.640 0.001 0.000 0.194 412 D C 2.106 178.410 176.300 0.006 0.000 0.994 412 D CA 0.741 54.736 54.000 -0.009 0.000 0.830 412 D CB -0.187 40.591 40.800 -0.036 0.000 0.959 412 D HN 0.232 nan 8.370 nan 0.000 0.452 413 L N 1.072 122.265 121.223 -0.050 0.000 2.079 413 L HA -0.159 4.182 4.340 0.001 0.000 0.210 413 L C 2.235 179.261 176.870 0.260 0.000 1.081 413 L CA 1.479 56.272 54.840 -0.077 0.000 0.752 413 L CB -0.757 41.045 42.059 -0.428 0.000 0.896 413 L HN 0.070 nan 8.230 nan 0.000 0.433 414 K N -0.313 120.199 120.400 0.187 0.000 2.155 414 K HA -0.102 4.219 4.320 0.001 0.000 0.203 414 K C 2.174 178.863 176.600 0.148 0.000 1.052 414 K CA 1.374 57.783 56.287 0.203 0.000 0.948 414 K CB -0.052 32.524 32.500 0.126 0.000 0.728 414 K HN 0.378 nan 8.250 nan 0.000 0.448 415 S N 0.986 116.749 115.700 0.105 0.000 2.419 415 S HA -0.130 4.341 4.470 0.001 0.000 0.235 415 S C 1.905 176.560 174.600 0.091 0.000 1.019 415 S CA 0.962 59.208 58.200 0.076 0.000 0.982 415 S CB -0.454 62.777 63.200 0.051 0.000 0.789 415 S HN 0.209 nan 8.310 nan 0.000 0.490 416 I N 0.172 120.830 120.570 0.146 0.000 2.429 416 I HA 0.140 4.311 4.170 0.001 0.000 0.247 416 I C 1.082 177.290 176.117 0.151 0.000 1.099 416 I CA 0.573 61.971 61.300 0.164 0.000 1.422 416 I CB 0.031 38.179 38.000 0.247 0.000 1.112 416 I HN 0.307 nan 8.210 nan 0.000 0.430 417 S N -0.629 115.191 115.700 0.200 0.000 2.649 417 S HA 0.334 4.804 4.470 0.001 0.000 0.274 417 S C -2.220 172.409 174.600 0.050 0.000 1.176 417 S CA -1.086 57.134 58.200 0.033 0.000 0.988 417 S CB 1.512 64.592 63.200 -0.199 0.000 1.071 417 S HN -0.225 nan 8.310 nan 0.000 0.478 418 P HA -0.121 nan 4.420 nan 0.000 0.217 418 P C 1.234 178.559 177.300 0.042 0.000 1.148 418 P CA 0.958 64.087 63.100 0.048 0.000 0.828 418 P CB 0.178 31.892 31.700 0.023 0.000 0.783 419 Q N -1.613 118.159 119.800 -0.047 0.000 2.368 419 Q HA -0.078 4.263 4.340 0.001 0.000 0.210 419 Q C 0.354 176.397 176.000 0.071 0.000 0.982 419 Q CA 0.781 56.550 55.803 -0.057 0.000 0.884 419 Q CB -0.807 27.830 28.738 -0.167 0.000 0.933 419 Q HN 0.325 nan 8.270 nan 0.000 0.460 420 F N 0.610 120.674 119.950 0.190 0.000 2.467 420 F HA 0.112 4.640 4.527 0.001 0.000 0.362 420 F C 0.991 176.870 175.800 0.130 0.000 1.090 420 F CA -0.224 57.892 58.000 0.193 0.000 1.202 420 F CB 0.678 39.725 39.000 0.080 0.000 1.113 420 F HN -0.265 nan 8.300 nan 0.000 0.541 421 S N 0.628 116.547 115.700 0.366 0.000 2.837 421 S HA 0.301 4.772 4.470 0.001 0.000 0.314 421 S C 1.009 175.683 174.600 0.123 0.000 1.098 421 S CA -0.645 57.684 58.200 0.215 0.000 0.903 421 S CB 1.479 64.811 63.200 0.221 0.000 1.310 421 S HN 0.483 nan 8.310 nan 0.000 0.581 422 S N 1.872 117.626 115.700 0.090 0.000 2.428 422 S HA -0.113 4.358 4.470 0.001 0.000 0.230 422 S C 1.351 175.976 174.600 0.041 0.000 1.014 422 S CA 1.463 59.689 58.200 0.045 0.000 0.957 422 S CB -0.568 62.655 63.200 0.038 0.000 0.784 422 