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 1ezv_1_B DATA FIRST_RESID 17 DATA SEQUENCE LTVSARDAPT KISTLAVKVH GGSRYATKDG VAHLLNRFNF QNTNTRSALK DATA SEQUENCE LVRESELLGG TFKSTLDREY ITLKATFLKD DLPYYVNALA DVLYKTAFKP DATA SEQUENCE HELTESVLPA ARYDYAVAEQ CPVKSAEDQL YAITFRKGLG NPLLYDGVER DATA SEQUENCE VSLQDIKDFA DKVYTKENLE VSGENVVEAD LKRFVDESLL STLPAGKSLV DATA SEQUENCE SKSEPKFFLG EENRVRFIGD SVAAIGIPVN KASLAQYEVL ANYLTSALSE DATA SEQUENCE LSGLISSAKL DKFTDGGLFT LFVRDQDSAV VSSNIKKIVA DLKKGKDLSP DATA SEQUENCE AINYTKLKNA VQNESVSSPI ELNFDAVKDF KLGKFNYVAV GDVSNLPYLD DATA SEQUENCE EL 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 17 L HA 0.000 nan 4.340 nan 0.000 0.249 17 L C 0.000 176.907 176.870 0.062 0.000 1.165 17 L CA 0.000 54.877 54.840 0.061 0.000 0.813 17 L CB 0.000 42.088 42.059 0.048 0.000 0.961 18 T N 0.407 115.006 114.554 0.075 0.000 2.738 18 T HA 0.380 4.730 4.350 -0.000 0.000 0.294 18 T C 0.513 175.257 174.700 0.075 0.000 0.914 18 T CA -0.216 61.927 62.100 0.071 0.000 1.052 18 T CB 1.498 70.415 68.868 0.082 0.000 0.897 18 T HN 0.127 nan 8.240 nan 0.000 0.522 19 V N 4.342 124.294 119.914 0.064 0.000 2.288 19 V HA 0.245 4.364 4.120 -0.000 0.000 0.266 19 V C 0.537 176.666 176.094 0.060 0.000 1.048 19 V CA -0.587 61.753 62.300 0.067 0.000 0.842 19 V CB 0.115 31.976 31.823 0.064 0.000 1.064 19 V HN 0.927 nan 8.190 nan 0.000 0.472 20 S N 2.928 118.665 115.700 0.062 0.000 2.681 20 S HA 0.948 5.418 4.470 -0.000 0.000 0.270 20 S C 0.296 174.927 174.600 0.052 0.000 1.209 20 S CA 0.049 58.280 58.200 0.051 0.000 0.988 20 S CB 1.992 65.220 63.200 0.048 0.000 1.006 20 S HN 1.127 nan 8.310 nan 0.000 0.558 21 A N 0.440 123.285 122.820 0.040 0.000 2.438 21 A HA 0.872 5.192 4.320 -0.000 0.000 0.301 21 A C -1.232 176.366 177.584 0.023 0.000 1.101 21 A CA -0.884 51.176 52.037 0.038 0.000 0.621 21 A CB 1.125 20.153 19.000 0.048 0.000 1.350 21 A HN 0.818 nan 8.150 nan 0.000 0.496 22 R N 0.546 121.057 120.500 0.018 0.000 4.264 22 R HA 0.318 4.658 4.340 -0.000 0.000 0.269 22 R C -2.053 174.248 176.300 0.001 0.000 1.051 22 R CA -0.178 55.926 56.100 0.007 0.000 1.332 22 R CB 0.628 30.927 30.300 -0.001 0.000 1.251 22 R HN 0.931 nan 8.270 nan 0.000 0.538 23 D N 2.094 122.495 120.400 0.003 0.000 2.383 23 D HA 0.794 5.434 4.640 -0.000 0.000 0.248 23 D C -0.773 175.521 176.300 -0.010 0.000 1.170 23 D CA 0.681 54.681 54.000 0.000 0.000 0.977 23 D CB 1.519 42.324 40.800 0.008 0.000 1.120 23 D HN 0.717 nan 8.370 nan 0.000 0.481 24 A N 0.709 123.520 122.820 -0.014 0.000 2.586 24 A HA 0.443 4.763 4.320 -0.000 0.000 0.291 24 A C -2.554 175.020 177.584 -0.018 0.000 1.062 24 A CA -0.950 51.076 52.037 -0.019 0.000 0.666 24 A CB 1.337 20.320 19.000 -0.029 0.000 1.281 24 A HN 0.488 nan 8.150 nan 0.000 0.421 25 P