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 1zzg_1_A DATA FIRST_RESID 1 DATA SEQUENCE MLRLDTRFLP GFPEALSRHG PLLEEARRRL LAKRGEPGSM LGWMDLPEDT DATA SEQUENCE ETLREVRRYR EANPWVEDFV LIGIGGSALG PKALEAAFNE SGVRFHYLDH DATA SEQUENCE VEPEPILRLL RTLDPRKTLV NAVSKSGSTA ETLAGLAVFL KWLKAHLGED DATA SEQUENCE WRRHLVVTTD PKEGPLRAFA EREGLKAFAI PKEVGGRFSA LSPVGLLPLA DATA SEQUENCE FAGADLDALL MGARKANETA LAPLEESLPL KTALLLHLHR HLPVHVFMVY DATA SEQUENCE SERLSHLPSW FVQLHDESLG KVDRQGQRVG TTAVPALGPK DQHAQVQLFR DATA SEQUENCE EGPLDKLLAL VIPEAPLEDV EIPEVEGLEA ASYLFGKTLF QLLKAEAEAT DATA SEQUENCE YEALAEAGQR VYALFLPEVS PYAVGWLMQH LMWQTAFLGE LWEVNAFDQP DATA SEQUENCE GVELGKVLTR KRLAG 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 0.000 175.892 176.300 -0.679 0.000 1.140 1 M CA 0.000 54.977 55.300 -0.539 0.000 0.988 1 M CB 0.000 32.551 32.600 -0.082 0.000 1.302 2 L N 4.120 124.608 121.223 -1.224 0.000 2.426 2 L HA 0.565 4.905 4.340 -0.000 0.000 0.271 2 L C -0.374 176.313 176.870 -0.304 0.000 1.169 2 L CA 0.799 55.201 54.840 -0.729 0.000 0.836 2 L CB 0.783 42.299 42.059 -0.905 0.000 1.112 2 L HN 0.839 nan 8.230 nan 0.000 0.465 3 R N 4.205 124.628 120.500 -0.127 0.000 2.513 3 R HA 0.564 4.904 4.340 -0.000 0.000 0.301 3 R C -1.753 174.597 176.300 0.084 0.000 0.968 3 R CA -0.871 55.232 56.100 0.005 0.000 0.872 3 R CB 1.303 31.622 30.300 0.030 0.000 1.177 3 R HN 0.597 nan 8.270 nan 0.000 0.444 4 L N 3.816 125.089 121.223 0.082 0.000 2.275 4 L HA 0.433 4.773 4.340 -0.000 0.000 0.288 4 L C -1.082 175.863 176.870 0.125 0.000 1.046 4 L CA 0.079 54.975 54.840 0.092 0.000 0.805 4 L CB 1.475 43.573 42.059 0.064 0.000 1.193 4 L HN 0.640 nan 8.230 nan 0.000 0.426 5 D N 2.838 123.342 120.400 0.173 0.000 2.408 5 D HA 0.292 4.932 4.640 -0.000 0.000 0.243 5 D C -0.323 176.086 176.300 0.181 0.000 1.075 5 D CA -0.077 54.046 54.000 0.204 0.000 0.832 5 D CB 1.713 42.757 40.800 0.407 0.000 1.162 5 D HN 0.710 nan 8.370 nan 0.000 0.515 6 T N 0.790 115.400 114.554 0.093 0.000 3.296 6 T HA 0.112 4.462 4.350 -0.000 0.000 0.285 6 T C 1.536 176.251 174.700 0.024 0.000 1.014 6 T CA -0.574 61.562 62.100 0.059 0.000 0.920 6 T CB -0.061 68.752 68.868 -0.091 0.000 1.143 6 T HN 0.505 nan 8.240 nan 0.000 0.522 7 R N 0.449 120.894 120.500 -0.093 0.000 2.185 7 R HA -0.097 4.242 4.340 -0.000 0.000 0.247 7 R C 0.484 176.535 176.300 -0.416 0.000 1.159 7 R CA 1.492 57.391 56.100 -0.335 0.000 0.988 7 R CB -0.858 29.080 30.300 -0.603 0.000 0.871 7 R HN 0.420 nan 8.270 nan 0.000 0.458 8 F N 0.916 120.871 119.950 0.008 0.000 2.645 8 F HA 0.374 4.901 4.527 -0.000 0.000 0.300 8 F C 0.181 176.007 175.800 0.044 0.000 1.115 8 F CA -0.335 57.651 58.000 -0.024 0.000 1.355 8 F CB 0.554 39.480 39.000 -0.123 0.000 1.026 8 F HN -0.103 nan 8.300 nan 0.000 0.536 9 L N 2.548 123.881 121.223 0.183 0.000 2.529 9 L HA 0.267 4.606 4.340 -0.000 0.000 0.246 9 L C -1.407 175.572 176.870 0.181 0.000 1.394 9 L CA -1.177 53.778 54.840 0.190 0.000 0.906 9 L CB 1.143 43.308 42.059 0.177 0.000 1.170 9 L HN -0.194 nan 8.230 nan 0.000 0.501 10 P HA -0.154 nan 4.420 nan 0.000 0.219 10 P C 1.222 178.602 177.300 0.133 0.000 1.146 10 P CA 1.208 64.380 63.100 0.120 0.000 0.808 10 P CB 0.375 32.131 31.700 0.093 0.000 0.779 11 G N -1.631 107.261 108.800 0.153 0.000 3.088 11 G HA2 -0.109 3.851 3.960 -0.000 0.000 0.212 11 G HA3 -0.109 3.851 3.960 -0.000 0.000 0.212 11 G C 0.989 175.991 174.900 0.169 0.000 1.173 11 G CA -0.369 44.812 45.100 0.136 0.000 0.779 11 G HN 0.112 nan 8.290 nan 0.000 0.540 12 F N 2.479 122.470 119.950 0.067 0.000 2.146 12 F HA 0.071 4.598 4.527 -0.000 0.000 0.298 12 F C -0.120 175.713 175.800 0.056 0.000 1.096 12 F CA 0.457 58.495 58.000 0.063 0.000 1.275 12 F CB -0.627 38.408 39.000 0.058 0.000 1.008 12 F HN 0.077 nan 8.300 nan 0.000 0.480 13 P HA -0.197 nan 4.420 nan 0.000 0.216 13 P C 1.630 178.836 177.300 -0.156 0.000 1.150 13 P CA 1.700 64.715 63.100 -0.142 0.000 0.837 13 P CB -0.135 31.564 31.700 -0.002 0.000 0.786 14 E N -0.036 120.117 120.200 -0.078 0.000 2.107 14 E HA -0.109 4.241 4.350 -0.000 0.000 0.191 14 E C 1.845 178.414 176.600 -0.052 0.000 0.982 14 E CA 1.263 57.633 56.400 -0.049 0.000 0.809 14 E CB -0.475 29.222 29.700 -0.005 0.000 0.756 14 E HN 0.058 nan 8.360 nan 0.000 0.459 15 A N 1.268 124.053 122.820 -0.058 0.000 1.930 15 A HA -0.116 4.204 4.320 -0.000 0.000 0.217 15 A C 2.217 179.812 177.584 0.018 0.000 1.175 15 A CA 1.186 53.257 52.037 0.056 0.000 0.627 15 A CB -0.583 18.449 19.000 0.053 0.000 0.815 15 A HN 0.328 nan 8.150 nan 0.000 0.443 16 L N -0.255 120.762 121.223 -0.343 0.000 1.994 16 L HA -0.104 4.236 4.340 -0.000 0.000 0.208 16 L C 2.587 179.382 176.870 -0.126 0.000 1.071 16 L CA 2.613 57.248 54.840 -0.342 0.000 0.745 16 L CB -0.918 40.783 42.059 -0.597 0.000 0.892 16 L HN 0.328 nan 8.230 nan 0.000 0.431 17 S N -0.668 114.957 115.700 -0.125 0.000 2.353 17 S HA -0.286 4.184 4.470 -0.000 0.000 0.222 17 S C 2.325 176.887 174.600 -0.063 0.000 1.035 17 S CA 1.707 59.861 58.200 -0.077 0.000 1.025 17 S CB -0.398 62.760 63.200 -0.070 0.000 0.902 17 S HN 0.530 nan 8.310 nan 0.000 0.440 18 R N -0.703 119.756 120.500 -0.067 0.000 2.120 18 R HA -0.082 4.258 4.340 -0.000 0.000 0.234 18 R C 1.241 177.391 176.300 -0.250 0.000 1.123 18 R CA 1.796 57.804 56.100 -0.153 0.000 0.975 18 R CB -0.211 29.973 30.300 -0.193 0.000 0.866 18 R HN 0.548 nan 8.270 nan 0.000 0.446 19 H N -1.574 117.471 119.070 -0.041 0.000 2.529 19 H HA 0.222 4.778 4.556 -0.000 0.000 0.277 19 H C 1.522 176.827 175.328 -0.038 0.000 1.004 19 H CA 0.329 56.367 56.048 -0.017 0.000 1.167 19 H CB 0.580 30.353 29.762 0.019 0.000 1.445 19 H HN 0.361 nan 8.280 nan 0.000 0.554 20 G N 2.122 110.930 108.800 0.013 0.000 2.553 20 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.218 20 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.218 20 G C -0.585 174.303 174.900 -0.020 0.000 1.195 20 G CA 0.615 45.705 45.100 -0.017 0.000 0.779 20 G HN 0.337 nan 8.290 nan 0.000 0.577 21 P HA -0.065 nan 4.420 nan 0.000 0.215 21 P C 2.034 179.328 177.300 -0.009 0.000 1.153 21 P CA 0.582 63.671 63.100 -0.019 0.000 0.853 21 P CB -0.102 31.585 31.700 -0.022 0.000 0.788 22 L N -1.103 120.126 121.223 0.010 0.000 2.046 22 L HA -0.141 4.199 4.340 -0.000 0.000 0.208 22 L C 2.170 179.031 176.870 -0.014 0.000 1.077 22 L CA 1.780 56.634 54.840 0.023 0.000 0.747 22 L CB -1.151 40.961 42.059 0.088 0.000 0.896 22 L HN -0.123 nan 8.230 nan 0.000 0.432 23 L N -0.910 120.296 121.223 -0.028 0.000 2.056 23 L HA -0.143 4.197 4.340 -0.000 0.000 0.207 23 L C 2.622 179.411 176.870 -0.135 0.000 1.078 23 L CA 0.920 55.697 54.840 -0.105 0.000 0.749 23 L CB -0.769 41.224 42.059 -0.110 0.000 0.901 23 L HN 0.275 nan 8.230 nan 0.000 0.433 24 E N 0.107 120.255 120.200 -0.086 0.000 2.077 24 E HA -0.266 4.084 4.350 -0.000 0.000 0.193 24 E C 2.014 178.592 176.600 -0.037 0.000 0.989 24 E CA 1.311 57.668 56.400 -0.071 0.000 0.800 24 E CB -0.079 29.595 29.700 -0.044 0.000 0.746 24 E HN 0.396 nan 8.360 nan 0.000 0.452 25 E N 1.117 121.305 120.200 -0.019 0.000 2.106 25 E HA -0.069 4.281 4.350 -0.000 0.000 0.192 25 E C 1.881 178.497 176.600 0.028 0.000 0.984 25 E CA 1.301 57.706 56.400 0.008 0.000 0.806 25 E CB -0.263 29.445 29.700 0.012 0.000 0.750 25 E HN 0.166 nan 8.360 nan 0.000 0.458 26 A N 1.042 123.868 122.820 0.009 0.000 1.877 26 A HA -0.207 4.113 4.320 -0.000 0.000 0.216 26 A C 2.329 180.002 177.584 0.149 0.000 1.186 26 A CA 1.912 53.983 52.037 0.056 0.000 0.620 26 A CB -0.667 18.335 19.000 0.003 0.000 0.822 26 A HN 0.300 nan 8.150 nan 0.000 0.443 27 R N -0.572 119.964 120.500 0.061 0.000 2.081 27 R HA -0.126 4.213 4.340 -0.000 0.000 0.235 27 R C 2.449 178.881 176.300 0.219 0.000 1.131 27 R CA 1.576 57.805 56.100 0.214 0.000 0.960 27 R CB -0.341 29.941 30.300 -0.031 0.000 0.856 27 R HN 0.522 nan 8.270 nan 0.000 0.436 28 R N 0.505 121.071 120.500 0.109 0.000 2.083 28 R HA -0.140 4.200 4.340 -0.000 0.000 0.237 28 R C 2.264 178.625 176.300 0.101 0.000 1.137 28 R CA 1.846 57.999 56.100 0.089 0.000 0.951 28 R CB -0.155 30.175 30.300 0.049 0.000 0.851 28 R HN 0.274 nan 8.270 nan 0.000 0.434 29 R N 0.222 120.784 120.500 0.104 0.000 2.091 29 R HA -0.178 4.162 4.340 -0.000 0.000 0.238 29 R C 2.379 178.752 176.300 0.121 0.000 1.136 29 R CA 1.510 57.670 56.100 0.100 0.000 0.959 29 R CB -0.478 29.881 30.300 0.098 0.000 0.856 29 R HN 0.213 nan 8.270 nan 0.000 0.437 30 L N 0.994 122.327 121.223 0.184 0.000 2.027 30 L HA -0.109 4.231 4.340 -0.000 0.000 0.206 30 L C 1.973 178.912 176.870 0.115 0.000 1.074 30 L CA 1.626 56.579 54.840 0.188 0.000 0.745 30 L CB -0.334 41.911 42.059 0.311 0.000 0.898 30 L HN 0.113 nan 8.230 nan 0.000 0.433 31 L N -0.468 120.848 121.223 0.154 0.000 2.131 31 L HA -0.137 4.203 4.340 -0.000 0.000 0.210 31 L C 2.597 179.489 176.870 0.036 0.000 1.092 31 L CA 0.944 55.842 54.840 0.097 0.000 0.759 31 L CB -0.916 41.220 42.059 0.129 0.000 0.903 31 L HN 0.392 nan 8.230 nan 0.000 0.435 32 A N 0.090 122.936 122.820 0.043 0.000 2.067 32 A HA -0.171 4.149 4.320 -0.000 0.000 0.219 32 A C 2.217 179.800 177.584 -0.003 0.000 1.158 32 A CA 1.269 53.318 52.037 0.020 0.000 0.661 32 A CB -0.256 18.761 19.000 0.030 0.000 0.801 32 A HN 0.335 nan 8.150 nan 0.000 0.452 33 K N -0.237 120.158 120.400 -0.010 0.000 2.432 33 K HA 0.027 4.347 4.320 -0.000 0.000 0.196 33 K C 0.435 176.979 176.600 -0.094 0.000 1.038 33 K CA 0.032 56.294 56.287 -0.042 0.000 0.986 33 K CB 0.066 32.545 32.500 -0.035 0.000 0.782 33 K HN 0.437 nan 8.250 nan 0.000 0.485 34 R N -0.236 120.201 120.500 -0.104 0.000 2.738 34 R HA 0.069 4.409 4.340 -0.000 0.000 0.268 34 R C 1.151 177.388 176.300 -0.105 0.000 1.062 34 R CA 0.681 56.695 56.100 -0.143 0.000 1.158 34 R CB 0.398 30.616 30.300 -0.137 0.000 1.046 34 R HN 0.303 nan 8.270 nan 0.000 0.493 35 G N 0.635 109.365 108.800 -0.117 0.000 2.640 35 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.226 35 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.226 35 G C -0.013 174.841 174.900 -0.077 0.000 1.222 35 G CA -0.173 44.876 45.100 -0.085 0.000 0.729 35 G HN 0.551 nan 8.290 nan 0.000 0.516 36 E N 3.078 123.234 120.200 -0.074 0.000 2.406 36 E HA 0.283 4.633 4.350 -0.000 0.000 0.258 36 E C -2.042 174.515 176.600 -0.072 0.000 1.043 36 E CA -1.030 55.334 56.400 -0.060 0.000 0.929 36 E CB 0.554 30.224 29.700 -0.051 0.000 0.969 36 E HN 0.276 nan 8.360 nan 0.000 0.462 37 P HA -0.031 nan 4.420 nan 0.000 0.264 37 P C 0.638 177.905 177.300 -0.056 0.000 1.183 37 P CA 0.844 63.910 63.100 -0.056 0.000 0.763 37 P CB 0.529 32.206 31.700 -0.038 0.000 0.807 38 G N 2.174 110.935 108.800 -0.065 0.000 2.143 38 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.249 38 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.249 38 G C 1.011 175.863 174.900 -0.080 0.000 0.981 38 G CA 0.477 45.543 45.100 -0.056 0.000 0.665 38 G HN 0.609 nan 8.290 nan 0.000 0.528 39 S N -0.443 115.177 115.700 -0.133 0.000 2.527 39 S HA 0.244 4.714 4.470 -0.000 0.000 0.222 39 S C 1.635 176.021 174.600 -0.355 0.000 0.985 39 S CA 1.119 59.204 58.200 -0.192 0.000 0.921 39 S CB -0.209 62.866 63.200 -0.209 0.000 0.772 39 S HN 1.154 nan 8.310 nan 0.000 0.529 40 M N -0.167 119.247 119.600 -0.310 0.000 2.576 40 M HA -0.129 4.351 4.480 -0.000 0.000 0.200 40 M C 0.005 175.914 176.300 -0.651 0.000 0.487 40 M CA 0.494 55.572 55.300 -0.369 0.000 0.553 40 M CB -2.602 29.847 32.600 -0.251 0.000 2.042 40 M HN 0.473 nan 8.290 nan 0.000 0.758 41 L N -1.709 119.101 121.223 -0.688 0.000 2.818 41 L HA 0.241 4.581 4.340 -0.000 0.000 0.243 41 L C 2.015 178.270 176.870 -1.024 0.000 1.185 41 L CA 0.325 54.532 54.840 -1.054 0.000 0.988 41 L CB 0.050 41.577 42.059 -0.887 0.000 1.292 41 L HN 0.540 nan 8.230 nan 0.000 0.519 42 G N 0.815 109.278 108.800 -0.561 0.000 2.501 42 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.220 42 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.220 42 G C 1.259 175.981 174.900 -0.297 0.000 1.114 42 G CA 0.217 45.107 45.100 -0.351 0.000 0.757 42 G HN 0.710 nan 8.290 nan 0.000 0.559 43 W N -0.030 121.151 121.300 -0.199 0.000 2.525 43 W HA 0.091 4.751 4.660 -0.000 0.000 0.259 43 W C 1.732 178.168 176.519 -0.137 0.000 1.253 43 W CA 0.406 57.686 57.345 -0.107 0.000 1.262 43 W CB -0.805 28.639 29.460 -0.026 0.000 1.122 43 W HN 0.214 nan 8.180 nan 0.000 0.607 44 M N 0.930 120.073 119.600 -0.761 0.000 2.349 44 M HA -0.095 4.385 4.480 -0.000 0.000 0.266 44 M C 1.136 177.330 176.300 -0.176 0.000 1.076 44 M CA 1.536 56.502 55.300 -0.556 0.000 1.126 44 M CB -0.374 31.721 32.600 -0.841 0.000 1.392 44 M HN -0.171 nan 8.290 nan 0.000 0.440 45 D N 0.308 120.597 120.400 -0.186 0.000 2.346 45 D HA 0.066 4.706 4.640 -0.000 0.000 0.206 45 D C 2.063 178.351 176.300 -0.021 0.000 1.001 45 D CA 0.590 54.538 54.000 -0.087 0.000 0.871 45 D CB 0.074 40.807 40.800 -0.111 0.000 0.943 45 D HN 0.350 nan 8.370 nan 0.000 0.518 46 L N 1.057 122.287 121.223 0.011 0.000 2.081 46 L HA -0.159 4.181 4.340 -0.000 0.000 0.212 46 L C -0.464 176.434 176.870 0.046 0.000 1.080 46 L CA 1.480 56.348 54.840 0.047 0.000 0.754 46 L CB -1.631 40.484 42.059 0.093 0.000 0.893 46 L HN 0.025 nan 8.230 nan 0.000 0.433 47 P HA -0.130 nan 4.420 nan 0.000 0.222 47 P C 1.000 178.315 177.300 0.025 0.000 1.147 47 P CA 1.054 64.179 63.100 0.043 0.000 0.790 47 P CB 0.081 31.814 31.700 0.055 0.000 0.780 48 E N -0.927 119.283 120.200 0.018 0.000 2.463 48 E HA 0.007 4.357 4.350 -0.000 0.000 0.193 48 E C 0.080 176.686 176.600 0.009 0.000 1.041 48 E CA 0.241 56.647 56.400 0.009 0.000 0.879 48 E CB -0.234 29.466 29.700 0.001 0.000 0.997 48 E HN 0.224 nan 8.360 nan 0.000 0.478 49 D N 1.737 122.146 120.400 0.015 0.000 2.483 49 D HA 0.004 4.644 4.640 -0.000 0.000 0.220 49 D C 0.457 176.770 176.300 0.021 0.000 1.173 49 D CA -0.008 54.004 54.000 0.019 0.000 0.964 49 D CB 0.378 41.193 40.800 0.026 0.000 1.046 49 D HN -0.099 nan 8.370 nan 0.000 0.517 50 T N 0.021 114.585 114.554 0.018 0.000 3.278 50 T HA 0.096 4.446 4.350 -0.000 0.000 0.251 50 T C 1.007 175.720 174.700 0.023 0.000 1.039 50 T CA -0.252 61.858 62.100 0.018 0.000 0.935 50 T CB 0.476 69.352 68.868 0.013 0.000 1.034 50 T HN 0.462 nan 8.240 nan 0.000 0.575 51 E N 0.931 121.149 120.200 0.030 0.000 2.288 51 E HA -0.015 4.335 4.350 -0.000 0.000 0.200 51 E C 1.612 178.246 176.600 0.057 0.000 0.880 51 E CA 0.368 56.791 56.400 0.038 0.000 0.971 51 E CB 0.065 29.785 29.700 0.034 0.000 0.954 51 E HN 0.327 nan 8.360 nan 0.000 0.489 52 T N 3.229 117.821 114.554 0.063 0.000 2.746 52 T HA -0.156 4.194 4.350 -0.000 0.000 