S HN 0.809 nan 8.310 nan 0.000 0.499 423 D N 1.681 122.135 120.400 0.091 0.000 2.269 423 D HA -0.055 4.586 4.640 0.001 0.000 0.208 423 D C 1.526 177.849 176.300 0.038 0.000 0.963 423 D CA 0.366 54.430 54.000 0.107 0.000 0.864 423 D CB -0.872 40.044 40.800 0.193 0.000 0.936 423 D HN 0.295 nan 8.370 nan 0.000 0.505 424 V N 1.345 121.167 119.914 -0.154 0.000 2.794 424 V HA -0.288 3.833 4.120 0.001 0.000 0.260 424 V C 2.613 178.647 176.094 -0.100 0.000 1.103 424 V CA 1.772 63.756 62.300 -0.526 0.000 1.125 424 V CB -1.250 30.235 31.823 -0.564 0.000 0.702 424 V HN 0.429 nan 8.190 nan 0.000 0.494 425 S N 0.130 115.831 115.700 0.002 0.000 2.399 425 S HA -0.279 4.192 4.470 0.001 0.000 0.231 425 S C 1.851 176.532 174.600 0.135 0.000 1.022 425 S CA 1.407 59.664 58.200 0.094 0.000 0.983 425 S CB -0.432 62.775 63.200 0.012 0.000 0.803 425 S HN 0.717 nan 8.310 nan 0.000 0.480 426 Q N 0.702 120.538 119.800 0.059 0.000 2.167 426 Q HA 0.009 4.350 4.340 0.001 0.000 0.202 426 Q C 2.231 178.224 176.000 -0.013 0.000 0.970 426 Q CA 1.343 57.166 55.803 0.035 0.000 0.855 426 Q CB -0.543 28.220 28.738 0.041 0.000 0.911 426 Q HN 0.509 nan 8.270 nan 0.000 0.438 427 V N 0.499 120.361 119.914 -0.087 0.000 2.660 427 V HA -0.213 3.908 4.120 0.001 0.000 0.257 427 V C 0.808 176.619 176.094 -0.471 0.000 1.088 427 V CA 1.362 63.489 62.300 -0.288 0.000 1.106 427 V CB -0.527 31.018 31.823 -0.464 0.000 0.686 427 V HN 0.236 nan 8.190 nan 0.000 0.481 428 F N 1.265 121.162 119.950 -0.089 0.000 2.640 428 F HA 0.424 4.952 4.527 0.002 0.000 0.331 428 F C 0.403 176.078 175.800 -0.209 0.000 1.200 428 F CA -0.326 57.595 58.000 -0.131 0.000 1.278 428 F CB -0.335 38.581 39.000 -0.141 0.000 1.571 428 F HN 0.132 nan 8.300 nan 0.000 0.576 429 N N -0.293 118.331 118.700 -0.127 0.000 2.406 429 N HA 0.284 5.024 4.740 0.001 0.000 0.283 429 N C 0.123 175.578 175.510 -0.092 0.000 1.074 429 N CA -0.620 52.312 53.050 -0.196 0.000 0.916 429 N CB 0.909 39.349 38.487 -0.080 0.000 1.639 429 N HN 0.086 nan 8.380 nan 0.000 0.485 430 F N 1.235 121.200 119.950 0.025 0.000 2.146 430 F HA -0.120 4.408 4.527 0.001 0.000 0.298 430 F C 2.069 177.884 175.800 0.025 0.000 1.096 430 F CA 0.504 58.516 58.000 0.020 0.000 1.275 430 F CB 0.069 39.078 39.000 0.015 0.000 1.008 430 F HN 0.314 nan 8.300 nan 0.000 0.480 431 V N 0.693 120.721 119.914 0.189 0.000 2.287 431 V HA -0.324 3.797 4.120 0.001 0.000 0.248 431 V C 1.948 178.094 176.094 0.088 0.000 1.053 431 V CA 2.023 64.395 62.300 0.119 0.000 1.027 431 V CB -0.625 31.244 31.823 0.077 0.000 0.646 431 V HN 0.376 nan 8.190 nan 0.000 0.447 432 N N -0.372 118.362 118.700 0.056 0.000 2.309 432 N HA -0.116 4.624 4.740 0.001 0.000 0.182 432 N C 2.089 177.614 175.510 0.024 0.000 1.018 432 N CA 1.497 54.562 53.050 0.026 0.000 0.876 432 N CB -0.287 38.202 38.487 0.003 0.000 0.972 432 N HN 0.473 nan 8.380 nan 0.000 0.434 433 S N 0.530 116.274 115.700 0.073 