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 1say_1_A DATA FIRST_RESID 1 DATA SEQUENCE MEIGVPKEIK NQEFRVGLSP SSVRTLVEAG HTVFIETQAG IGAGFADQDY DATA SEQUENCE VQAGAQVVPS AKDAWSREMV VKVKEPLPAE YDLMQKDQLL FTYLHLAAAR DATA SEQUENCE ELTEQLMRVG LTAIAYETVE LPNRSLPLLT PMSIIAGRLS VQFGARFLER DATA SEQUENCE QQGGRGVLLG GVPGVKPGKV VILGGGVVGT EAAKMAVGLG AQVQIFDINV DATA SEQUENCE ERLSYLETLF GSRVELLYSN SAEIETAVAE ADLLIGAVLV PGRRAPILVP DATA SEQUENCE ASLVEQMRTG SVIVDVAVDQ GGCVETLHPT SHTQPTYEVF GVVHYGVPNM DATA SEQUENCE PGAVPWTATQ ALNNSTLPYV VKLANQGLKA LETDDALAKG LNVQAHRLVH DATA SEQUENCE PAVQQVFPDL A VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.417 176.300 0.194 0.000 1.140 1 M CA 0.000 55.433 55.300 0.221 0.000 0.988 1 M CB 0.000 32.648 32.600 0.080 0.000 1.302 2 E N 1.866 122.156 120.200 0.151 0.000 2.200 2 E HA 0.646 4.994 4.350 -0.003 0.000 0.283 2 E C -1.393 175.295 176.600 0.147 0.000 1.015 2 E CA -0.411 56.123 56.400 0.223 0.000 0.819 2 E CB 1.500 31.273 29.700 0.121 0.000 1.081 2 E HN 0.479 nan 8.360 nan 0.000 0.397 3 I N 2.048 122.746 120.570 0.214 0.000 2.498 3 I HA 0.416 4.584 4.170 -0.003 0.000 0.290 3 I C 0.251 176.468 176.117 0.166 0.000 1.032 3 I CA -0.665 60.703 61.300 0.113 0.000 1.073 3 I CB 2.168 40.202 38.000 0.056 0.000 1.251 3 I HN 0.473 nan 8.210 nan 0.000 0.426 4 G N 4.612 113.438 108.800 0.043 0.000 2.420 4 G HA2 0.662 4.621 3.960 -0.003 0.000 0.331 4 G HA3 0.662 4.621 3.960 -0.003 0.000 0.331 4 G C -1.236 173.600 174.900 -0.107 0.000 1.168 4 G CA -0.451 44.653 45.100 0.008 0.000 0.936 4 G HN 0.326 nan 8.290 nan 0.000 0.479 5 V N 3.638 123.486 119.914 -0.110 0.000 2.398 5 V HA 0.320 4.439 4.120 -0.003 0.000 0.282 5 V C -2.254 173.732 176.094 -0.179 0.000 1.014 5 V CA -1.333 60.868 62.300 -0.164 0.000 0.838 5 V CB 1.789 33.531 31.823 -0.135 0.000 1.018 5 V HN 0.577 nan 8.190 nan 0.000 0.432 6 P HA 0.260 nan 4.420 nan 0.000 0.276 6 P C -0.581 176.667 177.300 -0.087 0.000 1.244 6 P CA -0.632 62.361 63.100 -0.178 0.000 0.801 6 P CB 0.851 32.359 31.700 -0.320 0.000 1.006 7 K N 1.732 122.121 120.400 -0.018 0.000 2.350 7 K HA 0.064 4.382 4.320 -0.003 0.000 0.279 7 K C 0.061 176.680 176.600 0.031 0.000 1.027 7 K CA -0.226 56.068 56.287 0.011 0.000 0.969 7 K CB 0.269 32.787 32.500 0.031 0.000 0.954 7 K HN 0.335 nan 8.250 nan 0.000 0.474 8 E N 4.176 124.392 120.200 0.027 0.000 2.376 8 E HA -0.024 4.325 4.350 -0.003 0.000 0.266 8 E C 0.775 177.381 176.600 0.010 0.000 1.009 8 E CA 0.260 56.676 56.400 0.028 0.000 0.902 8 E CB 0.603 30.315 29.700 0.020 0.000 0.972 8 E HN 0.638 nan 8.360 nan 0.000 0.439 9 I N -0.394 120.193 120.570 0.029 0.000 4.139 9 I HA 0.222 4.391 4.170 -0.003 0.000 0.335 9 I C 0.884 176.989 176.117 -0.021 0.000 1.327 9 I CA -0.483 60.823 61.300 0.009 0.000 1.112 9 I CB 0.245 38.271 38.000 0.043 0.000 1.058 9 I HN 0.092 nan 8.210 nan 0.000 0.396 10 K N 3.451 123.842 120.400 -0.015 0.000 2.485 10 K HA -0.014 4.304 4.320 -0.003 0.000 0.277 10 K C 0.354 176.899 176.600 -0.093 0.000 0.990 10 K CA -0.023 56.248 56.287 -0.027 0.000 0.994 10 K CB 0.370 32.873 32.500 0.006 0.000 0.906 10 K HN 0.317 nan 8.250 nan 0.000 0.488 11 N N 3.182 121.835 118.700 -0.078 0.000 2.411 11 N HA -0.118 4.621 4.740 -0.003 0.000 0.261 11 N C -0.614 174.783 175.510 -0.189 0.000 1.248 11 N CA 0.536 53.516 53.050 -0.118 0.000 0.885 11 N CB 0.382 38.830 38.487 -0.065 0.000 1.062 11 N HN 0.622 nan 8.380 nan 0.000 0.471 12 Q N -0.537 119.062 119.800 -0.335 0.000 2.424 12 Q HA -0.224 4.114 4.340 -0.003 0.000 0.234 12 Q C -0.935 174.759 176.000 -0.510 0.000 0.748 12 Q CA 1.014 56.562 55.803 -0.425 0.000 1.286 12 Q CB -1.316 27.222 28.738 -0.333 0.000 1.494 12 Q HN 0.759 nan 8.270 nan 0.000 0.683 13 E N -0.179 119.697 120.200 -0.541 0.000 2.115 13 E HA 0.397 4.745 4.350 -0.003 0.000 0.282 13 E C -0.154 176.127 176.600 -0.531 0.000 0.987 13 E CA -0.179 56.034 56.400 -0.311 0.000 0.797 13 E CB 0.138 29.766 29.700 -0.121 0.000 1.086 13 E HN 0.091 nan 8.360 nan 0.000 0.397 14 F N 2.376 122.375 119.950 0.081 0.000 2.706 14 F HA 0.357 4.882 4.527 -0.003 0.000 0.313 14 F C 0.962 176.826 175.800 0.107 0.000 1.096 14 F CA -0.409 57.641 58.000 0.084 0.000 1.219 14 F CB 0.326 39.370 39.000 0.075 0.000 1.051 14 F HN 0.168 nan 8.300 nan 0.000 0.568 15 R N 0.181 120.829 120.500 0.247 0.000 2.652 15 R HA 0.524 4.862 4.340 -0.003 0.000 0.271 15 R C -0.737 175.679 176.300 0.193 0.000 1.129 15 R CA -0.414 55.820 56.100 0.223 0.000 1.200 15 R CB 1.168 31.585 30.300 0.196 0.000 1.146 15 R HN -0.042 nan 8.270 nan 0.000 0.581 16 V N -0.152 119.882 119.914 0.199 0.000 2.971 16 V HA 0.365 4.483 4.120 -0.003 0.000 0.309 16 V C 0.919 177.079 176.094 0.109 0.000 1.130 16 V CA -0.132 62.264 62.300 0.159 0.000 0.964 16 V CB 1.878 33.837 31.823 0.227 0.000 1.029 16 V HN 0.879 nan 8.190 nan 0.000 0.427 17 G N 5.020 113.851 108.800 0.052 0.000 2.469 17 G HA2 -0.034 3.925 3.960 -0.003 0.000 0.220 17 G HA3 -0.034 3.925 3.960 -0.003 0.000 0.220 17 G C 0.358 175.267 174.900 0.014 0.000 1.136 17 G CA 1.006 46.121 45.100 0.025 0.000 0.759 17 G HN 0.611 nan 8.290 nan 0.000 0.562 18 L N 0.300 121.540 121.223 0.028 0.000 2.431 18 L HA 0.408 4.746 4.340 -0.003 0.000 0.266 18 L C -0.072 176.825 176.870 0.045 0.000 0.978 18 L CA -0.913 53.938 54.840 0.019 0.000 0.822 18 L CB 2.541 44.616 42.059 0.026 0.000 1.310 18 L HN 0.150 nan 8.230 nan 0.000 0.409 19 S N 1.136 116.757 115.700 -0.132 0.000 2.669 19 S HA 0.483 4.951 4.470 -0.003 0.000 0.270 19 S C -2.164 172.166 174.600 -0.451 0.000 1.225 19 S CA -1.215 56.687 58.200 -0.498 0.000 0.991 19 S CB 1.481 64.300 63.200 -0.635 0.000 0.987 19 S HN 0.371 nan 8.310 nan 0.000 0.552 20 P HA -0.026 nan 4.420 nan 0.000 0.215 20 P C 1.468 178.571 177.300 -0.330 0.000 1.153 20 P CA 1.292 63.997 63.100 -0.658 0.000 0.853 20 P CB -0.132 31.110 31.700 -0.763 0.000 0.788 21 S N -0.980 114.534 115.700 -0.310 0.000 2.382 21 S HA -0.118 4.350 4.470 -0.003 0.000 0.228 21 S C 2.078 176.599 174.600 -0.131 0.000 1.027 21 S CA 1.489 59.582 58.200 -0.178 0.000 0.991 21 S CB -0.935 62.171 63.200 -0.155 0.000 0.823 21 S HN 0.168 nan 8.310 nan 0.000 0.469 22 S N 0.878 116.493 115.700 -0.142 0.000 2.368 22 S HA -0.033 4.435 4.470 -0.003 0.000 0.224 22 S C 2.037 176.611 174.600 -0.044 0.000 1.029 22 S CA 0.806 58.956 58.200 -0.082 0.000 0.988 22 S CB -0.332 62.820 63.200 -0.080 0.000 0.838 22 S HN 0.306 nan 8.310 nan 0.000 0.462 23 V N 2.239 122.129 119.914 -0.039 0.000 2.255 23 V HA -0.250 3.868 4.120 -0.003 0.000 0.247 23 V C 2.514 178.601 176.094 -0.012 0.000 1.051 23 V CA 2.250 64.552 62.300 0.004 0.000 1.018 23 V CB -0.644 31.212 31.823 0.056 0.000 0.641 23 V HN 0.444 nan 8.190 nan 0.000 0.445 24 R N -0.232 120.243 120.500 -0.042 0.000 2.103 24 R HA -0.203 4.135 4.340 -0.003 0.000 0.242 24 R C 2.211 178.498 176.300 -0.022 0.000 1.142 24 R CA 2.335 58.413 56.100 -0.037 0.000 0.960 24 R CB -0.615 29.652 30.300 -0.055 0.000 0.858 24 R HN 0.537 nan 8.270 nan 0.000 0.439 25 T N 1.274 115.815 114.554 -0.021 0.000 2.821 25 T HA -0.076 4.273 4.350 -0.003 0.000 0.267 25 T C 1.550 176.266 174.700 0.027 0.000 1.046 25 T CA 0.889 62.985 62.100 -0.006 0.000 1.139 25 T CB -0.087 68.773 68.868 -0.014 0.000 0.871 25 T HN 0.054 nan 8.240 nan 0.000 0.454 26 L N 0.995 122.244 121.223 0.044 0.000 2.027 26 L HA 0.021 4.359 4.340 -0.003 0.000 0.206 26 L C 2.623 179.565 176.870 0.121 0.000 1.074 26 L CA 1.240 56.149 54.840 0.115 0.000 0.745 26 L CB -1.263 40.845 42.059 0.083 0.000 0.898 26 L HN 0.130 nan 8.230 nan 0.000 0.433 27 V N -0.446 119.498 119.914 0.049 0.000 2.332 27 V HA -0.284 3.834 4.120 -0.003 0.000 0.248 27 V C 2.311 178.396 176.094 -0.015 0.000 1.055 27 V CA 1.530 63.837 62.300 0.012 0.000 1.038 27 V CB -0.483 31.333 31.823 -0.011 0.000 0.651 27 V HN 0.460 nan 8.190 nan 0.000 0.450 28 E N -0.204 119.989 120.200 -0.012 0.000 2.401 28 E HA -0.093 4.255 4.350 -0.003 0.000 0.199 28 E C 1.811 178.386 176.600 -0.041 0.000 1.023 28 E CA 0.864 57.249 56.400 -0.026 0.000 0.859 28 E CB -0.155 29.533 29.700 -0.019 0.000 0.780 28 E HN 0.614 nan 8.360 nan 0.000 0.523 29 A N -0.460 122.333 122.820 -0.044 0.000 2.387 29 A HA 0.392 4.710 4.320 -0.003 0.000 0.234 29 A C 1.527 178.910 177.584 -0.334 0.000 1.253 29 A CA 0.544 52.516 52.037 -0.108 0.000 0.894 29 A CB 0.119 19.130 19.000 0.020 0.000 0.963 29 A HN 0.276 nan 8.150 nan 0.000 0.508 30 G N -1.005 107.641 108.800 -0.258 0.000 2.176 30 G HA2 -0.227 3.731 3.960 -0.003 0.000 0.232 30 G HA3 -0.227 3.731 3.960 -0.003 0.000 0.232 30 G C 0.022 174.753 174.900 -0.281 0.000 0.986 30 G CA 0.342 45.279 45.100 -0.273 0.000 0.643 30 G HN 0.755 nan 8.290 nan 0.000 0.522 31 H N 0.033 119.106 119.070 0.006 0.000 2.505 31 H HA 0.670 5.224 4.556 -0.003 0.000 0.355 31 H C 0.361 175.693 175.328 0.006 0.000 1.179 31 H CA 0.532 56.591 56.048 0.019 0.000 1.343 31 H CB 1.596 31.373 29.762 0.024 0.000 1.501 31 H HN 0.140 nan 8.280 nan 0.000 0.569 32 T N 1.600 116.254 114.554 0.167 0.000 2.829 32 T HA 0.500 4.848 4.350 -0.003 0.000 0.280 32 T C -1.111 173.606 174.700 0.028 0.000 0.999 32 T CA -0.744 61.376 62.100 0.034 0.000 0.983 32 T CB 0.414 69.305 68.868 0.038 0.000 0.968 32 T HN 0.309 nan 8.240 nan 0.000 0.446 33 V N 5.593 125.385 119.914 -0.204 0.000 2.540 33 V HA 0.628 4.746 4.120 -0.003 0.000 0.302 33 V C -1.129 174.724 176.094 -0.402 0.000 1.035 33 V CA -0.846 61.383 62.300 -0.118 0.000 0.873 33 V CB 1.440 33.236 31.823 -0.044 0.000 0.992 33 V HN 0.830 nan 8.190 nan 0.000 0.428 34 F N 5.039 124.974 119.950 -0.026 0.000 2.467 34 F HA 0.722 5.247 4.527 -0.003 0.000 0.336 34 F C -0.212 175.536 175.800 -0.086 0.000 1.123 34 F CA -0.832 57.144 58.000 -0.039 0.000 0.964 34 F CB 1.722 40.707 39.000 -0.025 0.000 1.136 34 F HN 0.365 nan 8.300 nan 0.000 0.447 35 I N 2.407 122.976 120.570 -0.001 0.000 2.498 35 I HA 0.353 4.521 4.170 -0.003 0.000 0.290 35 I C -0.327 175.736 176.117 -0.090 0.000 1.032 35 I CA -0.422 60.803 61.300 -0.125 0.000 1.073 35 I CB 1.523 39.300 38.000 -0.372 0.000 1.251 35 I HN 0.687 nan 8.210 nan 0.000 0.426 36 E N 5.169 125.323 120.200 -0.076 0.000 2.376 36 E HA 0.013 4.361 4.350 -0.003 0.000 0.266 36 E C -0.247 176.327 176.600 -0.043 0.000 1.009 36 E CA -0.185 56.198 56.400 -0.030 0.000 0.902 36 E CB 0.712 30.407 29.700 -0.009 0.000 0.972 36 E HN 0.718 nan 8.360 nan 0.000 0.439 37 T N 4.106 118.658 114.554 -0.003 0.000 2.939 37 T HA -0.131 4.217 4.350 -0.003 0.000 0.312 37 T C 0.430 175.147 174.700 0.028 0.000 1.064 37 T CA 0.555 62.664 62.100 0.015 0.000 1.136 37 T CB 0.310 69.201 68.868 0.037 0.000 1.035 37 T HN 0.721 nan 8.240 nan 0.000 0.538 38 Q N 0.723 120.555 119.800 0.053 0.000 2.311 38 Q HA -0.278 4.060 4.340 -0.003 0.000 0.178 38 Q C 1.586 177.635 176.000 0.082 0.000 0.596 38 Q CA 1.783 57.634 55.803 0.081 0.000 1.377 38 Q CB -2.286 26.495 28.738 0.072 0.000 1.372 38 Q HN 0.980 nan 8.270 nan 0.000 0.896 39 A N -0.017 122.817 122.820 0.024 0.000 1.948 39 A HA -0.005 4.313 4.320 -0.003 0.000 0.220 39 A C 2.050 179.700 177.584 0.110 0.000 1.177 39 A CA 2.341 54.386 52.037 0.014 0.000 0.636 39 A CB -0.716 18.223 19.000 -0.101 0.000 0.815 39 A HN 0.586 nan 8.150 nan 0.000 0.449 40 G N -1.420 107.501 108.800 0.201 0.000 2.939 40 G HA2 0.175 4.133 3.960 -0.003 0.000 0.210 40 G HA3 0.175 4.133 3.960 -0.003 0.000 0.210 40 G C 1.293 176.411 174.900 0.364 0.000 1.160 40 G CA 0.455 45.834 45.100 0.466 0.000 0.770 40 G HN 0.404 nan 8.290 nan 0.000 0.543 41 I N 1.519 122.242 120.570 0.255 0.000 2.248 41 I HA -0.136 4.032 4.170 -0.003 0.000 0.248 41 I C 2.829 179.028 176.117 0.136 0.000 1.107 41 I CA 1.449 62.856 61.300 0.179 0.000 1.373 41 I CB 0.104 38.191 38.000 0.145 0.000 1.055 41 I HN 0.224 nan 8.210 nan 0.000 0.418 42 G N -0.505 108.418 108.800 0.204 0.000 2.471 42 G HA2 -0.106 3.853 3.960 -0.003 0.000 0.219 42 G HA3 -0.106 3.853 3.960 -0.003 0.000 0.219 42 G C 1.503 176.476 174.900 0.121 0.000 1.125 42 G CA 0.615 45.854 45.100 0.231 0.000 0.775 42 G HN 0.502 nan 8.290 nan 0.000 0.548 43 A N -0.615 122.270 122.820 0.109 0.000 2.308 43 A HA 0.515 4.833 4.320 -0.003 0.000 0.217 43 A C 1.806 179.207 177.584 -0.304 0.000 1.216 43 A CA 1.110 53.138 52.037 -0.014 0.000 0.864 43 A CB -0.179 18.879 19.000 0.096 0.000 0.902 43 A HN 1.468 nan 8.150 nan 0.000 0.499 44 G N -1.470 107.197 108.800 -0.222 0.000 2.132 44 G HA2 -0.207 3.752 3.960 -0.003 0.000 0.234 44 G HA3 -0.207 3.752 3.960 -0.003 0.000 0.234 44 G C -0.306 174.422 174.900 -0.287 0.000 0.989 44 G CA 0.088 45.038 45.100 -0.250 0.000 0.676 44 G HN 0.358 nan 8.290 nan 0.000 0.522 45 F N 1.214 121.288 119.950 0.206 0.000 