HA 0.144 nan 4.420 nan 0.000 0.244 25 P C 0.439 177.726 177.300 -0.021 0.000 1.632 25 P CA 0.566 63.658 63.100 -0.014 0.000 0.944 25 P CB -0.443 31.250 31.700 -0.011 0.000 1.569 26 T N -2.877 111.658 114.554 -0.032 0.000 2.893 26 T HA 0.381 4.731 4.350 -0.000 0.000 0.279 26 T C 0.975 175.646 174.700 -0.049 0.000 0.991 26 T CA -0.541 61.533 62.100 -0.043 0.000 0.950 26 T CB 1.732 70.567 68.868 -0.056 0.000 1.223 26 T HN -0.147 nan 8.240 nan 0.000 0.585 27 K N -0.631 119.732 120.400 -0.061 0.000 2.380 27 K HA 0.301 4.621 4.320 -0.000 0.000 0.198 27 K C -0.131 176.405 176.600 -0.106 0.000 1.070 27 K CA -0.106 56.144 56.287 -0.062 0.000 1.040 27 K CB 0.525 32.998 32.500 -0.045 0.000 0.903 27 K HN 0.457 nan 8.250 nan 0.000 0.549 28 I N 2.022 122.503 120.570 -0.148 0.000 2.355 28 I HA 0.196 4.366 4.170 -0.000 0.000 0.288 28 I C -0.102 175.812 176.117 -0.339 0.000 0.999 28 I CA -0.247 60.910 61.300 -0.240 0.000 1.163 28 I CB 1.356 39.238 38.000 -0.197 0.000 1.316 28 I HN -0.128 nan 8.210 nan 0.000 0.454 29 S N 4.002 119.345 115.700 -0.596 0.000 2.651 29 S HA 0.626 5.096 4.470 -0.000 0.000 0.291 29 S C 0.315 174.313 174.600 -1.003 0.000 1.141 29 S CA -0.582 57.182 58.200 -0.726 0.000 1.027 29 S CB 2.000 64.755 63.200 -0.742 0.000 1.043 29 S HN 0.686 nan 8.310 nan 0.000 0.530 30 T N 2.103 116.319 114.554 -0.563 0.000 3.078 30 T HA 0.316 4.666 4.350 -0.000 0.000 0.328 30 T C -0.510 174.167 174.700 -0.039 0.000 0.987 30 T CA -0.690 61.212 62.100 -0.329 0.000 1.049 30 T CB 0.074 68.822 68.868 -0.199 0.000 1.011 30 T HN 0.377 nan 8.240 nan 0.000 0.463 31 L N 3.549 124.906 121.223 0.224 0.000 2.467 31 L HA 0.725 5.065 4.340 -0.000 0.000 0.270 31 L C 0.323 177.301 176.870 0.181 0.000 1.205 31 L CA 0.465 55.463 54.840 0.264 0.000 0.828 31 L CB 0.755 43.039 42.059 0.375 0.000 1.101 31 L HN 1.006 nan 8.230 nan 0.000 0.479 32 A N 3.834 126.748 122.820 0.156 0.000 2.500 32 A HA 0.521 4.841 4.320 -0.000 0.000 0.291 32 A C -1.286 176.378 177.584 0.134 0.000 1.048 32 A CA -0.489 51.630 52.037 0.136 0.000 0.791 32 A CB 1.150 20.196 19.000 0.076 0.000 1.309 32 A HN 0.298 nan 8.150 nan 0.000 0.397 33 V N 4.071 124.082 119.914 0.162 0.000 2.277 33 V HA 0.232 4.352 4.120 -0.000 0.000 0.269 33 V C 0.225 176.415 176.094 0.159 0.000 1.036 33 V CA -0.397 61.999 62.300 0.160 0.000 0.821 33 V CB 0.790 32.720 31.823 0.177 0.000 1.052 33 V HN 0.815 nan 8.190 nan 0.000 0.462 34 K N 3.182 123.656 120.400 0.123 0.000 2.270 34 K HA 0.634 4.954 4.320 -0.000 0.000 0.276 34 K C -0.775 175.964 176.600 0.231 0.000 1.023 34 K CA -0.284 56.082 56.287 0.132 0.000 0.955 34 K CB 1.657 34.147 32.500 -0.015 0.000 0.975 34 K HN 0.400 nan 8.250 nan 0.000 0.471 35 V N 3.094 123.173 119.914 0.275 0.000 2.711 35 V HA 0.056 4.176 4.120 -0.000 