0.000 2.348 433 S HA -0.052 4.419 4.470 0.001 0.000 0.221 433 S C 2.082 176.771 174.600 0.149 0.000 1.033 433 S CA 0.917 59.174 58.200 0.095 0.000 1.010 433 S CB -0.294 63.017 63.200 0.184 0.000 0.891 433 S HN 0.037 nan 8.310 nan 0.000 0.442 434 V N 2.355 122.387 119.914 0.196 0.000 2.343 434 V HA -0.060 4.060 4.120 0.001 0.000 0.247 434 V C 2.348 178.578 176.094 0.227 0.000 1.051 434 V CA 1.732 64.194 62.300 0.270 0.000 1.036 434 V CB -0.668 31.257 31.823 0.169 0.000 0.654 434 V HN 0.460 nan 8.190 nan 0.000 0.451 435 E N -0.080 120.178 120.200 0.097 0.000 2.510 435 E HA -0.202 4.149 4.350 0.001 0.000 0.202 435 E C 2.064 178.637 176.600 -0.046 0.000 1.072 435 E CA 0.593 57.017 56.400 0.040 0.000 0.883 435 E CB -0.233 29.482 29.700 0.024 0.000 0.818 435 E HN 0.697 nan 8.360 nan 0.000 0.548 436 Q N -0.713 118.979 119.800 -0.181 0.000 2.245 436 Q HA -0.076 4.265 4.340 0.001 0.000 0.201 436 Q C 0.101 175.830 176.000 -0.452 0.000 0.955 436 Q CA 0.615 56.175 55.803 -0.405 0.000 0.870 436 Q CB 0.057 28.378 28.738 -0.696 0.000 0.945 436 Q HN 0.381 nan 8.270 nan 0.000 0.461 437 Y N 0.742 121.034 120.300 -0.012 0.000 2.736 437 Y HA 0.080 4.630 4.550 0.001 0.000 0.339 437 Y C 1.262 177.154 175.900 -0.013 0.000 1.301 437 Y CA -0.014 58.077 58.100 -0.016 0.000 1.676 437 Y CB -0.272 38.179 38.460 -0.015 0.000 1.725 437 Y HN 0.062 nan 8.280 nan 0.000 0.466 438 T N -2.574 112.007 114.554 0.046 0.000 3.065 438 T HA 0.322 4.673 4.350 0.001 0.000 0.252 438 T C 1.095 175.812 174.700 0.029 0.000 1.099 438 T CA 0.065 62.185 62.100 0.032 0.000 1.063 438 T CB 0.012 68.879 68.868 -0.000 0.000 0.948 438 T HN 0.442 nan 8.240 nan 0.000 0.506 439 A N 2.996 125.837 122.820 0.034 0.000 2.498 439 A HA 0.457 4.778 4.320 0.001 0.000 0.239 439 A C 0.586 178.188 177.584 0.030 0.000 1.068 439 A CA -0.579 51.473 52.037 0.025 0.000 0.766 439 A CB -0.217 18.799 19.000 0.027 0.000 1.003 439 A HN 0.413 nan 8.150 nan 0.000 0.497 440 L N 1.144 122.376 121.223 0.014 0.000 2.737 440 L HA 0.061 4.402 4.340 0.001 0.000 0.279 440 L C 1.464 178.337 176.870 0.005 0.000 1.200 440 L CA 2.203 57.047 54.840 0.007 0.000 0.952 440 L CB -1.237 40.822 42.059 -0.001 0.000 1.240 440 L HN 1.625 nan 8.230 nan 0.000 0.486 441 A N 2.684 125.505 122.820 0.000 0.000 3.469 441 A HA -0.107 4.214 4.320 0.001 0.000 0.244 441 A C 1.041 178.619 177.584 -0.010 0.000 1.181 441 A CA 0.650 52.679 52.037 -0.014 0.000 1.418 441 A CB -2.041 16.944 19.000 -0.024 0.000 1.060 441 A HN 0.935 nan 8.150 nan 0.000 0.897 442 G N -1.372 107.445 108.800 0.027 0.000 2.631 442 G HA2 0.404 4.365 3.960 0.001 0.000 0.271 442 G HA3 0.404 4.365 3.960 0.001 0.000 0.271 442 G C 0.851 175.770 174.900 0.032 0.000 1.302 442 G CA 0.926 46.063 45.100 0.061 0.000 1.002 442 G HN 0.997 nan 8.290 nan 0.000 0.519 443 T N -0.700 113.874 114.554 0.033 0.000 3.107 443 T HA 0.425 4.776 4.350 0.001 0.000 0.249 443 T C 1.323 