0.267 52 T C 1.984 176.733 174.700 0.082 0.000 1.039 52 T CA 1.643 63.799 62.100 0.094 0.000 1.142 52 T CB -0.385 68.536 68.868 0.088 0.000 0.866 52 T HN 0.373 nan 8.240 nan 0.000 0.444 53 L N -0.009 121.240 121.223 0.043 0.000 2.191 53 L HA 0.021 4.361 4.340 -0.000 0.000 0.212 53 L C 2.498 179.387 176.870 0.033 0.000 1.103 53 L CA 1.395 56.247 54.840 0.019 0.000 0.769 53 L CB -0.494 41.567 42.059 0.004 0.000 0.908 53 L HN 0.060 nan 8.230 nan 0.000 0.438 54 R N 0.395 120.923 120.500 0.046 0.000 2.075 54 R HA -0.147 4.193 4.340 -0.000 0.000 0.232 54 R C 2.331 178.682 176.300 0.086 0.000 1.126 54 R CA 1.676 57.804 56.100 0.048 0.000 0.963 54 R CB -0.370 29.954 30.300 0.041 0.000 0.858 54 R HN 0.566 nan 8.270 nan 0.000 0.435 55 E N 0.703 120.978 120.200 0.125 0.000 2.110 55 E HA -0.166 4.184 4.350 -0.000 0.000 0.193 55 E C 1.850 178.639 176.600 0.316 0.000 0.988 55 E CA 1.193 57.714 56.400 0.202 0.000 0.804 55 E CB 0.194 30.028 29.700 0.224 0.000 0.745 55 E HN 0.090 nan 8.360 nan 0.000 0.458 56 V N 0.970 121.024 119.914 0.234 0.000 2.307 56 V HA -0.233 3.887 4.120 -0.000 0.000 0.245 56 V C 2.470 178.638 176.094 0.124 0.000 1.045 56 V CA 1.996 64.374 62.300 0.129 0.000 1.024 56 V CB -0.500 31.254 31.823 -0.115 0.000 0.651 56 V HN 0.251 nan 8.190 nan 0.000 0.449 57 R N -0.412 120.117 120.500 0.049 0.000 2.083 57 R HA -0.124 4.216 4.340 -0.000 0.000 0.237 57 R C 2.577 178.881 176.300 0.007 0.000 1.137 57 R CA 1.256 57.349 56.100 -0.013 0.000 0.951 57 R CB -0.338 29.950 30.300 -0.019 0.000 0.851 57 R HN 0.351 nan 8.270 nan 0.000 0.434 58 R N -0.106 120.438 120.500 0.074 0.000 2.096 58 R HA -0.168 4.172 4.340 -0.000 0.000 0.235 58 R C 2.060 178.426 176.300 0.111 0.000 1.127 58 R CA 1.337 57.483 56.100 0.076 0.000 0.968 58 R CB -0.865 29.493 30.300 0.096 0.000 0.861 58 R HN 0.371 nan 8.270 nan 0.000 0.440 59 Y N 1.859 122.220 120.300 0.100 0.000 2.181 59 Y HA -0.168 4.382 4.550 -0.000 0.000 0.288 59 Y C 2.546 178.487 175.900 0.068 0.000 1.146 59 Y CA 1.519 59.715 58.100 0.160 0.000 1.164 59 Y CB -0.148 38.542 38.460 0.384 0.000 0.982 59 Y HN -0.135 nan 8.280 nan 0.000 0.515 60 R N 1.130 121.516 120.500 -0.189 0.000 2.073 60 R HA -0.186 4.154 4.340 -0.000 0.000 0.234 60 R C 1.955 177.961 176.300 -0.489 0.000 1.134 60 R CA 2.260 57.939 56.100 -0.701 0.000 0.952 60 R CB -0.535 29.274 30.300 -0.820 0.000 0.850 60 R HN 0.553 nan 8.270 nan 0.000 0.433 61 E N -0.216 119.822 120.200 -0.269 0.000 2.160 61 E HA -0.145 4.205 4.350 -0.000 0.000 0.195 61 E C 1.634 178.162 176.600 -0.120 0.000 0.991 61 E CA 1.214 57.514 56.400 -0.167 0.000 0.810 61 E CB -0.083 29.561 29.700 -0.093 0.000 0.742 61 E HN 0.441 nan 8.360 nan 0.000 0.466 62 A N 0.824 123.573 122.820 -0.117 0.000 2.206 62 A HA -0.017 4.303 4.320 -0.000 0.000 0.211 62 A C 0.756 178.320 177.584 -0.032 0.000 1.158 62 A CA 0.364 52.371 52.037 -0.050 0.000 0.761 62 A CB 0.202 19.194 19.000 -0.014 0.000 0.801 62 A HN 0.081 nan 8.150 nan 0.000 0.473 63 N N 0.167 118.772 118.700 -0.158 0.000 2.723 63 N HA 0.149 4.889 4.740 -0.000 0.000 0.290 63 N C -2.480 172.786 175.510 -0.407 0.000 1.882 63 N CA -0.761 52.148 53.050 -0.235 0.000 0.851 63 N CB 1.140 39.413 38.487 -0.357 0.000 1.234 63 N HN 0.272 nan 8.380 nan 0.000 0.491 64 P HA -0.037 nan 4.420 nan 0.000 0.242 64 P C 1.296 178.566 177.300 -0.050 0.000 1.197 64 P CA 0.329 63.370 63.100 -0.098 0.000 0.765 64 P CB -0.164 31.531 31.700 -0.009 0.000 0.936 65 W N -0.270 121.055 121.300 0.043 0.000 2.905 65 W HA 0.152 4.812 4.660 -0.000 0.000 0.251 65 W C -0.195 176.357 176.519 0.055 0.000 1.305 65 W CA -0.270 57.099 57.345 0.039 0.000 1.465 65 W CB -1.129 28.340 29.460 0.017 0.000 1.122 65 W HN -0.343 nan 8.180 nan 0.000 0.659 66 V N 3.096 122.645 119.914 -0.609 0.000 2.485 66 V HA -0.079 4.041 4.120 -0.000 0.000 0.287 66 V C 0.940 176.965 176.094 -0.113 0.000 1.022 66 V CA 0.950 62.959 62.300 -0.485 0.000 1.067 66 V CB 0.955 32.337 31.823 -0.734 0.000 0.967 66 V HN 0.115 nan 8.190 nan 0.000 0.479 67 E N 1.908 122.105 120.200 -0.004 0.000 2.453 67 E HA 0.155 4.505 4.350 -0.000 0.000 0.211 67 E C -0.246 176.348 176.600 -0.010 0.000 0.897 67 E CA 0.068 56.483 56.400 0.024 0.000 1.063 67 E CB 0.741 30.495 29.700 0.091 0.000 1.080 67 E HN 0.725 nan 8.360 nan 0.000 0.512 68 D N 0.077 120.476 120.400 -0.003 0.000 2.757 68 D HA 0.186 4.826 4.640 -0.000 0.000 0.249 68 D C -1.558 174.679 176.300 -0.105 0.000 1.168 68 D CA -0.380 53.629 54.000 0.014 0.000 0.870 68 D CB 1.854 42.784 40.800 0.216 0.000 1.411 68 D HN -0.056 nan 8.370 nan 0.000 0.525 69 F N 2.790 122.444 119.950 -0.494 0.000 2.375 69 F HA 0.284 4.811 4.527 -0.000 0.000 0.361 69 F C -0.695 174.892 175.800 -0.355 0.000 1.117 69 F CA -0.615 57.036 58.000 -0.582 0.000 1.037 69 F CB 1.019 39.352 39.000 -1.112 0.000 1.192 69 F HN 0.007 nan 8.300 nan 0.000 0.452 70 V N 8.099 127.808 119.914 -0.342 0.000 2.334 70 V HA 0.202 4.322 4.120 -0.000 0.000 0.267 70 V C -0.080 175.821 176.094 -0.323 0.000 1.040 70 V CA -0.620 61.514 62.300 -0.277 0.000 0.866 70 V CB 1.205 32.744 31.823 -0.474 0.000 1.019 70 V HN 0.644 nan 8.190 nan 0.000 0.468 71 L N 6.923 128.079 121.223 -0.112 0.000 2.261 71 L HA 0.530 4.870 4.340 -0.000 0.000 0.289 71 L C -0.326 176.537 176.870 -0.011 0.000 1.059 71 L CA -0.294 54.565 54.840 0.032 0.000 0.816 71 L CB 0.633 42.839 42.059 0.245 0.000 1.191 71 L HN 0.537 nan 8.230 nan 0.000 0.431 72 I N 5.632 126.166 120.570 -0.060 0.000 2.287 72 I HA 0.490 4.660 4.170 -0.000 0.000 0.290 72 I C 0.573 176.708 176.117 0.030 0.000 1.069 72 I CA -0.172 61.097 61.300 -0.052 0.000 1.237 72 I CB 0.675 38.613 38.000 -0.104 0.000 1.418 72 I HN 0.697 nan 8.210 nan 0.000 0.481 73 G N 6.301 115.142 108.800 0.068 0.000 2.547 73 G HA2 0.640 4.600 3.960 -0.000 0.000 0.291 73 G HA3 0.640 4.600 3.960 -0.000 0.000 0.291 73 G C -1.909 173.046 174.900 0.092 0.000 1.471 73 G CA -0.432 44.720 45.100 0.087 0.000 0.798 73 G HN 0.432 nan 8.290 nan 0.000 0.504 74 I N -0.170 120.447 120.570 0.077 0.000 2.994 74 I HA 0.634 4.804 4.170 -0.000 0.000 0.306 74 I C 1.043 177.195 176.117 0.058 0.000 1.195 74 I CA 0.702 62.043 61.300 0.068 0.000 1.001 74 I CB 2.050 40.082 38.000 0.053 0.000 1.244 74 I HN 1.773 nan 8.210 nan 0.000 0.437 75 G N 3.738 112.566 108.800 0.046 0.000 2.596 75 G HA2 -0.350 3.610 3.960 -0.000 0.000 0.304 75 G HA3 -0.350 3.610 3.960 -0.000 0.000 0.304 75 G C 0.925 175.847 174.900 0.038 0.000 1.189 75 G CA 0.529 45.644 45.100 0.025 0.000 0.986 75 G HN 1.312 nan 8.290 nan 0.000 0.548 76 G N -0.539 108.281 108.800 0.033 0.000 2.470 76 G HA2 0.141 4.101 3.960 -0.000 0.000 0.220 76 G HA3 0.141 4.101 3.960 -0.000 0.000 0.220 76 G C 1.769 176.728 174.900 0.098 0.000 1.121 76 G CA 1.946 47.080 45.100 0.058 0.000 0.766 76 G HN 1.179 nan 8.290 nan 0.000 0.553 77 S N -0.249 115.508 115.700 0.094 0.000 2.575 77 S HA 0.489 4.959 4.470 -0.000 0.000 0.215 77 S C 1.790 176.468 174.600 0.130 0.000 0.966 77 S CA 0.458 58.725 58.200 0.112 0.000 0.911 77 S CB 0.493 63.756 63.200 0.105 0.000 0.780 77 S HN 0.590 nan 8.310 nan 0.000 0.514 78 A N 0.395 123.283 122.820 0.114 0.000 1.878 78 A HA 0.425 4.744 4.320 -0.000 0.000 0.201 78 A C 1.562 179.162 177.584 0.027 0.000 1.684 78 A CA -0.124 51.979 52.037 0.110 0.000 1.113 78 A CB -0.302 18.764 19.000 0.110 0.000 1.131 78 A HN 0.324 nan 8.150 nan 0.000 0.472 79 L N 0.300 121.561 121.223 0.064 0.000 2.017 79 L HA -0.112 4.228 4.340 -0.000 0.000 0.208 79 L C 2.778 179.724 176.870 0.127 0.000 1.073 79 L CA 1.511 56.409 54.840 0.097 0.000 0.745 79 L CB -0.756 41.401 42.059 0.162 0.000 0.894 79 L HN 0.493 nan 8.230 nan 0.000 0.432 80 G N 0.311 109.226 108.800 0.192 0.000 2.433 80 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.216 80 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.216 80 G C -0.702 174.141 174.900 -0.094 0.000 1.186 80 G CA 0.712 45.808 45.100 -0.007 0.000 0.779 80 G HN 0.309 nan 8.290 nan 0.000 0.543 81 P HA -0.051 nan 4.420 nan 0.000 0.215 81 P C 1.888 179.087 177.300 -0.168 0.000 1.157 81 P CA 1.393 64.465 63.100 -0.047 0.000 0.868 81 P CB -0.009 31.756 31.700 0.107 0.000 0.788 82 K N -0.566 119.644 120.400 -0.317 0.000 2.032 82 K HA -0.144 4.176 4.320 -0.000 0.000 0.209 82 K C 2.140 178.516 176.600 -0.374 0.000 1.048 82 K CA 1.708 57.628 56.287 -0.612 0.000 0.927 82 K CB -0.787 31.249 32.500 -0.774 0.000 0.712 82 K HN 0.030 nan 8.250 nan 0.000 0.441 83 A N 1.353 124.056 122.820 -0.195 0.000 1.908 83 A HA -0.163 4.157 4.320 -0.000 0.000 0.218 83 A C 2.142 179.602 177.584 -0.206 0.000 1.181 83 A CA 1.414 53.378 52.037 -0.122 0.000 0.627 83 A CB -0.606 18.317 19.000 -0.129 0.000 0.818 83 A HN 0.169 nan 8.150 nan 0.000 0.445 84 L N -1.106 119.995 121.223 -0.203 0.000 2.044 84 L HA -0.111 4.229 4.340 -0.000 0.000 0.205 84 L C 2.751 179.523 176.870 -0.163 0.000 1.075 84 L CA 1.425 56.190 54.840 -0.126 0.000 0.747 84 L CB -0.502 41.533 42.059 -0.040 0.000 0.903 84 L HN 0.468 nan 8.230 nan 0.000 0.435 85 E N 0.937 120.990 120.200 -0.245 0.000 2.110 85 E HA -0.230 4.120 4.350 -0.000 0.000 0.193 85 E C 2.105 178.541 176.600 -0.273 0.000 0.988 85 E CA 1.414 57.606 56.400 -0.347 0.000 0.804 85 E CB 0.125 29.442 29.700 -0.638 0.000 0.745 85 E HN 0.417 nan 8.360 nan 0.000 0.458 86 A N 0.920 123.587 122.820 -0.255 0.000 1.972 86 A HA -0.016 4.304 4.320 -0.000 0.000 0.219 86 A C 2.310 179.766 177.584 -0.212 0.000 1.169 86 A CA 1.829 53.766 52.037 -0.166 0.000 0.635 86 A CB -0.418 18.551 19.000 -0.051 0.000 0.810 86 A HN 0.347 nan 8.150 nan 0.000 0.446 87 A N -1.954 120.619 122.820 -0.411 0.000 2.030 87 A HA 0.374 4.694 4.320 -0.000 0.000 0.215 87 A C 0.963 178.076 177.584 -0.786 0.000 1.164 87 A CA 0.738 52.343 52.037 -0.720 0.000 0.697 87 A CB -0.159 18.131 19.000 -1.183 0.000 0.827 87 A HN 0.451 nan 8.150 nan 0.000 0.457 88 F N -0.257 119.657 119.950 -0.060 0.000 2.814 88 F HA 0.316 4.843 4.527 -0.000 0.000 0.326 88 F C 0.252 176.023 175.800 -0.049 0.000 1.159 88 F CA -1.581 56.390 58.000 -0.049 0.000 1.234 88 F CB -0.227 38.740 39.000 -0.055 0.000 1.016 88 F HN 0.044 nan 8.300 nan 0.000 0.510 89 N N 2.046 120.779 118.700 0.055 0.000 2.416 89 N HA -0.005 4.735 4.740 -0.000 0.000 0.265 89 N C 0.786 176.348 175.510 0.086 0.000 1.195 89 N CA 0.594 53.681 53.050 0.061 0.000 0.943 89 N CB 0.774 39.289 38.487 0.047 0.000 1.115 89 N HN 0.253 nan 8.380 nan 0.000 0.481 90 E N 1.219 121.473 120.200 0.090 0.000 2.399 90 E HA -0.030 4.320 4.350 -0.000 0.000 0.205 90 E C 1.499 178.138 176.600 0.066 0.000 0.906 90 E CA 0.384 56.827 56.400 0.072 0.000 0.998 90 E CB -0.098 29.637 29.700 0.058 0.000 1.002 90 E HN 0.713 nan 8.360 nan 0.000 0.501 91 S N -0.150 115.598 115.700 0.081 0.000 2.436 91 S HA 0.080 4.550 4.470 -0.000 0.000 0.228 91 S C 1.777 176.423 174.600 0.077 0.000 1.014 91 S CA 1.100 59.344 58.200 0.073 0.000 0.950 91 S CB 0.048 63.298 63.200 0.084 0.000 0.784 91 S HN 0.289 nan 8.310 nan 0.000 0.504 92 G N 0.300 109.159 108.800 0.098 0.000 2.175 92 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.244 92 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.244 92 G C 0.114 175.063 174.900 0.081 0.000 0.982 92 G CA -0.013 45.138 45.100 0.085 0.000 0.641 92 G HN 0.699 nan 8.290 nan 0.000 0.527 93 V N 1.647 121.615 119.914 0.089 0.000 2.673 93 V HA 0.218 4.338 4.120 -0.000 0.000 0.303 93 V C 1.266 177.332 176.094 -0.047 0.000 1.046 93 V CA 0.381 62.673 62.300 -0.013 0.000 1.126 93 V CB 0.753 32.530 31.823 -0.076 0.000 0.934 93 V HN 0.418 nan 8.190 nan 0.000 0.487 94 R N 4.124 124.540 120.500 -0.140 0.000 2.254 94 R HA 0.449 4.789 4.340 -0.000 0.000 0.318 94 R C -1.056 174.936 176.300 -0.512 0.000 1.031 94 R CA -0.150 55.846 56.100 -0.174 0.000 0.905 94 R CB 0.731 30.991 30.300 -0.067 0.000 1.050 94 R HN 0.499 nan 8.270 nan 0.000 0.456 95 F N 2.444 122.149 119.950 -0.409 0.000 2.421 95 F HA 0.323 4.850 4.527 -0.000 0.000 0.337 95 F C 0.710 176.046 175.800 -0.774 0.000 1.105 95 F CA -0.463 57.236 58.000 -0.503 0.000 1.049 95 F CB 1.268 40.057 39.000 -0.352 0.000 1.139 95 F HN 0.309 nan 8.300 nan 0.000 0.479 96 H N 3.135 122.096 119.070 -0.181 0.000 2.609 96 H HA 0.260 4.816 4.556 -0.000 0.000 0.344 96 H C -1.512 173.646 175.328 -0.283 0.000 1.040 96 H CA -0.769 55.209 56.048 -0.117 0.000 1.216 96 H CB 1.409 31.136 29.762 -0.058 0.000 1.529 96 H HN 0.549 nan 8.280 nan 0.000 0.519 97 Y N 2.268 122.684 120.300 0.194 0.000 2.334 97 Y HA 0.186 4.736 4.550 -0.000 0.000 0.336 97 Y C 0.124 176.090 175.900 0.111 0.000 0.960 97 Y CA -0.798 57.382 58.100 0.134 0.000 1.164 97 Y CB 1.221 39.742 38.460 0.102 0.000 1.155 97 Y HN 0.409 nan 8.280 nan 0.000 0.478 98 L N 5.342 126.631 121.223 0.111 0.000 2.389 98 L HA 0.202 4.542 4.340 -0.000 0.000 0.265 98 L C -0.010 176.843 176.870 -0.028 0.000 1.167 98 L CA -0.103 54.702 54.840 -0.059 0.000 1.045 98 L CB -0.239 41.738 42.059 -0.136 0.000 1.351 98 L HN 0.600 nan 8.230 nan 0.000 0.419 99 D N 0.426 120.875 120.400 0.082 0.000 2.755 99 D HA 0.186 4.826 4.640 -0.000 0.000 0.257 99 D C -0.028 176.364 176.300 0.152 0.000 1.291 99 D CA -0.305 53.764 54.000 0.115 0.000 0.836 99 D CB -0.113 40.783 40.800 0.160 0.000 1.059 99 D HN 0.563 nan 8.370 nan 0.000 0.486 100 H N -3.624 115.488 119.070 0.070 0.000 2.917 100 H HA 0.480 5.036 4.556 -0.000 0.000 0.299 100 H C -0.614 174.744 175.328 0.051 0.000 1.418 100 H CA -0.840 55.241 56.048 0.055 0.000 1.138 100 H CB 0.954 30.749 29.762 0.055 0.000 1.830 100 H HN -0.128 nan 8.280 nan 0.000 0.514 101 V N -2.660 117.343 119.914 0.148 0.000 3.111 101 V HA 0.332 4.452 4.120 -0.000 0.000 0.343 101 V C 0.308 176.513 176.094 0.184 0.000 1.417 101 V CA -0.111 62.236 62.300 0.079 0.000 1.142 101 V CB 0.026 31.872 31.823 0.039 0.000 1.114 101 V HN 0.814 nan 8.190 nan 0.000 0.520 102 E N 3.373 123.810 120.200 0.395 0.000 2.299 102 E HA 0.231 4.581 4.350 -0.000 0.000 0.272 102 E C -1.055 175.651 176.600 0.177 0.000 1.043 102 E CA -1.407 55.112 56.400 0.199 0.000 0.895 102 E CB 1.526 31.277 29.700 0.085 0.000 1.011 102 E HN 0.301 nan 8.360 nan 0.000 0.432 103 P HA -0.214 nan 4.420 nan 0.000 0.215 103 P C 0.430 177.755 177.300 0.040 0.000 1.157 103 P CA 1.388 64.518 63.100 0.050 0.000 0.874 103 P CB 0.315 32.028 31.700 0.022 0.000 0.790 104 E N 0.269 120.488 120.200 0.032 0.000 2.038 104 E HA -0.139 4.211 4.350 -0.000 0.000 0.195 104 E C -0.352 176.264 176.600 0.025 0.000 1.000 104 E CA 1.944 58.354 56.400 0.016 0.000 0.803 104 E CB -2.180 27.524 29.700 0.006 0.000 0.750 104 E HN 0.395 nan 8.360 nan 0.000 0.448 105 P HA -0.120 nan 4.420 nan 0.000 0.216 105 P C 1.078 178.438 177.300 0.100 0.000 1.150 105 P CA 1.092 64.237 63.100 0.075 0.000 0.837 105 P CB 0.060 31.795 31.700 0.059 0.000 0.786 106 I N -1.783 118.862 120.570 0.126 0.000 2.286 106 I HA -0.188 3.982 4.170 -0.000 0.000 0.245 106 I C 2.072 178.129 176.117 -0.101 0.000 1.104 106 I CA 0.897 62.222 61.300 0.042 0.000 1.397 106 I CB -0.536 37.486 38.000 0.037 0.000 1.072 106 I HN -0.089 nan 8.210 nan 0.000 0.417 107 L N 0.818 121.995 121.223 -0.077 0.000 2.083 107 L HA -0.173 4.167 4.340 -0.000 0.000 0.209 107 L C 2.576 179.385 176.870 -0.103 0.000 1.083 107 L CA 1.682 56.457 54.840 -0.108 0.000 0.752 107 L CB -0.831 41.194 42.059 -0.056 0.000 0.899 107 L HN 0.123 nan 8.230 nan 0.000 0.433 108 R N -0.937 119.527 120.500 -0.061 0.000 2.081 108 R HA -0.146 4.194 4.340 -0.000 0.000 0.235 108 R C 2.281 178.529 176.300 -0.086 0.000 1.131 108 R CA 1.467 57.538 56.100 -0.048 0.000 0.960 108 R CB -0.238 30.054 30.300 -0.014 0.000 0.856 108 R HN 0.342 nan 8.270 nan 0.000 0.436 109 L N 0.599 121.750 121.223 -0.120 0.000 2.046 109 L HA -0.195 4.144 4.340 -0.000 0.000 0.208 109 L C 2.417 179.092 176.870 -0.326 0.000 1.077 109 L CA 1.151 55.875 54.840 -0.193 0.000 0.747 109 L CB -0.404 41.579 42.059 -0.127 0.000 0.896 109 L HN 0.282 nan 8.230 nan 0.000 0.432 110 L N -0.589 120.342 121.223 -0.486 0.000 2.131 110 L HA -0.201 4.139 4.340 -0.000 0.000 0.210 110 L C 2.534 179.326 176.870 -0.130 0.000 1.092 110 L CA 1.256 55.671 54.840 -0.709 0.000 0.759 110 L CB -0.416 41.231 42.059 -0.688 0.000 0.903 110 L HN 0.245 nan 8.230 nan 0.000 0.435 111 R N -1.027 119.424 120.500 -0.081 0.000 2.280 111 R HA -0.007 4.333 4.340 -0.000 0.000 0.195 111 R C 1.972 178.284 176.300 0.020 0.000 0.935 111 R CA 1.215 57.319 56.100 0.008 0.000 1.033 111 R CB 0.076 30.371 30.300 -0.008 0.000 0.964 111 R HN 0.435 nan 8.270 nan 0.000 0.489 112 T N -2.587 111.966 114.554 -0.001 0.000 2.969 112 T HA 0.278 4.628 4.350 -0.000 0.000 0.250 112 T C 0.719 175.447 174.700 0.047 0.000 1.021 112 T CA -0.240 61.869 62.100 0.016 0.000 1.003 112 T CB 0.259 69.125 68.868 -0.004 0.000 1.040 112 T HN -0.092 nan 8.240 nan 0.000 0.492 113 L N 2.507 123.772 121.223 0.070 0.000 2.395 113 L HA 0.447 4.787 4.340 -0.000 0.000 0.269 113 L C -0.023 177.018 176.870 0.285 0.000 1.133 113 L CA -0.726 54.210 54.840 0.161 0.000 0.812 113 L CB 0.642 42.791 42.059 0.150 0.000 1.125 113 L HN 0.151 nan 8.230 nan 0.000 0.452 114 D N 3.741 124.270 120.400 0.215 0.000 2.347 114 D HA 0.184 4.824 4.640 -0.000 0.000 0.235 114 D C -1.776 174.616 176.300 0.153 0.000 1.149 114 D CA -2.093 51.986 54.000 0.131 0.000 0.850 114 D CB 1.824 42.683 40.800 0.097 0.000 1.061 114 D HN 0.152 nan 8.370 nan 0.000 0.487 115 P HA -0.157 nan 4.420 nan 0.000 0.216 115 P C 1.113 178.354 177.300 -0.098 0.000 1.154 115 P CA 1.258 64.188 63.100 -0.284 0.000 0.865 115 P CB 0.217 31.465 31.700 -0.753 0.000 0.789 116 R N -0.328 120.128 120.500 -0.073 0.000 2.193 116 R HA -0.070 4.270 4.340 -0.000 0.000 0.229 116 R C 1.447 177.928 176.300 0.303 0.000 1.110 116 R CA 1.052 57.167 56.100 0.027 0.000 0.988 116 R CB -0.353 29.940 30.300 -0.012 0.000 0.871 116 R HN 0.328 nan 8.270 nan 0.000 0.458 117 K N -0.115 120.489 120.400 0.340 0.000 2.387 117 K HA 0.134 4.454 4.320 -0.000 0.000 0.203 117 K C -0.297 176.585 176.600 0.469 0.000 1.030 117 K CA 0.080 56.637 56.287 0.450 0.000 1.099 117 K CB 1.379 34.039 32.500 0.268 0.000 0.863 117 K HN -0.073 nan 8.250 nan 0.000 0.529 118 T N 1.608 116.494 114.554 0.554 0.000 2.794 118 T HA 0.372 4.722 4.350 -0.000 0.000 0.280 118 T C -1.138 173.872 174.700 0.516 0.000 0.987 118 T CA -0.599 61.772 62.100 0.451 0.000 0.993 118 T CB 1.443 70.618 68.868 0.511 0.000 0.939 118 T HN -0.053 nan 8.240 nan 0.000 0.449 119 L N 4.712 125.989 121.223 0.090 0.000 2.333 119 L HA 0.708 5.048 4.340 -0.000 0.000 0.280 119 L C -1.027 175.652 176.870 -0.320 0.000 1.004 119 L CA -0.587 54.197 54.840 -0.092 0.000 0.820 119 L CB 1.437 43.175 42.059 -0.535 0.000 1.247 119 L HN 0.433 nan 8.230 nan 0.000 0.416 120 V N 5.246 125.071 119.914 -0.148 0.000 2.435 120 V HA 0.431 4.551 4.120 -0.000 0.000 0.290 120 V C -0.177 175.760 176.094 -0.261 0.000 1.030 120 V CA -0.606 61.544 62.300 -0.250 0.000 0.881 120 V CB 1.464 33.257 31.823 -0.050 0.000 0.983 120 V HN 0.860 nan 8.190 nan 0.000 0.445 121 N N 3.250 121.731 118.700 -0.366 0.000 2.524 121 N HA 0.570 5.310 4.740 -0.000 0.000 0.261 121 N C -0.433 175.060 175.510 -0.027 0.000 0.998 121 N CA -0.468 52.485 53.050 -0.162 0.000 0.915 121 N CB 1.281 39.668 38.487 -0.166 0.000 1.187 121 N HN 0.824 nan 8.380 nan 0.000 0.507 122 A N 3.526 126.370 122.820 0.040 0.000 2.302 122 A HA 0.424 4.744 4.320 -0.000 0.000 0.295 122 A C -0.353 177.289 177.584 0.097 0.000 1.235 122 A CA -0.345 51.729 52.037 0.060 0.000 0.876 122 A CB 0.373 19.425 19.000 0.086 0.000 1.133 122 A HN 0.432 nan 8.150 nan 0.000 0.533 123 V N 2.456 122.428 119.914 0.096 0.000 2.409 123 V HA 0.758 4.878 4.120 -0.000 0.000 0.291 123 V C 0.116 176.267 176.094 0.095 0.000 1.020 123 V CA -0.261 62.107 62.300 0.114 0.000 0.848 123 V CB 1.258 33.164 31.823 0.137 0.000 0.990 123 V HN 0.948 nan 8.190 nan 0.000 0.430 124 S N 3.324 119.080 115.700 0.094 0.000 2.582 124 S HA 0.321 4.791 4.470 -0.000 0.000 0.287 124 S C 0.344 174.994 174.600 0.082 0.000 1.146 124 S CA -0.611 57.636 58.200 0.080 0.000 0.941 124 S CB 1.781 65.020 63.200 0.064 0.000 1.115 124 S HN 0.830 nan 8.310 nan 0.000 0.458 125 K N 2.439 122.887 120.400 0.080 0.000 2.001 125 K HA -0.075 4.244 4.320 -0.000 0.000 0.208 125 K C 1.986 178.627 176.600 0.067 0.000 1.048 125 K CA 2.232 58.566 56.287 0.079 0.000 0.932 125 K CB -0.446 32.103 32.500 0.082 0.000 0.715 125 K HN 0.693 nan 8.250 nan 0.000 0.437 126 S N -1.016 114.720 115.700 0.059 0.000 2.428 126 S HA 0.034 4.503 4.470 -0.000 0.000 0.230 126 S C 1.561 176.191 174.600 0.051 0.000 1.014 126 S CA 0.985 59.215 58.200 0.051 0.000 0.957 126 S CB -0.192 63.034 63.200 0.044 0.000 0.784 126 S HN 0.638 nan 8.310 nan 0.000 0.499 127 G N 0.870 109.703 108.800 0.055 0.000 2.179 127 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.260 127 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.260 127 G C 0.785 175.708 174.900 0.039 0.000 0.977 127 G CA 0.811 45.944 45.100 0.055 0.000 0.641 127 G HN 1.570 nan 8.290 nan 0.000 0.533 128 S N -0.839 114.880 115.700 0.033 0.000 2.650 128 S HA 0.405 4.875 4.470 -0.000 0.000 0.240 128 S C 0.562 175.173 174.600 0.018 0.000 1.007 128 S CA 0.878 59.091 58.200 0.021 0.000 0.984 128 S CB 0.488 63.700 63.200 0.021 0.000 0.910 128 S HN 0.515 nan 8.310 nan 0.000 0.509 129 T N 3.234 117.803 114.554 0.024 0.000 2.831 129 T HA 0.370 4.720 4.350 -0.000 0.000 0.291 129 T C 1.669 176.377 174.700 0.013 0.000 0.981 129 T CA 0.487 62.600 62.100 0.022 0.000 1.174 129 T CB 0.768 69.654 68.868 0.030 0.000 0.929 129 T HN 0.522 nan 8.240 nan 0.000 0.532 130 A N 4.560 127.387 122.820 0.011 0.000 1.869 130 A HA -0.220 4.100 4.320 -0.000 0.000 0.218 130 A C 2.159 179.745 177.584 0.003 0.000 1.203 130 A CA 2.000 54.041 52.037 0.006 0.000 0.638 130 A CB -0.649 18.356 19.000 0.008 0.000 0.831 130 A HN 0.836 nan 8.150 nan 0.000 0.450 131 E N -0.740 119.464 120.200 0.008 0.000 2.085 131 E HA -0.125 4.225 4.350 -0.000 0.000 0.194 131 E C 2.089 178.686 176.600 -0.005 0.000 0.994 131 E CA 1.881 58.283 56.400 0.003 0.000 0.801 131 E CB -0.553 29.153 29.700 0.011 0.000 0.743 131 E HN 0.645 nan 8.360 nan 0.000 0.453 132 T N 0.633 115.188 114.554 0.003 0.000 2.857 132 T HA -0.017 4.332 4.350 -0.000 0.000 0.266 132 T C 1.825 176.521 174.700 -0.006 0.000 1.048 132 T CA 0.655 62.757 62.100 0.002 0.000 1.139 132 T CB -0.127 68.753 68.868 0.019 0.000 0.874 132 T HN 0.061 nan 8.240 nan 0.000 0.455 133 L N 0.694 121.910 121.223 -0.013 0.000 2.093 133 L HA -0.025 4.314 4.340 -0.000 0.000 0.208 133 L C 3.040 179.891 176.870 -0.033 0.000 1.085 133 L CA 1.071 55.890 54.840 -0.034 0.000 0.755 133 L CB -0.642 41.395 42.059 -0.036 0.000 0.904 133 L HN 0.245 nan 8.230 nan 0.000 0.435 134 A N 0.358 123.167 122.820 -0.019 0.000 1.873 134 A HA -0.109 4.210 4.320 -0.000 0.000 0.215 134 A C 2.398 179.983 177.584 0.001 0.000 1.186 134 A CA 1.691 53.719 52.037 -0.014 0.000 0.616 134 A CB -1.248 17.746 19.000 -0.010 0.000 0.823 134 A HN 0.421 nan 8.150 nan 0.000 0.442 135 G N -0.328 108.477 108.800 0.008 0.000 2.422 135 G HA2 -0.129 3.831 3.960 -0.000 0.000 0.218 135 G HA3 -0.129 3.831 3.960 -0.000 0.000 0.218 135 G C 1.490 176.462 174.900 0.119 0.000 1.146 135 G CA 1.213 46.345 45.100 0.053 0.000 0.769 135 G HN 0.489 nan 8.290 nan 0.000 0.547 136 L N 1.278 122.533 121.223 0.054 0.000 2.056 136 L HA 0.226 4.566 4.340 -0.000 0.000 0.207 136 L C 3.038 179.942 176.870 0.056 0.000 1.078 136 L CA 2.002 56.880 54.840 0.063 0.000 0.749 136 L CB -0.699 41.356 42.059 -0.006 0.000 0.901 136 L HN 0.219 nan 8.230 nan 0.000 0.433 137 A N -0.890 121.927 122.820 -0.006 0.000 1.883 137 A HA -0.184 4.136 4.320 -0.000 0.000 0.217 137 A C 2.259 179.842 177.584 -0.001 0.000 1.186 137 A CA 2.287 54.303 52.037 -0.036 0.000 0.624 137 A CB -1.222 17.748 19.000 -0.050 0.000 0.822 137 A HN 0.307 nan 8.150 nan 0.000 0.444 138 V N -1.536 118.387 119.914 0.016 0.000 2.295 138 V HA -0.250 3.870 4.120 -0.000 0.000 0.246 138 V C 2.320 178.395 176.094 -0.031 0.000 1.049 138 V CA 2.185 64.468 62.300 -0.029 0.000 1.024 138 V CB -0.955 30.829 31.823 -0.065 0.000 0.648 138 V HN 0.551 nan 8.190 nan 0.000 0.447 139 F N -0.624 119.325 119.950 -0.000 0.000 2.234 139 F HA -0.077 4.450 4.527 -0.000 0.000 0.299 139 F C 2.143 178.050 175.800 0.178 0.000 1.087 139 F CA 1.220 59.273 58.000 0.088 0.000 1.340 139 F CB -0.321 38.709 39.000 0.050 0.000 1.031 139 F HN 0.028 nan 8.300 nan 0.000 0.500 140 L N 0.070 121.426 121.223 0.222 0.000 2.012 140 L HA -0.298 4.042 4.340 -0.000 0.000 0.210 140 L C 2.630 179.478 176.870 -0.036 0.000 1.073 140 L CA 1.650 56.536 54.840 0.077 0.000 0.748 140 L CB -0.529 41.521 42.059 -0.016 0.000 0.891 140 L HN 0.092 nan 8.230 nan 0.000 0.431 141 K N -0.714 119.670 120.400 -0.026 0.000 2.063 141 K HA -0.286 4.034 4.320 -0.000 0.000 0.208 141 K C 2.092 178.675 176.600 -0.027 0.000 1.048 141 K CA 2.084 58.330 56.287 -0.068 0.000 0.928 141 K CB -0.390 32.081 32.500 -0.048 0.000 0.713 141 K HN 0.309 nan 8.250 nan 0.000 0.442 142 W N 1.652 122.865 121.300 -0.146 0.000 2.355 142 W HA -0.175 4.485 4.660 -0.000 0.000 0.309 142 W C 1.637 178.143 176.519 -0.022 0.000 1.206 142 W CA 1.498 58.785 57.345 -0.097 0.000 1.284 142 W CB -0.376 28.988 29.460 -0.159 0.000 1.145 142 W HN 0.019 nan 8.180 nan 0.000 0.502 143 L N 0.549 121.872 121.223 0.165 0.000 2.017 143 L HA -0.259 4.081 4.340 -0.000 0.000 0.208 143 L C 2.550 179.349 176.870 -0.118 0.000 1.073 143 L CA 1.875 56.726 54.840 0.018 0.000 0.745 143 L CB -0.990 41.234 42.059 0.275 0.000 0.894 143 L HN -0.061 nan 8.230 nan 0.000 0.432 144 K N 0.032 120.298 120.400 -0.224 0.000 2.057 144 K HA -0.153 4.167 4.320 -0.000 0.000 0.207 144 K C 2.205 178.650 176.600 -0.257 0.000 1.049 144 K CA 1.426 57.519 56.287 -0.324 0.000 0.931 144 K CB -0.290 31.905 32.500 -0.508 0.000 0.714 144 K HN 0.290 nan 8.250 nan 0.000 0.440 145 A N 1.094 123.709 122.820 -0.342 0.000 1.969 145 A HA -0.154 4.166 4.320 -0.000 0.000 0.218 145 A C 1.543 178.799 177.584 -0.547 0.000 1.169 145 A CA 1.302 53.065 52.037 -0.457 0.000 0.635 145 A CB -0.408 18.241 19.000 -0.586 0.000 0.810 145 A HN 0.292 nan 8.150 nan 0.000 0.445 146 H N -1.719 117.164 119.070 -0.311 0.000 2.648 146 H HA 0.330 4.886 4.556 -0.000 0.000 0.265 146 H C 1.255 176.409 175.328 -0.290 0.000 0.961 146 H CA 0.497 56.340 56.048 -0.341 0.000 1.185 146 H CB 0.359 29.785 29.762 -0.559 0.000 1.449 146 H HN 0.420 nan 8.280 nan 0.000 0.523 147 L N -1.027 120.099 121.223 -0.162 0.000 2.781 147 L HA 0.268 4.607 4.340 -0.000 0.000 0.245 147 L C 1.458 178.307 176.870 -0.035 0.000 1.118 147 L CA 0.358 55.114 54.840 -0.140 0.000 0.918 147 L CB 0.658 42.584 42.059 -0.222 0.000 1.246 147 L HN 0.296 nan 8.230 nan 0.000 0.526 148 G N 1.022 109.819 108.800 -0.005 0.000 2.583 148 G HA2 -0.345 3.615 3.960 -0.000 0.000 0.292 148 G HA3 -0.345 3.615 3.960 -0.000 0.000 0.292 148 G C 0.720 175.740 174.900 0.200 0.000 1.203 148 G CA 0.382 45.514 45.100 0.053 0.000 0.987 148 G HN 0.212 nan 8.290 nan 0.000 0.554 149 E N 0.660 120.934 120.200 0.123 0.000 2.409 149 E HA -0.042 4.308 4.350 -0.000 0.000 0.198 149 E C 1.804 178.407 176.600 0.005 0.000 1.024 149 E CA 1.252 57.715 56.400 0.105 0.000 0.861 149 E CB -0.178 29.540 29.700 0.030 0.000 0.788 149 E HN 0.532 nan 8.360 nan 0.000 0.521 150 D N 0.022 120.433 120.400 0.018 0.000 2.328 150 D HA -0.057 4.583 4.640 -0.000 0.000 0.221 150 D C 1.706 178.032 176.300 0.044 0.000 1.072 150 D CA -0.051 53.934 54.000 -0.025 0.000 0.850 150 D CB -0.075 40.704 40.800 -0.035 0.000 0.922 150 D HN 0.283 nan 8.370 nan 0.000 0.516 151 W N 0.604 121.899 121.300 -0.008 0.000 2.358 151 W HA -0.130 4.530 4.660 -0.000 0.000 0.303 151 W C 1.249 177.847 176.519 0.131 0.000 1.208 151 W CA 0.236 57.595 57.345 0.024 0.000 1.274 151 W CB -0.879 28.583 29.460 0.004 0.000 1.138 151 W HN -0.061 nan 8.180 nan 0.000 0.515 152 R N 0.729 120.697 120.500 -0.888 0.000 2.139 152 R HA -0.179 4.161 4.340 -0.000 0.000 0.243 152 R C 2.510 178.682 176.300 -0.214 0.000 1.145 152 R CA 2.031 57.614 56.100 -0.861 0.000 0.976 152 R CB -0.622 29.086 30.300 -0.987 0.000 0.866 152 R HN 0.211 nan 8.270 nan 0.000 0.449 153 R N 0.182 120.640 120.500 -0.069 0.000 2.235 153 R HA -0.079 4.261 4.340 -0.000 0.000 0.213 153 R C 1.107 177.490 176.300 0.139 0.000 1.059 153 R CA 0.978 57.100 56.100 0.036 0.000 0.997 153 R CB 0.087 30.359 30.300 -0.046 0.000 0.884 153 R HN 0.451 nan 8.270 nan 0.000 0.462 154 H N -0.899 118.270 119.070 0.164 0.000 2.539 154 H HA 0.063 4.619 4.556 -0.000 0.000 0.269 154 H C -0.512 174.972 175.328 0.260 0.000 0.980 154 H CA 0.026 56.253 56.048 0.297 0.000 1.152 154 H CB 0.605 30.517 29.762 0.251 0.000 1.407 154 H HN 0.020 nan 8.280 nan 0.000 0.564 155 L N 1.280 122.690 121.223 0.312 0.000 2.372 155 L HA 0.392 4.732 4.340 -0.000 0.000 0.274 155 L C -1.131 175.849 176.870 0.183 0.000 0.988 155 L CA -0.744 54.254 54.840 0.263 0.000 0.833 155 L CB 1.992 44.288 42.059 0.395 0.000 1.236 155 L HN -0.177 nan 8.230 nan 0.000 0.410 156 V N 6.258 126.256 119.914 0.141 0.000 2.604 156 V HA 0.759 4.879 4.120 -0.000 0.000 0.305 156 V C -1.115 175.056 176.094 0.128 0.000 1.043 