0.000 0.304 35 V C -0.557 175.562 176.094 0.041 0.000 1.097 35 V CA -0.905 61.490 62.300 0.158 0.000 0.906 35 V CB 1.681 33.582 31.823 0.130 0.000 1.015 35 V HN 0.791 nan 8.190 nan 0.000 0.427 36 H N 4.083 123.156 119.070 0.004 0.000 3.216 36 H HA 0.328 4.884 4.556 -0.000 0.000 0.263 36 H C 0.822 176.177 175.328 0.045 0.000 1.601 36 H CA 0.677 56.694 56.048 -0.053 0.000 1.509 36 H CB 0.616 30.237 29.762 -0.234 0.000 1.759 36 H HN 0.856 nan 8.280 nan 0.000 0.533 37 G N 1.910 110.857 108.800 0.245 0.000 5.253 37 G HA2 0.176 4.136 3.960 -0.000 0.000 0.238 37 G HA3 0.176 4.136 3.960 -0.000 0.000 0.238 37 G C 0.748 175.876 174.900 0.380 0.000 0.867 37 G CA -0.043 45.258 45.100 0.335 0.000 0.717 37 G HN 0.609 nan 8.290 nan 0.000 0.405 38 G N 0.506 109.448 108.800 0.237 0.000 2.516 38 G HA2 0.379 4.339 3.960 -0.000 0.000 0.276 38 G HA3 0.379 4.339 3.960 -0.000 0.000 0.276 38 G C 1.483 176.385 174.900 0.003 0.000 1.390 38 G CA 0.655 45.812 45.100 0.093 0.000 1.050 38 G HN 0.619 nan 8.290 nan 0.000 0.519 39 S N -0.856 114.799 115.700 -0.075 0.000 2.440 39 S HA -0.128 4.342 4.470 -0.000 0.000 0.238 39 S C 2.175 176.672 174.600 -0.171 0.000 1.010 39 S CA 0.860 58.996 58.200 -0.107 0.000 0.972 39 S CB -0.258 62.875 63.200 -0.111 0.000 0.774 39 S HN 0.493 nan 8.310 nan 0.000 0.501 40 R N 1.187 121.481 120.500 -0.343 0.000 2.115 40 R HA -0.108 4.232 4.340 -0.000 0.000 0.239 40 R C -0.050 176.006 176.300 -0.407 0.000 1.133 40 R CA 1.474 57.253 56.100 -0.534 0.000 0.935 40 R CB -0.557 29.147 30.300 -0.995 0.000 0.853 40 R HN 0.653 nan 8.270 nan 0.000 0.433 41 Y N -0.565 119.754 120.300 0.032 0.000 2.595 41 Y HA 0.581 5.131 4.550 -0.000 0.000 0.336 41 Y C -0.157 175.883 175.900 0.233 0.000 0.996 41 Y CA -0.800 57.356 58.100 0.093 0.000 1.260 41 Y CB 1.048 39.548 38.460 0.066 0.000 1.108 41 Y HN 0.025 nan 8.280 nan 0.000 0.509 42 A N 1.563 124.525 122.820 0.235 0.000 2.476 42 A HA 0.385 4.705 4.320 -0.000 0.000 0.280 42 A C 0.895 178.525 177.584 0.076 0.000 1.081 42 A CA -0.251 51.849 52.037 0.105 0.000 0.753 42 A CB 1.031 19.971 19.000 -0.100 0.000 1.248 42 A HN 0.732 nan 8.150 nan 0.000 0.424 43 T N 1.164 115.801 114.554 0.138 0.000 2.746 43 T HA -0.022 4.328 4.350 -0.000 0.000 0.267 43 T C 0.806 175.523 174.700 0.027 0.000 1.039 43 T CA 1.850 64.009 62.100 0.099 0.000 1.142 43 T CB -0.315 68.639 68.868 0.143 0.000 0.866 43 T HN 0.623 nan 8.240 nan 0.000 0.444 44 K N 0.868 121.254 120.400 -0.023 0.000 2.340 44 K HA 0.406 4.726 4.320 -0.000 0.000 0.244 44 K C -1.483 175.091 176.600 -0.043 0.000 0.973 44 K CA -0.910 55.364 56.287 -0.023 0.000 0.828 44 K CB 1.434 33.927 32.500 -0.012 0.000 1.226 44 K HN 0.053 nan 8.250 nan 0.000 0.437 45 D N 0.440 120.840 120.400 -0.001 0.000 2.401 45 D HA 0.185 4.825 