2.402 45 F HA 0.779 5.304 4.527 -0.004 0.000 0.355 45 F C 0.637 176.563 175.800 0.209 0.000 1.123 45 F CA -1.048 57.042 58.000 0.149 0.000 1.021 45 F CB 1.440 40.507 39.000 0.111 0.000 1.160 45 F HN 0.331 nan 8.300 nan 0.000 0.451 46 A N 2.159 125.156 122.820 0.295 0.000 2.287 46 A HA 0.353 4.671 4.320 -0.003 0.000 0.273 46 A C 1.079 178.860 177.584 0.329 0.000 1.091 46 A CA -0.512 51.675 52.037 0.250 0.000 0.817 46 A CB 0.382 19.471 19.000 0.149 0.000 1.069 46 A HN 0.723 nan 8.150 nan 0.000 0.492 47 D N -0.030 120.539 120.400 0.283 0.000 2.133 47 D HA -0.188 4.450 4.640 -0.003 0.000 0.195 47 D C 1.750 178.189 176.300 0.230 0.000 0.997 47 D CA 1.911 56.084 54.000 0.288 0.000 0.840 47 D CB -0.175 40.719 40.800 0.156 0.000 0.947 47 D HN 0.737 nan 8.370 nan 0.000 0.452 48 Q N 0.113 120.000 119.800 0.145 0.000 2.135 48 Q HA -0.161 4.177 4.340 -0.003 0.000 0.204 48 Q C 1.311 177.350 176.000 0.065 0.000 0.981 48 Q CA 1.238 57.095 55.803 0.091 0.000 0.856 48 Q CB 0.165 28.942 28.738 0.065 0.000 0.902 48 Q HN 0.189 nan 8.270 nan 0.000 0.425 49 D N -0.787 119.645 120.400 0.053 0.000 2.149 49 D HA -0.173 4.465 4.640 -0.003 0.000 0.198 49 D C 1.395 177.587 176.300 -0.179 0.000 0.990 49 D CA 1.154 55.116 54.000 -0.063 0.000 0.839 49 D CB -0.169 40.586 40.800 -0.074 0.000 0.948 49 D HN 0.370 nan 8.370 nan 0.000 0.460 50 Y N 0.368 120.682 120.300 0.024 0.000 2.337 50 Y HA -0.079 4.469 4.550 -0.003 0.000 0.293 50 Y C 2.464 178.350 175.900 -0.023 0.000 1.123 50 Y CA 0.270 58.361 58.100 -0.014 0.000 1.201 50 Y CB -0.370 38.088 38.460 -0.004 0.000 1.011 50 Y HN -0.173 nan 8.280 nan 0.000 0.545 51 V N 0.056 120.046 119.914 0.126 0.000 2.358 51 V HA -0.308 3.810 4.120 -0.003 0.000 0.246 51 V C 1.991 178.097 176.094 0.021 0.000 1.047 51 V CA 1.951 64.289 62.300 0.062 0.000 1.035 51 V CB -0.658 31.199 31.823 0.056 0.000 0.658 51 V HN 0.435 nan 8.190 nan 0.000 0.452 52 Q N -0.058 119.746 119.800 0.007 0.000 2.291 52 Q HA -0.121 4.217 4.340 -0.003 0.000 0.206 52 Q C 2.219 178.204 176.000 -0.025 0.000 0.976 52 Q CA 1.527 57.324 55.803 -0.011 0.000 0.875 52 Q CB -0.317 28.411 28.738 -0.015 0.000 0.927 52 Q HN 0.683 nan 8.270 nan 0.000 0.450 53 A N -0.048 122.751 122.820 -0.035 0.000 2.123 53 A HA 0.275 4.593 4.320 -0.003 0.000 0.214 53 A C 1.573 179.142 177.584 -0.025 0.000 1.152 53 A CA 1.021 53.031 52.037 -0.045 0.000 0.728 53 A CB 0.130 19.078 19.000 -0.086 0.000 0.814 53 A HN 0.451 nan 8.150 nan 0.000 0.464 54 G N -2.567 106.223 108.800 -0.016 0.000 2.183 54 G HA2 0.241 4.199 3.960 -0.003 0.000 0.168 54 G HA3 0.241 4.199 3.960 -0.003 0.000 0.168 54 G C 0.284 175.150 174.900 -0.057 0.000 1.008 54 G CA 0.064 45.145 45.100 -0.032 0.000 0.677 54 G HN 1.351 nan 8.290 nan 0.000 0.498 55 A N -0.130 122.675 122.820 -0.025 0.000 2.322 55 A HA 0.764 5.082 4.320 -0.003 0.000 0.269 55 A C 0.304 177.819 177.584 -0.114 0.000 1.094 55 A CA 0.021 52.014 52.037 -0.072 0.000 0.807 55 A CB 0.490 19.514 19.000 0.041 0.000 1.047 55 A HN 0.425 nan 8.150 nan 0.000 0.487 56 Q N 0.578 120.227 119.800 -0.252 0.000 2.303 56 Q HA 0.459 4.797 4.340 -0.003 0.000 0.257 56 Q C -0.942 175.010 176.000 -0.081 0.000 0.941 56 Q CA -0.403 55.288 55.803 -0.186 0.000 0.931 56 Q CB 1.887 30.435 28.738 -0.317 0.000 1.215 56 Q HN 0.470 nan 8.270 nan 0.000 0.437 57 V N 3.966 123.876 119.914 -0.008 0.000 2.432 57 V HA 0.169 4.287 4.120 -0.003 0.000 0.271 57 V C -0.037 176.088 176.094 0.051 0.000 1.046 57 V CA -0.418 61.890 62.300 0.013 0.000 0.945 57 V CB 1.158 33.000 31.823 0.031 0.000 0.992 57 V HN 0.524 nan 8.190 nan 0.000 0.471 58 V N 8.673 128.627 119.914 0.066 0.000 2.539 58 V HA 0.316 4.434 4.120 -0.003 0.000 0.292 58 V C -1.208 174.921 176.094 0.058 0.000 1.045 58 V CA -1.251 61.102 62.300 0.089 0.000 0.945 58 V CB 2.173 34.071 31.823 0.125 0.000 0.993 58 V HN 0.791 nan 8.190 nan 0.000 0.464 59 P HA 0.005 nan 4.420 nan 0.000 0.231 59 P C 0.187 177.517 177.300 0.049 0.000 1.168 59 P CA 0.683 63.812 63.100 0.049 0.000 0.779 59 P CB 0.318 32.046 31.700 0.046 0.000 0.844 60 S N -2.561 113.173 115.700 0.057 0.000 2.564 60 S HA 0.693 5.161 4.470 -0.003 0.000 0.274 60 S C 1.089 175.740 174.600 0.085 0.000 1.124 60 S CA -0.199 58.039 58.200 0.064 0.000 0.869 60 S CB 1.554 64.790 63.200 0.059 0.000 1.105 60 S HN -0.010 nan 8.310 nan 0.000 0.472 61 A N 1.936 124.824 122.820 0.114 0.000 1.940 61 A HA -0.101 4.218 4.320 -0.003 0.000 0.219 61 A C 2.030 179.776 177.584 0.272 0.000 1.176 61 A CA 2.112 54.267 52.037 0.197 0.000 0.631 61 A CB -1.023 18.126 19.000 0.249 0.000 0.814 61 A HN 0.980 nan 8.150 nan 0.000 0.446 62 K N -0.085 120.423 120.400 0.180 0.000 2.063 62 K HA -0.211 4.107 4.320 -0.003 0.000 0.208 62 K C 1.318 177.999 176.600 0.135 0.000 1.048 62 K CA 1.926 58.304 56.287 0.151 0.000 0.928 62 K CB -0.237 32.307 32.500 0.073 0.000 0.713 62 K HN 0.473 nan 8.250 nan 0.000 0.442 63 D N -0.086 120.367 120.400 0.088 0.000 2.219 63 D HA -0.124 4.514 4.640 -0.003 0.000 0.205 63 D C 1.670 177.983 176.300 0.022 0.000 0.970 63 D CA 1.274 55.298 54.000 0.040 0.000 0.851 63 D CB 0.074 40.903 40.800 0.048 0.000 0.943 63 D HN 0.433 nan 8.370 nan 0.000 0.488 64 A N -0.170 122.685 122.820 0.058 0.000 1.935 64 A HA -0.050 4.268 4.320 -0.003 0.000 0.214 64 A C 1.888 179.439 177.584 -0.055 0.000 1.178 64 A CA 0.257 52.288 52.037 -0.011 0.000 0.640 64 A CB -0.841 18.123 19.000 -0.060 0.000 0.825 64 A HN 0.197 nan 8.150 nan 0.000 0.447 65 W N 1.158 122.447 121.300 -0.019 0.000 2.678 65 W HA -0.027 4.632 4.660 -0.003 0.000 0.256 65 W C 2.046 178.540 176.519 -0.042 0.000 1.280 65 W CA 1.105 58.437 57.345 -0.021 0.000 1.345 65 W CB 0.201 29.654 29.460 -0.010 0.000 1.118 65 W HN 0.429 nan 8.180 nan 0.000 0.629 66 S N 0.525 116.323 115.700 0.164 0.000 2.851 66 S HA 0.190 4.658 4.470 -0.003 0.000 0.227 66 S C 0.482 175.063 174.600 -0.032 0.000 0.958 66 S CA -0.169 58.064 58.200 0.055 0.000 0.990 66 S CB -0.424 62.777 63.200 0.001 0.000 0.790 66 S HN -0.065 nan 8.310 nan 0.000 0.509 67 R N 1.291 121.773 120.500 -0.029 0.000 2.758 67 R HA 0.380 4.718 4.340 -0.003 0.000 0.265 67 R C 0.997 177.284 176.300 -0.022 0.000 1.016 67 R CA -0.630 55.424 56.100 -0.075 0.000 1.040 67 R CB 0.440 30.680 30.300 -0.101 0.000 1.152 67 R HN 0.418 nan 8.270 nan 0.000 0.503 68 E N 0.511 120.697 120.200 -0.022 0.000 2.204 68 E HA -0.101 4.247 4.350 -0.003 0.000 0.195 68 E C 0.454 177.048 176.600 -0.010 0.000 0.990 68 E CA 1.006 57.401 56.400 -0.008 0.000 0.821 68 E CB 0.261 29.959 29.700 -0.004 0.000 0.750 68 E HN 0.293 nan 8.360 nan 0.000 0.477 69 M N 1.333 120.925 119.600 -0.014 0.000 2.263 69 M HA 0.296 4.774 4.480 -0.003 0.000 0.295 69 M C -1.885 174.388 176.300 -0.046 0.000 1.028 69 M CA -0.595 54.692 55.300 -0.022 0.000 0.921 69 M CB 2.367 34.953 32.600 -0.023 0.000 1.601 69 M HN -0.242 nan 8.290 nan 0.000 0.440 70 V N 5.461 125.330 119.914 -0.074 0.000 2.409 70 V HA 0.510 4.628 4.120 -0.003 0.000 0.291 70 V C -0.764 175.249 176.094 -0.134 0.000 1.020 70 V CA -0.684 61.501 62.300 -0.192 0.000 0.848 70 V CB 1.790 33.376 31.823 -0.396 0.000 0.990 70 V HN 0.656 nan 8.190 nan 0.000 0.430 71 V N 6.208 126.049 119.914 -0.121 0.000 2.357 71 V HA 0.541 4.659 4.120 -0.003 0.000 0.284 71 V C 0.078 176.104 176.094 -0.113 0.000 1.018 71 V CA -0.596 61.674 62.300 -0.051 0.000 0.841 71 V CB 1.345 33.184 31.823 0.027 0.000 0.991 71 V HN 0.854 nan 8.190 nan 0.000 0.437 72 K N 2.773 123.094 120.400 -0.132 0.000 2.372 72 K HA 0.679 4.997 4.320 -0.003 0.000 0.251 72 K C 0.089 176.672 176.600 -0.029 0.000 1.055 72 K CA -0.788 55.436 56.287 -0.104 0.000 0.879 72 K CB 2.487 34.905 32.500 -0.137 0.000 1.384 72 K HN 0.200 nan 8.250 nan 0.000 0.465 73 V N 0.157 120.101 119.914 0.050 0.000 2.627 73 V HA 0.072 4.190 4.120 -0.003 0.000 0.239 73 V C 0.364 176.593 176.094 0.224 0.000 1.077 73 V CA 0.914 63.321 62.300 0.179 0.000 1.103 73 V CB -0.015 31.926 31.823 0.197 0.000 0.802 73 V HN 0.486 nan 8.190 nan 0.000 0.482 74 K N 1.378 121.874 120.400 0.159 0.000 2.177 74 K HA 0.353 4.671 4.320 -0.003 0.000 0.238 74 K C 0.152 176.827 176.600 0.126 0.000 1.015 74 K CA -0.639 55.751 56.287 0.172 0.000 0.922 74 K CB 0.387 32.971 32.500 0.139 0.000 1.127 74 K HN 0.407 nan 8.250 nan 0.000 0.469 75 E N 1.264 121.551 120.200 0.145 0.000 2.390 75 E HA 0.226 4.575 4.350 -0.003 0.000 0.261 75 E C -2.336 174.374 176.600 0.183 0.000 1.076 75 E CA -1.751 54.733 56.400 0.139 0.000 0.905 75 E CB -0.295 29.492 29.700 0.145 0.000 0.984 75 E HN 0.121 nan 8.360 nan 0.000 0.427 76 P HA 0.153 nan 4.420 nan 0.000 0.271 76 P C -0.592 176.887 177.300 0.299 0.000 1.216 76 P CA 0.069 63.353 63.100 0.306 0.000 0.776 76 P CB 0.480 32.349 31.700 0.281 0.000 0.881 77 L N 4.928 126.296 121.223 0.241 0.000 2.334 77 L HA 0.391 4.729 4.340 -0.003 0.000 0.270 77 L C -1.369 175.420 176.870 -0.134 0.000 1.018 77 L CA -2.416 52.489 54.840 0.108 0.000 0.811 77 L CB 1.242 43.319 42.059 0.029 0.000 1.271 77 L HN 0.195 nan 8.230 nan 0.000 0.443 78 P HA -0.284 nan 4.420 nan 0.000 0.217 78 P C 1.384 178.308 177.300 -0.626 0.000 1.162 78 P CA 1.997 64.254 63.100 -1.404 0.000 0.901 78 P CB 0.123 31.376 31.700 -0.745 0.000 0.793 79 A N -0.103 122.534 122.820 -0.305 0.000 2.042 79 A HA -0.272 4.046 4.320 -0.003 0.000 0.222 79 A C 1.805 179.313 177.584 -0.125 0.000 1.167 79 A CA 2.001 53.941 52.037 -0.162 0.000 0.649 79 A CB -1.160 17.785 19.000 -0.090 0.000 0.809 79 A HN 0.396 nan 8.150 nan 0.000 0.457 80 E N -1.977 118.163 120.200 -0.100 0.000 2.474 80 E HA 0.036 4.384 4.350 -0.003 0.000 0.195 80 E C 1.002 177.470 176.600 -0.221 0.000 1.039 80 E CA -0.189 56.091 56.400 -0.200 0.000 0.881 80 E CB -0.125 29.472 29.700 -0.172 0.000 0.970 80 E HN 0.654 nan 8.360 nan 0.000 0.486 81 Y N 2.141 122.275 120.300 -0.277 0.000 2.193 81 Y HA -0.187 4.361 4.550 -0.003 0.000 0.285 81 Y C 1.628 177.368 175.900 -0.266 0.000 1.166 81 Y CA 0.943 58.893 58.100 -0.249 0.000 1.181 81 Y CB -0.336 38.036 38.460 -0.147 0.000 0.976 81 Y HN 0.048 nan 8.280 nan 0.000 0.520 82 D N -0.805 119.554 120.400 -0.068 0.000 2.349 82 D HA 0.019 4.657 4.640 -0.003 0.000 0.224 82 D C 1.770 177.961 176.300 -0.182 0.000 1.029 82 D CA 0.477 54.414 54.000 -0.105 0.000 0.879 82 D CB -0.131 40.629 40.800 -0.067 0.000 0.906 82 D HN 0.314 nan 8.370 nan 0.000 0.528 83 L N -0.494 120.518 121.223 -0.353 0.000 2.477 83 L HA 0.186 4.524 4.340 -0.003 0.000 0.220 83 L C 0.909 177.537 176.870 -0.404 0.000 1.106 83 L CA 0.135 54.715 54.840 -0.434 0.000 0.851 83 L CB -0.044 41.530 42.059 -0.809 0.000 0.994 83 L HN -0.096 nan 8.230 nan 0.000 0.462 84 M N 0.263 119.580 119.600 -0.472 0.000 2.240 84 M HA 0.185 4.663 4.480 -0.003 0.000 0.333 84 M C -0.348 175.904 176.300 -0.081 0.000 1.110 84 M CA 0.581 55.732 55.300 -0.248 0.000 1.173 84 M CB 0.475 32.907 32.600 -0.280 0.000 1.458 84 M HN 0.032 nan 8.290 nan 0.000 0.458 85 Q N 0.844 120.648 119.800 0.007 0.000 2.433 85 Q HA 0.364 4.702 4.340 -0.003 0.000 0.279 85 Q C -0.155 175.840 176.000 -0.010 0.000 1.105 85 Q CA -0.887 54.917 55.803 0.002 0.000 0.815 85 Q CB 1.883 30.638 28.738 0.027 0.000 1.403 85 Q HN 0.483 nan 8.270 nan 0.000 0.435 86 K N 0.753 121.143 120.400 -0.017 0.000 2.044 86 K HA -0.145 4.173 4.320 -0.003 0.000 0.210 86 K C 0.780 177.354 176.600 -0.043 0.000 1.049 86 K CA 1.784 58.051 56.287 -0.032 0.000 0.927 86 K CB 0.134 32.630 32.500 -0.008 0.000 0.713 86 K HN 0.502 nan 8.250 nan 0.000 0.443 87 D N 0.449 120.836 120.400 -0.022 0.000 2.342 87 D HA 0.001 4.639 4.640 -0.003 0.000 0.221 87 D C -0.177 176.111 176.300 -0.019 0.000 1.101 87 D CA 0.130 54.115 54.000 -0.025 0.000 0.837 87 D CB 0.228 41.018 40.800 -0.016 0.000 0.938 87 D HN 0.314 nan 8.370 nan 0.000 0.508 88 Q N 0.454 120.250 119.800 -0.005 0.000 2.432 88 Q HA 0.191 4.530 4.340 -0.003 0.000 0.264 88 Q C 0.078 176.073 176.000 -0.009 0.000 1.035 88 Q CA 0.351 56.160 55.803 0.011 0.000 0.908 88 Q CB 1.524 30.299 28.738 0.062 0.000 1.280 88 Q HN 0.156 nan 8.270 nan 0.000 0.455 89 L N 3.037 124.252 121.223 -0.013 0.000 2.287 89 L HA 0.385 4.723 4.340 -0.003 0.000 0.287 89 L C -0.998 175.866 176.870 -0.011 0.000 1.022 89 L CA -0.775 54.044 54.840 -0.036 0.000 0.814 89 L CB 1.159 43.181 42.059 -0.062 0.000 1.217 89 L HN 0.431 nan 8.230 nan 0.000 0.420 90 L N 4.754 125.976 121.223 -0.003 0.000 2.333 90 L HA 0.584 4.922 4.340 -0.003 0.000 0.280 90 L C -1.480 175.422 176.870 0.053 0.000 1.004 90 L CA -0.036 54.819 54.840 0.025 0.000 0.820 90 L CB 1.545 43.642 42.059 0.064 0.000 1.247 90 L HN 0.314 nan 8.230 nan 0.000 0.416 91 F N 4.822 124.659 119.950 -0.187 0.000 2.577 91 F HA 0.750 5.276 4.527 -0.003 0.000 0.344 91 F C -0.284 175.162 175.800 -0.589 0.000 1.145 91 F CA -0.179 57.646 58.000 -0.292 0.000 0.996 91 F CB 1.324 40.248 39.000 -0.125 0.000 1.248 91 F HN 0.696 nan 8.300 nan 0.000 0.447 92 T N 3.735 117.755 114.554 -0.890 0.000 2.654 92 T HA 0.367 4.715 4.350 -0.003 0.000 0.303 92 T C -1.998 172.036 174.700 -1.111 0.000 1.656 92 T CA -0.357 60.968 62.100 -1.291 0.000 0.971 92 T CB 0.364 68.966 68.868 -0.442 0.000 1.811 92 T HN 0.107 nan 8.240 nan 0.000 0.483 93 Y N 2.124 122.107 120.300 -0.528 0.000 2.359 93 Y HA 0.464 5.012 4.550 -0.004 0.000 0.334 93 Y C 1.095 176.858 175.900 -0.229 0.000 1.058 93 Y CA -0.356 57.578 58.100 -0.277 0.000 1.244 93 Y CB 0.672 39.106 38.460 -0.043 0.000 1.187 93 Y HN 0.443 nan 8.280 nan 0.000 0.510 94 L N 1.507 122.659 121.223 -0.119 0.000 2.435 94 L HA 0.069 4.408 4.340 -0.003 0.000 0.195 94 L C 0.231 177.120 176.870 0.033 0.000 1.072 94 L CA 0.022 54.837 54.840 -0.042 0.000 0.833 94 L CB -0.087 41.943 42.059 -0.048 0.000 1.081 94 L HN 0.644 nan 8.230 nan 0.000 0.485 95 H N 0.686 119.795 119.070 0.064 0.000 2.748 95 H HA -0.131 4.423 4.556 -0.003 0.000 0.322 95 H C 1.221 176.589 175.328 0.066 0.000 1.208 95 H CA 0.418 56.495 56.048 0.048 0.000 1.151 95 H CB -1.652 28.135 29.762 0.041 0.000 1.505 95 H HN 0.273 nan 8.280 nan 0.000 0.429 96 L N -0.591 120.712 121.223 0.133 0.000 2.131 96 L HA -0.145 4.193 4.340 -0.003 0.000 0.210 96 L C 2.566 179.586 176.870 0.251 0.000 1.092 96 L CA 1.501 56.452 54.840 0.185 0.000 0.759 96 L CB -0.287 41.868 42.059 0.160 0.000 0.903 96 L HN 0.500 nan 8.230 nan 0.000 0.435 97 A N -0.367 122.514 122.820 0.102 0.000 2.259 97 A HA 0.107 4.425 4.320 -0.003 0.000 0.212 97 A C 1.914 179.527 177.584 0.048 0.000 1.178 97 A CA 1.377 53.375 52.037 -0.065 0.000 0.734 97 A CB -0.436 18.500 19.000 -0.106 0.000 0.774 97 A HN 0.428 nan 8.150 nan 0.000 0.481 98 A N -1.959 120.964 122.820 0.172 0.000 2.551 98 A HA 0.666 4.984 4.320 -0.003 0.000 0.252 98 A C 0.832 178.537 177.584 0.202 0.000 1.199 98 A CA 0.694 52.826 52.037 0.158 0.000 0.972 98 A CB 0.237 19.291 19.000 0.091 0.000 1.153 98 A HN 1.144 nan 8.150 nan 0.000 0.559 99 A N 0.093 123.073 122.820 0.267 0.000 2.763 99 A HA 0.530 4.848 4.320 -0.003 0.000 0.325 99 A C 0.941 178.592 177.584 0.112 0.000 1.209 99 A CA -0.463 51.681 52.037 0.179 0.000 0.764 99 A CB 0.202 19.291 19.000 0.148 0.000 1.120 99 A HN 0.205 nan 8.150 nan 0.000 0.463 100 R N 0.562 121.049 120.500 -0.022 0.000 2.080 100 R HA -0.179 4.159 4.340 -0.003 0.000 0.236 100 R C 1.566 177.720 176.300 -0.243 0.000 1.137 100 R CA 2.230 58.074 56.100 -0.427 0.000 0.943 100 R CB -0.021 30.054 30.300 -0.374 0.000 0.846 100 R HN 0.793 nan 8.270 nan 0.000 0.431 101 E N 0.565 120.712 120.200 -0.090 0.000 2.058 101 E HA -0.189 4.160 4.350 -0.003 0.000 0.194 101 E C 1.843 178.443 176.600 0.001 0.000 0.997 101 E CA 0.992 57.380 56.400 -0.020 0.000 0.801 101 E CB -0.352 29.380 29.700 0.053 0.000 0.746 101 E HN 0.121 nan 8.360 nan 0.000 0.450 102 L N 0.359 121.609 121.223 0.045 0.000 2.012 102 L HA -0.180 4.158 4.340 -0.003 0.000 0.210 102 L C 2.070 178.896 176.870 -0.073 0.000 1.073 102 L CA 2.283 57.123 54.840 -0.000 0.000 0.748 102 L CB -1.208 40.900 42.059 0.081 0.000 0.891 102 L HN 0.159 nan 8.230 nan 0.000 0.431 103 T N -0.524 114.009 114.554 -0.036 0.000 2.684 103 T HA -0.237 4.111 4.350 -0.003 0.000 0.267 103 T C 1.754 176.406 174.700 -0.080 0.000 1.036 103 T CA 1.890 63.971 62.100 -0.032 0.000 1.148 103 T CB -0.258 68.607 68.868 -0.005 0.000 0.863 103 T HN 0.440 nan 8.240 nan 0.000 0.436 104 E N 0.403 120.530 120.200 -0.122 0.000 2.058 104 E HA -0.165 4.183 4.350 -0.003 0.000 0.194 104 E C 2.614 179.156 176.600 -0.097 0.000 0.997 104 E CA 0.835 57.175 56.400 -0.101 0.000 0.801 104 E CB -0.081 29.556 29.700 -0.104 0.000 0.746 104 E HN 0.215 nan 8.360 nan 0.000 0.450 105 Q N 0.414 120.126 119.800 -0.147 0.000 2.077 105 Q HA -0.190 4.149 4.340 -0.003 0.000 0.206 105 Q C 2.261 178.125 176.000 -0.228 0.000 0.989 105 Q CA 1.446 57.097 55.803 -0.254 0.000 0.853 105 Q CB -0.331 28.058 28.738 -0.582 0.000 0.907 105 Q HN 0.365 nan 8.270 nan 0.000 0.418 106 L N -0.720 120.387 121.223 -0.194 0.000 2.141 106 L HA -0.136 4.202 4.340 -0.003 0.000 0.209 106 L C 2.550 179.361 176.870 -0.099 0.000 1.094 106 L CA 0.639 55.393 54.840 -0.143 0.000 0.763 106 L CB -0.365 41.636 42.059 -0.098 0.000 0.908 106 L HN 0.234 nan 8.230 nan 0.000 0.437 107 M N -0.891 118.675 119.600 -0.058 0.000 2.099 107 M HA -0.158 4.320 4.480 -0.003 0.000 0.262 107 M C 2.514 178.874 176.300 0.100 0.000 1.067 107 M CA 1.614 56.916 55.300 0.004 0.000 1.124 107 M CB -0.242 32.370 32.600 0.022 0.000 1.353 107 M HN 0.120 nan 8.290 nan 0.000 0.410 108 R N -0.196 120.340 120.500 0.061 0.000 2.103 108 R HA -0.171 4.168 4.340 -0.003 0.000 0.234 108 R C 2.065 178.463 176.300 0.164 0.000 1.132 108 R CA 1.959 58.127 56.100 0.114 0.000 0.925 108 R CB -1.161 29.144 30.300 0.009 0.000 0.842 108 R HN 0.257 nan 8.270 nan 0.000 0.430 109 V N -0.617 119.297 119.914 -0.001 0.000 2.317 109 V HA -0.218 3.900 4.120 -0.003 0.000 0.251 109 V C 1.872 177.873 176.094 -0.156 0.000 1.065 109 V CA 2.191 64.463 62.300 -0.047 0.000 1.049 109 V CB -0.959 30.802 31.823 -0.102 0.000 0.651 109 V HN 0.850 nan 8.190 nan 0.000 0.450 110 G N -0.363 108.201 108.800 -0.394 0.000 2.213 110 G HA2 -0.207 3.752 3.960 -0.003 0.000 0.226 110 G HA3 -0.207 3.752 3.960 -0.003 0.000 0.226 110 G C 0.100 174.787 174.900 -0.356 0.000 0.992 110 G CA 0.013 44.641 45.100 -0.787 0.000 0.632 110 G HN 0.719 nan 8.290 nan 0.000 0.511 111 L N 0.599 121.704 121.223 -0.196 0.000 2.456 111 L HA 0.659 4.997 4.340 -0.003 0.000 0.266 111 L C 0.839 177.649 176.870 -0.101 0.000 1.258 111 L CA 0.382 55.157 54.840 -0.109 0.000 0.823 111 L CB -0.517 41.513 42.059 -0.048 0.000 1.100 111 L HN 0.611 nan 8.230 nan 0.000 0.531 112 T N -1.413 113.099 114.554 -0.069 0.000 2.771 112 T HA 0.802 5.150 4.350 -0.003 0.000 0.281 112 T C -0.342 174.328 174.700 -0.050 0.000 0.982 112 T CA -0.134 61.929 62.100 -0.063 0.000 0.978 112 T CB 0.932 69.762 68.868 -0.064 0.000 0.930 112 T HN 1.085 nan 8.240 nan 0.000 0.447 113 A N 5.498 128.293 122.820 -0.042 0.000 2.304 113 A HA 0.725 5.043 4.320 -0.003 0.000 0.314 113 A C -0.112 177.452 177.584 -0.033 0.000 1.187 113 A CA -0.984 51.036 52.037 -0.029 0.000 0.810 113 A CB 0.548 19.537 19.000 -0.019 0.000 1.183 113 A HN 0.916 nan 8.150 nan 0.000 0.487 114 I N 2.368 122.919 120.570 -0.032 0.000 2.378 114 I HA 0.513 4.681 4.170 -0.003 0.000 0.291 114 I C 0.512 176.680 176.117 0.086 0.000 0.992 114 I CA -0.376 60.913 61.300 -0.018 0.000 1.154 114 I CB 1.583 39.456 38.000 -0.211 0.000 1.315 114 I HN 0.679 nan 8.210 nan 0.000 0.448 115 A N 5.195 128.025 122.820 0.016 0.000 2.290 115 A HA 0.434 4.752 4.320 -0.003 0.000 0.310 115 A C 0.260 177.849 177.584 0.009 0.000 1.202 115 A CA -0.365 51.631 52.037 -0.068 0.000 0.837 115 A CB 0.438 19.369 19.000 -0.116 0.000 1.139 115 A HN 0.640 nan 8.150 nan 0.000 0.509 116 Y N 1.394 121.589 120.300 -0.175 0.000 2.165 116 Y HA -0.204 4.345 4.550 -0.002 0.000 0.286 116 Y C 2.535 178.383 175.900 -0.086 0.000 1.155 116 Y CA 1.982 59.898 58.100 -0.307 0.000 1.164 116 Y CB -0.236 37.713 38.460 -0.853 0.000 0.978 116 Y HN 0.830 nan 8.280 nan 0.000 0.513 117 E N 0.202 120.517 120.200 0.192 0.000 2.472 117 E HA -0.114 4.234 4.350 -0.003 0.000 0.200 117 E C 1.166 177.793 176.600 0.044 0.000 1.046 117 E CA 1.549 58.043 56.400 0.157 0.000 0.871 117 E CB -0.734 29.031 29.700 0.109 0.000 0.806 117 E HN 0.577 nan 8.360 nan 0.000 0.533 118 T N -2.421 112.126 114.554 -0.010 0.000 2.985 118 T HA 0.216 4.565 4.350 -0.003 0.000 0.254 118 T C 0.765 175.474 174.700 0.016 0.000 1.021 118 T CA -0.258 61.816 62.100 -0.044 0.000 0.957 118 T CB -0.006 68.697 68.868 -0.275 0.000 1.047 118 T HN -0.055 nan 8.240 nan 0.000 0.511 119 V N 2.656 122.574 119.914 0.007 0.000 2.475 119 V HA 0.222 4.340 4.120 -0.003 0.000 0.292 119 V C 0.221 176.310 176.094 -0.009 0.000 1.003 119 V CA 0.353 62.632 62.300 -0.036 0.000 1.120 119 V CB -0.072 31.665 31.823 -0.145 0.000 0.937 119 V HN 0.559 nan 8.190 nan 0.000 0.476 120 E N 5.017 125.228 120.200 0.018 0.000 2.272 120 E HA 0.586 4.934 4.350 -0.003 0.000 0.269 120 E C -1.080 175.548 176.600 0.046 0.000 0.877 120 E CA -0.822 55.602 56.400 0.040 0.000 0.755 120 E CB 1.688 31.422 29.700 0.058 0.000 1.192 120 E HN 0.562 nan 8.360 nan 0.000 0.422 121 L N 4.396 125.649 121.223 0.050 0.000 2.431 121 L HA 0.353 4.691 4.340 -0.003 0.000 0.260 121 L C -1.665 175.229 176.870 0.041 0.000 1.098 121 L CA -1.948 52.923 54.840 0.053 0.000 0.800 121 L CB 0.476 42.569 42.059 0.056 0.000 1.210 121 L HN 0.535 nan 8.230 nan 0.000 0.465 122 P HA -0.121 nan 4.420 nan 0.000 0.218 122 P C 0.528 177.842 177.300 0.023 0.000 1.148 122 P CA 1.148 64.265 63.100 0.028 0.000 0.822 122 P CB 0.047 31.761 31.700 0.025 0.000 0.784 123 N N -0.815 117.899 118.700 0.023 0.000 2.571 123 N HA -0.076 4.662 4.740 -0.003 0.000 0.189 123 N C 0.608 176.130 175.510 0.021 0.000 1.154 123 N CA 0.360 53.421 53.050 0.018 0.000 0.907 123 N CB -0.711 37.785 38.487 0.015 0.000 0.977 123 N HN 0.101 nan 8.380 nan 0.000 0.449 124 R N 0.172 120.688 120.500 0.027 0.000 3.875 124 R HA -0.175 4.163 4.340 -0.003 0.000 0.321 124 R C -0.809 175.511 176.300 0.033 0.000 1.196 124 R CA 0.737 56.856 56.100 0.031 0.000 0.868 124 R CB -2.009 28.308 30.300 0.028 0.000 1.333 124 R HN 0.448 nan 8.270 nan 0.000 0.522 125 S N -0.201 115.518 115.700 0.033 0.000 2.586 125 S HA 0.521 4.989 4.470 -0.003 0.000 0.274 125 S C 0.430 175.055 174.600 0.043 0.000 1.281 125 S CA -0.855 57.365 58.200 0.034 0.000 1.035 125 S CB 1.619 64.837 63.200 0.030 0.000 0.962 125 S HN 0.277 nan 8.310 nan 0.000 0.512 126 L N 3.200 124.451 121.223 0.046 0.000 2.426 126 L HA 0.343 4.682 4.340 -0.003 0.000 0.255 126 L C -1.506 175.395 176.870 0.053 0.000 1.080 126 L CA -2.003 52.867 54.840 0.051 0.000 0.960 126 L CB 1.214 43.310 42.059 0.062 0.000 1.326 126 L HN 0.591 nan 8.230 nan 0.000 0.441 127 P HA -0.173 nan 4.420 nan 0.000 0.220 127 P C 1.096 178.420 177.300 0.040 0.000 1.144 127 P CA 1.266 64.401 63.100 0.058 0.000 0.800 127 P CB 0.378 32.138 31.700 0.100 0.000 0.772 128 L N -2.137 119.098 121.223 0.020 0.000 2.607 128 L HA 0.178 4.517 4.340 -0.003 0.000 0.228 128 L C 2.374 179.298 176.870 0.091 0.000 1.123 128 L CA 0.018 54.839 54.840 -0.031 0.000 0.890 128 L CB -0.249 41.705 42.059 -0.176 0.000 1.103 128 L HN -0.063 nan 8.230 nan 0.000 0.468 129 L N -0.452 120.849 121.223 0.129 0.000 2.388 129 L HA -0.037 4.301 4.340 -0.003 0.000 0.209 129 L C 2.767 179.695 176.870 0.096 0.000 1.061 129 L CA 1.051 55.985 54.840 0.156 0.000 0.834 129 L CB -0.092 42.040 42.059 0.122 0.000 1.029 129 L HN 0.367 nan 8.230 nan 0.000 0.473 130 T N -1.296 113.300 114.554 0.069 0.000 2.685 130 T HA -0.152 4.196 4.350 -0.003 0.000 0.268 130 T C -0.499 174.231 174.700 0.049 0.000 1.034 130 T CA 1.273 63.405 62.100 0.053 0.000 1.149 130 T CB -1.756 67.137 68.868 0.042 0.000 0.860 130 T HN 0.116 nan 8.240 nan 0.000 0.449 131 P HA -0.005 nan 4.420 nan 0.000 0.216 131 P C 1.795 179.126 177.300 0.051 0.000 1.150 131 P CA 1.123 64.245 63.100 0.037 0.000 0.837 131 P CB -0.179 31.532 31.700 0.019 0.000 0.786 132 M N -1.256 118.387 119.600 0.071 0.000 2.254 132 M HA -0.019 4.459 4.480 -0.003 0.000 0.265 132 M C 2.033 178.369 176.300 0.059 0.000 1.066 132 M CA 1.467 56.810 55.300 0.072 0.000 1.123 132 M CB -1.804 30.840 32.600 0.073 0.000 1.388 132 M HN -0.120 nan 8.290 nan 0.000 0.425 133 S N 1.095 116.828 115.700 0.055 0.000 2.368 133 S HA -0.048 4.421 4.470 -0.003 0.000 0.225 133 S C 2.025 176.656 174.600 0.052 0.000 1.030 133 S CA 1.052 59.283 58.200 0.052 0.000 0.999 133 S CB -0.322 62.908 63.200 0.050 0.000 0.844 133 S HN 0.388 nan 8.310 nan 0.000 0.459 134 I N 1.390 121.990 120.570 0.049 0.000 2.163 134 I HA -0.207 3.962 4.170 -0.003 0.000 0.243 134 I C 2.047 178.188 176.117 0.041 0.000 1.085 134 I CA 1.296 62.623 61.300 0.046 0.000 1.347 134 I CB -0.381 37.643 38.000 0.041 0.000 1.044 134 I HN 0.253 nan 8.210 nan 0.000 0.408 135 I N 0.557 121.153 120.570 0.043 0.000 2.226 135 I HA -0.283 3.885 4.170 -0.003 0.000 0.245 135 I C 2.764 178.900 176.117 0.032 0.000 1.100 135 I CA 1.273 62.596 61.300 0.038 0.000 1.374 135 I CB -0.502 37.530 38.000 0.053 0.000 1.057 135 I HN 0.199 nan 8.210 nan 0.000 0.413 136 A N 0.971 123.823 122.820 0.053 0.000 1.933 136 A HA -0.113 4.205 4.320 -0.003 0.000 0.218 136 A C 2.439 180.049 177.584 0.044 0.000 1.175 136 A CA 1.843 53.920 52.037 