176.078 174.700 0.092 0.000 1.096 443 T CA 0.685 62.795 62.100 0.016 0.000 1.012 443 T CB -0.737 68.087 68.868 -0.072 0.000 0.977 443 T HN 0.837 nan 8.240 nan 0.000 0.527 444 A N 1.287 124.195 122.820 0.145 0.000 2.507 444 A HA 0.248 4.569 4.320 0.001 0.000 0.235 444 A C 1.598 179.222 177.584 0.066 0.000 1.070 444 A CA 0.092 52.196 52.037 0.111 0.000 0.768 444 A CB 0.078 19.133 19.000 0.091 0.000 1.011 444 A HN 0.546 nan 8.150 nan 0.000 0.502 445 K N 0.987 121.420 120.400 0.056 0.000 2.113 445 K HA -0.197 4.124 4.320 0.001 0.000 0.208 445 K C 2.044 178.662 176.600 0.030 0.000 1.047 445 K CA 2.168 58.480 56.287 0.042 0.000 0.928 445 K CB -0.208 32.316 32.500 0.040 0.000 0.716 445 K HN 0.870 nan 8.250 nan 0.000 0.446 446 S N -0.398 115.319 115.700 0.028 0.000 2.402 446 S HA -0.124 4.347 4.470 0.001 0.000 0.229 446 S C 2.111 176.721 174.600 0.017 0.000 1.021 446 S CA 1.466 59.678 58.200 0.019 0.000 0.974 446 S CB -0.269 62.941 63.200 0.016 0.000 0.800 446 S HN 0.347 nan 8.310 nan 0.000 0.484 447 S N 0.719 116.433 115.700 0.023 0.000 2.387 447 S HA -0.002 4.469 4.470 0.001 0.000 0.226 447 S C 1.806 176.409 174.600 0.006 0.000 1.026 447 S CA 1.032 59.243 58.200 0.018 0.000 0.972 447 S CB -0.576 62.644 63.200 0.032 0.000 0.814 447 S HN 0.424 nan 8.310 nan 0.000 0.477 448 V N 2.197 122.117 119.914 0.009 0.000 2.307 448 V HA -0.143 3.978 4.120 0.001 0.000 0.245 448 V C 2.888 178.979 176.094 -0.005 0.000 1.045 448 V CA 2.189 64.487 62.300 -0.003 0.000 1.024 448 V CB -1.621 30.205 31.823 0.005 0.000 0.651 448 V HN 0.787 nan 8.190 nan 0.000 0.449 449 T N -2.178 112.378 114.554 0.004 0.000 2.720 449 T HA -0.257 4.094 4.350 0.001 0.000 0.268 449 T C 1.807 176.505 174.700 -0.003 0.000 1.037 449 T CA 2.117 64.218 62.100 0.002 0.000 1.144 449 T CB -0.905 67.968 68.868 0.008 0.000 0.864 449 T HN 0.447 nan 8.240 nan 0.000 0.444 450 T N 1.943 116.496 114.554 -0.003 0.000 2.788 450 T HA -0.115 4.236 4.350 0.001 0.000 0.268 450 T C 2.167 176.859 174.700 -0.013 0.000 1.044 450 T CA 1.442 63.539 62.100 -0.006 0.000 1.139 450 T CB -0.340 68.526 68.868 -0.004 0.000 0.867 450 T HN 0.535 nan 8.240 nan 0.000 0.454 451 Q N 0.157 119.946 119.800 -0.018 0.000 2.016 451 Q HA 0.001 4.342 4.340 0.001 0.000 0.200 451 Q C 2.426 178.408 176.000 -0.029 0.000 0.978 451 Q CA 1.247 57.033 55.803 -0.029 0.000 0.833 451 Q CB -0.328 28.386 28.738 -0.039 0.000 0.895 451 Q HN 0.508 nan 8.270 nan 0.000 0.427 452 I N 0.979 121.534 120.570 -0.025 0.000 2.194 452 I HA -0.321 3.850 4.170 0.001 0.000 0.246 452 I C 2.031 178.138 176.117 -0.017 0.000 1.093 452 I CA 1.443 62.729 61.300 -0.023 0.000 1.355 452 I CB -0.352 37.639 38.000 -0.015 0.000 1.046 452 I HN 0.265 nan 8.210 nan 0.000 0.413 453 E N 0.423 120.615 120.200 -0.013 0.000 2.047 453 E HA -0.259 4.091 4.350 0.001 0.000 0.191 453 E C 2.243 178.836 176.600 -0.012 0.000 0.987 453 E CA 1.025 57.420 56.400 -0.010 