4.640 -0.000 0.000 0.254 45 D C 1.028 177.377 176.300 0.082 0.000 1.192 45 D CA 1.410 55.415 54.000 0.008 0.000 0.885 45 D CB 0.548 41.344 40.800 -0.007 0.000 1.147 45 D HN 0.767 nan 8.370 nan 0.000 0.478 46 G N 1.338 110.164 108.800 0.045 0.000 2.179 46 G HA2 -0.332 3.628 3.960 -0.000 0.000 0.260 46 G HA3 -0.332 3.628 3.960 -0.000 0.000 0.260 46 G C 1.254 176.175 174.900 0.034 0.000 0.977 46 G CA 0.261 45.448 45.100 0.145 0.000 0.641 46 G HN 0.457 nan 8.290 nan 0.000 0.533 47 V N 0.614 120.440 119.914 -0.147 0.000 2.594 47 V HA 0.011 4.131 4.120 -0.000 0.000 0.253 47 V C 3.131 178.985 176.094 -0.400 0.000 1.069 47 V CA 2.845 64.962 62.300 -0.306 0.000 1.082 47 V CB -0.795 30.768 31.823 -0.434 0.000 0.680 47 V HN 0.919 nan 8.190 nan 0.000 0.469 48 A N -0.406 122.145 122.820 -0.449 0.000 1.930 48 A HA -0.248 4.072 4.320 -0.000 0.000 0.217 48 A C 2.155 179.769 177.584 0.051 0.000 1.175 48 A CA 1.920 53.812 52.037 -0.242 0.000 0.627 48 A CB -0.737 18.181 19.000 -0.137 0.000 0.815 48 A HN 0.664 nan 8.150 nan 0.000 0.443 49 H N 0.454 119.497 119.070 -0.044 0.000 2.290 49 H HA -0.054 4.501 4.556 -0.000 0.000 0.298 49 H C 1.741 177.096 175.328 0.045 0.000 1.087 49 H CA 2.052 58.117 56.048 0.029 0.000 1.291 49 H CB -0.498 29.296 29.762 0.052 0.000 1.369 49 H HN 0.344 nan 8.280 nan 0.000 0.492 50 L N -0.541 120.625 121.223 -0.095 0.000 2.079 50 L HA -0.167 4.173 4.340 -0.000 0.000 0.210 50 L C 2.559 179.493 176.870 0.107 0.000 1.081 50 L CA 1.114 55.866 54.840 -0.148 0.000 0.752 50 L CB -0.463 41.474 42.059 -0.203 0.000 0.896 50 L HN 0.290 nan 8.230 nan 0.000 0.433 51 L N 0.092 121.417 121.223 0.169 0.000 2.072 51 L HA -0.191 4.149 4.340 -0.000 0.000 0.205 51 L C 2.206 179.279 176.870 0.338 0.000 1.079 51 L CA 1.685 56.727 54.840 0.336 0.000 0.752 51 L CB -0.889 41.375 42.059 0.342 0.000 0.906 51 L HN 0.276 nan 8.230 nan 0.000 0.436 52 N N -0.542 118.313 118.700 0.259 0.000 2.166 52 N HA -0.259 4.481 4.740 -0.000 0.000 0.186 52 N C 1.925 177.571 175.510 0.226 0.000 1.019 52 N CA 0.921 54.125 53.050 0.257 0.000 0.856 52 N CB 0.050 38.692 38.487 0.257 0.000 0.993 52 N HN 0.190 nan 8.380 nan 0.000 0.426 53 R N -0.307 120.283 120.500 0.150 0.000 2.236 53 R HA 0.100 4.440 4.340 -0.000 0.000 0.208 53 R C 1.530 177.861 176.300 0.052 0.000 1.036 53 R CA 0.640 56.779 56.100 0.064 0.000 1.001 53 R CB -0.433 29.802 30.300 -0.108 0.000 0.896 53 R HN 0.275 nan 8.270 nan 0.000 0.464 54 F N -0.076 119.911 119.950 0.062 0.000 2.664 54 F HA 0.149 4.676 4.527 -0.000 0.000 0.296 54 F C 0.150 175.919 175.800 -0.051 0.000 1.125 54 F CA -0.185 57.835 58.000 0.033 0.000 1.444 54 F CB 0.187 39.283 39.000 0.160 0.000 1.114 54 F HN -0.013 nan 8.300 nan 0.000 0.576 55 N N 0.367 119.175 118.700 0.181 0.000 2.454 55 N HA 