0.067 0.000 0.628 136 A CB -1.353 17.697 19.000 0.083 0.000 0.814 136 A HN 0.457 nan 8.150 nan 0.000 0.444 137 G N -0.483 108.340 108.800 0.040 0.000 2.421 137 G HA2 -0.227 3.732 3.960 -0.003 0.000 0.216 137 G HA3 -0.227 3.732 3.960 -0.003 0.000 0.216 137 G C 1.769 176.672 174.900 0.006 0.000 1.171 137 G CA 0.870 45.991 45.100 0.035 0.000 0.775 137 G HN 0.567 nan 8.290 nan 0.000 0.543 138 R N -0.276 120.221 120.500 -0.006 0.000 2.096 138 R HA 0.102 4.441 4.340 -0.003 0.000 0.235 138 R C 2.580 178.812 176.300 -0.115 0.000 1.127 138 R CA 0.792 56.870 56.100 -0.037 0.000 0.968 138 R CB -0.414 29.874 30.300 -0.020 0.000 0.861 138 R HN 0.326 nan 8.270 nan 0.000 0.440 139 L N 0.793 121.914 121.223 -0.171 0.000 2.217 139 L HA -0.118 4.220 4.340 -0.003 0.000 0.211 139 L C 2.565 179.151 176.870 -0.472 0.000 1.107 139 L CA 1.028 55.606 54.840 -0.437 0.000 0.783 139 L CB -0.442 41.309 42.059 -0.513 0.000 0.919 139 L HN 0.280 nan 8.230 nan 0.000 0.442 140 S N -0.644 114.968 115.700 -0.147 0.000 2.387 140 S HA -0.174 4.294 4.470 -0.003 0.000 0.230 140 S C 1.850 176.429 174.600 -0.035 0.000 1.035 140 S CA 1.424 59.624 58.200 -0.001 0.000 1.014 140 S CB -0.840 62.393 63.200 0.054 0.000 0.836 140 S HN 0.203 nan 8.310 nan 0.000 0.466 141 V N 1.990 121.858 119.914 -0.077 0.000 2.488 141 V HA -0.109 4.009 4.120 -0.003 0.000 0.246 141 V C 2.889 178.932 176.094 -0.085 0.000 1.046 141 V CA 1.834 64.100 62.300 -0.058 0.000 1.053 141 V CB -0.918 30.876 31.823 -0.049 0.000 0.679 141 V HN 0.595 nan 8.190 nan 0.000 0.458 142 Q N -0.390 119.304 119.800 -0.176 0.000 2.050 142 Q HA -0.205 4.133 4.340 -0.003 0.000 0.202 142 Q C 2.167 178.094 176.000 -0.121 0.000 0.980 142 Q CA 2.041 57.726 55.803 -0.196 0.000 0.840 142 Q CB -0.136 28.410 28.738 -0.319 0.000 0.898 142 Q HN 0.527 nan 8.270 nan 0.000 0.424 143 F N -0.080 119.810 119.950 -0.100 0.000 2.146 143 F HA 0.027 4.554 4.527 -0.000 0.000 0.298 143 F C 2.357 178.108 175.800 -0.082 0.000 1.096 143 F CA 1.171 59.075 58.000 -0.160 0.000 1.275 143 F CB -1.265 37.542 39.000 -0.322 0.000 1.008 143 F HN 0.223 nan 8.300 nan 0.000 0.480 144 G N -0.443 108.433 108.800 0.127 0.000 2.442 144 G HA2 -0.178 3.780 3.960 -0.003 0.000 0.219 144 G HA3 -0.178 3.780 3.960 -0.003 0.000 0.219 144 G C 1.920 176.852 174.900 0.054 0.000 1.141 144 G CA 0.981 46.137 45.100 0.092 0.000 0.763 144 G HN 0.462 nan 8.290 nan 0.000 0.554 145 A N 0.807 123.628 122.820 0.002 0.000 1.902 145 A HA -0.030 4.288 4.320 -0.003 0.000 0.217 145 A C 2.317 179.860 177.584 -0.068 0.000 1.181 145 A CA 1.876 53.896 52.037 -0.030 0.000 0.623 145 A CB -0.453 18.520 19.000 -0.045 0.000 0.818 145 A HN 0.403 nan 8.150 nan 0.000 0.443 146 R N -1.583 118.839 120.500 -0.129 0.000 2.092 146 R HA -0.104 4.234 4.340 -0.003 0.000 0.231 146 R C 1.303 177.354 176.300 -0.416 0.000 1.119 146 R CA 1.747 57.666 56.100 -0.301 0.000 0.970 146 R CB -0.364 29.670 30.300 -0.445 0.000 0.864 146 R HN 0.430 nan 8.270 nan 0.000 0.440 147 F N 0.486 120.411 119.950 -0.041 0.000 2.780 147 F HA 0.110 4.635 4.527 -0.003 0.000 0.299 147 F C 1.660 177.443 175.800 -0.029 0.000 1.146 147 F CA 0.356 58.332 58.000 -0.039 0.000 1.428 147 F CB 0.108 39.071 39.000 -0.060 0.000 1.115 147 F HN -0.012 nan 8.300 nan 0.000 0.583 148 L N -0.454 120.812 121.223 0.072 0.000 2.554 148 L HA 0.007 4.346 4.340 -0.003 0.000 0.226 148 L C 0.596 177.475 176.870 0.015 0.000 1.137 148 L CA 0.346 55.212 54.840 0.042 0.000 0.863 148 L CB -0.337 41.734 42.059 0.019 0.000 0.985 148 L HN 0.021 nan 8.230 nan 0.000 0.451 149 E N -0.197 119.995 120.200 -0.013 0.000 2.373 149 E HA -0.046 4.302 4.350 -0.003 0.000 0.267 149 E C 0.654 177.255 176.600 0.002 0.000 1.032 149 E CA -0.251 56.134 56.400 -0.024 0.000 0.889 149 E CB 1.103 30.765 29.700 -0.064 0.000 0.984 149 E HN 0.020 nan 8.360 nan 0.000 0.425 150 R N 2.201 122.704 120.500 0.004 0.000 2.083 150 R HA -0.232 4.106 4.340 -0.003 0.000 0.237 150 R C 1.613 177.926 176.300 0.022 0.000 1.137 150 R CA 1.885 57.994 56.100 0.016 0.000 0.951 150 R CB 0.006 30.313 30.300 0.011 0.000 0.851 150 R HN 0.479 nan 8.270 nan 0.000 0.434 151 Q N -0.322 119.484 119.800 0.010 0.000 2.364 151 Q HA -0.061 4.277 4.340 -0.003 0.000 0.207 151 Q C 1.459 177.477 176.000 0.030 0.000 0.970 151 Q CA 1.030 56.842 55.803 0.015 0.000 0.888 151 Q CB 0.213 28.951 28.738 0.000 0.000 0.951 151 Q HN 0.336 nan 8.270 nan 0.000 0.469 152 Q N -1.735 118.083 119.800 0.030 0.000 2.392 152 Q HA 0.225 4.563 4.340 -0.003 0.000 0.203 152 Q C 1.007 177.120 176.000 0.189 0.000 0.917 152 Q CA 0.891 56.743 55.803 0.082 0.000 0.939 152 Q CB 1.268 29.972 28.738 -0.056 0.000 1.063 152 Q HN 0.458 nan 8.270 nan 0.000 0.516 153 G N -0.335 108.537 108.800 0.120 0.000 2.380 153 G HA2 -0.177 3.781 3.960 -0.003 0.000 0.197 153 G HA3 -0.177 3.781 3.960 -0.003 0.000 0.197 153 G C 0.570 175.522 174.900 0.087 0.000 1.001 153 G CA -0.282 44.884 45.100 0.110 0.000 0.668 153 G HN 0.566 nan 8.290 nan 0.000 0.483 154 G N 0.024 108.878 108.800 0.091 0.000 2.588 154 G HA2 0.492 4.450 3.960 -0.003 0.000 0.278 154 G HA3 0.492 4.450 3.960 -0.003 0.000 0.278 154 G C 1.036 175.961 174.900 0.042 0.000 1.307 154 G CA 0.277 45.416 45.100 0.065 0.000 1.016 154 G HN 0.786 nan 8.290 nan 0.000 0.503 155 R N -0.759 119.760 120.500 0.031 0.000 2.280 155 R HA 0.211 4.549 4.340 -0.003 0.000 0.207 155 R C 1.190 177.501 176.300 0.017 0.000 1.043 155 R CA 0.577 56.691 56.100 0.023 0.000 1.006 155 R CB -0.162 30.149 30.300 0.020 0.000 0.885 155 R HN 1.243 nan 8.270 nan 0.000 0.467 156 G N 0.619 109.428 108.800 0.015 0.000 2.520 156 G HA2 -0.168 3.790 3.960 -0.003 0.000 0.264 156 G HA3 -0.168 3.790 3.960 -0.003 0.000 0.264 156 G C -0.520 174.381 174.900 0.002 0.000 1.140 156 G CA -0.155 44.949 45.100 0.006 0.000 1.012 156 G HN 0.146 nan 8.290 nan 0.000 0.511 157 V N 1.242 121.156 119.914 0.001 0.000 2.495 157 V HA 0.689 4.807 4.120 -0.003 0.000 0.298 157 V C 0.417 176.506 176.094 -0.008 0.000 1.031 157 V CA -1.078 61.221 62.300 -0.002 0.000 0.871 157 V CB 1.837 33.660 31.823 0.000 0.000 0.988 157 V HN 0.591 nan 8.190 nan 0.000 0.432 158 L N 4.856 126.073 121.223 -0.010 0.000 2.281 158 L HA 0.380 4.718 4.340 -0.003 0.000 0.285 158 L C 0.978 177.840 176.870 -0.014 0.000 1.074 158 L CA 0.459 55.291 54.840 -0.014 0.000 0.817 158 L CB 0.742 42.793 42.059 -0.014 0.000 1.168 158 L HN 0.611 nan 8.230 nan 0.000 0.434 159 L N 4.265 125.478 121.223 -0.017 0.000 2.013 159 L HA -0.158 4.180 4.340 -0.003 0.000 0.212 159 L C 1.964 178.824 176.870 -0.017 0.000 1.073 159 L CA 1.720 56.549 54.840 -0.017 0.000 0.753 159 L CB -0.613 41.434 42.059 -0.021 0.000 0.890 159 L HN 0.950 nan 8.230 nan 0.000 0.432 160 G N -1.382 107.407 108.800 -0.017 0.000 2.650 160 G HA2 0.281 4.239 3.960 -0.003 0.000 0.214 160 G HA3 0.281 4.239 3.960 -0.003 0.000 0.214 160 G C 0.959 175.851 174.900 -0.013 0.000 1.136 160 G CA 0.507 45.597 45.100 -0.016 0.000 0.789 160 G HN 0.599 nan 8.290 nan 0.000 0.536 161 G N -1.064 107.728 108.800 -0.012 0.000 2.645 161 G HA2 0.112 4.071 3.960 -0.003 0.000 0.246 161 G HA3 0.112 4.071 3.960 -0.003 0.000 0.246 161 G C -0.072 174.822 174.900 -0.010 0.000 1.322 161 G CA 0.789 45.883 45.100 -0.010 0.000 0.898 161 G HN 1.636 nan 8.290 nan 0.000 0.573 162 V N -4.405 115.504 119.914 -0.008 0.000 3.087 162 V HA 0.785 4.903 4.120 -0.003 0.000 0.306 162 V C -2.734 173.356 176.094 -0.007 0.000 1.187 162 V CA -1.891 60.405 62.300 -0.008 0.000 0.999 162 V CB 1.845 33.663 31.823 -0.008 0.000 1.049 162 V HN 0.823 nan 8.190 nan 0.000 0.431 163 P HA 0.369 nan 4.420 nan 0.000 0.260 163 P C 0.982 178.279 177.300 -0.005 0.000 1.185 163 P CA 2.030 65.126 63.100 -0.006 0.000 0.763 163 P CB 0.541 32.238 31.700 -0.005 0.000 0.776 164 G N 1.416 110.213 108.800 -0.005 0.000 2.259 164 G HA2 -0.174 3.785 3.960 -0.003 0.000 0.217 164 G HA3 -0.174 3.785 3.960 -0.003 0.000 0.217 164 G C -0.108 174.790 174.900 -0.004 0.000 1.001 164 G CA -0.182 44.916 45.100 -0.004 0.000 0.627 164 G HN 0.536 nan 8.290 nan 0.000 0.501 165 V N 1.950 121.861 119.914 -0.005 0.000 2.555 165 V HA 0.559 4.677 4.120 -0.003 0.000 0.302 165 V C 0.432 176.523 176.094 -0.005 0.000 1.038 165 V CA -1.509 60.789 62.300 -0.004 0.000 0.887 165 V CB 1.879 33.699 31.823 -0.005 0.000 0.991 165 V HN 0.202 nan 8.190 nan 0.000 0.434 166 K N 4.979 125.376 120.400 -0.004 0.000 2.511 166 K HA 0.139 4.457 4.320 -0.003 0.000 0.280 166 K C -2.136 174.460 176.600 -0.006 0.000 1.008 166 K CA -0.724 55.560 56.287 -0.005 0.000 1.050 166 K CB 0.588 33.086 32.500 -0.003 0.000 0.889 166 K HN 0.453 nan 8.250 nan 0.000 0.484 167 P HA 0.108 nan 4.420 nan 0.000 0.277 167 P C 0.091 177.385 177.300 -0.010 0.000 1.271 167 P CA -0.525 62.568 63.100 -0.011 0.000 0.795 167 P CB 0.475 32.167 31.700 -0.014 0.000 1.101 168 G N 0.319 109.112 108.800 -0.011 0.000 2.569 168 G HA2 0.236 4.194 3.960 -0.003 0.000 0.249 168 G HA3 0.236 4.194 3.960 -0.003 0.000 0.249 168 G C -0.595 174.298 174.900 -0.011 0.000 1.216 168 G CA -0.346 44.749 45.100 -0.009 0.000 0.845 168 G HN 0.425 nan 8.290 nan 0.000 0.568 169 K N 0.738 121.134 120.400 -0.007 0.000 2.307 169 K HA 0.464 4.783 4.320 -0.003 0.000 0.263 169 K C -1.102 175.496 176.600 -0.004 0.000 0.973 169 K CA -0.487 55.797 56.287 -0.005 0.000 0.846 169 K CB 1.704 34.206 32.500 0.004 0.000 1.100 169 K HN 0.207 nan 8.250 nan 0.000 0.438 170 V N 4.645 124.553 119.914 -0.010 0.000 2.417 170 V HA 0.318 4.436 4.120 -0.003 0.000 0.291 170 V C -0.381 175.717 176.094 0.007 0.000 1.024 170 V CA -0.894 61.401 62.300 -0.008 0.000 0.861 170 V CB 1.722 33.531 31.823 -0.024 0.000 0.985 170 V HN 0.444 nan 8.190 nan 0.000 0.436 171 V N 6.780 126.713 119.914 0.032 0.000 2.384 171 V HA 0.524 4.642 4.120 -0.003 0.000 0.287 171 V C -0.231 175.909 176.094 0.078 0.000 1.020 171 V CA -0.379 61.971 62.300 0.084 0.000 0.850 171 V CB 1.710 33.596 31.823 0.105 0.000 0.987 171 V HN 0.683 nan 8.190 nan 0.000 0.436 172 I N 5.872 126.507 120.570 0.108 0.000 2.389 172 I HA 0.414 4.583 4.170 -0.003 0.000 0.288 172 I C -0.547 175.661 176.117 0.151 0.000 0.999 172 I CA -0.409 60.944 61.300 0.087 0.000 1.129 172 I CB 1.695 39.720 38.000 0.042 0.000 1.288 172 I HN 0.360 nan 8.210 nan 0.000 0.444 173 L N 6.789 128.069 121.223 0.095 0.000 2.259 173 L HA 0.711 5.049 4.340 -0.003 0.000 0.288 173 L C 0.345 177.258 176.870 0.071 0.000 1.051 173 L CA -0.399 54.492 54.840 0.084 0.000 0.824 173 L CB 0.770 42.827 42.059 -0.003 0.000 1.206 173 L HN 0.895 nan 8.230 nan 0.000 0.429 174 G N 1.679 110.536 108.800 0.096 0.000 3.326 174 G HA2 0.040 3.999 3.960 -0.003 0.000 0.681 174 G HA3 0.040 3.999 3.960 -0.003 0.000 0.681 174 G C 0.053 175.004 174.900 0.086 0.000 1.255 174 G CA -0.459 44.686 45.100 0.074 0.000 0.976 174 G HN 0.756 nan 8.290 nan 0.000 0.563 175 G N 0.450 109.305 108.800 0.091 0.000 3.502 175 G HA2 0.624 4.583 3.960 -0.003 0.000 0.267 175 G HA3 0.624 4.583 3.960 -0.003 0.000 0.267 175 G C 0.993 175.966 174.900 0.120 0.000 1.090 175 G CA 1.030 46.197 45.100 0.112 0.000 0.795 175 G HN 1.287 nan 8.290 nan 0.000 0.535 176 G N -0.182 108.673 108.800 0.093 0.000 2.489 176 G HA2 0.280 4.238 3.960 -0.003 0.000 0.271 176 G HA3 0.280 4.238 3.960 -0.003 0.000 0.271 176 G C 1.310 176.266 174.900 0.093 0.000 1.427 176 G CA 0.257 45.406 45.100 0.082 0.000 1.057 176 G HN 0.012 nan 8.290 nan 0.000 0.532 177 V N -0.604 119.354 119.914 0.073 0.000 2.250 177 V HA -0.220 3.898 4.120 -0.003 0.000 0.250 177 V C 3.086 179.228 176.094 0.080 0.000 1.060 177 V CA 2.013 64.358 62.300 0.075 0.000 1.030 177 V CB -0.756 31.100 31.823 0.054 0.000 0.643 177 V HN 0.388 nan 8.190 nan 0.000 0.445 178 V N 0.564 120.520 119.914 0.070 0.000 2.295 178 V HA -0.179 3.939 4.120 -0.003 0.000 0.246 178 V C 2.598 178.736 176.094 0.074 0.000 1.049 178 V CA 2.268 64.608 62.300 0.066 0.000 1.024 178 V CB -1.374 30.484 31.823 0.058 0.000 0.648 178 V HN 0.626 nan 8.190 nan 0.000 0.447 179 G N -0.865 107.983 108.800 0.080 0.000 2.422 179 G HA2 -0.189 3.770 3.960 -0.003 0.000 0.218 179 G HA3 -0.189 3.770 3.960 -0.003 0.000 0.218 179 G C 1.678 176.642 174.900 0.108 0.000 1.140 179 G CA 1.363 46.512 45.100 0.081 0.000 0.775 179 G HN 0.473 nan 8.290 nan 0.000 0.545 180 T N 0.977 115.622 114.554 0.151 0.000 2.777 180 T HA -0.042 4.306 4.350 -0.003 0.000 0.266 180 T C 2.249 177.087 174.700 0.229 0.000 1.040 180 T CA 1.237 63.483 62.100 0.243 0.000 1.141 180 T CB -0.077 68.932 68.868 0.236 0.000 0.868 180 T HN 0.170 nan 8.240 nan 0.000 0.444 181 E N 1.353 121.639 120.200 0.142 0.000 2.106 181 E HA 0.002 4.350 4.350 -0.003 0.000 0.192 181 E C 2.507 179.158 