0.000 0.799 453 E CB -0.183 29.514 29.700 -0.007 0.000 0.752 453 E HN 0.523 nan 8.360 nan 0.000 0.449 454 Q N 0.221 120.012 119.800 -0.015 0.000 2.096 454 Q HA -0.165 4.176 4.340 0.001 0.000 0.204 454 Q C 2.216 178.205 176.000 -0.019 0.000 0.982 454 Q CA 0.951 56.744 55.803 -0.017 0.000 0.850 454 Q CB 0.040 28.766 28.738 -0.020 0.000 0.901 454 Q HN 0.231 nan 8.270 nan 0.000 0.422 455 L N 0.162 121.370 121.223 -0.024 0.000 2.141 455 L HA -0.148 4.193 4.340 0.001 0.000 0.209 455 L C 2.205 179.064 176.870 -0.019 0.000 1.094 455 L CA 1.579 56.404 54.840 -0.026 0.000 0.763 455 L CB -0.749 41.289 42.059 -0.035 0.000 0.908 455 L HN 0.245 nan 8.230 nan 0.000 0.437 456 R N -0.435 120.055 120.500 -0.015 0.000 2.092 456 R HA -0.137 4.204 4.340 0.001 0.000 0.231 456 R C 2.126 178.420 176.300 -0.010 0.000 1.119 456 R CA 0.846 56.940 56.100 -0.011 0.000 0.970 456 R CB 0.056 30.351 30.300 -0.008 0.000 0.864 456 R HN 0.342 nan 8.270 nan 0.000 0.440 457 E N 0.744 120.938 120.200 -0.010 0.000 2.072 457 E HA -0.148 4.203 4.350 0.001 0.000 0.191 457 E C 2.115 178.709 176.600 -0.009 0.000 0.985 457 E CA 0.943 57.337 56.400 -0.009 0.000 0.801 457 E CB -0.119 29.576 29.700 -0.009 0.000 0.750 457 E HN 0.346 nan 8.360 nan 0.000 0.452 458 L N 0.258 121.475 121.223 -0.011 0.000 2.083 458 L HA -0.136 4.205 4.340 0.001 0.000 0.209 458 L C 2.623 179.488 176.870 -0.008 0.000 1.083 458 L CA 0.963 55.798 54.840 -0.010 0.000 0.752 458 L CB -0.375 41.677 42.059 -0.012 0.000 0.899 458 L HN 0.138 nan 8.230 nan 0.000 0.433 459 M N -0.703 118.892 119.600 -0.009 0.000 2.296 459 M HA -0.198 4.282 4.480 0.001 0.000 0.265 459 M C 2.283 178.578 176.300 -0.008 0.000 1.064 459 M CA 1.448 56.744 55.300 -0.007 0.000 1.109 459 M CB -0.304 32.292 32.600 -0.007 0.000 1.396 459 M HN 0.174 nan 8.290 nan 0.000 0.430 460 K N 0.964 121.359 120.400 -0.008 0.000 2.076 460 K HA -0.086 4.235 4.320 0.001 0.000 0.204 460 K C 1.771 178.365 176.600 -0.009 0.000 1.051 460 K CA 0.996 57.278 56.287 -0.009 0.000 0.949 460 K CB 0.191 32.687 32.500 -0.008 0.000 0.726 460 K HN 0.232 nan 8.250 nan 0.000 0.443 461 K N 0.657 121.052 120.400 -0.009 0.000 2.057 461 K HA -0.108 4.213 4.320 0.001 0.000 0.206 461 K C 1.453 178.047 176.600 -0.011 0.000 1.050 461 K CA 1.162 57.444 56.287 -0.009 0.000 0.935 461 K CB 0.009 32.505 32.500 -0.008 0.000 0.715 461 K HN 0.263 nan 8.250 nan 0.000 0.439 462 Q N 1.213 121.007 119.800 -0.010 0.000 2.319 462 Q HA 0.020 4.361 4.340 0.001 0.000 0.217 462 Q C -0.504 175.486 176.000 -0.017 0.000 0.924 462 Q CA 0.639 56.435 55.803 -0.012 0.000 0.964 462 Q CB -0.011 28.722 28.738 -0.008 0.000 1.025 462 Q HN 0.177 nan 8.270 nan 0.000 0.465 463 K N 0.000 120.390 120.400 -0.017 0.000 2.780 463 K HA 0.000 4.321 4.320 0.001 0.000 0.191 463 K CA 0.000 56.275 56.287 -0.020 0.000 0.838 463 K CB 0.000 32.489 32.500 -0.018 0.000 1.064 463 K HN 0.000 nan 8.250 nan 0.000 0.543