156 V CA -0.393 61.980 62.300 0.120 0.000 0.888 156 V CB 2.329 34.250 31.823 0.163 0.000 0.995 156 V HN 0.552 nan 8.190 nan 0.000 0.429 157 V N 4.942 124.928 119.914 0.120 0.000 2.581 157 V HA 0.612 4.732 4.120 -0.000 0.000 0.303 157 V C 0.042 176.240 176.094 0.173 0.000 1.041 157 V CA -0.365 62.022 62.300 0.145 0.000 0.907 157 V CB 2.200 34.110 31.823 0.145 0.000 0.994 157 V HN 0.966 nan 8.190 nan 0.000 0.442 158 T N 3.047 117.708 114.554 0.179 0.000 2.864 158 T HA 0.634 4.983 4.350 -0.000 0.000 0.299 158 T C -0.320 174.468 174.700 0.146 0.000 1.011 158 T CA -0.281 61.938 62.100 0.197 0.000 0.975 158 T CB 1.277 70.265 68.868 0.199 0.000 0.962 158 T HN 0.879 nan 8.240 nan 0.000 0.448 159 T N 1.808 116.440 114.554 0.130 0.000 2.711 159 T HA 0.347 4.697 4.350 -0.000 0.000 0.302 159 T C -1.466 173.288 174.700 0.090 0.000 1.373 159 T CA -0.697 61.466 62.100 0.105 0.000 1.000 159 T CB 1.520 70.447 68.868 0.098 0.000 1.483 159 T HN 0.624 nan 8.240 nan 0.000 0.499 160 D N 1.542 121.987 120.400 0.076 0.000 2.478 160 D HA 0.122 4.762 4.640 -0.000 0.000 0.234 160 D C -1.053 175.280 176.300 0.055 0.000 1.154 160 D CA -0.902 53.136 54.000 0.062 0.000 0.874 160 D CB 1.091 41.923 40.800 0.053 0.000 1.198 160 D HN 0.191 nan 8.370 nan 0.000 0.455 161 P HA -0.122 nan 4.420 nan 0.000 0.223 161 P C 0.117 177.433 177.300 0.026 0.000 1.151 161 P CA 1.495 64.615 63.100 0.034 0.000 0.787 161 P CB 0.331 32.047 31.700 0.028 0.000 0.788 162 K N -2.087 118.330 120.400 0.028 0.000 2.548 162 K HA 0.151 4.471 4.320 -0.000 0.000 0.209 162 K C 0.631 177.249 176.600 0.030 0.000 1.420 162 K CA -0.054 56.248 56.287 0.025 0.000 0.985 162 K CB 0.706 33.217 32.500 0.018 0.000 1.249 162 K HN 0.031 nan 8.250 nan 0.000 0.557 163 E N 0.895 121.115 120.200 0.034 0.000 2.250 163 E HA 0.451 4.801 4.350 -0.000 0.000 0.265 163 E C 0.369 176.997 176.600 0.046 0.000 1.033 163 E CA -0.177 56.245 56.400 0.037 0.000 0.888 163 E CB 1.221 30.941 29.700 0.033 0.000 1.151 163 E HN 0.259 nan 8.360 nan 0.000 0.412 164 G N 1.875 110.702 108.800 0.045 0.000 2.712 164 G HA2 -0.152 3.808 3.960 -0.000 0.000 0.686 164 G HA3 -0.152 3.808 3.960 -0.000 0.000 0.686 164 G C -1.930 173.008 174.900 0.063 0.000 1.321 164 G CA -0.346 44.785 45.100 0.051 0.000 0.813 164 G HN 0.393 nan 8.290 nan 0.000 0.599 165 P HA -0.027 nan 4.420 nan 0.000 0.221 165 P C 2.182 179.556 177.300 0.123 0.000 1.150 165 P CA 0.951 64.098 63.100 0.078 0.000 0.800 165 P CB 0.194 31.920 31.700 0.043 0.000 0.787 166 L N -0.656 120.633 121.223 0.111 0.000 2.093 166 L HA -0.109 4.231 4.340 -0.000 0.000 0.208 166 L C 2.995 179.975 176.870 0.184 0.000 1.085 166 L CA 1.164 56.102 54.840 0.162 0.000 0.755 166 L CB -0.551 41.582 42.059 0.122 0.000 0.904 166 L HN -0.048 nan 8.230 nan 0.000 0.435 167 R N 0.812 121.387 120.500 0.124 0.000 2.073 167 R HA -0.118 4.222 4.340 -0.000 0.000 0.234 167 R C 2.161 178.518 176.300 0.096 0.000 1.134 167 R CA 1.854 58.010 56.100 0.094 0.000 0.952 167 R CB -0.731 29.608 30.300 0.066 0.000 0.850 167 R HN 0.281 nan 8.270 nan 0.000 0.433 168 A N -0.324 122.563 122.820 0.112 0.000 1.902 168 A HA -0.127 4.193 4.320 -0.000 0.000 0.217 168 A C 2.179 179.849 177.584 0.144 0.000 1.181 168 A CA 1.428 53.529 52.037 0.107 0.000 0.623 168 A CB -0.892 18.172 19.000 0.106 0.000 0.818 168 A HN 0.475 nan 8.150 nan 0.000 0.443 169 F N 1.004 120.984 119.950 0.050 0.000 2.134 169 F HA -0.052 4.475 4.527 -0.000 0.000 0.299 169 F C 2.490 178.335 175.800 0.075 0.000 1.097 169 F CA 1.001 59.043 58.000 0.070 0.000 1.264 169 F CB -0.464 38.585 39.000 0.082 0.000 1.001 169 F HN 0.243 nan 8.300 nan 0.000 0.479 170 A N 0.002 122.851 122.820 0.048 0.000 1.898 170 A HA -0.175 4.145 4.320 -0.000 0.000 0.216 170 A C 2.131 179.646 177.584 -0.114 0.000 1.181 170 A CA 1.795 53.795 52.037 -0.061 0.000 0.620 170 A CB -0.782 18.235 19.000 0.029 0.000 0.819 170 A HN 0.545 nan 8.150 nan 0.000 0.442 171 E N -0.803 119.362 120.200 -0.059 0.000 2.107 171 E HA -0.162 4.188 4.350 -0.000 0.000 0.191 171 E C 2.288 178.840 176.600 -0.080 0.000 0.982 171 E CA 0.897 57.261 56.400 -0.060 0.000 0.809 171 E CB -0.194 29.493 29.700 -0.023 0.000 0.756 171 E HN 0.617 nan 8.360 nan 0.000 0.459 172 R N 1.160 121.607 120.500 -0.088 0.000 2.081 172 R HA -0.138 4.202 4.340 -0.000 0.000 0.235 172 R C 1.490 177.706 176.300 -0.140 0.000 1.131 172 R CA 1.242 57.291 56.100 -0.085 0.000 0.960 172 R CB 0.150 30.423 30.300 -0.045 0.000 0.856 172 R HN 0.027 nan 8.270 nan 0.000 0.436 173 E N -0.563 119.477 120.200 -0.267 0.000 2.478 173 E HA 0.063 4.413 4.350 -0.000 0.000 0.194 173 E C 0.586 177.039 176.600 -0.245 0.000 1.045 173 E CA 0.724 56.962 56.400 -0.270 0.000 0.868 173 E CB 0.630 30.070 29.700 -0.434 0.000 0.885 173 E HN 0.619 nan 8.360 nan 0.000 0.505 174 G N 1.967 110.651 108.800 -0.194 0.000 2.272 174 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.280 174 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.280 174 G C 0.072 174.864 174.900 -0.181 0.000 1.067 174 G CA 0.233 45.236 45.100 -0.162 0.000 0.902 174 G HN 0.162 nan 8.290 nan 0.000 0.500 175 L N -0.839 120.278 121.223 -0.177 0.000 2.379 175 L HA 0.570 4.910 4.340 -0.000 0.000 0.269 175 L C 0.864 177.664 176.870 -0.115 0.000 1.084 175 L CA -1.282 53.474 54.840 -0.139 0.000 0.802 175 L CB 1.073 43.075 42.059 -0.095 0.000 1.175 175 L HN 0.102 nan 8.230 nan 0.000 0.448 176 K N 1.951 122.288 120.400 -0.105 0.000 2.382 176 K HA 0.511 4.831 4.320 -0.000 0.000 0.275 176 K C -0.794 175.659 176.600 -0.245 0.000 1.009 176 K CA 0.185 56.343 56.287 -0.215 0.000 0.970 176 K CB 0.889 33.230 32.500 -0.264 0.000 0.934 176 K HN 0.681 nan 8.250 nan 0.000 0.479 177 A N 3.894 126.494 122.820 -0.365 0.000 2.486 177 A HA 0.704 5.024 4.320 -0.000 0.000 0.300 177 A C -1.621 175.717 177.584 -0.411 0.000 1.048 177 A CA -0.725 51.165 52.037 -0.245 0.000 0.696 177 A CB 0.590 19.530 19.000 -0.100 0.000 1.278 177 A HN 0.526 nan 8.150 nan 0.000 0.405 178 F N 0.686 120.617 119.950 -0.033 0.000 2.556 178 F HA 0.738 5.265 4.527 -0.000 0.000 0.327 178 F C 0.719 176.530 175.800 0.018 0.000 1.059 178 F CA -0.196 57.796 58.000 -0.012 0.000 0.953 178 F CB 2.352 41.351 39.000 -0.001 0.000 1.227 178 F HN 0.753 nan 8.300 nan 0.000 0.478 179 A N 2.715 125.671 122.820 0.227 0.000 2.317 179 A HA 0.762 5.082 4.320 -0.000 0.000 0.327 179 A C -0.802 176.861 177.584 0.131 0.000 1.178 179 A CA -0.581 51.540 52.037 0.139 0.000 0.817 179 A CB 0.434 19.488 19.000 0.090 0.000 1.189 179 A HN 0.699 nan 8.150 nan 0.000 0.489 180 I N 3.464 124.100 120.570 0.109 0.000 2.312 180 I HA 0.247 4.417 4.170 -0.000 0.000 0.290 180 I C -2.188 173.975 176.117 0.078 0.000 1.008 180 I CA -2.045 59.315 61.300 0.100 0.000 1.226 180 I CB 1.744 39.806 38.000 0.102 0.000 1.371 180 I HN 0.418 nan 8.210 nan 0.000 0.468 181 P HA -0.055 nan 4.420 nan 0.000 0.265 181 P C 0.622 177.941 177.300 0.032 0.000 1.187 181 P CA 0.010 63.135 63.100 0.041 0.000 0.766 181 P CB 0.665 32.382 31.700 0.028 0.000 0.820 182 K N 3.063 123.473 120.400 0.017 0.000 2.074 182 K HA -0.227 4.093 4.320 -0.000 0.000 0.209 182 K C 0.957 177.553 176.600 -0.005 0.000 1.048 182 K CA 1.523 57.816 56.287 0.009 0.000 0.926 182 K CB -0.030 32.469 32.500 -0.002 0.000 0.713 182 K HN 0.382 nan 8.250 nan 0.000 0.444 183 E N 0.577 120.756 120.200 -0.034 0.000 2.494 183 E HA 0.006 4.356 4.350 -0.000 0.000 0.193 183 E C -0.526 176.036 176.600 -0.063 0.000 1.074 183 E CA 0.190 56.542 56.400 -0.079 0.000 0.867 183 E CB 0.448 30.066 29.700 -0.137 0.000 0.924 183 E HN 0.045 nan 8.360 nan 0.000 0.502 184 V N 1.095 121.020 119.914 0.017 0.000 2.313 184 V HA 0.372 4.492 4.120 -0.000 0.000 0.278 184 V C 0.743 176.923 176.094 0.144 0.000 1.017 184 V CA -0.764 61.598 62.300 0.104 0.000 0.823 184 V CB 1.309 33.208 31.823 0.126 0.000 1.010 184 V HN 0.095 nan 8.190 nan 0.000 0.443 185 G N 3.099 112.016 108.800 0.195 0.000 2.569 185 G HA2 0.412 4.371 3.960 -0.000 0.000 0.249 185 G HA3 0.412 4.371 3.960 -0.000 0.000 0.249 185 G C 1.138 176.185 174.900 0.246 0.000 1.216 185 G CA 0.202 45.436 45.100 0.224 0.000 0.845 185 G HN 0.883 nan 8.290 nan 0.000 0.568 186 G N 1.024 109.928 108.800 0.174 0.000 2.529 186 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.219 186 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.219 186 G C 1.719 176.686 174.900 0.113 0.000 1.177 186 G CA 1.103 46.282 45.100 0.132 0.000 0.773 186 G HN 0.792 nan 8.290 nan 0.000 0.573 187 R N -0.713 119.817 120.500 0.050 0.000 2.328 187 R HA 0.178 4.518 4.340 -0.000 0.000 0.207 187 R C 1.051 177.185 176.300 -0.277 0.000 1.056 187 R CA 0.788 56.790 56.100 -0.164 0.000 1.016 187 R CB -0.368 29.712 30.300 -0.367 0.000 0.872 187 R HN 0.395 nan 8.270 nan 0.000 0.471 188 F N 1.116 121.063 119.950 -0.005 0.000 2.668 188 F HA 0.195 4.722 4.527 -0.000 0.000 0.301 188 F C 1.386 177.262 175.800 0.127 0.000 1.106 188 F CA -0.283 57.708 58.000 -0.014 0.000 1.289 188 F CB 1.073 39.986 39.000 -0.145 0.000 1.006 188 F HN 0.091 nan 8.300 nan 0.000 0.535 189 S N -0.801 115.058 115.700 0.266 0.000 2.577 189 S HA 0.242 4.712 4.470 -0.000 0.000 0.219 189 S C 2.012 176.718 174.600 0.175 0.000 0.962 189 S CA 0.353 58.683 58.200 0.217 0.000 0.921 189 S CB -0.031 63.273 63.200 0.174 0.000 0.789 189 S HN 0.174 nan 8.310 nan 0.000 0.497 190 A N 2.285 125.221 122.820 0.192 0.000 1.948 190 A HA 0.087 4.407 4.320 -0.000 0.000 0.220 190 A C 1.912 179.526 177.584 0.051 0.000 1.177 190 A CA 1.296 53.389 52.037 0.094 0.000 0.636 190 A CB -0.710 18.289 19.000 -0.002 0.000 0.815 190 A HN 0.636 nan 8.150 nan 0.000 0.449 191 L N 0.453 121.728 121.223 0.086 0.000 2.629 191 L HA 0.101 4.441 4.340 -0.000 0.000 0.230 191 L C 1.179 178.088 176.870 0.064 0.000 1.151 191 L CA 0.145 55.023 54.840 0.063 0.000 0.924 191 L CB -0.513 41.595 42.059 0.082 0.000 1.137 191 L HN 0.506 nan 8.230 nan 0.000 0.457 192 S N -1.141 114.605 115.700 0.076 0.000 2.690 192 S HA 0.401 4.871 4.470 -0.000 0.000 0.285 192 S C -1.855 172.764 174.600 0.032 0.000 1.135 192 S CA -1.146 57.095 58.200 0.068 0.000 1.020 192 S CB 0.918 64.175 63.200 0.095 0.000 1.159 192 S HN -0.191 nan 8.310 nan 0.000 0.534 193 P HA -0.030 nan 4.420 nan 0.000 0.223 193 P C 1.475 178.760 177.300 -0.025 0.000 1.144 193 P CA 0.533 63.590 63.100 -0.073 0.000 0.783 193 P CB -0.227 31.422 31.700 -0.085 0.000 0.771 194 V N -0.255 119.688 119.914 0.047 0.000 2.278 194 V HA -0.250 3.870 4.120 -0.000 0.000 0.251 194 V C 2.383 178.512 176.094 0.057 0.000 1.062 194 V CA 2.676 65.025 62.300 0.080 0.000 1.038 194 V CB -1.573 30.310 31.823 0.101 0.000 0.646 194 V HN 0.236 nan 8.190 nan 0.000 0.447 195 G N -1.661 107.153 108.800 0.023 0.000 2.608 195 G HA2 0.049 4.009 3.960 -0.000 0.000 0.210 195 G HA3 0.049 4.009 3.960 -0.000 0.000 0.210 195 G C 1.463 176.339 174.900 -0.041 0.000 1.139 195 G CA 0.097 45.190 45.100 -0.012 0.000 0.812 195 G HN 0.424 nan 8.290 nan 0.000 0.529 196 L N 0.030 121.225 121.223 -0.047 0.000 2.046 196 L HA -0.018 4.322 4.340 -0.000 0.000 0.208 196 L C 2.648 179.466 176.870 -0.087 0.000 1.077 196 L CA 0.528 55.326 54.840 -0.071 0.000 0.747 196 L CB -0.455 41.556 42.059 -0.079 0.000 0.896 196 L HN 0.208 nan 8.230 nan 0.000 0.432 197 L N 1.090 122.246 121.223 -0.111 0.000 1.970 197 L HA -0.099 4.241 4.340 -0.000 0.000 0.212 197 L C -0.331 176.602 176.870 0.106 0.000 1.071 197 L CA 2.174 56.996 54.840 -0.030 0.000 0.751 197 L CB -1.651 40.380 42.059 -0.048 0.000 0.889 197 L HN 0.067 nan 8.230 nan 0.000 0.432 198 P HA -0.198 nan 4.420 nan 0.000 0.217 198 P C 2.249 179.456 177.300 -0.154 0.000 1.150 198 P CA 1.618 64.512 63.100 -0.343 0.000 0.832 198 P CB -0.077 31.384 31.700 -0.399 0.000 0.787 199 L N -0.738 120.410 121.223 -0.126 0.000 2.131 199 L HA -0.150 4.190 4.340 -0.000 0.000 0.210 199 L C 2.726 179.578 176.870 -0.030 0.000 1.092 199 L CA 1.374 56.161 54.840 -0.088 0.000 0.759 199 L CB -0.941 41.081 42.059 -0.062 0.000 0.903 199 L HN -0.035 nan 8.230 nan 0.000 0.435 200 A N -0.064 122.737 122.820 -0.031 0.000 1.858 200 A HA -0.228 4.092 4.320 -0.000 0.000 0.216 200 A C 1.938 179.444 177.584 -0.130 0.000 1.190 200 A CA 1.519 53.495 52.037 -0.102 0.000 0.617 200 A CB -0.880 18.025 19.000 -0.158 0.000 0.827 200 A HN 0.329 nan 8.150 nan 0.000 0.443 201 F N 0.003 119.960 119.950 0.011 0.000 2.451 201 F HA 0.006 4.533 4.527 -0.000 0.000 0.299 201 F C 2.457 178.330 175.800 0.122 0.000 1.101 201 F CA 0.841 58.864 58.000 0.038 0.000 1.436 201 F CB -0.048 38.964 39.000 0.019 0.000 1.074 201 F HN 0.258 nan 8.300 nan 0.000 0.553 202 A N -0.414 122.576 122.820 0.283 0.000 2.251 202 A HA 0.398 4.718 4.320 -0.000 0.000 0.209 202 A C 1.979 179.626 177.584 0.104 0.000 1.187 202 A CA 0.702 52.875 52.037 0.226 0.000 0.823 202 A CB -1.029 17.985 19.000 0.023 0.000 0.846 202 A HN 0.511 nan 8.150 nan 0.000 0.486 203 G N -1.458 107.367 108.800 0.043 0.000 2.176 203 G HA2 0.064 4.024 3.960 -0.000 0.000 0.252 203 G HA3 0.064 4.024 3.960 -0.000 0.000 0.252 203 G C 0.399 175.297 174.900 -0.003 0.000 1.024 203 G CA 0.532 45.633 45.100 0.001 0.000 0.755 203 G HN 1.510 nan 8.290 nan 0.000 0.507 204 A N -0.572 122.243 122.820 -0.008 0.000 2.271 204 A HA 0.608 4.928 4.320 -0.000 0.000 0.288 204 A C 0.376 177.911 177.584 -0.082 0.000 1.094 204 A CA 0.174 52.190 52.037 -0.035 0.000 0.828 204 A CB 0.611 19.603 19.000 -0.012 0.000 1.091 204 A HN 0.364 nan 8.150 nan 0.000 0.493 205 D N 1.536 121.858 120.400 -0.130 0.000 2.435 205 D HA 0.258 4.897 4.640 -0.000 0.000 0.230 205 D C 1.117 177.346 176.300 -0.118 0.000 1.215 205 D CA -0.024 53.909 54.000 -0.113 0.000 0.947 205 D CB -0.138 40.595 40.800 -0.112 0.000 1.048 205 D HN 0.423 nan 8.370 nan 0.000 0.512 206 L N 2.148 123.320 121.223 -0.084 0.000 2.042 206 L HA -0.172 4.168 4.340 -0.000 0.000 0.210 206 L C 1.530 178.374 176.870 -0.044 0.000 1.076 206 L CA 1.171 55.971 54.840 -0.067 0.000 0.749 206 L CB -0.338 41.691 42.059 -0.051 0.000 0.893 206 L HN 0.275 nan 8.230 nan 0.000 0.432 207 D N 0.676 121.057 120.400 -0.032 0.000 2.104 207 D HA -0.198 4.442 4.640 -0.000 0.000 0.194 207 D C 2.272 178.580 176.300 0.012 0.000 0.994 207 D CA 1.529 55.524 54.000 -0.009 0.000 0.830 207 D CB -0.113 40.681 40.800 -0.009 0.000 0.959 207 D HN 0.357 nan 8.370 nan 0.000 0.452 208 A N 0.259 123.080 122.820 0.001 0.000 1.930 208 A HA -0.105 4.215 4.320 -0.000 0.000 0.217 208 A C 2.036 179.661 177.584 0.068 0.000 1.175 208 A CA 0.824 52.898 52.037 0.062 0.000 0.627 208 A CB -0.696 18.309 19.000 0.009 0.000 0.815 208 A HN 0.231 nan 8.150 