176.600 0.085 0.000 0.984 181 E CA 1.038 57.503 56.400 0.108 0.000 0.806 181 E CB -0.532 29.211 29.700 0.073 0.000 0.750 181 E HN 0.507 nan 8.360 nan 0.000 0.458 182 A N 1.522 124.381 122.820 0.066 0.000 1.902 182 A HA -0.067 4.251 4.320 -0.003 0.000 0.217 182 A C 2.436 180.028 177.584 0.013 0.000 1.181 182 A CA 2.022 54.077 52.037 0.031 0.000 0.623 182 A CB -0.608 18.407 19.000 0.026 0.000 0.818 182 A HN 0.264 nan 8.150 nan 0.000 0.443 183 A N -0.209 122.616 122.820 0.008 0.000 1.933 183 A HA -0.177 4.141 4.320 -0.003 0.000 0.218 183 A C 2.097 179.653 177.584 -0.047 0.000 1.175 183 A CA 1.861 53.825 52.037 -0.122 0.000 0.628 183 A CB -0.433 18.367 19.000 -0.334 0.000 0.814 183 A HN 0.558 nan 8.150 nan 0.000 0.444 184 K N -1.045 119.454 120.400 0.165 0.000 2.057 184 K HA -0.115 4.204 4.320 -0.003 0.000 0.207 184 K C 2.039 178.693 176.600 0.090 0.000 1.049 184 K CA 1.592 58.015 56.287 0.225 0.000 0.931 184 K CB -0.252 32.370 32.500 0.202 0.000 0.714 184 K HN 0.382 nan 8.250 nan 0.000 0.440 185 M N 0.027 119.653 119.600 0.044 0.000 2.200 185 M HA -0.035 4.444 4.480 -0.003 0.000 0.265 185 M C 2.385 178.679 176.300 -0.010 0.000 1.066 185 M CA 1.200 56.505 55.300 0.009 0.000 1.127 185 M CB -0.924 31.668 32.600 -0.013 0.000 1.379 185 M HN 0.129 nan 8.290 nan 0.000 0.420 186 A N -0.084 122.722 122.820 -0.024 0.000 1.898 186 A HA -0.044 4.274 4.320 -0.003 0.000 0.216 186 A C 2.466 180.024 177.584 -0.044 0.000 1.181 186 A CA 1.385 53.398 52.037 -0.041 0.000 0.620 186 A CB -0.889 18.077 19.000 -0.057 0.000 0.819 186 A HN 0.266 nan 8.150 nan 0.000 0.442 187 V N -0.053 119.831 119.914 -0.050 0.000 2.427 187 V HA -0.167 3.951 4.120 -0.003 0.000 0.248 187 V C 2.779 178.870 176.094 -0.004 0.000 1.051 187 V CA 1.889 64.166 62.300 -0.038 0.000 1.048 187 V CB -1.234 30.573 31.823 -0.027 0.000 0.666 187 V HN 0.617 nan 8.190 nan 0.000 0.456 188 G N -0.410 108.396 108.800 0.010 0.000 2.422 188 G HA2 -0.202 3.757 3.960 -0.003 0.000 0.218 188 G HA3 -0.202 3.757 3.960 -0.003 0.000 0.218 188 G C 1.463 176.361 174.900 -0.004 0.000 1.146 188 G CA 0.685 45.791 45.100 0.010 0.000 0.769 188 G HN 0.503 nan 8.290 nan 0.000 0.547 189 L N 0.131 121.346 121.223 -0.013 0.000 2.554 189 L HA 0.236 4.574 4.340 -0.003 0.000 0.226 189 L C 2.036 178.896 176.870 -0.018 0.000 1.137 189 L CA 0.518 55.348 54.840 -0.018 0.000 0.863 189 L CB 0.006 42.051 42.059 -0.024 0.000 0.985 189 L HN 0.413 nan 8.230 nan 0.000 0.451 190 G N -0.185 108.604 108.800 -0.017 0.000 2.141 190 G HA2 -0.222 3.736 3.960 -0.003 0.000 0.231 190 G HA3 -0.222 3.736 3.960 -0.003 0.000 0.231 190 G C 0.380 175.266 174.900 -0.023 0.000 0.984 190 G CA -0.036 45.053 45.100 -0.018 0.000 0.660 190 G HN 0.471 nan 8.290 nan 0.000 0.525 191 A N -0.362 122.440 122.820 -0.029 0.000 2.327 191 A HA 0.659 4.978 4.320 -0.003 0.000 0.255 191 A C 0.593 178.153 177.584 -0.040 0.000 1.099 191 A CA 0.116 52.134 52.037 -0.032 0.000 0.801 191 A CB 0.359 19.338 19.000 -0.034 0.000 1.062 191 A HN 0.305 nan 8.150 nan 0.000 0.496 192 Q N 0.082 119.861 119.800 -0.036 0.000 2.279 192 Q HA 0.476 4.814 4.340 -0.003 0.000 0.256 192 Q C -0.987 174.980 176.000 -0.054 0.000 0.937 192 Q CA -0.050 55.728 55.803 -0.042 0.000 0.933 192 Q CB 1.461 30.182 28.738 -0.028 0.000 1.189 192 Q HN 0.432 nan 8.270 nan 0.000 0.417 193 V N 3.114 122.978 119.914 -0.084 0.000 2.604 193 V HA 0.410 4.528 4.120 -0.003 0.000 0.305 193 V C -0.463 175.559 176.094 -0.121 0.000 1.043 193 V CA -0.824 61.411 62.300 -0.109 0.000 0.888 193 V CB 2.093 33.811 31.823 -0.175 0.000 0.995 193 V HN 0.674 nan 8.190 nan 0.000 0.429 194 Q N 3.759 123.505 119.800 -0.091 0.000 2.340 194 Q HA 0.702 5.041 4.340 -0.003 0.000 0.268 194 Q C -1.347 174.589 176.000 -0.107 0.000 1.031 194 Q CA -0.449 55.279 55.803 -0.126 0.000 0.804 194 Q CB 3.065 31.764 28.738 -0.065 0.000 1.286 194 Q HN 0.658 nan 8.270 nan 0.000 0.448 195 I N 2.296 122.749 120.570 -0.194 0.000 2.433 195 I HA 0.445 4.614 4.170 -0.003 0.000 0.292 195 I C -1.003 175.003 176.117 -0.185 0.000 1.001 195 I CA -0.670 60.576 61.300 -0.089 0.000 1.119 195 I CB 1.122 39.083 38.000 -0.064 0.000 1.289 195 I HN 0.455 nan 8.210 nan 0.000 0.438 196 F N 3.952 123.896 119.950 -0.010 0.000 2.480 196 F HA 0.526 5.053 4.527 0.000 0.000 0.329 196 F C 0.112 175.900 175.800 -0.020 0.000 1.091 196 F CA -0.267 57.723 58.000 -0.016 0.000 0.972 196 F CB 1.539 40.517 39.000 -0.036 0.000 1.150 196 F HN 0.379 nan 8.300 nan 0.000 0.467 197 D N 2.147 122.633 120.400 0.144 0.000 2.623 197 D HA 0.271 4.909 4.640 -0.003 0.000 0.241 197 D C 0.031 176.319 176.300 -0.020 0.000 1.241 197 D CA -0.357 53.685 54.000 0.071 0.000 0.788 197 D CB 2.089 42.940 40.800 0.086 0.000 1.413 197 D HN 0.564 nan 8.370 nan 0.000 0.429 198 I N -0.805 119.733 120.570 -0.053 0.000 3.883 198 I HA 0.294 4.462 4.170 -0.003 0.000 0.326 198 I C 0.468 176.670 176.117 0.141 0.000 1.283 198 I CA -0.186 61.033 61.300 -0.135 0.000 1.161 198 I CB -0.032 37.895 38.000 -0.122 0.000 1.012 198 I HN -0.055 nan 8.210 nan 0.000 0.421 199 N N 1.433 120.213 118.700 0.133 0.000 2.485 199 N HA 0.230 4.968 4.740 -0.003 0.000 0.243 199 N C 0.708 176.317 175.510 0.165 0.000 0.987 199 N CA -0.308 52.831 53.050 0.148 0.000 0.940 199 N CB 1.714 40.258 38.487 0.095 0.000 1.122 199 N HN -0.047 nan 8.380 nan 0.000 0.509 200 V N 2.914 122.936 119.914 0.180 0.000 2.490 200 V HA -0.145 3.973 4.120 -0.003 0.000 0.250 200 V C 2.108 178.265 176.094 0.105 0.000 1.061 200 V CA 1.355 63.737 62.300 0.137 0.000 1.064 200 V CB -0.323 31.549 31.823 0.082 0.000 0.670 200 V HN 0.642 nan 8.190 nan 0.000 0.461 201 E N 0.170 120.426 120.200 0.094 0.000 2.077 201 E HA -0.235 4.113 4.350 -0.003 0.000 0.193 201 E C 2.395 179.070 176.600 0.124 0.000 0.989 201 E CA 1.170 57.624 56.400 0.089 0.000 0.800 201 E CB -0.169 29.570 29.700 0.065 0.000 0.746 201 E HN 0.406 nan 8.360 nan 0.000 0.452 202 R N 0.981 121.555 120.500 0.123 0.000 2.075 202 R HA -0.036 4.302 4.340 -0.003 0.000 0.232 202 R C 2.444 178.861 176.300 0.194 0.000 1.126 202 R CA 0.942 57.138 56.100 0.159 0.000 0.963 202 R CB -0.731 29.642 30.300 0.121 0.000 0.858 202 R HN 0.137 nan 8.270 nan 0.000 0.435 203 L N -0.229 121.082 121.223 0.147 0.000 2.042 203 L HA -0.182 4.156 4.340 -0.003 0.000 0.210 203 L C 2.337 179.272 176.870 0.108 0.000 1.076 203 L CA 1.675 56.588 54.840 0.122 0.000 0.749 203 L CB -0.493 41.628 42.059 0.103 0.000 0.893 203 L HN 0.208 nan 8.230 nan 0.000 0.432 204 S N -1.221 114.544 115.700 0.109 0.000 2.368 204 S HA -0.230 4.239 4.470 -0.003 0.000 0.225 204 S C 1.873 176.525 174.600 0.086 0.000 1.030 204 S CA 1.244 59.495 58.200 0.084 0.000 0.999 204 S CB -0.374 62.873 63.200 0.079 0.000 0.844 204 S HN 0.435 nan 8.310 nan 0.000 0.459 205 Y N 2.361 122.677 120.300 0.028 0.000 2.181 205 Y HA -0.082 4.472 4.550 0.007 0.000 0.288 205 Y C 1.812 177.718 175.900 0.010 0.000 1.146 205 Y CA 1.263 59.371 58.100 0.013 0.000 1.164 205 Y CB -0.533 37.935 38.460 0.015 0.000 0.982 205 Y HN 0.149 nan 8.280 nan 0.000 0.515 206 L N 0.487 121.681 121.223 -0.049 0.000 2.127 206 L HA -0.227 4.112 4.340 -0.003 0.000 0.211 206 L C 2.475 179.309 176.870 -0.060 0.000 1.089 206 L CA 1.922 56.730 54.840 -0.055 0.000 0.757 206 L CB -0.746 41.438 42.059 0.207 0.000 0.899 206 L HN 0.392 nan 8.230 nan 0.000 0.434 207 E N 0.351 120.530 120.200 -0.035 0.000 2.150 207 E HA -0.222 4.126 4.350 -0.003 0.000 0.193 207 E C 1.935 178.474 176.600 -0.102 0.000 0.985 207 E CA 1.760 58.150 56.400 -0.016 0.000 0.814 207 E CB -0.303 29.396 29.700 -0.002 0.000 0.752 207 E HN 0.481 nan 8.360 nan 0.000 0.466 208 T N -1.219 113.205 114.554 -0.215 0.000 2.962 208 T HA -0.032 4.317 4.350 -0.003 0.000 0.270 208 T C 1.834 176.339 174.700 -0.325 0.000 1.088 208 T CA 0.998 62.952 62.100 -0.243 0.000 1.127 208 T CB -0.255 68.460 68.868 -0.256 0.000 0.883 208 T HN 0.196 nan 8.240 nan 0.000 0.493 209 L N -1.418 119.514 121.223 -0.486 0.000 2.102 209 L HA 0.274 4.612 4.340 -0.003 0.000 0.202 209 L C 2.014 178.553 176.870 -0.552 0.000 1.076 209 L CA 1.022 55.481 54.840 -0.636 0.000 0.761 209 L CB -0.239 41.189 42.059 -1.051 0.000 0.921 209 L HN 0.215 nan 8.230 nan 0.000 0.444 210 F N -0.464 119.420 119.950 -0.110 0.000 2.731 210 F HA 0.353 4.872 4.527 -0.014 0.000 0.298 210 F C 1.700 177.464 175.800 -0.061 0.000 1.106 210 F CA 0.302 58.259 58.000 -0.072 0.000 1.329 210 F CB -0.462 38.502 39.000 -0.060 0.000 1.100 210 F HN 0.135 nan 8.300 nan 0.000 0.592 211 G N 1.099 109.941 108.800 0.070 0.000 2.566 211 G HA2 -0.352 3.606 3.960 -0.003 0.000 0.280 211 G HA3 -0.352 3.606 3.960 -0.003 0.000 0.280 211 G C 0.949 175.880 174.900 0.052 0.000 1.225 211 G CA 0.443 45.565 45.100 0.036 0.000 0.966 211 G HN 0.558 nan 8.290 nan 0.000 0.560 212 S N -0.081 115.636 115.700 0.029 0.000 2.614 212 S HA 0.294 4.762 4.470 -0.003 0.000 0.230 212 S C 1.690 176.293 174.600 0.006 0.000 0.952 212 S CA 1.053 59.261 58.200 0.013 0.000 0.949 212 S CB 0.740 63.941 63.200 0.002 0.000 0.786 212 S HN 0.898 nan 8.310 nan 0.000 0.478 213 R N 1.469 121.983 120.500 0.024 0.000 2.153 213 R HA 0.241 4.579 4.340 -0.003 0.000 0.218 213 R C 0.040 176.307 176.300 -0.054 0.000 1.072 213 R CA 0.741 56.842 56.100 0.001 0.000 0.990 213 R CB -0.441 29.882 30.300 0.038 0.000 0.889 213 R HN 0.363 nan 8.270 nan 0.000 0.452 214 V N 1.208 121.072 119.914 -0.082 0.000 2.628 214 V HA 0.302 4.420 4.120 -0.003 0.000 0.306 214 V C -0.425 175.595 176.094 -0.124 0.000 1.045 214 V CA -1.003 61.191 62.300 -0.176 0.000 0.905 214 V CB 1.934 33.525 31.823 -0.387 0.000 0.997 214 V HN 0.185 nan 8.190 nan 0.000 0.436 215 E N 3.722 123.840 120.200 -0.137 0.000 2.223 215 E HA 0.376 4.724 4.350 -0.003 0.000 0.282 215 E C -1.170 175.321 176.600 -0.182 0.000 1.046 215 E CA -0.233 56.086 56.400 -0.135 0.000 0.857 215 E CB 1.053 30.671 29.700 -0.136 0.000 1.055 215 E HN 0.431 nan 8.360 nan 0.000 0.409 216 L N 5.921 127.060 121.223 -0.141 0.000 2.277 216 L HA 0.401 4.739 4.340 -0.003 0.000 0.284 216 L C -0.567 176.207 176.870 -0.161 0.000 1.028 216 L CA -0.331 54.429 54.840 -0.133 0.000 0.835 216 L CB 0.303 42.340 42.059 -0.037 0.000 1.215 216 L HN 0.319 nan 8.230 nan 0.000 0.425 217 L N 2.674 123.706 121.223 -0.318 0.000 2.365 217 L HA 0.439 4.778 4.340 -0.003 0.000 0.273 217 L C -0.589 176.220 176.870 -0.102 0.000 1.000 217 L CA -0.947 53.693 54.840 -0.333 0.000 0.819 217 L CB 1.992 43.573 42.059 -0.797 0.000 1.284 217 L HN 0.329 nan 8.230 nan 0.000 0.418 218 Y N 1.759 122.050 120.300 -0.015 0.000 2.425 218 Y HA 0.065 4.612 4.550 -0.004 0.000 0.331 218 Y C 0.546 176.604 175.900 0.263 0.000 1.157 218 Y CA -0.612 57.549 58.100 0.101 0.000 1.372 218 Y CB 0.911 39.416 38.460 0.074 0.000 1.253 218 Y HN 0.602 nan 8.280 nan 0.000 0.536 219 S N 5.597 121.098 115.700 -0.332 0.000 2.498 219 S HA 0.238 4.706 4.470 -0.003 0.000 0.314 219 S C -0.615 173.820 174.600 -0.276 0.000 1.141 219 S CA -0.676 57.445 58.200 -0.131 0.000 1.087 219 S CB -0.429 62.689 63.200 -0.136 0.000 1.178 219 S HN 0.593 nan 8.310 nan 0.000 0.533 220 N N 1.061 119.747 118.700 -0.025 0.000 2.258 220 N HA 0.392 5.131 4.740 -0.003 0.000 0.299 220 N C 0.690 176.192 175.510 -0.014 0.000 1.047 220 N CA -0.660 52.403 53.050 0.020 0.000 0.814 220 N CB 1.936 40.527 38.487 0.173 0.000 1.413 220 N HN 0.314 nan 8.380 nan 0.000 0.478 221 S N 0.712 116.395 115.700 -0.028 0.000 2.381 221 S HA -0.279 4.190 4.470 -0.003 0.000 0.230 221 S C 1.844 176.424 174.600 -0.033 0.000 1.052 221 S CA 1.870 60.042 58.200 -0.047 0.000 1.068 221 S CB -0.275 62.911 63.200 -0.023 0.000 0.918 221 S HN 0.736 nan 8.310 nan 0.000 0.448 222 A N 1.431 124.257 122.820 0.010 0.000 1.865 222 A HA -0.194 4.125 4.320 -0.003 0.000 0.217 222 A C 2.131 179.735 177.584 0.034 0.000 1.191 222 A CA 1.943 53.995 52.037 0.025 0.000 0.623 222 A CB -0.729 18.300 19.000 0.048 0.000 0.826 222 A HN 0.431 nan 8.150 nan 0.000 0.444 223 E N -0.125 120.122 120.200 0.078 0.000 2.106 223 E HA -0.057 4.292 4.350 -0.003 0.000 0.192 223 E C 1.887 178.511 176.600 0.041 0.000 0.984 223 E CA 0.864 57.357 56.400 0.155 0.000 0.806 223 E CB -0.255 29.652 29.700 0.346 0.000 0.750 223 E HN 0.665 nan 8.360 nan 0.000 0.458 224 I N 0.907 121.355 120.570 -0.202 0.000 2.208 224 I HA -0.293 3.875 4.170 -0.003 0.000 0.245 224 I C 2.063 178.049 176.117 -0.219 0.000 1.097 224 I CA 1.398 62.411 61.300 -0.478 0.000 1.363 224 I CB -0.533 37.188 38.000 -0.465 0.000 1.051 224 I HN 0.216 nan 8.210 nan 0.000 0.413 225 E N 0.538 120.672 120.200 -0.109 0.000 2.058 225 E HA -0.189 4.159 4.350 -0.003 0.000 0.194 225 E C 2.164 178.749 176.600 -0.026 0.000 