0.039 4.779 4.740 -0.000 0.000 0.254 55 N C -0.361 175.115 175.510 -0.057 0.000 1.228 55 N CA 0.419 53.407 53.050 -0.104 0.000 0.900 55 N CB 0.052 38.435 38.487 -0.173 0.000 1.089 55 N HN 0.136 nan 8.380 nan 0.000 0.449 56 F N -1.923 117.996 119.950 -0.052 0.000 2.840 56 F HA -0.303 4.224 4.527 -0.000 0.000 0.310 56 F C 1.176 176.924 175.800 -0.087 0.000 0.688 56 F CA 0.188 58.119 58.000 -0.116 0.000 1.286 56 F CB -1.134 37.815 39.000 -0.086 0.000 1.612 56 F HN 0.533 nan 8.300 nan 0.000 0.335 57 Q N 0.600 120.426 119.800 0.043 0.000 2.552 57 Q HA 0.161 4.501 4.340 -0.000 0.000 0.191 57 Q C 0.559 176.529 176.000 -0.049 0.000 1.171 57 Q CA 0.157 55.968 55.803 0.014 0.000 1.183 57 Q CB 0.012 28.796 28.738 0.076 0.000 2.088 57 Q HN 0.157 nan 8.270 nan 0.000 0.621 58 N N 1.081 119.744 118.700 -0.062 0.000 2.497 58 N HA 0.079 4.819 4.740 -0.000 0.000 0.271 58 N C -0.113 175.295 175.510 -0.170 0.000 1.142 58 N CA 0.127 53.123 53.050 -0.090 0.000 0.965 58 N CB 0.724 39.175 38.487 -0.060 0.000 1.077 58 N HN 0.479 nan 8.380 nan 0.000 0.462 59 T N -0.875 113.587 114.554 -0.152 0.000 2.867 59 T HA 0.283 4.633 4.350 -0.000 0.000 0.286 59 T C 0.984 175.613 174.700 -0.117 0.000 1.022 59 T CA -0.525 61.474 62.100 -0.169 0.000 0.933 59 T CB 0.648 69.426 68.868 -0.151 0.000 1.280 59 T HN 0.247 nan 8.240 nan 0.000 0.566 60 N N 0.185 118.826 118.700 -0.098 0.000 2.422 60 N HA 0.055 4.795 4.740 -0.000 0.000 0.181 60 N C 1.670 177.155 175.510 -0.041 0.000 1.080 60 N CA 1.162 54.175 53.050 -0.062 0.000 0.893 60 N CB -0.025 38.431 38.487 -0.051 0.000 0.973 60 N HN 0.897 nan 8.380 nan 0.000 0.456 61 T N -3.590 110.936 114.554 -0.046 0.000 2.959 61 T HA 0.320 4.670 4.350 -0.000 0.000 0.254 61 T C 0.707 175.386 174.700 -0.034 0.000 1.003 61 T CA -0.196 61.884 62.100 -0.034 0.000 0.950 61 T CB 0.889 69.738 68.868 -0.032 0.000 1.090 61 T HN -0.146 nan 8.240 nan 0.000 0.503 62 R N 2.021 122.492 120.500 -0.048 0.000 2.538 62 R HA 0.551 4.891 4.340 -0.000 0.000 0.292 62 R C -0.627 175.647 176.300 -0.043 0.000 1.008 62 R CA -0.201 55.874 56.100 -0.042 0.000 0.896 62 R CB 1.941 32.205 30.300 -0.059 0.000 1.187 62 R HN 0.366 nan 8.270 nan 0.000 0.440 63 S N 2.412 118.099 115.700 -0.022 0.000 2.592 63 S HA 0.303 4.773 4.470 -0.000 0.000 0.271 63 S C 1.354 175.946 174.600 -0.014 0.000 1.326 63 S CA -0.136 58.055 58.200 -0.014 0.000 1.024 63 S CB 1.738 64.941 63.200 0.004 0.000 0.921 63 S HN 0.748 nan 8.310 nan 0.000 0.527 64 A N 1.939 124.753 122.820 -0.009 0.000 1.958 64 A HA -0.132 4.188 4.320 -0.000 0.000 0.221 64 A C 2.013 179.606 177.584 0.015 0.000 1.178 64 A CA 1.914 53.954 52.037 0.004 0.000 0.642 64 A CB -1.082 17.927 19.000 0.015 0.000 0.816 64 A HN 1.060 nan 8.150 nan 0.000 0.453 65 L N -0.222 121.011 121.223 