nan 0.000 0.443 209 L N -0.103 121.101 121.223 -0.032 0.000 2.017 209 L HA -0.127 4.213 4.340 -0.000 0.000 0.208 209 L C 2.292 179.159 176.870 -0.005 0.000 1.073 209 L CA 1.798 56.611 54.840 -0.046 0.000 0.745 209 L CB -0.389 41.621 42.059 -0.082 0.000 0.894 209 L HN 0.413 nan 8.230 nan 0.000 0.432 210 L N -1.615 119.611 121.223 0.005 0.000 2.141 210 L HA -0.191 4.149 4.340 -0.000 0.000 0.209 210 L C 2.527 179.404 176.870 0.013 0.000 1.094 210 L CA 1.219 56.068 54.840 0.014 0.000 0.763 210 L CB -0.505 41.563 42.059 0.016 0.000 0.908 210 L HN 0.347 nan 8.230 nan 0.000 0.437 211 M N -0.281 119.347 119.600 0.047 0.000 2.117 211 M HA -0.120 4.360 4.480 -0.000 0.000 0.262 211 M C 2.355 178.639 176.300 -0.026 0.000 1.065 211 M CA 1.965 57.314 55.300 0.082 0.000 1.114 211 M CB -0.875 31.856 32.600 0.218 0.000 1.361 211 M HN 0.335 nan 8.290 nan 0.000 0.408 212 G N -0.089 108.642 108.800 -0.116 0.000 2.422 212 G HA2 -0.121 3.839 3.960 -0.000 0.000 0.218 212 G HA3 -0.121 3.839 3.960 -0.000 0.000 0.218 212 G C 1.625 176.340 174.900 -0.308 0.000 1.146 212 G CA 0.948 45.775 45.100 -0.456 0.000 0.769 212 G HN 0.539 nan 8.290 nan 0.000 0.547 213 A N 0.534 123.284 122.820 -0.116 0.000 1.930 213 A HA 0.021 4.341 4.320 -0.000 0.000 0.217 213 A C 2.301 179.833 177.584 -0.087 0.000 1.175 213 A CA 1.747 53.764 52.037 -0.034 0.000 0.627 213 A CB -0.425 18.611 19.000 0.060 0.000 0.815 213 A HN 0.359 nan 8.150 nan 0.000 0.443 214 R N -0.332 120.101 120.500 -0.111 0.000 2.096 214 R HA -0.146 4.194 4.340 -0.000 0.000 0.235 214 R C 1.853 177.999 176.300 -0.257 0.000 1.127 214 R CA 1.525 57.561 56.100 -0.107 0.000 0.968 214 R CB -0.101 30.160 30.300 -0.065 0.000 0.861 214 R HN 0.272 nan 8.270 nan 0.000 0.440 215 K N 0.264 120.366 120.400 -0.498 0.000 2.057 215 K HA -0.102 4.218 4.320 -0.000 0.000 0.207 215 K C 1.989 178.008 176.600 -0.969 0.000 1.049 215 K CA 1.464 57.223 56.287 -0.880 0.000 0.931 215 K CB -0.509 31.010 32.500 -1.635 0.000 0.714 215 K HN 0.259 nan 8.250 nan 0.000 0.440 216 A N 2.221 124.474 122.820 -0.944 0.000 1.902 216 A HA -0.208 4.112 4.320 -0.000 0.000 0.217 216 A C 1.969 179.418 177.584 -0.225 0.000 1.181 216 A CA 1.750 53.527 52.037 -0.434 0.000 0.623 216 A CB -0.518 18.476 19.000 -0.010 0.000 0.818 216 A HN 0.280 nan 8.150 nan 0.000 0.443 217 N N 0.057 118.697 118.700 -0.099 0.000 2.149 217 N HA -0.157 4.583 4.740 -0.000 0.000 0.188 217 N C 1.638 177.004 175.510 -0.241 0.000 1.019 217 N CA 1.656 54.673 53.050 -0.055 0.000 0.857 217 N CB -0.421 38.137 38.487 0.119 0.000 0.997 217 N HN 0.691 nan 8.380 nan 0.000 0.426 218 E N -0.405 119.670 120.200 -0.209 0.000 2.051 218 E HA -0.154 4.196 4.350 -0.000 0.000 0.192 218 E C 1.972 178.477 176.600 -0.158 0.000 0.991 218 E CA 1.786 58.086 56.400 -0.166 0.000 0.799 218 E CB -0.203 29.407 29.700 -0.151 0.000 0.748 218 E HN 0.579 nan 8.360 nan 0.000 0.449 219 T N -0.680 113.787 114.554 -0.147 0.000 2.833 219 T HA -0.091 4.259 4.350 -0.000 0.000 0.269 219 T C 2.045 176.663 174.700 -0.138 0.000 1.054 219 T CA 1.096 63.172 62.100 -0.039 0.000 1.135 219 T CB -0.246 68.714 68.868 0.152 0.000 0.869 219 T HN 0.154 nan 8.240 nan 0.000 0.466 220 A N 1.059 123.651 122.820 -0.379 0.000 2.019 220 A HA 0.227 4.547 4.320 -0.000 0.000 0.219 220 A C 2.256 179.638 177.584 -0.336 0.000 1.164 220 A CA 0.907 52.605 52.037 -0.566 0.000 0.644 220 A CB -0.493 17.365 19.000 -1.904 0.000 0.805 220 A HN 0.508 nan 8.150 nan 0.000 0.449 221 L N -1.269 119.789 121.223 -0.275 0.000 2.640 221 L HA 0.287 4.627 4.340 -0.000 0.000 0.230 221 L C 1.295 178.115 176.870 -0.083 0.000 1.123 221 L CA 0.624 55.378 54.840 -0.143 0.000 0.900 221 L CB -1.139 40.850 42.059 -0.117 0.000 1.146 221 L HN 0.404 nan 8.230 nan 0.000 0.484 222 A N 0.799 123.573 122.820 -0.076 0.000 2.296 222 A HA 0.461 4.780 4.320 -0.000 0.000 0.264 222 A C -2.087 175.479 177.584 -0.030 0.000 1.097 222 A CA -0.893 51.123 52.037 -0.035 0.000 0.811 222 A CB -0.514 18.481 19.000 -0.007 0.000 1.072 222 A HN 0.025 nan 8.150 nan 0.000 0.495 223 P HA 0.029 nan 4.420 nan 0.000 0.267 223 P C 1.067 178.358 177.300 -0.017 0.000 1.200 223 P CA -0.333 62.757 63.100 -0.016 0.000 0.772 223 P CB 0.353 32.050 31.700 -0.004 0.000 0.855 224 L N 3.019 124.224 121.223 -0.029 0.000 2.010 224 L HA -0.268 4.072 4.340 -0.000 0.000 0.219 224 L C 1.953 178.822 176.870 -0.002 0.000 1.077 224 L CA 2.077 56.897 54.840 -0.033 0.000 0.773 224 L CB -1.020 41.013 42.059 -0.043 0.000 0.892 224 L HN 0.387 nan 8.230 nan 0.000 0.436 225 E N -0.106 120.097 120.200 0.006 0.000 2.267 225 E HA -0.217 4.133 4.350 -0.000 0.000 0.197 225 E C 1.872 178.506 176.600 0.056 0.000 0.998 225 E CA 1.441 57.858 56.400 0.028 0.000 0.830 225 E CB -0.005 29.708 29.700 0.020 0.000 0.751 225 E HN 0.720 nan 8.360 nan 0.000 0.491 226 E N -0.704 119.527 120.200 0.051 0.000 2.498 226 E HA 0.073 4.423 4.350 -0.000 0.000 0.203 226 E C 0.191 176.846 176.600 0.091 0.000 1.013 226 E CA -0.125 56.321 56.400 0.077 0.000 0.927 226 E CB 0.659 30.398 29.700 0.065 0.000 1.012 226 E HN -0.153 nan 8.360 nan 0.000 0.482 227 S N 1.534 117.271 115.700 0.062 0.000 3.483 227 S HA 0.169 4.639 4.470 -0.000 0.000 0.274 227 S C 1.160 175.828 174.600 0.113 0.000 1.289 227 S CA -0.276 57.955 58.200 0.052 0.000 0.938 227 S CB -0.324 62.859 63.200 -0.028 0.000 1.453 227 S HN 0.238 nan 8.310 nan 0.000 0.494 228 L N 4.314 125.658 121.223 0.203 0.000 2.043 228 L HA -0.087 4.253 4.340 -0.000 0.000 0.212 228 L C -0.741 176.304 176.870 0.293 0.000 1.075 228 L CA 1.355 56.383 54.840 0.315 0.000 0.752 228 L CB -1.786 40.554 42.059 0.468 0.000 0.891 228 L HN 0.406 nan 8.230 nan 0.000 0.432 229 P HA -0.165 nan 4.420 nan 0.000 0.218 229 P C 1.942 179.352 177.300 0.182 0.000 1.148 229 P CA 1.331 64.382 63.100 -0.082 0.000 0.822 229 P CB 0.087 31.815 31.700 0.047 0.000 0.784 230 L N -1.044 120.217 121.223 0.063 0.000 2.156 230 L HA -0.092 4.248 4.340 -0.000 0.000 0.208 230 L C 2.265 179.156 176.870 0.035 0.000 1.095 230 L CA 1.324 56.090 54.840 -0.124 0.000 0.770 230 L CB -0.475 41.398 42.059 -0.309 0.000 0.914 230 L HN -0.038 nan 8.230 nan 0.000 0.439 231 K N -0.325 120.152 120.400 0.127 0.000 2.025 231 K HA -0.135 4.185 4.320 -0.000 0.000 0.207 231 K C 2.117 178.824 176.600 0.178 0.000 1.049 231 K CA 1.949 58.390 56.287 0.257 0.000 0.933 231 K CB -0.296 32.385 32.500 0.303 0.000 0.714 231 K HN 0.403 nan 8.250 nan 0.000 0.438 232 T N -0.817 113.806 114.554 0.115 0.000 2.951 232 T HA 0.022 4.372 4.350 -0.000 0.000 0.268 232 T C 2.112 176.861 174.700 0.080 0.000 1.073 232 T CA 0.856 62.966 62.100 0.017 0.000 1.134 232 T CB -0.145 68.846 68.868 0.205 0.000 0.884 232 T HN 0.142 nan 8.240 nan 0.000 0.479 233 A N 1.704 124.606 122.820 0.137 0.000 1.902 233 A HA 0.113 4.433 4.320 -0.000 0.000 0.217 233 A C 2.298 179.958 177.584 0.128 0.000 1.181 233 A CA 1.550 53.662 52.037 0.125 0.000 0.623 233 A CB -0.940 18.152 19.000 0.153 0.000 0.818 233 A HN 0.471 nan 8.150 nan 0.000 0.443 234 L N -0.143 121.164 121.223 0.140 0.000 2.017 234 L HA -0.130 4.210 4.340 -0.000 0.000 0.208 234 L C 2.312 179.322 176.870 0.234 0.000 1.073 234 L CA 1.706 56.661 54.840 0.191 0.000 0.745 234 L CB -0.554 41.627 42.059 0.204 0.000 0.894 234 L HN 0.415 nan 8.230 nan 0.000 0.432 235 L N -1.320 120.003 121.223 0.166 0.000 1.990 235 L HA -0.286 4.054 4.340 -0.000 0.000 0.213 235 L C 2.504 179.530 176.870 0.259 0.000 1.072 235 L CA 1.384 56.290 54.840 0.110 0.000 0.755 235 L CB -0.690 41.172 42.059 -0.329 0.000 0.889 235 L HN 0.293 nan 8.230 nan 0.000 0.432 236 L N -1.053 120.276 121.223 0.177 0.000 2.083 236 L HA -0.243 4.097 4.340 -0.000 0.000 0.209 236 L C 2.570 179.709 176.870 0.448 0.000 1.083 236 L CA 1.653 56.628 54.840 0.224 0.000 0.752 236 L CB -0.873 41.252 42.059 0.109 0.000 0.899 236 L HN 0.262 nan 8.230 nan 0.000 0.433 237 H N -0.361 118.903 119.070 0.323 0.000 2.353 237 H HA -0.102 4.454 4.556 -0.000 0.000 0.300 237 H C 1.987 177.498 175.328 0.305 0.000 1.090 237 H CA 1.568 57.885 56.048 0.448 0.000 1.327 237 H CB -0.121 29.808 29.762 0.278 0.000 1.383 237 H HN 0.228 nan 8.280 nan 0.000 0.508 238 L N -0.597 120.674 121.223 0.081 0.000 2.456 238 L HA -0.095 4.245 4.340 -0.000 0.000 0.224 238 L C 0.780 177.537 176.870 -0.189 0.000 1.148 238 L CA 0.996 55.749 54.840 -0.145 0.000 0.825 238 L CB -0.166 41.804 42.059 -0.147 0.000 0.937 238 L HN 0.425 nan 8.230 nan 0.000 0.450 239 H N -1.670 117.498 119.070 0.163 0.000 2.567 239 H HA 0.115 4.671 4.556 -0.000 0.000 0.267 239 H C 1.543 176.906 175.328 0.057 0.000 1.148 239 H CA -0.285 55.813 56.048 0.083 0.000 1.031 239 H CB 0.269 30.048 29.762 0.029 0.000 1.691 239 H HN 0.168 nan 8.280 nan 0.000 0.588 240 R N 0.641 121.291 120.500 0.249 0.000 2.249 240 R HA -0.147 4.193 4.340 -0.000 0.000 0.230 240 R C 0.902 177.173 176.300 -0.050 0.000 1.121 240 R CA 1.671 57.797 56.100 0.044 0.000 0.997 240 R CB -0.518 29.646 30.300 -0.227 0.000 0.867 240 R HN 0.486 nan 8.270 nan 0.000 0.465 241 H N 0.337 119.342 119.070 -0.108 0.000 2.562 241 H HA 0.219 4.775 4.556 -0.000 0.000 0.267 241 H C 0.566 175.881 175.328 -0.022 0.000 0.959 241 H CA -0.322 55.671 56.048 -0.092 0.000 1.204 241 H CB -0.259 29.454 29.762 -0.083 0.000 1.430 241 H HN 0.112 nan 8.280 nan 0.000 0.545 242 L N 4.061 125.046 121.223 -0.397 0.000 2.410 242 L HA 0.085 4.425 4.340 -0.000 0.000 0.273 242 L C -0.837 176.001 176.870 -0.054 0.000 1.152 242 L CA -1.468 53.242 54.840 -0.217 0.000 0.855 242 L CB 0.961 42.918 42.059 -0.170 0.000 1.129 242 L HN 0.064 nan 8.230 nan 0.000 0.463 243 P HA -0.085 nan 4.420 nan 0.000 0.220 243 P C 0.281 177.616 177.300 0.058 0.000 1.148 243 P CA 0.925 64.036 63.100 0.020 0.000 0.803 243 P CB 0.424 32.134 31.700 0.017 0.000 0.782 244 V N 0.259 120.207 119.914 0.056 0.000 2.680 244 V HA 0.362 4.482 4.120 -0.000 0.000 0.309 244 V C -0.702 175.461 176.094 0.114 0.000 1.052 244 V CA -0.639 61.708 62.300 0.078 0.000 0.908 244 V CB 1.679 33.530 31.823 0.046 0.000 1.001 244 V HN 0.087 nan 8.190 nan 0.000 0.431 245 H N 3.010 122.083 119.070 0.005 0.000 2.800 245 H HA 0.628 5.183 4.556 -0.000 0.000 0.322 245 H C -1.182 174.129 175.328 -0.029 0.000 0.979 245 H CA -0.487 55.548 56.048 -0.022 0.000 1.277 245 H CB 1.465 31.219 29.762 -0.014 0.000 1.484 245 H HN 0.371 nan 8.280 nan 0.000 0.512 246 V N 6.325 126.030 119.914 -0.348 0.000 2.498 246 V HA 0.179 4.299 4.120 -0.000 0.000 0.279 246 V C -0.294 175.517 176.094 -0.472 0.000 1.048 246 V CA -0.517 61.560 62.300 -0.371 0.000 0.967 246 V CB 0.568 32.099 31.823 -0.487 0.000 0.988 246 V HN 0.711 nan 8.190 nan 0.000 0.473 247 F N 6.439 126.122 119.950 -0.445 0.000 2.366 247 F HA 0.627 5.154 4.527 -0.000 0.000 0.366 247 F C -0.210 175.430 175.800 -0.267 0.000 1.096 247 F CA -0.693 57.042 58.000 -0.441 0.000 1.060 247 F CB 1.227 39.999 39.000 -0.379 0.000 1.282 247 F HN 0.469 nan 8.300 nan 0.000 0.450 248 M N 7.408 126.647 119.600 -0.602 0.000 2.167 248 M HA 0.579 5.059 4.480 -0.000 0.000 0.333 248 M C -1.843 174.144 176.300 -0.521 0.000 1.030 248 M CA -0.621 54.420 55.300 -0.431 0.000 0.963 248 M CB 1.080 33.533 32.600 -0.243 0.000 1.589 248 M HN 0.291 nan 8.290 nan 0.000 0.431 249 V N 5.717 125.369 119.914 -0.436 0.000 2.370 249 V HA 0.242 4.362 4.120 -0.000 0.000 0.283 249 V C -0.993 174.935 176.094 -0.277 0.000 1.023 249 V CA -0.483 61.609 62.300 -0.348 0.000 0.857 249 V CB 1.197 32.854 31.823 -0.276 0.000 0.985 249 V HN 0.695 nan 8.190 nan 0.000 0.443 250 Y N 3.519 123.676 120.300 -0.238 0.000 2.667 250 Y HA 0.516 5.066 4.550 -0.000 0.000 0.340 250 Y C 0.829 176.653 175.900 -0.127 0.000 1.303 250 Y CA 0.340 58.335 58.100 -0.175 0.000 1.769 250 Y CB 0.609 38.954 38.460 -0.191 0.000 1.804 250 Y HN 0.666 nan 8.280 nan 0.000 0.451 251 S N 0.501 116.147 115.700 -0.089 0.000 2.558 251 S HA 0.222 4.692 4.470 -0.000 0.000 0.277 251 S C 0.215 174.762 174.600 -0.089 0.000 1.143 251 S CA -0.662 57.509 58.200 -0.048 0.000 0.865 251 S CB 1.251 64.436 63.200 -0.024 0.000 1.102 251 S HN 0.441 nan 8.310 nan 0.000 0.454 252 E N 2.521 122.683 120.200 -0.064 0.000 2.216 252 E HA 0.250 4.600 4.350 -0.000 0.000 0.192 252 E C 1.713 178.269 176.600 -0.073 0.000 0.973 252 E CA 0.868 57.222 56.400 -0.076 0.000 0.851 252 E CB 0.011 29.680 29.700 -0.052 0.000 0.804 252 E HN 0.640 nan 8.360 nan 0.000 0.477 253 R N -0.117 120.343 120.500 -0.068 0.000 2.127 253 R HA -0.001 4.339 4.340 -0.000 0.000 0.238 253 R C 1.270 177.479 176.300 -0.152 0.000 1.134 253 R CA 1.141 57.176 56.100 -0.108 0.000 0.975 253 R CB -0.208 30.018 30.300 -0.122 0.000 0.865 253 R HN 0.219 nan 8.270 nan 0.000 0.447 254 L N 1.343 122.489 121.223 -0.128 0.000 2.783 254 L HA 0.089 4.429 4.340 -0.000 0.000 0.236 254 L C 1.652 178.470 176.870 -0.086 0.000 1.225 254 L CA -0.175 54.595 54.840 -0.116 0.000 1.026 254 L CB 0.223 42.229 42.059 -0.089 0.000 1.314 254 L HN 0.211 nan 8.230 nan 0.000 0.489 255 S N -1.686 113.943 115.700 -0.118 0.000 2.465 255 S HA -0.189 4.281 4.470 -0.000 0.000 0.241 255 S C 1.521 175.932 174.600 -0.315 0.000 1.000 255 S CA 0.895 58.966 58.200 -0.216 0.000 0.964 255 S CB -0.352 62.683 63.200 -0.275 0.000 0.763 255 S HN 0.518 nan 8.310 nan 0.000 0.512 256 H N -0.384 118.651 119.070 -0.059 0.000 2.586 256 H HA 0.324 4.880 4.556 -0.000 0.000 0.273 256 H C 1.619 176.968 175.328 0.035 0.000 0.997 256 H CA 0.216 56.241 56.048 -0.038 0.000 1.177 256 H CB 0.245 29.944 29.762 -0.106 0.000 1.471 256 H HN 0.337 nan 8.280 nan 0.000 0.538 257 L N 2.167 123.468 121.223 0.130 0.000 2.056 257 L HA 0.025 4.365 4.340 -0.000 0.000 0.207 257 L C -0.878 176.224 176.870 0.386 0.000 1.078 257 L CA 1.341 56.320 54.840 0.231 0.000 0.749 257 L CB -0.869 41.308 42.059 0.197 0.000 0.901 257 L HN 0.027 nan 8.230 nan 0.000 0.433 258 P HA -0.137 nan 4.420 nan 0.000 0.216 258 P C 1.834 179.285 177.300 0.251 0.000 1.153 258 P CA 1.775 65.123 63.100 0.414 0.000 0.858 258 P CB 0.003 31.864 31.700 0.267 0.000 0.789 259 S N -1.914 113.889 115.700 0.173 0.000 2.382 259 S HA -0.187 4.283 4.470 -0.000 0.000 0.228 259 S C 1.596 176.253 174.600 0.096 0.000 1.027 259 S CA 1.074 59.338 58.200 0.106 0.000 0.991 259 S CB -1.129 62.130 63.200 0.099 0.000 0.823 259 S HN 0.317 nan 8.310 nan 0.000 0.469 260 W N 1.494 122.789 121.300 -0.009 0.000 2.358 260 W HA -0.149 4.510 4.660 -0.000 0.000 0.303 260 W C 1.810 178.261 176.519 -0.114 0.000 1.208 260 W CA 1.087 58.397 57.345 -0.057 0.000 1.274 260 W CB -0.590 28.852 29.460 -0.030 0.000 1.138 260 W HN 0.282 nan 8.180 nan 0.000 0.515 261 F N 0.463 120.265 119.950 -0.246 0.000 2.186 261 F HA -0.162 4.364 4.527 -0.000 0.000 0.299 261 F C 2.076 177.579 175.800 -0.494 0.000 1.090 261 F CA 2.119 59.732 58.000 -0.645 0.000 1.307 261 F CB -0.929 37.529 39.000 -0.904 0.000 1.019 261 F HN -0.222 nan 8.300 nan 0.000 0.489 262 V N 0.806 120.480 119.914 -0.400 0.000 2.332 262 V HA -0.364 3.756 4.120 -0.000 0.000 0.248 262 V C 2.483 178.335 176.094 -0.404 0.000 1.055 262 V CA 2.380 64.470 62.300 -0.350 0.000 1.038 262 V CB -0.944 30.813 31.823 -0.110 0.000 0.651 262 V HN 0.521 nan 8.190 nan 0.000 0.450 263 Q N -0.470 119.091 119.800 -0.399 0.000 2.079 263 Q HA -0.233 4.107 4.340 -0.000 0.000 0.200 263 Q C 2.267 177.937 176.000 -0.551 0.000 0.974 263 Q CA 2.006 57.579 55.803 -0.384 0.000 0.840 263 Q CB -0.231 28.314 28.738 -0.320 0.000 0.898 263 Q HN 0.549 nan 8.270 nan 0.000 0.430 264 L N 0.417 121.134 121.223 -0.843 0.000 1.989 264 L HA -0.224 4.116 4.340 -0.000 0.000 0.211 264 L C 2.316 178.723 176.870 -0.772 0.000 1.071 264 L CA 2.652 56.900 54.840 -0.987 0.000 0.749 264 L CB -0.862 40.383 42.059 -1.356 0.000 0.890 264 L HN 0.412 nan 8.230 nan 0.000 0.431 265 H N -0.889 117.593 119.070 -0.980 0.000 2.276 265 H HA -0.126 4.430 4.556 -0.000 0.000 0.301 265 H C 1.893 176.982 175.328 -0.399 0.000 1.073 265 H CA 2.175 57.781 56.048 -0.738 0.000 1.311 265 H CB -0.190 28.964 29.762 -1.014 0.000 1.379 265 H HN 0.395 nan 8.280 nan 0.000 0.494 266 D N 0.182 120.395 120.400 -0.313 0.000 2.087 266 D HA -0.162 4.478 4.640 -0.000 0.000 0.192 266 D C 2.143 178.314 176.300 -0.215 0.000 0.993 266 D CA 1.614 55.491 54.000 -0.204 0.000 0.828 266 D CB -0.364 40.362 40.800 -0.123 0.000 0.968 266 D HN 0.535 nan 8.370 nan 0.000 0.448 267 E N -0.187 119.874 120.200 -0.232 0.000 2.150 267 E HA -0.096 4.254 4.350 -0.000 0.000 0.193 267 E C 1.896 178.387 176.600 -0.183 0.000 0.985 267 E CA 0.797 57.089 56.400 -0.179 0.000 0.814 267 E CB 0.191 29.787 29.700 -0.173 0.000 0.752 267 E HN 0.063 nan 8.360 nan 0.000 0.466 268 S N 0.043 115.586 115.700 -0.262 0.000 2.362 268 S HA 0.010 4.480 4.470 -0.000 0.000 0.221 268 S C 1.728 176.184 174.600 -0.240 0.000 1.032 268 S CA 0.627 58.675 58.200 -0.254 0.000 0.973 268 S CB 0.103 63.118 63.200 -0.308 0.000 0.849 268 S HN 0.233 nan 8.310 nan 0.000 0.465 269 L N 0.683 121.746 121.223 -0.267 0.000 2.616 269 L HA 0.302 4.642 4.340 -0.000 0.000 0.229 269 L C 1.283 178.149 176.870 -0.007 0.000 1.110 269 L CA -0.161 54.604 54.840 -0.124 0.000 0.884 269 L CB -0.240 41.706 42.059 -0.188 0.000 1.115 269 L HN 0.225 nan 8.230 nan 0.000 0.481 270 G N 1.713 110.468 108.800 -0.075 0.000 2.865 270 G HA2 0.291 4.250 3.960 -0.000 0.000 0.292 270 G HA3 0.291 4.250 3.960 -0.000 0.000 0.292 270 G C 0.037 174.923 174.900 -0.023 0.000 0.800 270 G CA -0.047 45.033 45.100 -0.033 0.000 1.838 270 G HN -0.048 nan 8.290 nan 0.000 0.535 271 K N 0.566 120.968 120.400 0.003 0.000 2.469 271 K HA 0.432 4.751 4.320 -0.000 0.000 0.268 271 K C -0.998 175.609 176.600 0.011 0.000 1.027 271 K CA -0.909 55.379 56.287 0.003 0.000 0.893 271 K CB 2.190 34.691 32.500 0.002 0.000 1.460 271 K HN 0.016 nan 8.250 nan 0.000 0.449 272 V N 2.944 122.864 119.914 0.010 0.000 2.406 272 V HA 0.040 4.160 4.120 -0.000 0.000 0.272 272 V C 0.140 176.247 176.094 0.023 0.000 1.043 272 V CA -0.573 61.733 62.300 0.011 0.000 0.915 272 V CB 0.784 32.612 31.823 0.008 0.000 0.988 272 V HN 0.785 nan 8.190 nan 0.000 0.466 273 D N 5.020 125.437 120.400 0.029 0.000 2.414 273 D HA 0.105 4.745 4.640 -0.000 0.000 0.251 273 D C 1.017 177.339 176.300 0.038 0.000 1.252 273 D CA -0.542 53.485 54.000 0.046 0.000 0.999 273 D CB 0.641 41.476 40.800 0.059 0.000 1.093 273 D HN 0.293 nan 8.370 nan 0.000 0.515 274 R N -1.280 119.247 120.500 0.046 0.000 2.328 274 R HA -0.078 4.262 4.340 -0.000 0.000 0.207 274 R C 0.881 177.199 176.300 0.030 0.000 1.056 274 R CA 0.784 56.907 56.100 0.038 0.000 1.016 274 R CB -0.089 30.237 30.300 0.044 0.000 0.872 274 R HN 0.415 nan 8.270 nan 0.000 0.471 275 Q N -1.072 118.744 119.800 0.028 0.000 2.247 275 Q HA 0.180 4.520 4.340 -0.000 0.000 0.204 275 Q C 0.695 176.703 176.000 0.013 0.000 0.872 275 Q CA 0.448 56.264 55.803 0.020 0.000 0.951 275 Q CB 1.282 30.032 28.738 0.019 0.000 1.099 275 Q HN 0.431 nan 8.270 nan 0.000 0.501 276 G N -0.031 108.778 108.800 0.014 0.000 2.148 276 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.254 276 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.254 276 G C -0.093 174.809 174.900 0.003 0.000 0.981 276 G CA -0.058 45.047 45.100 0.009 0.000 0.670 276 G HN 0.194 nan 8.290 nan 0.000 0.528 277 Q N -0.083 119.717 119.800 0.001 0.000 2.230 277 Q HA 0.476 4.816 4.340 -0.000 0.000 0.253 277 Q C 0.622 176.614 176.000 -0.014 0.000 0.919 277 Q CA -0.547 55.250 55.803 -0.010 0.000 0.908 277 Q CB 1.042 29.769 28.738 -0.018 0.000 1.245 277 Q HN 0.495 nan 8.270 nan 0.000 0.437 278 R N 0.799 121.287 120.500 -0.021 0.000 2.316 278 R HA 0.316 4.656 4.340 -0.000 0.000 0.314 278 R C 0.300 176.572 176.300 -0.048 0.000 1.069 278 R CA -0.177 55.908 56.100 -0.024 0.000 0.959 278 R CB 0.345 30.633 30.300 -0.021 0.000 0.987 278 R HN 0.460 nan 8.270 nan 0.000 0.446 279 V N -0.493 119.392 119.914 -0.048 0.000 3.158 279 V HA 1.010 5.130 4.120 -0.000 0.000 0.311 279 V C 0.029 176.080 176.094 -0.073 0.000 1.181 279 V CA -0.414 61.819 62.300 -0.111 0.000 1.054 279 V CB 1.929 33.664 31.823 -0.146 0.000 1.085 279 V HN 0.917 nan 8.190 nan 0.000 0.446 280 G N 0.543 109.248 108.800 -0.159 0.000 2.627 280 G HA2 0.471 4.431 3.960 -0.000 0.000 0.680 280 G HA3 0.471 4.431 3.960 -0.000 0.000 0.680 280 G C -0.555 174.366 174.900 0.034 0.000 1.341 280 G CA -0.124 44.987 45.100 0.018 0.000 0.835 280 G HN 2.149 nan 8.290 nan 0.000 0.643 281 T N -1.183 113.508 114.554 0.229 0.000 2.945 281 T HA 0.760 5.109 4.350 -0.000 0.000 0.286 281 T C 0.275 175.156 174.700 0.301 0.000 1.025 281 T CA -0.218 62.040 62.100 0.263 0.000 1.039 281 T CB 2.007 71.101 68.868 0.376 0.000 1.068 281 T HN 0.866 nan 8.240 nan 0.000 0.497 282 T N 2.524 117.196 114.554 0.197 0.000 2.723 282 T HA 0.554 4.904 4.350 -0.000 0.000 0.297 282 T C 0.489 175.284 174.700 0.157 0.000 0.925 282 T CA -0.490 61.703 62.100 0.155 0.000 1.030 282 T CB 0.041 68.963 68.868 0.089 0.000 0.905 282 T HN 0.955 nan 8.240 nan 0.000 0.502 283 A N 3.894 126.810 122.820 0.160 0.000 2.409 283 A HA 0.539 4.859 4.320 -0.000 0.000 0.267 283 A C 0.040 177.654 177.584 0.050 0.000 1.127 283 A CA -0.466 51.610 52.037 0.065 0.000 0.795 283 A CB 0.223 19.206 19.000 -0.028 0.000 1.061 283 A HN 0.678 nan 8.150 nan 0.000 0.502 284 V N 6.290 126.226 119.914 0.037 0.000 2.378 284 V HA 0.396 4.516 4.120 -0.000 0.000 0.288 284 V C -2.140 173.997 176.094 0.072 0.000 1.016 284 V CA -1.448 60.885 62.300 0.055 0.000 0.840 284 V CB 1.722 33.588 31.823 0.072 0.000 0.994 284 V HN 0.884 nan 8.190 nan 0.000 0.431 285 P HA 0.575 nan 4.420 nan 0.000 0.279 285 P C -0.836 176.497 177.300 0.054 0.000 1.239 285 P CA -0.124 63.038 63.100 0.103 0.000 0.789 285 P CB 1.941 33.693 31.700 0.087 0.000 0.933 286 A N 3.056 125.883 122.820 0.012 0.000 2.594 286 A HA 0.734 5.054 4.320 -0.000 0.000 0.295 286 A C -1.519 175.984 177.584 -0.135 0.000 1.071 286 A CA -0.691 51.323 52.037 -0.038 0.000 0.685 286 A CB 1.193 20.205 19.000 0.020 0.000 1.285 286 A HN 0.456 nan 8.150 nan 0.000 0.405 287 L N 0.965 122.079 121.223 -0.182 0.000 2.381 287 L HA 0.754 5.093 4.340 -0.000 0.000 0.268 287 L C 0.465 177.067 176.870 -0.447 0.000 0.997 287 L CA -0.803 53.867 54.840 -0.284 0.000 0.818 287 L CB 2.527 44.455 42.059 -0.217 0.000 1.310 287 L HN 0.920 nan 8.230 nan 0.000 0.416 288 G N 1.029 109.345 108.800 -0.807 0.000 2.416 288 G HA2 0.602 4.562 3.960 -0.000 0.000 0.329 288 G HA3 0.602 4.562 3.960 -0.000 0.000 0.329 288 G C -2.203 172.208 174.900 -0.814 0.000 1.173 288 G CA -1.085 43.138 45.100 -1.461 0.000 0.929 288 G HN 0.435 nan 8.290 nan 0.000 0.475 289 P HA 0.031 nan 4.420 nan 0.000 0.255 289 P C 1.324 178.601 177.300 -0.039 0.000 1.248 289 P CA 0.132 63.129 63.100 -0.173 0.000 0.807 289 P CB 0.390 32.153 31.700 0.105 0.000 1.150 290 K N 0.413 120.767 120.400 -0.077 0.000 2.113 290 K HA -0.171 4.149 4.320 -0.000 0.000 0.208 290 K C 1.116 177.733 176.600 0.029 0.000 1.047 290 K CA 1.567 57.855 56.287 0.003 0.000 0.928 290 K CB -0.932 31.520 32.500 -0.080 0.000 0.716 290 K HN -0.046 nan 8.250 nan 0.000 0.446 291 D N 1.108 121.462 120.400 -0.076 0.000 2.363 291 D HA -0.040 4.600 4.640 -0.000 0.000 0.226 291 D C 1.321 177.566 176.300 -0.091 0.000 1.020 291 D CA 0.554 54.506 54.000 -0.080 0.000 0.892 291 D CB 0.248 40.993 40.800 -0.092 0.000 0.900 291 D HN 0.476 nan 8.370 nan 0.000 0.531 292 Q N -0.523 119.227 119.800 -0.083 0.000 2.435 292 Q HA -0.028 4.312 4.340 -0.000 0.000 0.207 292 Q C 0.606 176.404 176.000 -0.337 0.000 0.956 292 Q CA 0.683 56.372 55.803 -0.191 0.000 0.917 292 Q CB 0.333 28.940 28.738 -0.218 0.000 0.997 292 Q HN 0.460 nan 8.270 nan 0.000 0.497 293 H N -1.771 117.248 119.070 -0.084 0.000 2.472 293 H HA 0.485 5.041 4.556 -0.000 0.000 0.287 293 H C 0.365 175.634 175.328 -0.098 0.000 1.112 293 H CA 0.476 56.477 56.048 -0.079 0.000 1.021 293 H CB 1.008 30.733 29.762 -0.063 0.000 1.635 293 H HN 0.240 nan 8.280 nan 0.000 0.559 294 A N -0.131 122.651 122.820 -0.064 0.000 1.429 294 A HA 0.019 4.339 4.320 -0.000 0.000 0.212 294 A C 1.374 178.835 177.584 -0.206 0.000 1.863 294 A CA -0.072 51.904 52.037 -0.102 0.000 1.494 294 A CB 0.509 19.466 19.000 -0.073 0.000 1.413 294 A HN 0.199 nan 8.150 nan 0.000 0.338 295 Q N -0.160 119.453 119.800 -0.311 0.000 2.391 295 Q HA 0.203 4.543 4.340 -0.000 0.000 0.243 295 Q C 1.539 176.898 176.000 -1.069 0.000 0.874 295 Q CA 0.873 56.297 55.803 -0.631 0.000 0.950 295 Q CB 0.668 29.053 28.738 -0.588 0.000 1.103 295 Q HN 0.344 nan 8.270 nan 0.000 0.544 296 V N 1.763 121.303 119.914 -0.623 0.000 2.469 296 V HA -0.306 3.814 4.120 -0.000 0.000 0.251 296 V C 2.356 178.275 176.094 -0.292 0.000 1.064 296 V CA 2.204 64.275 62.300 -0.381 0.000 1.066 296 V CB -0.455 31.299 31.823 -0.116 0.000 0.667 296 V HN 0.337 nan 8.190 nan 0.000 0.461 297 Q N 0.395 120.031 119.800 -0.273 0.000 2.061 297 Q HA -0.240 4.100 4.340 -0.000 0.000 0.204 297 Q C 1.986 177.888 176.000 -0.163 0.000 0.984 297 Q CA 2.332 58.031 55.803 -0.174 0.000 0.846 297 Q CB -0.679 27.971 28.738 -0.147 0.000 0.902 297 Q HN 0.573 nan 8.270 nan 0.000 0.421 298 L N -0.503 120.562 121.223 -0.263 0.000 2.056 298 L HA -0.050 4.290 4.340 -0.000 0.000 0.207 298 L C 1.785 178.653 176.870 -0.003 0.000 1.078 298 L CA 1.630 56.372 54.840 -0.163 0.000 0.749 298 L CB -0.635 41.297 42.059 -0.210 0.000 0.901 298 L HN 0.212 nan 8.230 nan 0.000 0.433 299 F N -0.040 119.886 119.950 -0.040 0.000 2.234 299 F HA -0.054 4.473 4.527 -0.000 0.000 0.299 299 F C 2.567 178.340 175.800 -0.045 0.000 1.087 299 F CA 0.792 58.767 58.000 -0.042 0.000 1.340 299 F CB -1.049 37.921 39.000 -0.049 0.000 1.031 299 F HN 0.081 nan 8.300 nan 0.000 0.500 300 R N 0.498 121.060 120.500 0.103 0.000 2.075 300 R HA -0.028 4.312 4.340 -0.000 0.000 0.226 300 R C 1.359 177.667 176.300 0.012 0.000 1.114 300 R CA 1.254 57.373 56.100 0.033 0.000 0.972 300 R CB -0.444 29.850 30.300 -0.011 0.000 0.869 300 R HN 0.387 nan 8.270 nan 0.000 0.437 301 E N -0.566 119.636 120.200 0.003 0.000 2.601 301 E HA 0.178 4.527 4.350 -0.000 0.000 0.219 301 E C 0.695 177.299 176.600 0.006 0.000 0.964 301 E CA -0.184 56.214 56.400 -0.003 0.000 1.050 301 E CB 1.058 30.747 29.700 -0.018 0.000 1.068 301 E HN 0.163 nan 8.360 nan 0.000 0.496 302 G N 2.411 111.224 108.800 0.022 0.000 2.543 302 G HA2 0.327 4.287 3.960 -0.000 0.000 0.290 302 G HA3 0.327 4.287 3.960 -0.000 0.000 0.290 302 G C -2.460 172.464 174.900 0.040 0.000 1.310 302 G CA -1.059 44.058 45.100 0.029 0.000 1.025 302 G HN -0.153 nan 8.290 nan 0.000 0.502 303 P HA 0.086 nan 4.420 nan 0.000 0.266 303 P C -0.168 177.157 177.300 0.040 0.000 1.193 303 P CA 0.091 63.212 63.100 0.035 0.000 0.770 303 P CB 0.499 32.219 31.700 0.032 0.000 0.836 304 L N 3.114 124.355 121.223 0.030 0.000 2.536 304 L HA 0.148 4.488 4.340 -0.000 0.000 0.242 304 L C 0.405 177.287 176.870 0.020 0.000 1.280 304 L CA 0.204 55.059 54.840 0.026 0.000 1.221 304 L CB -0.577 41.498 42.059 0.027 0.000 1.449 304 L HN 0.418 nan 8.230 nan 0.000 0.405 305 D N -0.693 119.716 120.400 0.015 0.000 2.696 305 D HA 0.176 4.816 4.640 -0.000 0.000 0.269 305 D C -0.038 176.255 176.300 -0.012 0.000 1.319 305 D CA -0.361 53.639 54.000 0.000 0.000 0.826 305 D CB 0.429 41.236 40.800 0.010 0.000 1.086 305 D HN 0.202 nan 8.370 nan 0.000 0.481 306 K N -0.227 120.154 120.400 -0.030 0.000 2.482 306 K HA 0.607 4.927 4.320 -0.000 0.000 0.257 306 K C -1.581 174.962 176.600 -0.095 0.000 0.969 306 K CA -1.201 55.048 56.287 -0.064 0.000 0.842 306 K CB 2.600 35.016 32.500 -0.141 0.000 1.359 306 K HN -0.031 nan 8.250 nan 0.000 0.441 307 L N 2.417 123.595 121.223 -0.075 0.000 2.343 307 L HA 0.475 4.815 4.340 -0.000 0.000 0.278 307 L C -1.966 174.884 176.870 -0.033 0.000 0.996 307 L CA -0.541 54.231 54.840 -0.114 0.000 0.831 307 L CB 1.034 43.023 42.059 -0.117 0.000 1.232 307 L HN 0.471 nan 8.230 nan 0.000 0.413 308 L N 5.363 126.480 121.223 -0.177 0.000 2.322 308 L HA 0.885 5.225 4.340 -0.000 0.000 0.281 308 L C 0.006 176.568 176.870 -0.514 0.000 1.014 308 L CA -0.297 54.345 54.840 -0.331 0.000 0.815 308 L CB 1.793 43.609 42.059 -0.405 0.000 1.247 308 L HN 0.745 nan 8.230 nan 0.000 0.421 309 A N 3.804 126.243 122.820 -0.634 0.000 2.303 309 A HA 0.839 5.159 4.320 -0.000 0.000 0.320 309 A C -1.094 176.046 177.584 -0.741 0.000 1.192 309 A CA -0.410 51.034 52.037 -0.988 0.000 0.821 309 A CB 0.726 19.288 19.000 -0.729 0.000 1.188 309 A HN 0.506 nan 8.150 nan 0.000 0.492 310 L N 2.983 123.766 121.223 -0.733 0.000 2.305 310 L HA 0.448 4.788 4.340 -0.000 0.000 0.284 310 L C -0.324 176.152 176.870 -0.657 0.000 1.013 310 L CA -0.174 54.301 54.840 -0.608 0.000 0.819 310 L CB 1.883 43.618 42.059 -0.540 0.000 1.227 310 L HN 0.441 nan 8.230 nan 0.000 0.417 311 V N 5.762 125.327 119.914 -0.583 0.000 2.364 311 V HA 0.449 4.569 4.120 -0.000 0.000 0.272 311 V C 0.096 175.966 176.094 -0.374 0.000 1.036 311 V CA -0.278 61.724 62.300 -0.498 0.000 0.880 311 V CB 0.979 32.516 31.823 -0.477 0.000 0.991 311 V HN 0.493 nan 8.190 nan 0.000 0.460 312 I N 7.913 128.200 120.570 -0.471 0.000 2.466 312 I HA 0.435 4.605 4.170 -0.000 0.000 0.289 312 I C -2.390 173.684 176.117 -0.070 0.000 1.026 312 I CA -2.054 59.052 61.300 -0.324 0.000 1.078 312 I CB 2.879 40.543 38.000 -0.561 0.000 1.249 312 I HN 0.411 nan 8.210 nan 0.000 0.429 313 P HA 0.202 nan 4.420 nan 0.000 0.277 313 P C -0.451 177.081 177.300 0.386 0.000 1.240 313 P CA -0.148 63.086 63.100 0.222 0.000 0.798 313 P CB 1.425 33.300 31.700 0.291 0.000 0.979 314 E N 0.164 120.567 120.200 0.340 0.000 2.489 314 E HA 0.351 4.700 4.350 -0.000 0.000 0.204 314 E C 0.205 176.950 176.600 0.242 0.000 1.006 314 E CA -0.088 56.508 56.400 0.327 0.000 0.936 314 E CB 0.758 30.549 29.700 0.152 0.000 1.002 314 E HN 0.530 nan 8.360 nan 0.000 0.488 315 A N 2.059 124.858 122.820 -0.035 0.000 2.589 315 A HA 0.514 4.834 4.320 -0.000 0.000 0.296 315 A C -2.848 174.171 177.584 -0.942 0.000 1.062 315 A CA -1.296 50.364 52.037 -0.629 0.000 0.686 315 A CB 1.572 20.411 19.000 -0.268 0.000 1.282 315 A HN -0.174 nan 8.150 nan 0.000 0.404 316 P HA 0.471 nan 4.420 nan 0.000 0.283 316 P C 0.225 177.357 177.300 -0.280 0.000 1.271 316 P CA -0.542 62.171 63.100 -0.645 0.000 0.841 316 P CB 1.278 32.647 31.700 -0.552 0.000 1.122 317 L N -0.622 120.531 121.223 -0.117 0.000 2.249 317 L HA 0.180 4.520 4.340 -0.000 0.000 0.207 317 L C 1.256 178.094 176.870 -0.052 0.000 1.090 317 L CA 1.160 55.964 54.840 -0.059 0.000 0.802 317 L CB -0.043 42.017 42.059 0.001 0.000 0.947 317 L HN 0.514 nan 8.230 nan 0.000 0.453 318 E N 0.006 120.182 120.200 -0.040 0.000 2.334 318 E HA 0.131 4.480 4.350 -0.000 0.000 0.280 318 E C -1.440 175.158 176.600 -0.004 0.000 0.899 318 E CA -0.412 55.976 56.400 -0.021 0.000 0.813 318 E CB 1.648 31.348 29.700 -0.000 0.000 1.318 318 E HN -0.097 nan 8.360 nan 0.000 0.399 319 D N 1.873 122.269 120.400 -0.006 0.000 2.423 319 D HA 0.506 5.146 4.640 -0.000 0.000 0.255 319 D C -1.017 175.308 176.300 0.042 0.000 1.174 319 D CA -0.495 53.526 54.000 0.035 0.000 1.008 319 D CB 1.813 42.633 40.800 0.035 0.000 1.101 319 D HN 0.186 nan 8.370 nan 0.000 0.516 320 V N 1.340 121.291 119.914 0.062 0.000 2.569 320 V HA 0.185 4.305 4.120 -0.000 0.000 0.301 320 V C -0.198 175.925 176.094 0.048 0.000 1.044 320 V CA -0.854 61.473 62.300 0.046 0.000 0.874 320 V CB 1.724 33.574 31.823 0.044 0.000 1.002 320 V HN 0.495 nan 8.190 nan 0.000 0.424 321 E N 4.142 124.363 120.200 0.034 0.000 2.313 321 E HA 0.397 4.747 4.350 -0.000 0.000 0.276 321 E C -0.658 175.959 176.600 0.028 0.000 1.031 321 E CA -0.523 55.898 56.400 0.034 0.000 0.857 321 E CB 0.950 30.663 29.700 0.023 0.000 1.040 321 E HN 0.615 nan 8.360 nan 0.000 0.408 322 I N 7.956 128.552 120.570 0.042 0.000 2.421 322 I HA 0.138 4.308 4.170 -0.000 0.000 0.291 322 I C -1.775 174.361 176.117 0.033 0.000 1.089 322 I CA -1.751 59.579 61.300 0.050 0.000 1.354 322 I CB 0.401 38.448 38.000 0.078 0.000 1.413 322 I HN 0.372 nan 8.210 nan 0.000 0.513 323 P HA 0.083 nan 4.420 nan 0.000 0.275 323 P C -0.711 176.333 177.300 -0.427 0.000 1.228 323 P CA -0.460 62.548 63.100 -0.154 0.000 0.786 323 P CB 0.666 32.292 31.700 -0.123 0.000 0.927 324 E N 1.110 120.892 120.200 -0.695 0.000 2.383 324 E HA 0.313 4.662 4.350 -0.000 0.000 0.264 324 E C -0.935 175.055 176.600 -1.018 0.000 1.050 324 E CA -0.816 54.579 56.400 -1.675 0.000 0.896 324 E CB 0.530 29.633 29.700 -0.996 0.000 0.982 324 E HN 0.111 nan 8.360 nan 0.000 0.424 325 V N 2.983 122.280 119.914 -1.028 0.000 2.409 325 V HA 0.106 4.226 4.120 -0.000 0.000 0.291 325 V C -0.142 175.901 176.094 -0.086 0.000 1.020 325 V CA -0.900 61.235 62.300 -0.276 0.000 0.848 325 V CB 1.194 33.003 31.823 -0.023 0.000 0.990 325 V HN 0.835 nan 8.190 nan 0.000 0.430 326 E N 3.612 123.772 120.200 -0.068 0.000 2.351 326 E HA 0.467 4.817 4.350 -0.000 0.000 0.266 326 E C 0.967 177.585 176.600 0.029 0.000 1.031 326 E CA 0.336 56.731 56.400 -0.009 0.000 0.911 326 E CB 0.557 30.244 29.700 -0.021 0.000 0.986 326 E HN 1.068 nan 8.360 nan 0.000 0.446 327 G N 2.913 111.748 108.800 0.058 0.000 2.175 327 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.244 327 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.244 327 G C -0.015 174.933 174.900 0.080 0.000 0.982 327 G CA 0.110 45.245 45.100 0.058 0.000 0.641 327 G HN 0.538 nan 8.290 nan 0.000 0.527 328 L N 0.824 122.127 121.223 0.134 0.000 2.839 328 L HA 0.682 5.022 4.340 -0.000 0.000 0.259 328 L C 1.213 178.196 176.870 0.188 0.000 1.369 328 L CA -0.226 54.706 54.840 0.154 0.000 0.845 328 L CB 0.700 42.867 42.059 0.181 0.000 1.181 328 L HN 0.034 nan 8.230 nan 0.000 0.529 329 E N 0.572 120.849 120.200 0.128 0.000 2.265 329 E HA -0.069 4.281 4.350 -0.000 0.000 0.196 329 E C 2.084 178.674 176.600 -0.018 0.000 0.996 329 E CA 1.094 57.542 56.400 0.080 0.000 0.832 329 E CB 0.003 29.746 29.700 0.072 0.000 0.756 329 E HN 0.630 nan 8.360 nan 0.000 0.491 330 A N 0.279 123.102 122.820 0.005 0.000 2.172 330 A HA 0.097 4.417 4.320 -0.000 0.000 0.216 330 A C 1.916 179.500 177.584 0.001 0.000 1.154 330 A CA 1.317 53.363 52.037 0.015 0.000 0.701 330 A CB -0.180 18.840 19.000 0.035 0.000 0.789 330 A HN 0.203 nan 8.150 nan 0.000 0.465 331 A N -0.159 122.551 122.820 -0.184 0.000 2.535 331 A HA 0.370 4.690 4.320 -0.000 0.000 0.273 331 A C 1.817 178.673 177.584 -1.213 0.000 1.267 331 A CA 0.793 52.551 52.037 -0.465 0.000 0.940 331 A CB -0.508 18.340 19.000 -0.253 0.000 1.101 331 A HN 0.710 nan 8.150 nan 0.000 0.521 332 S N -0.173 114.920 115.700 -1.011 0.000 2.447 332 S HA -0.237 4.233 4.470 -0.000 0.000 0.233 332 S C 1.768 176.020 174.600 -0.580 0.000 1.006 332 S CA 1.303 58.801 58.200 -1.170 0.000 0.957 332 S CB -1.049 61.944 63.200 -0.344 0.000 0.773 332 S HN 0.904 nan 8.310 nan 0.000 0.507 333 Y N 0.955 121.032 120.300 -0.371 0.000 2.497 333 Y HA 0.321 4.871 4.550 -0.000 0.000 0.292 333 Y C 1.658 177.473 175.900 -0.142 0.000 1.137 333 Y CA 0.269 58.258 58.100 -0.185 0.000 1.285 333 Y CB -0.477 37.907 38.460 -0.126 0.000 0.991 333 Y HN 0.197 nan 8.280 nan 0.000 0.556 334 L N -0.989 119.774 121.223 -0.767 0.000 2.408 334 L HA 0.128 4.468 4.340 -0.000 0.000 0.215 334 L C 0.170 176.993 176.870 -0.078 0.000 1.081 334 L CA -0.387 54.168 54.840 -0.476 0.000 0.840 334 L CB -0.229 41.478 42.059 -0.586 0.000 1.002 334 L HN 0.005 nan 8.230 nan 0.000 0.468 335 F N 1.210 121.081 119.950 -0.133 0.000 2.607 335 F HA 0.278 4.805 4.527 -0.000 0.000 0.374 335 F C 1.599 177.379 175.800 -0.034 0.000 1.104 335 F CA 0.509 58.470 58.000 -0.066 0.000 1.296 335 F CB -0.596 38.379 39.000 -0.042 0.000 1.085 335 F HN 0.184 nan 8.300 nan 0.000 0.584 336 G N 1.540 110.440 108.800 0.167 0.000 2.336 336 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.233 336 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.233 336 G C 0.619 175.561 174.900 0.071 0.000 1.053 336 G CA -0.174 44.983 45.100 0.095 0.000 0.625 336 G HN 0.464 nan 8.290 nan 0.000 0.511 337 K N 1.617 122.059 120.400 0.069 0.000 2.120 337 K HA 0.573 4.893 4.320 -0.000 0.000 0.245 337 K C 0.852 177.487 176.600 0.059 0.000 1.024 337 K CA 0.520 56.841 56.287 0.056 0.000 0.906 337 K CB 0.498 33.021 32.500 0.039 0.000 1.051 337 K HN 0.657 nan 8.250 nan 0.000 0.491 338 T N -2.723 111.873 114.554 0.069 0.000 2.952 338 T HA 0.376 4.726 4.350 -0.000 0.000 0.286 338 T C 1.616 176.367 174.700 0.085 0.000 1.024 338 T CA -0.883 61.266 62.100 0.083 0.000 1.029 338 T CB 0.693 69.628 68.868 0.111 0.000 1.094 338 T HN 0.363 nan 8.240 nan 0.000 0.515 339 L N -0.045 121.233 121.223 0.092 0.000 2.046 339 L HA 0.052 4.391 4.340 -0.000 0.000 0.208 339 L C 2.357 179.284 176.870 0.094 0.000 1.077 339 L CA 1.446 56.334 54.840 0.079 0.000 0.747 339 L CB -0.560 41.546 42.059 0.079 0.000 0.896 339 L HN 0.703 nan 8.230 nan 0.000 0.432 340 F N 0.667 120.634 119.950 0.028 0.000 2.171 340 F HA -0.255 4.272 4.527 -0.000 0.000 0.300 340 F C 2.731 178.553 175.800 0.036 0.000 1.090 340 F CA 1.635 59.655 58.000 0.033 0.000 1.293 340 F CB -0.178 38.840 39.000 0.029 0.000 1.013 340 F HN 0.060 nan 8.300 nan 0.000 0.486 341 Q N -0.072 119.815 119.800 0.145 0.000 2.096 341 Q HA -0.247 4.093 4.340 -0.000 0.000 0.204 341 Q C 2.192 178.173 176.000 -0.033 0.000 0.982 341 Q CA 1.905 57.750 55.803 0.070 0.000 0.850 341 Q CB -0.357 28.440 28.738 0.097 0.000 0.901 341 Q HN 0.508 nan 8.270 nan 0.000 0.422 342 L N 0.460 121.669 121.223 -0.024 0.000 2.027 342 L HA -0.150 4.190 4.340 -0.000 0.000 0.206 342 L C 2.157 178.984 176.870 -0.070 0.000 1.074 342 L CA 1.481 56.308 54.840 -0.021 0.000 0.745 342 L CB -0.975 41.085 42.059 0.003 0.000 0.898 342 L HN 0.386 nan 8.230 nan 0.000 0.433 343 L N -0.108 121.030 121.223 -0.141 0.000 1.990 343 L HA -0.238 4.101 4.340 -0.000 0.000 0.213 343 L C 2.507 179.225 176.870 -0.254 0.000 1.072 343 L CA 1.979 56.713 54.840 -0.175 0.000 0.755 343 L CB -1.116 40.767 42.059 -0.294 0.000 0.889 343 L HN 0.239 nan 8.230 nan 0.000 0.432 344 K N -0.044 120.089 120.400 -0.445 0.000 2.032 344 K HA -0.060 4.260 4.320 -0.000 0.000 0.209 344 K C 2.104 178.600 176.600 -0.173 0.000 1.048 344 K CA 1.586 57.667 56.287 -0.343 0.000 0.927 344 K CB -0.847 31.477 32.500 -0.294 0.000 0.712 344 K HN 0.512 nan 8.250 nan 0.000 0.441 345 A N 1.255 124.010 122.820 -0.109 0.000 1.908 345 A HA -0.184 4.136 4.320 -0.000 0.000 0.218 345 A C 2.030 179.581 177.584 -0.056 0.000 1.181 345 A CA 1.840 53.848 52.037 -0.048 0.000 0.627 345 A CB -0.436 18.559 19.000 -0.008 0.000 0.818 345 A HN 0.479 nan 8.150 nan 0.000 0.445 346 E N -0.327 119.842 120.200 -0.052 0.000 2.106 346 E HA -0.085 4.265 4.350 -0.000 0.000 0.192 346 E C 2.324 178.834 176.600 -0.149 0.000 0.984 346 E CA 0.815 57.208 56.400 -0.012 0.000 0.806 346 E CB -0.269 29.493 29.700 0.104 0.000 0.750 346 E HN 0.631 nan 8.360 nan 0.000 0.458 347 A N 1.854 124.413 122.820 -0.435 0.000 1.855 347 A HA -0.197 4.123 4.320 -0.000 0.000 0.215 347 A C 2.047 179.377 177.584 -0.423 0.000 1.191 347 A CA 1.172 52.580 52.037 -1.047 0.000 0.613 347 A CB -0.266 18.070 19.000 -1.106 0.000 0.829 347 A HN 0.053 nan 8.150 nan 0.000 0.442 348 E N 0.065 120.165 120.200 -0.167 0.000 2.077 348 E HA -0.161 4.189 4.350 -0.000 0.000 0.193 348 E C 2.365 179.003 176.600 0.062 0.000 0.989 348 E CA 1.271 57.703 56.400 0.054 0.000 0.800 348 E CB -0.656 29.086 29.700 0.071 0.000 0.746 348 E HN 0.564 nan 8.360 nan 0.000 0.452 349 A N 0.880 123.695 122.820 -0.007 0.000 1.883 349 A HA -0.172 4.148 4.320 -0.000 0.000 0.217 349 A C 2.485 180.063 177.584 -0.009 0.000 1.186 349 A CA 2.230 54.264 52.037 -0.006 0.000 0.624 349 A CB -0.940 18.052 19.000 -0.014 0.000 0.822 349 A HN 0.247 nan 8.150 nan 0.000 0.444 350 T N -1.525 113.024 114.554 -0.009 0.000 2.821 350 T HA -0.129 4.220 4.350 -0.000 0.000 0.267 350 T C 1.820 176.553 174.700 0.055 0.000 1.046 350 T CA 1.460 63.576 62.100 0.026 0.000 1.139 350 T CB -0.411 68.517 68.868 0.101 0.000 0.871 350 T HN 0.520 nan 8.240 nan 0.000 0.454 351 Y N 2.163 122.405 120.300 -0.098 0.000 2.128 351 Y HA -0.148 4.402 4.550 -0.000 0.000 0.284 351 Y C 2.396 178.239 175.900 -0.095 0.000 1.154 351 Y CA 1.476 59.543 58.100 -0.055 0.000 1.149 351 Y CB -0.578 37.886 38.460 0.008 0.000 0.976 351 Y HN 0.297 nan 8.280 nan 0.000 0.505 352 E N -0.368 119.753 120.200 -0.133 0.000 2.072 352 E HA -0.150 4.200 4.350 -0.000 0.000 0.191 352 E C 2.288 178.646 176.600 -0.402 0.000 0.985 352 E CA 0.955 57.100 56.400 -0.425 0.000 0.801 352 E CB -0.246 29.382 29.700 -0.120 0.000 0.750 352 E HN 0.507 nan 8.360 nan 0.000 0.452 353 A N 1.084 123.788 122.820 -0.194 0.000 1.902 353 A HA -0.152 4.168 4.320 -0.000 0.000 0.217 353 A C 2.186 179.676 177.584 -0.157 0.000 1.181 353 A CA 1.036 52.984 52.037 -0.148 0.000 0.623 353 A CB -0.643 18.312 19.000 -0.076 0.000 0.818 353 A HN 0.289 nan 8.150 nan 0.000 0.443 354 L N -0.857 120.287 121.223 -0.132 0.000 2.046 354 L HA -0.214 4.126 4.340 -0.000 0.000 0.208 354 L C 3.077 179.831 176.870 -0.194 0.000 1.077 354 L CA 1.140 55.922 54.840 -0.097 0.000 0.747 354 L CB -0.495 41.544 42.059 -0.033 0.000 0.896 354 L HN 0.449 nan 8.230 nan 0.000 0.432 355 A N -0.798 121.779 122.820 -0.406 0.000 1.930 355 A HA -0.197 4.123 4.320 -0.000 0.000 0.217 355 A C 2.303 179.662 177.584 -0.375 0.000 1.175 355 A CA 1.318 53.039 52.037 -0.527 0.000 0.627 355 A CB -0.405 17.779 19.000 -1.360 0.000 0.815 355 A HN 0.352 nan 8.150 nan 0.000 0.443 356 E N 0.584 120.568 120.200 -0.361 0.000 2.153 356 E HA -0.127 4.223 4.350 -0.000 0.000 0.194 356 E C 1.874 178.396 176.600 -0.130 0.000 0.988 356 E CA 1.152 57.423 56.400 -0.215 0.000 0.811 356 E CB -0.244 29.347 29.700 -0.182 0.000 0.746 356 E HN 0.478 nan 8.360 nan 0.000 0.466 357 A N -0.376 122.375 122.820 -0.116 0.000 2.235 357 A HA 0.216 4.536 4.320 -0.000 0.000 0.208 357 A C 1.657 179.213 177.584 -0.047 0.000 1.172 357 A CA 1.210 53.209 52.037 -0.063 0.000 0.786 357 A CB -0.313 18.664 19.000 -0.038 0.000 0.804 357 A HN 0.385 nan 8.150 nan 0.000 0.479 358 G N -1.750 107.011 108.800 -0.064 0.000 2.157 358 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.239 358 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.239 358 G C 0.050 174.940 174.900 -0.016 0.000 0.982 358 G CA 0.155 45.236 45.100 -0.032 0.000 0.650 358 G HN 0.471 nan 8.290 nan 0.000 0.527 359 Q N 0.162 119.940 119.800 -0.036 0.000 2.299 359 Q HA 0.348 4.688 4.340 -0.000 0.000 0.246 359 Q C 0.508 176.497 176.000 -0.019 0.000 0.935 359 Q CA -0.326 55.458 55.803 -0.031 0.000 0.887 359 Q CB 0.678 29.381 28.738 -0.057 0.000 1.223 359 Q HN 0.220 nan 8.270 nan 0.000 0.439 360 R N 1.377 121.871 120.500 -0.010 0.000 2.288 360 R HA 0.282 4.622 4.340 -0.000 0.000 0.330 360 R C -0.435 175.854 176.300 -0.018 0.000 1.069 360 R CA -0.137 55.969 56.100 0.010 0.000 0.941 360 R CB -0.059 30.214 30.300 -0.044 0.000 0.998 360 R HN 0.342 nan 8.270 nan 0.000 0.452 361 V N 5.501 125.468 119.914 0.088 0.000 2.925 361 V HA 0.711 4.831 4.120 -0.000 0.000 0.311 361 V C -1.687 174.620 176.094 0.354 0.000 1.104 361 V CA -0.804 61.567 62.300 0.119 0.000 0.954 361 V CB 2.188 34.077 31.823 0.111 0.000 1.022 361 V HN 0.752 nan 8.190 nan 0.000 0.427 362 Y N 3.211 123.600 120.300 0.149 0.000 2.655 362 Y HA 0.974 5.524 4.550 -0.000 0.000 0.336 362 Y C -0.632 175.142 175.900 -0.210 0.000 1.154 362 Y CA -0.693 57.470 58.100 0.105 0.000 1.055 362 Y CB 1.490 39.925 38.460 -0.040 0.000 1.295 362 Y HN 0.938 nan 8.280 nan 0.000 0.465 363 A N 1.770 124.465 122.820 -0.207 0.000 2.435 363 A HA 0.803 5.123 4.320 -0.000 0.000 0.304 363 A C -2.001 175.374 177.584 -0.347 0.000 1.064 363 A CA -0.938 50.716 52.037 -0.637 0.000 0.727 363 A CB 1.532 19.771 19.000 -1.268 0.000 1.284 363 A HN 0.804 nan 8.150 nan 0.000 0.415 364 L N 1.826 122.757 121.223 -0.486 0.000 2.319 364 L HA 0.487 4.827 4.340 -0.000 