0.997 225 E CA 1.992 58.358 56.400 -0.057 0.000 0.801 225 E CB -0.124 29.559 29.700 -0.029 0.000 0.746 225 E HN 0.488 nan 8.360 nan 0.000 0.450 226 T N 0.978 115.533 114.554 0.001 0.000 2.674 226 T HA -0.159 4.190 4.350 -0.003 0.000 0.265 226 T C 1.997 176.721 174.700 0.040 0.000 1.039 226 T CA 1.314 63.431 62.100 0.028 0.000 1.150 226 T CB -0.288 68.611 68.868 0.052 0.000 0.864 226 T HN 0.254 nan 8.240 nan 0.000 0.427 227 A N 1.109 123.970 122.820 0.069 0.000 1.865 227 A HA -0.087 4.231 4.320 -0.003 0.000 0.217 227 A C 2.605 180.216 177.584 0.046 0.000 1.191 227 A CA 1.657 53.759 52.037 0.108 0.000 0.623 227 A CB -1.215 17.944 19.000 0.264 0.000 0.826 227 A HN 0.330 nan 8.150 nan 0.000 0.444 228 V N -0.055 119.852 119.914 -0.013 0.000 2.392 228 V HA -0.281 3.837 4.120 -0.003 0.000 0.249 228 V C 3.013 179.105 176.094 -0.004 0.000 1.059 228 V CA 1.978 64.263 62.300 -0.024 0.000 1.051 228 V CB -1.209 30.576 31.823 -0.063 0.000 0.658 228 V HN 0.640 nan 8.190 nan 0.000 0.455 229 A N -0.561 122.259 122.820 0.001 0.000 2.019 229 A HA -0.214 4.105 4.320 -0.003 0.000 0.219 229 A C 2.056 179.648 177.584 0.013 0.000 1.164 229 A CA 1.740 53.782 52.037 0.008 0.000 0.644 229 A CB -0.349 18.655 19.000 0.006 0.000 0.805 229 A HN 0.652 nan 8.150 nan 0.000 0.449 230 E N -0.400 119.811 120.200 0.018 0.000 2.479 230 E HA 0.342 4.690 4.350 -0.003 0.000 0.193 230 E C 0.571 177.181 176.600 0.017 0.000 1.049 230 E CA 0.023 56.434 56.400 0.018 0.000 0.870 230 E CB 0.187 29.901 29.700 0.024 0.000 0.944 230 E HN 0.583 nan 8.360 nan 0.000 0.492 231 A N 1.160 123.989 122.820 0.015 0.000 2.425 231 A HA 0.030 4.348 4.320 -0.003 0.000 0.249 231 A C 0.475 178.061 177.584 0.003 0.000 1.084 231 A CA -0.172 51.871 52.037 0.011 0.000 0.781 231 A CB 0.415 19.420 19.000 0.008 0.000 1.019 231 A HN 0.017 nan 8.150 nan 0.000 0.490 232 D N 0.257 120.658 120.400 0.001 0.000 2.323 232 D HA 0.114 4.753 4.640 -0.003 0.000 0.218 232 D C -0.005 176.291 176.300 -0.006 0.000 0.973 232 D CA 0.852 54.852 54.000 -0.001 0.000 0.890 232 D CB 0.323 41.123 40.800 0.000 0.000 1.011 232 D HN 0.368 nan 8.370 nan 0.000 0.499 233 L N 1.676 122.894 121.223 -0.008 0.000 2.439 233 L HA 0.340 4.679 4.340 -0.003 0.000 0.270 233 L C -1.741 175.121 176.870 -0.013 0.000 0.972 233 L CA -0.735 54.098 54.840 -0.012 0.000 0.836 233 L CB 2.340 44.397 42.059 -0.005 0.000 1.255 233 L HN -0.133 nan 8.230 nan 0.000 0.404 234 L N 6.225 127.430 121.223 -0.030 0.000 2.313 234 L HA 0.613 4.951 4.340 -0.003 0.000 0.283 234 L C -1.129 175.726 176.870 -0.024 0.000 1.013 234 L CA 0.047 54.871 54.840 -0.027 0.000 0.816 234 L CB 1.544 43.574 42.059 -0.048 0.000 1.236 234 L HN 0.466 nan 8.230 nan 0.000 0.419 235 I N 4.926 125.495 120.570 -0.001 0.000 2.382 235 I HA 0.424 4.593 4.170 -0.003 0.000 0.286 235 I C 0.504 176.630 176.117 0.015 0.000 1.002 235 I CA -0.599 60.708 61.300 0.012 0.000 1.135 235 I CB 1.782 39.795 38.000 0.022 0.000 1.288 235 I HN 0.805 nan 8.210 nan 0.000 0.448 236 G N 4.454 113.262 108.800 0.012 0.000 2.338 236 G HA2 0.501 4.459 3.960 -0.003 0.000 0.295 236 G HA3 0.501 4.459 3.960 -0.003 0.000 0.295 236 G C 0.228 175.145 174.900 0.029 0.000 1.132 236 G CA -0.208 44.899 45.100 0.012 0.000 0.922 236 G HN 0.786 nan 8.290 nan 0.000 0.427 237 A N 3.007 125.847 122.820 0.033 0.000 2.643 237 A HA 0.470 4.788 4.320 -0.003 0.000 0.295 237 A C 0.120 177.728 177.584 0.040 0.000 1.065 237 A CA -0.184 51.879 52.037 0.042 0.000 0.986 237 A CB 0.621 19.652 19.000 0.052 0.000 1.212 237 A HN 0.568 nan 8.150 nan 0.000 0.516 238 V N 1.143 121.074 119.914 0.029 0.000 2.258 238 V HA 0.210 4.328 4.120 -0.003 0.000 0.258 238 V C -0.293 175.815 176.094 0.023 0.000 1.121 238 V CA -0.058 62.257 62.300 0.025 0.000 0.942 238 V CB 0.526 32.358 31.823 0.014 0.000 1.170 238 V HN 0.472 nan 8.190 nan 0.000 0.487 239 L N 5.457 126.697 121.223 0.028 0.000 2.352 239 L HA 0.346 4.684 4.340 -0.003 0.000 0.272 239 L C 0.202 177.087 176.870 0.025 0.000 1.109 239 L CA 0.360 55.216 54.840 0.026 0.000 0.952 239 L CB 1.198 43.276 42.059 0.031 0.000 1.314 239 L HN 0.382 nan 8.230 nan 0.000 0.427 240 V N 6.924 126.850 119.914 0.020 0.000 2.287 240 V HA 0.161 4.279 4.120 -0.003 0.000 0.246 240 V C -1.128 174.979 176.094 0.021 0.000 1.165 240 V CA -0.948 61.363 62.300 0.020 0.000 1.088 240 V CB 0.402 32.234 31.823 0.015 0.000 1.242 240 V HN 0.606 nan 8.190 nan 0.000 0.497 241 P HA -0.063 nan 4.420 nan 0.000 0.247 241 P C 0.994 178.316 177.300 0.036 0.000 1.215 241 P CA 1.182 64.303 63.100 0.034 0.000 0.752 241 P CB 0.235 31.960 31.700 0.042 0.000 0.927 242 G N -1.179 107.637 108.800 0.027 0.000 2.451 242 G HA2 0.157 4.116 3.960 -0.003 0.000 0.188 242 G HA3 0.157 4.116 3.960 -0.003 0.000 0.188 242 G C 0.449 175.357 174.900 0.013 0.000 1.512 242 G CA -0.193 44.922 45.100 0.025 0.000 0.679 242 G HN 0.047 nan 8.290 nan 0.000 0.640 243 R N 0.609 121.115 120.500 0.010 0.000 2.758 243 R HA 0.511 4.849 4.340 -0.003 0.000 0.265 243 R C -0.283 176.020 176.300 0.005 0.000 1.016 243 R CA -0.739 55.363 56.100 0.004 0.000 1.040 243 R CB 1.331 31.632 30.300 0.002 0.000 1.152 243 R HN 0.213 nan 8.270 nan 0.000 0.503 244 R N 0.293 120.794 120.500 0.002 0.000 2.817 244 R HA 0.102 4.440 4.340 -0.003 0.000 0.264 244 R C 0.190 176.492 176.300 0.004 0.000 1.009 244 R CA 0.189 56.290 56.100 0.002 0.000 1.133 244 R CB 0.042 30.342 30.300 0.001 0.000 1.013 244 R HN 0.596 nan 8.270 nan 0.000 0.453 245 A N 3.039 125.862 122.820 0.004 0.000 2.286 245 A HA 0.503 4.822 4.320 -0.003 0.000 0.286 245 A C -1.943 175.641 177.584 -0.000 0.000 1.097 245 A CA -1.502 50.536 52.037 0.002 0.000 0.821 245 A CB -0.027 18.975 19.000 0.003 0.000 1.076 245 A HN 0.626 nan 8.150 nan 0.000 0.490 246 P HA 0.358 nan 4.420 nan 0.000 0.276 246 P C -0.904 176.390 177.300 -0.010 0.000 1.252 246 P CA -0.434 62.662 63.100 -0.006 0.000 0.802 246 P CB 0.549 32.243 31.700 -0.010 0.000 1.035 247 I N 1.731 122.296 120.570 -0.009 0.000 2.379 247 I HA 0.076 4.245 4.170 -0.003 0.000 0.290 247 I C 1.489 177.592 176.117 -0.023 0.000 1.063 247 I CA -0.097 61.197 61.300 -0.010 0.000 1.351 247 I CB -0.331 37.668 38.000 -0.001 0.000 1.410 247 I HN 0.299 nan 8.210 nan 0.000 0.505 248 L N 6.193 127.395 121.223 -0.036 0.000 2.515 248 L HA 0.232 4.570 4.340 -0.003 0.000 0.223 248 L C 0.084 176.915 176.870 -0.065 0.000 1.079 248 L CA 0.383 55.184 54.840 -0.064 0.000 0.857 248 L CB 0.188 42.196 42.059 -0.084 0.000 1.050 248 L HN 0.257 nan 8.230 nan 0.000 0.476 249 V N 1.887 121.778 119.914 -0.039 0.000 2.340 249 V HA 0.341 4.459 4.120 -0.003 0.000 0.277 249 V C -2.401 173.698 176.094 0.008 0.000 1.017 249 V CA -1.378 60.907 62.300 -0.026 0.000 0.820 249 V CB 1.324 33.127 31.823 -0.032 0.000 1.028 249 V HN -0.063 nan 8.190 nan 0.000 0.436 250 P HA 0.307 nan 4.420 nan 0.000 0.279 250 P C 0.763 178.112 177.300 0.082 0.000 1.252 250 P CA -0.307 62.818 63.100 0.041 0.000 0.811 250 P CB 1.840 33.558 31.700 0.030 0.000 1.035 251 A N 2.308 125.194 122.820 0.109 0.000 1.948 251 A HA -0.229 4.089 4.320 -0.003 0.000 0.220 251 A C 2.239 179.989 177.584 0.276 0.000 1.177 251 A CA 2.684 54.843 52.037 0.204 0.000 0.636 251 A CB -1.893 17.227 19.000 0.201 0.000 0.815 251 A HN 0.684 nan 8.150 nan 0.000 0.449 252 S N -0.678 115.111 115.700 0.149 0.000 2.399 252 S HA -0.138 4.330 4.470 -0.003 0.000 0.231 252 S C 1.781 176.423 174.600 0.069 0.000 1.022 252 S CA 1.479 59.730 58.200 0.085 0.000 0.983 252 S CB -0.473 62.751 63.200 0.039 0.000 0.803 252 S HN 0.417 nan 8.310 nan 0.000 0.480 253 L N 1.820 123.088 121.223 0.075 0.000 2.131 253 L HA 0.204 4.542 4.340 -0.003 0.000 0.206 253 L C 2.449 179.374 176.870 0.091 0.000 1.087 253 L CA 1.165 56.035 54.840 0.050 0.000 0.767 253 L CB -0.889 41.182 42.059 0.020 0.000 0.917 253 L HN 0.238 nan 8.230 nan 0.000 0.441 254 V N -0.149 119.864 119.914 0.164 0.000 2.407 254 V HA -0.286 3.832 4.120 -0.003 0.000 0.248 254 V C 2.523 178.842 176.094 0.375 0.000 1.055 254 V CA 1.809 64.251 62.300 0.238 0.000 1.049 254 V CB -0.708 31.263 31.823 0.247 0.000 0.662 254 V HN 0.574 nan 8.190 nan 0.000 0.455 255 E N -0.019 120.404 120.200 0.371 0.000 2.265 255 E HA -0.241 4.107 4.350 -0.003 0.000 0.196 255 E C 2.093 178.667 176.600 -0.044 0.000 0.996 255 E CA 0.978 57.345 56.400 -0.055 0.000 0.832 255 E CB -0.007 29.361 29.700 -0.553 0.000 0.756 255 E HN 0.719 nan 8.360 nan 0.000 0.491 256 Q N -0.380 119.431 119.800 0.018 0.000 2.424 256 Q HA 0.094 4.432 4.340 -0.003 0.000 0.204 256 Q C 0.399 176.412 176.000 0.022 0.000 0.933 256 Q CA 0.050 55.853 55.803 0.001 0.000 0.929 256 Q CB 0.241 28.979 28.738 -0.001 0.000 1.037 256 Q HN 0.333 nan 8.270 nan 0.000 0.511 257 M N 0.855 120.488 119.600 0.054 0.000 2.198 257 M HA 0.162 4.640 4.480 -0.003 0.000 0.315 257 M C 0.262 176.589 176.300 0.044 0.000 1.134 257 M CA 0.051 55.378 55.300 0.045 0.000 1.171 257 M CB 0.584 33.213 32.600 0.049 0.000 1.413 257 M HN -0.034 nan 8.290 nan 0.000 0.467 258 R N 0.284 120.802 120.500 0.030 0.000 2.641 258 R HA 0.180 4.519 4.340 -0.003 0.000 0.269 258 R C -0.285 176.039 176.300 0.040 0.000 1.074 258 R CA -0.086 56.032 56.100 0.029 0.000 1.133 258 R CB 0.219 30.531 30.300 0.020 0.000 1.029 258 R HN 0.567 nan 8.270 nan 0.000 0.488 259 T N 1.225 115.804 114.554 0.042 0.000 2.888 259 T HA 0.226 4.574 4.350 -0.003 0.000 0.301 259 T C 1.213 175.936 174.700 0.039 0.000 1.001 259 T CA 1.073 63.203 62.100 0.051 0.000 1.147 259 T CB 0.968 69.865 68.868 0.049 0.000 0.931 259 T HN 0.863 nan 8.240 nan 0.000 0.541 260 G N 2.897 111.721 108.800 0.040 0.000 2.176 260 G HA2 -0.250 3.708 3.960 -0.003 0.000 0.232 260 G HA3 -0.250 3.708 3.960 -0.003 0.000 0.232 260 G C 0.477 175.391 174.900 0.023 0.000 0.986 260 G CA 0.007 45.127 45.100 0.034 0.000 0.643 260 G HN 0.755 nan 8.290 nan 0.000 0.522 261 S N -0.656 115.052 115.700 0.013 0.000 2.584 261 S HA 0.541 5.009 4.470 -0.003 0.000 0.270 261 S C 0.383 174.963 174.600 -0.033 0.000 1.346 261 S CA 0.406 58.602 58.200 -0.005 0.000 1.018 261 S CB 1.976 65.171 63.200 -0.009 0.000 0.899 261 S HN 1.569 nan 8.310 nan 0.000 0.542 262 V N 3.167 123.054 119.914 -0.045 0.000 2.680 262 V HA 0.711 4.829 4.120 -0.003 0.000 0.309 262 V C -1.129 174.885 176.094 -0.133 0.000 1.052 262 V CA -0.736 61.514 62.300 -0.084 0.000 0.908 262 V CB 1.409 33.228 31.823 -0.007 0.000 1.001 262 V HN 0.787 nan 8.190 nan 0.000 0.431 263 I N 5.521 125.947 120.570 -0.239 0.000 2.465 263 I HA 0.637 4.805 4.170 -0.003 0.000 0.291 263 I C -0.931 175.096 176.117 -0.150 0.000 1.014 263 I CA -0.917 60.240 61.300 -0.237 0.000 1.093 263 I CB 2.187 39.928 38.000 -0.431 0.000 1.267 263 I HN 0.441 nan 8.210 nan 0.000 0.431 264 V N 4.488 124.372 119.914 -0.049 0.000 2.577 264 V HA 0.412 4.530 4.120 -0.003 0.000 0.303 264 V C -1.013 175.105 176.094 0.040 0.000 1.042 264 V CA -0.511 61.821 62.300 0.052 0.000 0.872 264 V CB 2.188 34.074 31.823 0.105 0.000 0.998 264 V HN 0.634 nan 8.190 nan 0.000 0.423 265 D N 3.177 123.607 120.400 0.051 0.000 2.505 265 D HA 0.347 4.985 4.640 -0.003 0.000 0.250 265 D C 0.611 176.945 176.300 0.056 0.000 1.164 265 D CA -0.324 53.697 54.000 0.036 0.000 0.870 265 D CB 2.412 43.218 40.800 0.010 0.000 1.160 265 D HN 0.208 nan 8.370 nan 0.000 0.549 266 V N 3.132 123.085 119.914 0.064 0.000 2.759 266 V HA -0.119 3.999 4.120 -0.003 0.000 0.256 266 V C 2.099 178.218 176.094 0.042 0.000 1.080 266 V CA 1.887 64.230 62.300 0.070 0.000 1.101 266 V CB -0.484 31.381 31.823 0.070 0.000 0.698 266 V HN 0.664 nan 8.190 nan 0.000 0.477 267 A N 0.245 123.082 122.820 0.028 0.000 2.278 267 A HA 0.151 4.469 4.320 -0.003 0.000 0.212 267 A C 2.201 179.787 177.584 0.004 0.000 1.213 267 A CA 0.800 52.846 52.037 0.014 0.000 0.840 267 A CB -0.435 18.573 19.000 0.013 0.000 0.866 267 A HN 0.513 nan 8.150 nan 0.000 0.489 268 V N 0.178 120.094 119.914 0.004 0.000 2.250 268 V HA -0.363 3.756 4.120 -0.003 0.000 0.253 268 V C 1.953 178.039 176.094 -0.013 0.000 1.065 268 V CA 2.618 64.915 62.300 -0.005 0.000 1.039 268 V CB -1.061 30.748 31.823 -0.024 0.000 0.647 268 V HN 0.706 nan 8.190 nan 0.000 0.446 269 D N -1.162 119.221 120.400 -0.029 0.000 2.371 269 D HA -0.160 4.478 4.640 -0.003 0.000 0.221 269 D C 1.982 178.254 176.300 -0.048 0.000 0.986 269 D CA 1.454 55.428 54.000 -0.044 0.000 0.899 269 D CB -0.036 40.724 40.800 -0.066 0.000 0.902 269 D HN 0.703 nan 8.370 nan 0.000 0.530 270 Q N -0.473 119.305 119.800 -0.035 0.000 2.391 270 Q HA 0.307 4.645 4.340 -0.003 0.000 0.243 270 Q C 0.017 176.009 176.000 -0.013 0.000 0.874 270 Q CA 0.535 56.320 55.803 -0.030 0.000 0.950 270 Q CB 1.054 29.776 28.738 -0.027 0.000 1.103 270 Q HN 0.376 nan 8.270 nan 0.000 0.544 271 G N 0.201 108.998 108.800 -0.006 0.000 3.313 271 G HA2 0.092 4.051 3.960 -0.003 0.000 0.659 271 G HA3 0.092 4.051 3.960 -0.003 0.000 0.659 271 G C -0.320 174.583 174.900 0.006 0.000 1.286 271 G CA -0.611 44.491 45.100 0.003 0.000 1.077 271 G HN 0.268 nan 8.290 nan 0.000 0.551 272 G N -0.630 108.176 108.800 0.011 0.000 2.543 272 G HA2 0.594 4.552 3.960 -0.003 0.000 0.290 272 G HA3 0.594 4.552 3.960 -0.003 0.000 0.290 272 G C 1.446 176.350 174.900 0.007 0.000 1.310 272 G CA 0.305 45.411 45.100 0.010 0.000 1.025 272 G HN 2.017 nan 8.290 nan 0.000 0.502 273 C N -1.354 117.947 119.300 0.001 0.000 2.791 273 C HA 0.494 4.953 4.460 -0.003 0.000 0.270 273 C C 0.424 175.409 174.990 -0.008 0.000 1.257 273 C CA -0.823 58.191 59.018 -0.007 0.000 1.699 273 C CB -1.299 26.431 27.740 -0.016 0.000 1.904 273 C HN 0.169 nan 8.230 nan 0.000 0.603 274 V N 2.014 121.929 119.914 0.002 0.000 2.328 274 V HA 0.226 4.344 4.120 -0.003 0.000 0.278 274 V C 1.294 177.408 176.094 0.033 0.000 1.021 274 V CA 0.120 62.426 62.300 0.010 0.000 0.838 274 V CB 1.089 32.913 31.823 0.001 0.000 0.999 274 V HN 0.480 nan 8.190 nan 0.000 0.447 275 E N 3.647 123.869 120.200 0.036 0.000 2.065 275 E HA -0.271 4.077 4.350 -0.003 0.000 0.201 275 E C 1.900 178.534 176.600 0.056 0.000 1.016 275 E CA 2.472 58.897 56.400 0.042 0.000 0.818 275 E CB 0.080 29.805 29.700 0.043 0.000 0.749 275 E HN 0.914 nan 8.360 nan 0.000 0.453 276 T N -0.925 113.673 114.554 0.073 0.000 3.072 276 T HA -0.021 4.328 4.350 -0.003 0.000 0.266 276 T C 0.670 175.441 174.700 0.119 0.000 1.127 276 T CA -0.042 62.095 62.100 0.063 0.000 1.107 276 T CB 0.032 68.920 68.868 0.032 0.000 0.910 276 T HN -0.005 nan 8.240 nan 0.000 0.513 277 L N 3.419 124.735 121.223 0.155 0.000 2.290 277 L HA 0.445 4.783 4.340 -0.003 0.000 0.284 277 L C -0.213 176.720 176.870 0.106 0.000 1.078 277 L CA -0.498 54.433 54.840 0.150 0.000 0.815 277 L CB 0.452 42.569 42.059 0.096 0.000 1.162 277 L HN 0.514 nan 8.230 nan 0.000 0.435 278 H N 2.837 122.003 119.070 0.160 0.000 2.907 278 H HA 0.771 5.325 4.556 -0.002 0.000 0.361 278 H C -2.809 172.534 175.328 0.024 0.000 1.194 278 H CA -2.743 53.323 56.048 0.029 0.000 1.152 278 H CB 0.389 30.107 29.762 -0.074 0.000 1.867 278 H HN 0.309 nan 8.280 nan 0.000 0.561 279 P HA 0.195 nan 4.420 nan 0.000 0.272 279 P C -0.397 176.957 177.300 0.090 0.000 1.223 279 P CA -0.013 63.114 63.100 0.045 0.000 0.784 279 P CB 0.842 32.548 31.700 0.010 0.000 0.923 280 T N -2.201 112.319 114.554 -0.056 0.000 2.864 280 T HA 0.693 5.041 4.350 -0.003 0.000 0.289 280 T C -0.252 174.371 174.700 -0.129 0.000 1.082 280 T CA -0.768 61.295 62.100 -0.061 0.000 1.009 280 T CB 1.018 69.823 68.868 -0.104 0.000 1.234 280 T HN 0.342 nan 8.240 nan 0.000 0.526 281 S N -0.968 114.678 115.700 -0.090 0.000 2.690 281 S HA 0.403 4.871 4.470 -0.003 0.000 0.291 281 S C 0.592 175.132 174.600 -0.100 0.000 1.138 281 S CA -0.609 57.555 58.200 -0.060 0.000 1.013 281 S CB 0.632 63.844 63.200 0.020 0.000 1.053 281 S HN 0.789 nan 8.310 nan 0.000 0.539 282 H N 0.719 119.781 119.070 -0.014 0.000 2.457 282 H HA -0.039 4.515 4.556 -0.003 0.000 0.297 282 H C 2.389 177.740 175.328 0.037 0.000 1.092 282 H CA 2.288 58.346 56.048 0.018 0.000 1.309 282 H CB -0.283 29.507 29.762 0.047 0.000 1.382 282 H HN 0.869 nan 8.280 nan 0.000 0.535 283 T N -2.379 112.261 114.554 0.143 0.000 3.023 283 T HA -0.019 4.329 4.350 -0.003 0.000 0.266 283 T C 0.927 175.669 174.700 0.070 0.000 1.093 283 T CA 0.502 62.662 62.100 0.100 0.000 1.129 283 T CB 0.341 69.255 68.868 0.076 0.000 0.899 283 T HN 0.229 nan 8.240 nan 0.000 0.491 284 Q N 0.975 120.800 119.800 0.042 0.000 3.662 284 Q HA 0.219 4.557 4.340 -0.003 0.000 0.237 284 Q C -2.369 173.620 176.000 -0.019 0.000 0.895 284 Q CA -1.400 54.420 55.803 0.029 0.000 0.767 284 Q CB 2.258 31.014 28.738 0.028 0.000 1.469 284 Q HN 0.320 nan 8.270 nan 0.000 0.424 285 P HA -0.107 nan 4.420 nan 0.000 0.223 285 P C 0.602 177.738 177.300 -0.273 0.000 1.151 285 P CA 1.176 64.158 63.100 -0.196 0.000 0.787 285 P CB 0.423 32.082 31.700 -0.068 0.000 0.788 286 T N -2.475 111.974 114.554 -0.176 0.000 2.907 286 T HA 0.630 4.979 4.350 -0.003 0.000 0.290 286 T C -0.997 173.674 174.700 -0.049 0.000 1.066 286 T CA -0.777 61.178 62.100 -0.240 0.000 1.012 286 T CB 1.951 70.578 68.868 -0.402 0.000 1.184 286 T HN 0.167 nan 8.240 nan 0.000 0.522 287 Y N -1.948 118.276 120.300 -0.128 0.000 2.656 287 Y HA 0.790 5.339 4.550 -0.002 0.000 0.334 287 Y C -1.128 174.721 175.900 -0.085 0.000 1.179 287 Y CA -1.268 56.767 58.100 -0.109 0.000 1.050 287 Y CB 0.974 39.347 38.460 -0.145 0.000 1.308 287 Y HN 0.758 nan 8.280 nan 0.000 0.456 288 E N 1.152 121.375 120.200 0.038 0.000 2.202 288 E HA 0.731 5.079 4.350 -0.003 0.000 0.272 288 E C -1.539 175.034 176.600 -0.044 0.000 0.951 288 E CA -1.348 55.051 56.400 -0.002 0.000 0.813 288 E CB 2.841 32.565 29.700 0.040 0.000 1.151 288 E HN 0.499 nan 8.360 nan 0.000 0.398 289 V N 3.670 123.510 119.914 -0.123 0.000 2.577 289 V HA 0.142 4.260 4.120 -0.003 0.000 0.294 289 V C -0.900 175.073 176.094 -0.202 0.000 1.052 289 V CA -0.675 61.427 62.300 -0.329 0.000 0.891 289 V CB 0.676 32.101 31.823 -0.664 0.000 1.017 289 V HN 0.764 nan 8.190 nan 0.000 0.436 290 F N 2.748 122.730 119.950 0.053 0.000 2.926 290 F HA -0.197 4.328 4.527 -0.003 0.000 0.288 290 F C 1.562 177.390 175.800 0.047 0.000 0.756 290 F CA 1.455 59.483 58.000 0.048 0.000 1.292 290 F CB -1.870 37.162 39.000 0.053 0.000 1.482 290 F HN 1.156 nan 8.300 nan 0.000 0.400 291 G N -1.312 107.605 108.800 0.197 0.000 2.159 291 G HA2 -0.144 3.815 3.960 -0.003 0.000 0.256 291 G HA3 -0.144 3.815 3.960 -0.003 0.000 0.256 291 G C -0.051 174.911 174.900 0.104 0.000 0.977 291 G CA 0.023 45.198 45.100 0.125 0.000 0.652 291 G HN 0.796 nan 8.290 nan 0.000 0.531 292 V N 1.495 121.486 119.914 0.127 0.000 2.370 292 V HA 0.504 4.622 4.120 -0.003 0.000 0.279 292 V C 0.935 177.074 176.094 0.074 0.000 1.029 292 V CA -0.770 61.577 62.300 0.078 0.000 0.870 292 V CB 1.759 33.631 31.823 0.083 0.000 0.984 292 V HN 0.269 nan 8.190 nan 0.000 0.451 293 V N 5.481 125.380 119.914 -0.025 0.000 2.521 293 V HA 0.197 4.315 4.120 -0.003 0.000 0.286 293 V C -0.174 175.772 176.094 -0.248 0.000 1.034 293 V CA -0.213 62.040 62.300 -0.079 0.000 1.045 293 V CB 0.212 31.994 31.823 -0.069 0.000 0.974 293 V HN 0.840 nan 8.190 nan 0.000 0.480 294 H N 3.510 122.251 119.070 -0.549 0.000 2.481 294 H HA 0.476 5.031 4.556 -0.002 0.000 0.333 294 H C -0.920 174.037 175.328 -0.619 0.000 1.066 294 H CA -0.571 55.067 56.048 -0.683 0.000 1.209 294 H CB 1.073 30.051 29.762 -1.306 0.000 1.445 294 H HN 0.655 nan 8.280 nan 0.000 0.488 295 Y N 1.876 121.901 120.300 -0.458 0.000 2.328 295 Y HA 0.491 5.040 4.550 -0.002 0.000 0.337 295 Y C 0.478 176.213 175.900 -0.275 0.000 0.966 295 Y CA -0.645 57.187 58.100 -0.447 0.000 1.136 295 Y CB 1.230 39.412 38.460 -0.464 0.000 1.170 295 Y HN 0.801 nan 8.280 nan 0.000 0.470 296 G N 4.976 113.358 108.800 -0.697 0.000 4.110 296 G HA2 0.260 4.218 3.960 -0.003 0.000 0.292 296 G HA3 0.260 4.218 3.960 -0.003 0.000 0.292 296 G C -1.098 173.487 174.900 -0.525 0.000 1.020 296 G CA -0.194 44.640 45.100 -0.443 0.000 0.808 296 G HN 0.481 nan 8.290 nan 0.000 0.474 297 V N 1.967 121.294 119.914 -0.978 0.000 2.555 297 V HA 0.273 4.391 4.120 -0.003 0.000 0.286 297 V C -1.781 174.104 176.094 -0.349 0.000 1.044 297 V CA -1.069 60.827 62.300 -0.674 0.000 1.026 297 V CB 1.337 32.660 31.823 -0.834 0.000 0.981 297 V HN 0.112 nan 8.190 nan 0.000 0.480 298 P HA 0.272 nan 4.420 nan 0.000 0.284 298 P C 0.077 177.390 177.300 0.022 0.000 1.287 298 P CA -0.887 62.178 63.100 -0.059 0.000 0.824 298 P CB 0.314 31.983 31.700 -0.052 0.000 1.180 299 N N 0.025 118.758 118.700 0.054 0.000 2.681 299 N HA -0.188 4.551 4.740 -0.003 0.000 0.259 299 N C 0.530 176.149 175.510 0.181 0.000 1.066 299 N CA -0.108 53.000 53.050 0.097 0.000 0.717 299 N CB -0.532 38.012 38.487 0.096 0.000 0.885 299 N HN 0.321 nan 8.380 nan 0.000 0.547 300 M N 0.195 119.930 119.600 0.225 0.000 2.149 300 M HA -0.131 4.348 4.480 -0.003 0.000 0.261 300 M C -0.924 175.566 176.300 0.316 0.000 1.064 300 M CA 1.605 57.131 55.300 0.377 0.000 1.102 300 M CB -0.918 31.971 32.600 0.481 0.000 1.369 300 M HN 0.253 nan 8.290 nan 0.000 0.408 301 P HA -0.095 nan 4.420 nan 0.000 0.223 301 P C 1.265 178.687 177.300 0.203 0.000 1.144 301 P CA 1.525 64.729 63.100 0.173 0.000 0.783 301 P CB -0.431 31.349 31.700 0.132 0.000 0.771 302 G N 0.012 108.953 108.800 0.235 0.000 2.559 302 G HA2 -0.165 3.793 3.960 -0.003 0.000 0.216 302 G HA3 -0.165 3.793 3.960 -0.003 0.000 0.216 302 G C 1.488 176.573 174.900 0.308 0.000 1.126 302 G CA 0.648 45.911 45.100 0.271 0.000 0.778 302 G HN 0.327 nan 8.290 nan 0.000 0.543 303 A N 0.101 123.103 122.820 0.302 0.000 2.066 303 A HA 0.293 4.612 4.320 -0.003 0.000 0.218 303 A C 1.448 179.142 177.584 0.184 0.000 1.157 303 A CA 1.365 53.569 52.037 0.279 0.000 0.670 303 A CB -0.076 19.162 19.000 0.396 0.000 0.804 303 A HN 0.892 nan 8.150 nan 0.000 0.453 304 V N -3.741 116.279 119.914 0.177 0.000 2.361 304 V HA 0.324 4.443 4.120 -0.003 0.000 0.252 304 V C -2.003 174.195 176.094 0.173 0.000 0.986 304 V CA -1.260 61.130 62.300 0.151 0.000 1.033 304 V CB 0.792 32.693 31.823 0.131 0.000 1.282 304 V HN 0.135 nan 8.190 nan 0.000 0.514 305 P HA -0.155 nan 4.420 nan 0.000 0.218 305 P C 1.444 178.845 177.300 0.170 0.000 1.148 305 P CA 1.428 64.644 63.100 0.193 0.000 0.822 305 P CB 0.294 32.132 31.700 0.230 0.000 0.784 306 W N 1.374 122.662 121.300 -0.020 0.000 2.354 306 W HA -0.141 4.515 4.660 -0.005 0.000 0.315 306 W C 2.253 178.802 176.519 0.050 0.000 1.206 306 W CA 2.607 59.908 57.345 -0.074 0.000 1.290 306 W CB -1.148 28.221 29.460 -0.150 0.000 1.152 306 W HN -0.142 nan 8.180 nan 0.000 0.489 307 T N 0.609 115.287 114.554 0.206 0.000 2.708 307 T HA -0.184 4.164 4.350 -0.003 0.000 0.266 307 T C 1.933 176.610 174.700 -0.039 0.000 1.037 307 T CA 2.072 64.192 62.100 0.032 0.000 1.146 307 T CB -1.001 67.981 68.868 0.190 0.000 0.865 307 T HN 0.251 nan 8.240 nan 0.000 0.435 308 A N 1.288 124.137 122.820 0.047 0.000 1.902 308 A HA -0.135 4.183 4.320 -0.003 0.000 0.217 308 A C 2.553 180.157 177.584 0.034 0.000 1.181 308 A CA 2.109 54.180 52.037 0.057 0.000 0.623 308 A CB -1.279 17.788 19.000 0.111 0.000 0.818 308 A HN 0.472 nan 8.150 nan 0.000 0.443 309 T N 0.144 114.724 114.554 0.045 0.000 2.708 309 T HA -0.190 4.158 4.350 -0.003 0.000 0.266 309 T C 2.081 176.760 174.700 -0.035 0.000 1.037 309 T CA 1.817 63.952 62.100 0.058 0.000 1.146 309 T CB -0.282 68.706 68.868 0.199 0.000 0.865 309 T HN 0.645 nan 8.240 nan 0.000 0.435 310 Q N 0.558 120.285 119.800 -0.120 0.000 2.079 310 Q HA 0.027 4.365 4.340 -0.003 0.000 0.200 310 Q C 2.774 178.699 176.000 -0.126 0.000 0.974 310 Q CA 1.298 56.996 55.803 -0.175 0.000 0.840 310 Q CB -0.329 28.217 28.738 -0.319 0.000 0.898 310 Q HN 0.543 nan 8.270 nan 0.000 0.430 311 A N 1.032 123.793 122.820 -0.099 0.000 1.908 311 A HA -0.197 4.122 4.320 -0.003 0.000 0.218 311 A C 2.065 179.610 177.584 -0.065 0.000 1.181 311 A CA 1.313 53.313 52.037 -0.062 0.000 0.627 311 A CB -0.614 18.371 19.000 -0.025 0.000 0.818 311 A HN 0.348 nan 8.150 nan 0.000 0.445 312 L N 0.252 121.433 121.223 -0.071 0.000 2.005 312 L HA -0.123 4.215 4.340 -0.003 0.000 0.207 312 L C 1.815 178.578 176.870 -0.179 0.000 1.072 312 L CA 2.478 57.241 54.840 -0.128 0.000 0.744 312 L CB -0.850 41.137 42.059 -0.120 0.000 0.895 312 L HN 0.347 nan 8.230 nan 0.000 0.433 313 N N 0.244 118.859 118.700 -0.143 0.000 2.205 313 N HA -0.188 4.551 4.740 -0.003 0.000 0.186 313 N C 1.542 176.989 175.510 -0.106 0.000 1.015 313 N CA 1.335 54.306 53.050 -0.132 0.000 0.862 313 N CB -0.450 37.967 38.487 -0.116 0.000 0.986 313 N HN 0.396 nan 8.380 nan 0.000 0.429 314 N N -0.499 118.144 118.700 -0.094 0.000 2.289 314 N HA -0.021 4.717 4.740 -0.003 0.000 0.184 314 N C 1.304 176.780 175.510 -0.057 0.000 1.016 314 N CA 0.768 53.775 53.050 -0.071 0.000 0.872 314 N CB -0.140 38.310 38.487 -0.062 0.000 0.973 314 N HN 0.145 nan 8.380 nan 0.000 0.433 315 S N -0.906 114.756 115.700 -0.064 0.000 2.441 315 S HA -0.018 4.450 4.470 -0.003 0.000 0.224 315 S C 2.006 176.620 174.600 0.023 0.000 1.043 315 S CA 1.029 59.215 58.200 -0.024 0.000 0.948 315 S CB -0.049 63.133 63.200 -0.029 0.000 0.810 315 S HN 0.619 nan 8.310 nan 0.000 0.504 316 T N 0.998 115.501 114.554 -0.085 0.000 2.985 316 T HA 0.164 4.513 4.350 -0.003 0.000 0.266 316 T C 1.770 176.532 174.700 0.103 0.000 1.076 316 T CA 0.207 62.284 62.100 -0.037 