0.000 0.281 364 L C -1.416 175.182 176.870 -0.453 0.000 1.005 364 L CA -0.219 54.442 54.840 -0.298 0.000 0.828 364 L CB 1.190 43.123 42.059 -0.211 0.000 1.227 364 L HN 0.686 nan 8.230 nan 0.000 0.415 365 F N 3.723 123.573 119.950 -0.167 0.000 2.404 365 F HA 0.451 4.978 4.527 -0.000 0.000 0.339 365 F C -0.085 175.622 175.800 -0.156 0.000 1.105 365 F CA -0.494 57.418 58.000 -0.146 0.000 1.087 365 F CB 1.384 40.315 39.000 -0.114 0.000 1.143 365 F HN 0.166 nan 8.300 nan 0.000 0.491 366 L N 5.700 126.953 121.223 0.050 0.000 2.329 366 L HA 0.455 4.795 4.340 -0.000 0.000 0.279 366 L C -1.701 175.203 176.870 0.058 0.000 1.014 366 L CA -2.065 52.772 54.840 -0.005 0.000 0.814 366 L CB 1.519 43.577 42.059 -0.002 0.000 1.257 366 L HN 0.279 nan 8.230 nan 0.000 0.424 367 P HA -0.123 nan 4.420 nan 0.000 0.216 367 P C -0.469 176.859 177.300 0.047 0.000 1.150 367 P CA 1.226 64.347 63.100 0.035 0.000 0.837 367 P CB 0.274 31.992 31.700 0.030 0.000 0.786 368 E N -3.342 116.897 120.200 0.065 0.000 2.417 368 E HA 0.111 4.461 4.350 -0.000 0.000 0.280 368 E C -1.480 175.186 176.600 0.110 0.000 1.112 368 E CA -0.722 55.717 56.400 0.065 0.000 0.863 368 E CB 0.539 30.246 29.700 0.012 0.000 1.346 368 E HN -0.326 nan 8.360 nan 0.000 0.443 369 V N 2.145 122.136 119.914 0.128 0.000 2.338 369 V HA 0.383 4.503 4.120 -0.000 0.000 0.255 369 V C 0.039 176.312 176.094 0.299 0.000 1.082 369 V CA 0.432 62.839 62.300 0.178 0.000 0.951 369 V CB -0.533 31.360 31.823 0.117 0.000 1.102 369 V HN 0.663 nan 8.190 nan 0.000 0.489 370 S N 4.451 120.347 115.700 0.327 0.000 2.627 370 S HA 0.644 5.114 4.470 -0.000 0.000 0.283 370 S C -2.354 172.261 174.600 0.025 0.000 1.127 370 S CA -1.614 56.727 58.200 0.235 0.000 0.863 370 S CB 2.427 65.700 63.200 0.122 0.000 1.121 370 S HN 0.251 nan 8.310 nan 0.000 0.479 371 P HA -0.138 nan 4.420 nan 0.000 0.216 371 P C 1.063 178.304 177.300 -0.098 0.000 1.153 371 P CA 1.198 63.888 63.100 -0.684 0.000 0.858 371 P CB -0.180 31.116 31.700 -0.673 0.000 0.789 372 Y N 0.663 120.908 120.300 -0.091 0.000 2.070 372 Y HA -0.246 4.304 4.550 -0.000 0.000 0.280 372 Y C 2.413 178.419 175.900 0.177 0.000 1.148 372 Y CA 2.081 60.213 58.100 0.053 0.000 1.125 372 Y CB -1.082 37.416 38.460 0.064 0.000 0.975 372 Y HN -0.125 nan 8.280 nan 0.000 0.492 373 A N -0.879 122.088 122.820 0.245 0.000 1.933 373 A HA -0.127 4.192 4.320 -0.000 0.000 0.218 373 A C 2.294 179.961 177.584 0.138 0.000 1.175 373 A CA 1.973 54.101 52.037 0.152 0.000 0.628 373 A CB -1.239 17.849 19.000 0.147 0.000 0.814 373 A HN 0.359 nan 8.150 nan 0.000 0.444 374 V N -0.275 119.748 119.914 0.181 0.000 2.453 374 V HA -0.094 4.026 4.120 -0.000 0.000 0.247 374 V C 2.772 178.944 176.094 0.130 0.000 1.048 374 V CA 1.645 64.054 62.300 0.181 0.000 1.049 374 V CB -1.262 30.762 31.823 0.334 0.000 0.672 374 V HN 0.595 nan 8.190 nan 0.000 0.457 375 G N -0.918 107.943 108.800 0.102 0.000 2.422 375 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.218 375 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.218 375 G C 1.416 176.403 174.900 0.145 0.000 1.146 375 G CA 0.683 45.823 45.100 0.067 0.000 0.769 375 G HN 0.546 nan 8.290 nan 0.000 0.547 376 W N 1.087 122.342 121.300 -0.074 0.000 2.354 376 W HA -0.030 4.630 4.660 -0.000 0.000 0.315 376 W C 2.186 178.758 176.519 0.089 0.000 1.206 376 W CA 1.127 58.448 57.345 -0.039 0.000 1.290 376 W CB -0.900 28.463 29.460 -0.161 0.000 1.152 376 W HN 0.208 nan 8.180 nan 0.000 0.489 377 L N 1.237 122.678 121.223 0.362 0.000 2.012 377 L HA -0.239 4.101 4.340 -0.000 0.000 0.210 377 L C 2.570 179.642 176.870 0.338 0.000 1.073 377 L CA 2.520 57.518 54.840 0.262 0.000 0.748 377 L CB -1.144 40.991 42.059 0.127 0.000 0.891 377 L HN -0.054 nan 8.230 nan 0.000 0.431 378 M N -1.327 118.400 119.600 0.211 0.000 2.086 378 M HA -0.245 4.235 4.480 -0.000 0.000 0.261 378 M C 2.360 178.887 176.300 0.379 0.000 1.067 378 M CA 2.067 57.462 55.300 0.159 0.000 1.116 378 M CB -0.427 31.997 32.600 -0.294 0.000 1.348 378 M HN 0.335 nan 8.290 nan 0.000 0.407 379 Q N -0.290 119.713 119.800 0.338 0.000 2.119 379 Q HA -0.213 4.127 4.340 -0.000 0.000 0.201 379 Q C 1.773 178.111 176.000 0.564 0.000 0.972 379 Q CA 1.923 57.971 55.803 0.408 0.000 0.847 379 Q CB -0.318 28.633 28.738 0.356 0.000 0.903 379 Q HN 0.643 nan 8.270 nan 0.000 0.433 380 H N -0.775 118.577 119.070 0.469 0.000 2.353 380 H HA -0.079 4.477 4.556 -0.000 0.000 0.300 380 H C 1.585 177.173 175.328 0.433 0.000 1.090 380 H CA 1.883 58.223 56.048 0.487 0.000 1.327 380 H CB -0.054 29.988 29.762 0.467 0.000 1.383 380 H HN 0.299 nan 8.280 nan 0.000 0.508 381 L N -0.306 121.274 121.223 0.596 0.000 2.141 381 L HA -0.148 4.192 4.340 -0.000 0.000 0.209 381 L C 2.605 179.613 176.870 0.230 0.000 1.094 381 L CA 1.070 56.187 54.840 0.462 0.000 0.763 381 L CB -0.285 42.072 42.059 0.496 0.000 0.908 381 L HN 0.445 nan 8.230 nan 0.000 0.437 382 M N -1.820 117.874 119.600 0.156 0.000 2.175 382 M HA -0.213 4.267 4.480 -0.000 0.000 0.264 382 M C 2.115 178.253 176.300 -0.269 0.000 1.063 382 M CA 2.055 57.238 55.300 -0.195 0.000 1.119 382 M CB -0.389 32.005 32.600 -0.343 0.000 1.377 382 M HN 0.262 nan 8.290 nan 0.000 0.415 383 W N 0.779 122.029 121.300 -0.084 0.000 2.379 383 W HA -0.202 4.458 4.660 0.000 0.000 0.307 383 W C 2.710 179.073 176.519 -0.260 0.000 1.200 383 W CA 1.538 58.779 57.345 -0.172 0.000 1.297 383 W CB -0.500 28.895 29.460 -0.108 0.000 1.140 383 W HN 0.328 nan 8.180 nan 0.000 0.507 384 Q N -0.148 119.774 119.800 0.203 0.000 2.077 384 Q HA -0.242 4.097 4.340 -0.000 0.000 0.206 384 Q C 1.821 177.899 176.000 0.130 0.000 0.989 384 Q CA 2.799 58.742 55.803 0.233 0.000 0.853 384 Q CB -0.534 28.341 28.738 0.228 0.000 0.907 384 Q HN 0.154 nan 8.270 nan 0.000 0.418 385 T N 0.680 115.258 114.554 0.039 0.000 2.746 385 T HA -0.096 4.254 4.350 -0.000 0.000 0.267 385 T C 1.825 176.457 174.700 -0.112 0.000 1.039 385 T CA 1.312 63.364 62.100 -0.080 0.000 1.142 385 T CB -0.423 68.350 68.868 -0.158 0.000 0.866 385 T HN 0.511 nan 8.240 nan 0.000 0.444 386 A N 1.047 123.830 122.820 -0.062 0.000 1.902 386 A HA 0.011 4.331 4.320 -0.000 0.000 0.217 386 A C 1.942 179.566 177.584 0.067 0.000 1.181 386 A CA 1.230 53.285 52.037 0.029 0.000 0.623 386 A CB -0.920 18.215 19.000 0.226 0.000 0.818 386 A HN 0.410 nan 8.150 nan 0.000 0.443 387 F N 0.055 120.090 119.950 0.142 0.000 2.134 387 F HA -0.102 4.425 4.527 -0.000 0.000 0.299 387 F C 2.107 177.848 175.800 -0.098 0.000 1.097 387 F CA 0.876 58.920 58.000 0.074 0.000 1.264 387 F CB -0.898 38.159 39.000 0.095 0.000 1.001 387 F HN 0.088 nan 8.300 nan 0.000 0.479 388 L N -0.598 120.602 121.223 -0.038 0.000 2.191 388 L HA -0.149 4.191 4.340 -0.000 0.000 0.212 388 L C 2.684 179.297 176.870 -0.428 0.000 1.103 388 L CA 1.197 55.769 54.840 -0.447 0.000 0.769 388 L CB -1.268 40.365 42.059 -0.711 0.000 0.908 388 L HN 0.257 nan 8.230 nan 0.000 0.438 389 G N -0.609 108.051 108.800 -0.233 0.000 2.422 389 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.218 389 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.218 389 G C 1.487 176.370 174.900 -0.029 0.000 1.146 389 G CA 0.406 45.410 45.100 -0.162 0.000 0.769 389 G HN 0.272 nan 8.290 nan 0.000 0.547 390 E N 0.429 120.642 120.200 0.022 0.000 2.051 390 E HA 0.050 4.400 4.350 -0.000 0.000 0.189 390 E C 2.728 179.360 176.600 0.052 0.000 0.979 390 E CA 0.235 56.679 56.400 0.072 0.000 0.803 390 E CB -0.438 29.339 29.700 0.128 0.000 0.761 390 E HN 0.423 nan 8.360 nan 0.000 0.451 391 L N -0.650 120.559 121.223 -0.023 0.000 2.131 391 L HA -0.143 4.196 4.340 -0.000 0.000 0.210 391 L C 1.793 178.817 176.870 0.256 0.000 1.092 391 L CA 0.857 55.666 54.840 -0.051 0.000 0.759 391 L CB -0.259 41.597 42.059 -0.338 0.000 0.903 391 L HN 0.204 nan 8.230 nan 0.000 0.435 392 W N -0.217 121.100 121.300 0.028 0.000 3.278 392 W HA 0.176 4.836 4.660 -0.000 0.000 0.308 392 W C 0.546 177.086 176.519 0.035 0.000 1.253 392 W CA -0.887 56.495 57.345 0.061 0.000 1.759 392 W CB -0.755 28.741 29.460 0.061 0.000 1.093 392 W HN 0.162 nan 8.180 nan 0.000 0.648 393 E N 0.015 120.346 120.200 0.218 0.000 2.252 393 E HA -0.165 4.185 4.350 -0.000 0.000 0.218 393 E C -0.161 176.505 176.600 0.111 0.000 1.253 393 E CA 0.574 57.055 56.400 0.135 0.000 0.705 393 E CB -2.025 27.744 29.700 0.116 0.000 1.172 393 E HN 0.117 nan 8.360 nan 0.000 0.369 394 V N -2.348 117.623 119.914 0.095 0.000 3.126 394 V HA 0.583 4.703 4.120 -0.000 0.000 0.314 394 V C 0.041 176.133 176.094 -0.003 0.000 1.138 394 V CA -1.243 61.089 62.300 0.053 0.000 1.034 394 V CB 2.203 34.066 31.823 0.067 0.000 1.075 394 V HN 0.164 nan 8.190 nan 0.000 0.442 395 N N 1.525 120.214 118.700 -0.019 0.000 2.469 395 N HA 0.439 5.179 4.740 -0.000 0.000 0.239 395 N C 0.630 176.032 175.510 -0.180 0.000 1.053 395 N CA 0.262 53.289 53.050 -0.038 0.000 0.937 395 N CB 1.395 39.894 38.487 0.021 0.000 1.163 395 N HN 1.035 nan 8.380 nan 0.000 0.509 396 A N 3.256 125.793 122.820 -0.471 0.000 2.238 396 A HA 0.105 4.425 4.320 -0.000 0.000 0.208 396 A C 0.293 177.353 177.584 -0.873 0.000 1.177 396 A CA 0.386 51.980 52.037 -0.738 0.000 0.804 396 A CB -0.423 18.000 19.000 -0.963 0.000 0.823 396 A HN 0.590 nan 8.150 nan 0.000 0.482 397 F N -0.000 119.948 119.950 -0.003 0.000 2.688 397 F HA 0.207 4.734 4.527 -0.000 0.000 0.310 397 F C 0.396 176.208 175.800 0.019 0.000 1.098 397 F CA -1.066 56.928 58.000 -0.009 0.000 1.228 397 F CB 0.289 39.236 39.000 -0.089 0.000 1.042 397 F HN 0.288 nan 8.300 nan 0.000 0.557 398 D N -0.441 120.015 120.400 0.092 0.000 2.654 398 D HA 0.377 5.017 4.640 -0.000 0.000 0.255 398 D C -0.403 175.915 176.300 0.029 0.000 1.101 398 D CA -0.672 53.371 54.000 0.071 0.000 1.116 398 D CB 0.802 41.638 40.800 0.060 0.000 1.348 398 D HN -0.002 nan 8.370 nan 0.000 0.609 399 Q N -1.495 118.319 119.800 0.023 0.000 3.853 399 Q HA 0.280 4.620 4.340 -0.000 0.000 0.220 399 Q C -2.563 173.441 176.000 0.006 0.000 0.826 399 Q CA -1.241 54.564 55.803 0.004 0.000 0.821 399 Q CB 0.708 29.447 28.738 0.002 0.000 1.546 399 Q HN 0.174 nan 8.270 nan 0.000 0.410 400 P HA -0.106 nan 4.420 nan 0.000 0.218 400 P C 1.448 178.750 177.300 0.004 0.000 1.148 400 P CA 2.041 65.145 63.100 0.008 0.000 0.822 400 P CB 0.017 31.722 31.700 0.008 0.000 0.784 401 G N 0.002 108.800 108.800 -0.002 0.000 2.471 401 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.219 401 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.219 401 G C 1.419 176.318 174.900 -0.002 0.000 1.125 401 G CA 0.865 45.962 45.100 -0.003 0.000 0.775 401 G HN 0.393 nan 8.290 nan 0.000 0.548 402 V N -1.939 117.974 119.914 -0.001 0.000 3.541 402 V HA 0.200 4.320 4.120 -0.000 0.000 0.267 402 V C 1.975 178.072 176.094 0.006 0.000 1.213 402 V CA 1.585 63.885 62.300 0.001 0.000 1.149 402 V CB 0.157 31.981 31.823 0.001 0.000 0.822 402 V HN 0.432 nan 8.190 nan 0.000 0.462 403 E N 0.469 120.674 120.200 0.007 0.000 2.051 403 E HA -0.245 4.104 4.350 -0.000 0.000 0.192 403 E C 2.075 178.680 176.600 0.008 0.000 0.991 403 E CA 1.736 58.141 56.400 0.009 0.000 0.799 403 E CB -0.174 29.532 29.700 0.010 0.000 0.748 403 E HN 0.553 nan 8.360 nan 0.000 0.449 404 L N 0.906 122.132 121.223 0.006 0.000 2.013 404 L HA -0.122 4.218 4.340 -0.000 0.000 0.212 404 L C 2.259 179.132 176.870 0.006 0.000 1.073 404 L CA 2.535 57.379 54.840 0.006 0.000 0.753 404 L CB -1.107 40.955 42.059 0.005 0.000 0.890 404 L HN 0.256 nan 8.230 nan 0.000 0.432 405 G N -0.939 107.864 108.800 0.006 0.000 2.440 405 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.218 405 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.218 405 G C 1.684 176.589 174.900 0.008 0.000 1.154 405 G CA 1.016 46.120 45.100 0.007 0.000 0.767 405 G HN 0.459 nan 8.290 nan 0.000 0.552 406 K N -0.113 120.293 120.400 0.009 0.000 2.057 406 K HA 0.015 4.335 4.320 -0.000 0.000 0.206 406 K C 2.579 179.184 176.600 0.009 0.000 1.050 406 K CA 0.987 57.280 56.287 0.010 0.000 0.935 406 K CB -0.304 32.203 32.500 0.011 0.000 0.715 406 K HN 0.209 nan 8.250 nan 0.000 0.439 407 V N 2.059 121.978 119.914 0.008 0.000 2.295 407 V HA -0.240 3.880 4.120 -0.000 0.000 0.246 407 V C 2.225 178.323 176.094 0.007 0.000 1.049 407 V CA 1.656 63.960 62.300 0.007 0.000 1.024 407 V CB -0.442 31.386 31.823 0.007 0.000 0.648 407 V HN 0.279 nan 8.190 nan 0.000 0.447 408 L N -0.471 120.756 121.223 0.006 0.000 2.131 408 L HA -0.165 4.174 4.340 -0.000 0.000 0.210 408 L C 2.591 179.465 176.870 0.006 0.000 1.092 408 L CA 1.751 56.594 54.840 0.006 0.000 0.759 408 L CB -1.034 41.028 42.059 0.006 0.000 0.903 408 L HN 0.364 nan 8.230 nan 0.000 0.435 409 T N -0.587 113.971 114.554 0.007 0.000 2.708 409 T HA -0.155 4.195 4.350 -0.000 0.000 0.266 409 T C 2.058 176.762 174.700 0.006 0.000 1.037 409 T CA 1.175 63.279 62.100 0.007 0.000 1.146 409 T CB -0.120 68.753 68.868 0.009 0.000 0.865 409 T HN 0.294 nan 8.240 nan 0.000 0.435 410 R N 0.807 121.311 120.500 0.006 0.000 2.092 410 R HA -0.019 4.321 4.340 -0.000 0.000 0.231 410 R C 2.561 178.864 176.300 0.004 0.000 1.119 410 R CA 1.092 57.195 56.100 0.005 0.000 0.970 410 R CB -0.190 30.113 30.300 0.005 0.000 0.864 410 R HN 0.348 nan 8.270 nan 0.000 0.440 411 K N 0.796 121.198 120.400 0.005 0.000 2.026 411 K HA -0.143 4.177 4.320 -0.000 0.000 0.208 411 K C 2.169 178.771 176.600 0.004 0.000 1.048 411 K CA 1.193 57.483 56.287 0.004 0.000 0.929 411 K CB 0.078 32.581 32.500 0.004 0.000 0.713 411 K HN 0.006 nan 8.250 nan 0.000 0.439 412 R N 0.676 121.179 120.500 0.004 0.000 2.080 412 R HA -0.126 4.214 4.340 -0.000 0.000 0.236 412 R C 2.469 178.772 176.300 0.003 0.000 1.137 412 R CA 1.351 57.454 56.100 0.004 0.000 0.943 412 R CB -0.832 29.471 30.300 0.005 0.000 0.846 412 R HN 0.317 nan 8.270 nan 0.000 0.431 413 L N 0.318 121.543 121.223 0.003 0.000 2.079 413 L HA -0.192 4.148 4.340 -0.000 0.000 0.210 413 L C 2.684 179.555 176.870 0.001 0.000 1.081 413 L CA 1.343 56.184 54.840 0.002 0.000 0.752 413 L CB -0.599 41.462 42.059 0.002 0.000 0.896 413 L HN 0.216 nan 8.230 nan 0.000 0.433 414 A N -0.627 122.194 122.820 0.002 0.000 1.841 414 A HA 0.276 4.596 4.320 -0.000 0.000 0.214 414 A C 1.296 178.880 177.584 0.001 0.000 1.195 414 A CA 1.388 53.426 52.037 0.001 0.000 0.611 414 A CB -0.725 18.276 19.000 0.002 0.000 0.835 414 A HN 0.503 nan 8.150 nan 0.000 0.443 415 G N 0.000 108.801 108.800 0.002 0.000 5.446 415 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 415 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 415 G CA 0.000 45.101 45.100 0.002 0.000 0.502 415 G HN 0.000 nan 8.290 nan 0.000 0.925