0.000 1.135 316 T CB -0.510 68.137 68.868 -0.369 0.000 0.890 316 T HN 0.150 nan 8.240 nan 0.000 0.480 317 L N 2.024 123.249 121.223 0.003 0.000 1.991 317 L HA -0.098 4.240 4.340 -0.003 0.000 0.221 317 L C -0.401 176.466 176.870 -0.004 0.000 1.079 317 L CA 2.644 57.485 54.840 0.000 0.000 0.778 317 L CB -1.434 40.602 42.059 -0.038 0.000 0.893 317 L HN 0.254 nan 8.230 nan 0.000 0.437 318 P HA -0.196 nan 4.420 nan 0.000 0.219 318 P C 1.156 178.312 177.300 -0.239 0.000 1.146 318 P CA 1.674 64.650 63.100 -0.206 0.000 0.808 318 P CB -0.194 31.305 31.700 -0.335 0.000 0.779 319 Y N -0.527 119.823 120.300 0.083 0.000 2.286 319 Y HA -0.088 4.460 4.550 -0.004 0.000 0.293 319 Y C 2.618 178.592 175.900 0.124 0.000 1.124 319 Y CA 0.594 58.770 58.100 0.127 0.000 1.178 319 Y CB -1.488 37.143 38.460 0.285 0.000 1.010 319 Y HN -0.270 nan 8.280 nan 0.000 0.536 320 V N -0.999 119.114 119.914 0.332 0.000 2.343 320 V HA -0.259 3.859 4.120 -0.003 0.000 0.247 320 V C 2.223 178.344 176.094 0.045 0.000 1.051 320 V CA 1.619 64.051 62.300 0.220 0.000 1.036 320 V CB -0.900 31.031 31.823 0.180 0.000 0.654 320 V HN 0.224 nan 8.190 nan 0.000 0.451 321 V N -0.534 119.393 119.914 0.022 0.000 2.343 321 V HA -0.268 3.850 4.120 -0.003 0.000 0.247 321 V C 2.457 178.539 176.094 -0.019 0.000 1.051 321 V CA 1.987 64.278 62.300 -0.015 0.000 1.036 321 V CB -0.649 31.181 31.823 0.012 0.000 0.654 321 V HN 0.503 nan 8.190 nan 0.000 0.451 322 K N -0.321 120.074 120.400 -0.008 0.000 2.009 322 K HA -0.144 4.174 4.320 -0.003 0.000 0.210 322 K C 2.150 178.738 176.600 -0.020 0.000 1.049 322 K CA 1.534 57.818 56.287 -0.005 0.000 0.929 322 K CB -0.319 32.187 32.500 0.009 0.000 0.714 322 K HN 0.351 nan 8.250 nan 0.000 0.440 323 L N 0.249 121.448 121.223 -0.039 0.000 2.042 323 L HA -0.214 4.124 4.340 -0.003 0.000 0.210 323 L C 2.562 179.372 176.870 -0.100 0.000 1.076 323 L CA 1.276 56.066 54.840 -0.084 0.000 0.749 323 L CB -0.570 41.406 42.059 -0.139 0.000 0.893 323 L HN 0.244 nan 8.230 nan 0.000 0.432 324 A N 0.079 122.797 122.820 -0.170 0.000 1.933 324 A HA -0.202 4.116 4.320 -0.003 0.000 0.218 324 A C 2.023 179.523 177.584 -0.141 0.000 1.175 324 A CA 1.935 53.761 52.037 -0.352 0.000 0.628 324 A CB -0.474 17.996 19.000 -0.885 0.000 0.814 324 A HN 0.442 nan 8.150 nan 0.000 0.444 325 N N 0.092 118.791 118.700 -0.001 0.000 2.124 325 N HA -0.093 4.645 4.740 -0.003 0.000 0.188 325 N C 1.687 177.236 175.510 0.066 0.000 1.045 325 N CA 1.649 54.781 53.050 0.137 0.000 0.846 325 N CB -0.579 37.980 38.487 0.119 0.000 1.020 325 N HN 0.675 nan 8.380 nan 0.000 0.432 326 Q N 0.514 120.329 119.800 0.024 0.000 2.403 326 Q HA 0.265 4.603 4.340 -0.003 0.000 0.203 326 Q C 1.063 177.060 176.000 -0.005 0.000 0.932 326 Q CA 0.220 56.029 55.803 0.011 0.000 0.945 326 Q CB 0.318 29.059 28.738 0.005 0.000 1.045 326 Q HN 0.324 nan 8.270 nan 0.000 0.511 327 G N 2.087 110.877 108.800 -0.017 0.000 2.627 327 G HA2 -0.386 3.573 3.960 -0.003 0.000 0.312 327 G HA3 -0.386 3.573 3.960 -0.003 0.000 0.312 327 G C 0.540 175.415 174.900 -0.041 0.000 1.299 327 G CA 0.413 45.494 45.100 -0.032 0.000 0.989 327 G HN 0.317 nan 8.290 nan 0.000 0.547 328 L N 0.444 121.645 121.223 -0.037 0.000 2.261 328 L HA -0.006 4.332 4.340 -0.003 0.000 0.216 328 L C 2.769 179.621 176.870 -0.029 0.000 1.114 328 L CA 2.277 57.093 54.840 -0.040 0.000 0.777 328 L CB -0.241 41.798 42.059 -0.034 0.000 0.910 328 L HN 0.580 nan 8.230 nan 0.000 0.440 329 K N -0.659 119.730 120.400 -0.019 0.000 2.283 329 K HA -0.060 4.259 4.320 -0.003 0.000 0.202 329 K C 2.115 178.708 176.600 -0.010 0.000 1.048 329 K CA 0.972 57.252 56.287 -0.011 0.000 0.948 329 K CB -0.303 32.194 32.500 -0.005 0.000 0.742 329 K HN 0.297 nan 8.250 nan 0.000 0.458 330 A N 1.024 123.835 122.820 -0.015 0.000 2.076 330 A HA -0.144 4.175 4.320 -0.003 0.000 0.220 330 A C 1.886 179.467 177.584 -0.005 0.000 1.160 330 A CA 1.257 53.289 52.037 -0.008 0.000 0.653 330 A CB -0.670 18.321 19.000 -0.015 0.000 0.801 330 A HN 0.224 nan 8.150 nan 0.000 0.455 331 L N -1.466 119.745 121.223 -0.020 0.000 2.465 331 L HA -0.037 4.301 4.340 -0.003 0.000 0.224 331 L C 2.045 178.913 176.870 -0.004 0.000 1.145 331 L CA 1.030 55.859 54.840 -0.018 0.000 0.834 331 L CB -0.243 41.797 42.059 -0.033 0.000 0.944 331 L HN 0.368 nan 8.230 nan 0.000 0.451 332 E N -0.946 119.252 120.200 -0.002 0.000 2.476 332 E HA -0.033 4.315 4.350 -0.003 0.000 0.199 332 E C 1.702 178.306 176.600 0.007 0.000 1.021 332 E CA 0.710 57.111 56.400 0.001 0.000 0.907 332 E CB 0.442 30.141 29.700 -0.001 0.000 0.974 332 E HN 0.475 nan 8.360 nan 0.000 0.489 333 T N -2.470 112.090 114.554 0.010 0.000 3.023 333 T HA 0.062 4.410 4.350 -0.003 0.000 0.249 333 T C 0.655 175.370 174.700 0.025 0.000 1.050 333 T CA -0.163 61.945 62.100 0.014 0.000 1.088 333 T CB 0.430 69.305 68.868 0.011 0.000 0.946 333 T HN -0.161 nan 8.240 nan 0.000 0.480 334 D N 0.975 121.396 120.400 0.035 0.000 2.440 334 D HA 0.286 4.924 4.640 -0.003 0.000 0.239 334 D C -0.526 175.806 176.300 0.053 0.000 1.084 334 D CA -0.194 53.844 54.000 0.063 0.000 0.843 334 D CB 1.975 42.842 40.800 0.112 0.000 1.097 334 D HN 0.024 nan 8.370 nan 0.000 0.531 335 D N 2.120 122.552 120.400 0.052 0.000 2.144 335 D HA -0.097 4.541 4.640 -0.003 0.000 0.200 335 D C 1.974 178.300 176.300 0.045 0.000 0.978 335 D CA 1.040 55.064 54.000 0.040 0.000 0.833 335 D CB 0.348 41.169 40.800 0.035 0.000 0.961 335 D HN 0.478 nan 8.370 nan 0.000 0.470 336 A N 0.478 123.339 122.820 0.068 0.000 1.877 336 A HA -0.129 4.189 4.320 -0.003 0.000 0.216 336 A C 2.142 179.723 177.584 -0.006 0.000 1.186 336 A CA 0.871 52.937 52.037 0.048 0.000 0.620 336 A CB -0.783 18.274 19.000 0.095 0.000 0.822 336 A HN 0.203 nan 8.150 nan 0.000 0.443 337 L N -0.843 120.382 121.223 0.003 0.000 2.046 337 L HA -0.218 4.121 4.340 -0.003 0.000 0.208 337 L C 3.127 179.975 176.870 -0.036 0.000 1.077 337 L CA 1.219 56.023 54.840 -0.059 0.000 0.747 337 L CB -0.594 41.460 42.059 -0.007 0.000 0.896 337 L HN 0.482 nan 8.230 nan 0.000 0.432 338 A N -0.169 122.649 122.820 -0.004 0.000 1.917 338 A HA -0.242 4.076 4.320 -0.003 0.000 0.219 338 A C 2.216 179.816 177.584 0.027 0.000 1.182 338 A CA 1.680 53.719 52.037 0.003 0.000 0.633 338 A CB -0.368 18.637 19.000 0.008 0.000 0.819 338 A HN 0.322 nan 8.150 nan 0.000 0.448 339 K N -0.915 119.510 120.400 0.042 0.000 2.288 339 K HA -0.062 4.256 4.320 -0.003 0.000 0.201 339 K C 1.908 178.602 176.600 0.157 0.000 1.048 339 K CA 0.915 57.263 56.287 0.102 0.000 0.956 339 K CB -0.297 32.256 32.500 0.088 0.000 0.746 339 K HN 0.501 nan 8.250 nan 0.000 0.461 340 G N 1.275 110.109 108.800 0.056 0.000 2.551 340 G HA2 -0.095 3.863 3.960 -0.003 0.000 0.216 340 G HA3 -0.095 3.863 3.960 -0.003 0.000 0.216 340 G C 0.518 175.433 174.900 0.025 0.000 1.137 340 G CA -0.272 44.841 45.100 0.023 0.000 0.798 340 G HN 0.120 nan 8.290 nan 0.000 0.536 341 L N 1.411 122.662 121.223 0.047 0.000 2.513 341 L HA 0.240 4.578 4.340 -0.003 0.000 0.272 341 L C 0.737 177.677 176.870 0.117 0.000 1.187 341 L CA 0.171 55.035 54.840 0.040 0.000 0.895 341 L CB 0.679 42.751 42.059 0.021 0.000 1.147 341 L HN -0.068 nan 8.230 nan 0.000 0.483 342 N N 2.727 121.462 118.700 0.059 0.000 2.606 342 N HA 0.240 4.978 4.740 -0.003 0.000 0.208 342 N C -0.929 174.627 175.510 0.076 0.000 1.046 342 N CA 0.334 53.435 53.050 0.086 0.000 0.891 342 N CB 0.609 39.101 38.487 0.009 0.000 1.344 342 N HN 0.357 nan 8.380 nan 0.000 0.437 343 V N 0.721 120.652 119.914 0.029 0.000 2.789 343 V HA 0.521 4.639 4.120 -0.003 0.000 0.311 343 V C -0.936 175.147 176.094 -0.020 0.000 1.073 343 V CA -0.733 61.574 62.300 0.011 0.000 0.921 343 V CB 2.449 34.269 31.823 -0.006 0.000 1.009 343 V HN 0.065 nan 8.190 nan 0.000 0.426 344 Q N 2.284 122.068 119.800 -0.026 0.000 2.352 344 Q HA 0.561 4.900 4.340 -0.003 0.000 0.270 344 Q C -0.018 175.947 176.000 -0.058 0.000 1.006 344 Q CA -0.006 55.767 55.803 -0.050 0.000 0.880 344 Q CB 2.077 30.797 28.738 -0.030 0.000 1.392 344 Q HN 1.577 nan 8.270 nan 0.000 0.401 345 A N 3.057 125.805 122.820 -0.120 0.000 2.783 345 A HA -0.277 4.041 4.320 -0.003 0.000 0.292 345 A C 0.024 177.592 177.584 -0.027 0.000 1.495 345 A CA 2.132 54.103 52.037 -0.110 0.000 0.787 345 A CB -2.414 16.591 19.000 0.009 0.000 1.017 345 A HN 1.266 nan 8.150 nan 0.000 0.516 346 H N -3.722 115.340 119.070 -0.013 0.000 3.863 346 H HA -0.170 4.384 4.556 -0.003 0.000 0.160 346 H C 0.574 175.898 175.328 -0.007 0.000 0.870 346 H CA 1.673 57.712 56.048 -0.015 0.000 1.247 346 H CB -1.026 28.726 29.762 -0.016 0.000 0.921 346 H HN 0.907 nan 8.280 nan 0.000 0.421 347 R N 0.694 121.243 120.500 0.081 0.000 2.540 347 R HA 0.486 4.825 4.340 -0.003 0.000 0.287 347 R C -0.511 175.818 176.300 0.048 0.000 0.980 347 R CA -1.133 55.003 56.100 0.061 0.000 0.966 347 R CB 1.540 31.869 30.300 0.048 0.000 1.106 347 R HN 0.010 nan 8.270 nan 0.000 0.480 348 L N 3.697 124.956 121.223 0.060 0.000 2.282 348 L HA 0.149 4.488 4.340 -0.003 0.000 0.287 348 L C 0.253 177.166 176.870 0.071 0.000 1.075 348 L CA 0.218 55.105 54.840 0.078 0.000 0.839 348 L CB 1.330 43.457 42.059 0.112 0.000 1.219 348 L HN 0.587 nan 8.230 nan 0.000 0.434 349 V N 2.814 122.769 119.914 0.068 0.000 3.052 349 V HA 0.018 4.137 4.120 -0.003 0.000 0.254 349 V C 0.752 176.871 176.094 0.041 0.000 1.100 349 V CA 0.185 62.513 62.300 0.046 0.000 1.112 349 V CB -1.218 30.627 31.823 0.036 0.000 0.738 349 V HN 0.793 nan 8.190 nan 0.000 0.469 350 H N 3.009 122.091 119.070 0.019 0.000 2.944 350 H HA 0.173 4.727 4.556 -0.003 0.000 0.278 350 H C -1.222 174.112 175.328 0.009 0.000 1.083 350 H CA -1.676 54.380 56.048 0.013 0.000 1.479 350 H CB 1.299 31.069 29.762 0.014 0.000 1.486 350 H HN 0.035 nan 8.280 nan 0.000 0.493 351 P HA -0.273 nan 4.420 nan 0.000 0.217 351 P C 0.950 178.220 177.300 -0.049 0.000 1.151 351 P CA 1.941 64.935 63.100 -0.177 0.000 0.849 351 P CB 0.174 31.728 31.700 -0.244 0.000 0.787 352 A N -0.731 122.126 122.820 0.061 0.000 2.016 352 A HA -0.026 4.292 4.320 -0.003 0.000 0.217 352 A C 2.279 179.895 177.584 0.053 0.000 1.162 352 A CA 1.300 53.403 52.037 0.109 0.000 0.662 352 A CB -1.252 17.866 19.000 0.197 0.000 0.812 352 A HN 0.108 nan 8.150 nan 0.000 0.450 353 V N -0.518 119.462 119.914 0.109 0.000 2.649 353 V HA -0.202 3.917 4.120 -0.003 0.000 0.248 353 V C 2.400 178.466 176.094 -0.048 0.000 1.054 353 V CA 1.601 63.892 62.300 -0.015 0.000 1.073 353 V CB -0.914 30.966 31.823 0.095 0.000 0.699 353 V HN 0.565 nan 8.190 nan 0.000 0.463 354 Q N -0.002 119.818 119.800 0.033 0.000 2.020 354 Q HA -0.258 4.080 4.340 -0.003 0.000 0.202 354 Q C 2.415 178.414 176.000 -0.002 0.000 0.982 354 Q CA 1.782 57.613 55.803 0.047 0.000 0.838 354 Q CB -0.272 28.486 28.738 0.034 0.000 0.899 354 Q HN 0.588 nan 8.270 nan 0.000 0.423 355 Q N -0.107 119.674 119.800 -0.030 0.000 2.325 355 Q HA -0.192 4.146 4.340 -0.003 0.000 0.211 355 Q C 1.885 177.828 176.000 -0.095 0.000 0.988 355 Q CA 1.405 57.181 55.803 -0.045 0.000 0.887 355 Q CB 0.135 28.849 28.738 -0.041 0.000 0.915 355 Q HN 0.287 nan 8.270 nan 0.000 0.440 356 V N -1.374 118.409 119.914 -0.219 0.000 2.685 356 V HA -0.051 4.067 4.120 -0.003 0.000 0.244 356 V C 0.512 176.389 176.094 -0.363 0.000 1.054 356 V CA 0.896 62.942 62.300 -0.424 0.000 1.076 356 V CB 0.006 31.338 31.823 -0.818 0.000 0.725 356 V HN 0.127 nan 8.190 nan 0.000 0.467 357 F N 1.171 121.138 119.950 0.029 0.000 2.627 357 F HA 0.433 4.959 4.527 -0.003 0.000 0.329 357 F C -1.587 174.225 175.800 0.021 0.000 1.378 357 F CA -3.453 54.562 58.000 0.024 0.000 1.134 357 F CB -0.011 39.004 39.000 0.026 0.000 1.229 357 F HN 0.105 nan 8.300 nan 0.000 0.537 358 P HA -0.207 nan 4.420 nan 0.000 0.219 358 P C 0.885 178.237 177.300 0.087 0.000 1.144 358 P CA 1.684 64.837 63.100 0.088 0.000 0.806 358 P CB 0.165 31.898 31.700 0.056 0.000 0.771 359 D N -2.091 118.372 120.400 0.104 0.000 2.349 359 D HA 0.007 4.645 4.640 -0.003 0.000 0.214 359 D C 1.444 177.784 176.300 0.067 0.000 1.063 359 D CA -0.084 53.958 54.000 0.070 0.000 0.847 359 D CB -0.369 40.466 40.800 0.058 0.000 0.933 359 D HN 0.098 nan 8.370 nan 0.000 0.513 360 L N 0.671 121.958 121.223 0.107 0.000 2.513 360 L HA 0.389 4.727 4.340 -0.003 0.000 0.222 360 L C 1.154 178.073 176.870 0.082 0.000 1.096 360 L CA -0.078 54.815 54.840 0.088 0.000 0.857 360 L CB -0.230 41.911 42.059 0.136 0.000 1.026 360 L HN 0.025 nan 8.230 nan 0.000 0.469 361 A N 0.000 122.871 122.820 0.085 0.000 2.254 361 A HA 0.000 4.318 4.320 -0.003 0.000 0.244 361 A CA 0.000 52.075 52.037 0.063 0.000 0.836 361 A CB 0.000 19.034 19.000 0.056 0.000 0.831 361 A HN 0.000 nan 8.150 nan 0.000 0.486