0.016 0.000 1.994 65 L HA -0.137 4.203 4.340 -0.000 0.000 0.208 65 L C 2.305 179.189 176.870 0.023 0.000 1.071 65 L CA 2.827 57.679 54.840 0.020 0.000 0.745 65 L CB -0.587 41.482 42.059 0.017 0.000 0.892 65 L HN 0.439 nan 8.230 nan 0.000 0.431 66 K N -0.960 119.452 120.400 0.019 0.000 2.097 66 K HA -0.203 4.117 4.320 -0.000 0.000 0.206 66 K C 2.148 178.775 176.600 0.045 0.000 1.049 66 K CA 1.579 57.881 56.287 0.025 0.000 0.933 66 K CB -0.313 32.197 32.500 0.017 0.000 0.717 66 K HN 0.326 nan 8.250 nan 0.000 0.442 67 L N 0.843 122.087 121.223 0.035 0.000 2.012 67 L HA -0.181 4.159 4.340 -0.000 0.000 0.210 67 L C 1.971 178.914 176.870 0.122 0.000 1.073 67 L CA 1.601 56.472 54.840 0.052 0.000 0.748 67 L CB -0.553 41.472 42.059 -0.057 0.000 0.891 67 L HN 0.017 nan 8.230 nan 0.000 0.431 68 V N 0.102 120.069 119.914 0.089 0.000 2.295 68 V HA -0.244 3.876 4.120 -0.000 0.000 0.246 68 V C 2.792 178.941 176.094 0.091 0.000 1.049 68 V CA 1.829 64.196 62.300 0.111 0.000 1.024 68 V CB -0.820 31.045 31.823 0.071 0.000 0.648 68 V HN 0.442 nan 8.190 nan 0.000 0.447 69 R N 0.064 120.599 120.500 0.058 0.000 2.092 69 R HA -0.115 4.225 4.340 -0.000 0.000 0.231 69 R C 2.113 178.428 176.300 0.024 0.000 1.119 69 R CA 1.216 57.337 56.100 0.035 0.000 0.970 69 R CB -0.597 29.715 30.300 0.021 0.000 0.864 69 R HN 0.621 nan 8.270 nan 0.000 0.440 70 E N 0.714 120.934 120.200 0.032 0.000 2.028 70 E HA -0.113 4.237 4.350 -0.000 0.000 0.190 70 E C 1.970 178.530 176.600 -0.067 0.000 0.984 70 E CA 1.579 57.962 56.400 -0.028 0.000 0.800 70 E CB 0.072 29.774 29.700 0.004 0.000 0.758 70 E HN 0.365 nan 8.360 nan 0.000 0.448 71 S N 0.816 116.561 115.700 0.075 0.000 2.399 71 S HA -0.175 4.295 4.470 -0.000 0.000 0.231 71 S C 1.742 176.402 174.600 0.099 0.000 1.022 71 S CA 0.973 59.255 58.200 0.136 0.000 0.983 71 S CB -0.275 63.189 63.200 0.441 0.000 0.803 71 S HN 0.227 nan 8.310 nan 0.000 0.480 72 E N 0.795 121.040 120.200 0.075 0.000 2.077 72 E HA -0.046 4.304 4.350 -0.000 0.000 0.193 72 E C 1.884 178.494 176.600 0.018 0.000 0.989 72 E CA 0.951 57.380 56.400 0.048 0.000 0.800 72 E CB -0.207 29.516 29.700 0.039 0.000 0.746 72 E HN 0.325 nan 8.360 nan 0.000 0.452 73 L N 0.704 121.923 121.223 -0.008 0.000 2.141 73 L HA -0.123 4.217 4.340 -0.000 0.000 0.209 73 L C 2.206 179.054 176.870 -0.037 0.000 1.094 73 L CA 1.321 56.145 54.840 -0.027 0.000 0.763 73 L CB -0.825 41.207 42.059 -0.045 0.000 0.908 73 L HN 0.213 nan 8.230 nan 0.000 0.437 74 L N -0.737 120.453 121.223 -0.056 0.000 2.044 74 L HA 0.043 4.383 4.340 -0.000 0.000 0.205 74 L C 1.098 177.993 176.870 0.042 0.000 1.075 74 L CA 1.070 55.885 54.840 -0.041 0.000 0.747 74 L CB -0.378 41.610 42.059 -0.118 0.000 0.903 74 L HN 0.484 nan 8.230 nan 0.000 0.435 75 G N -0.259 108.586 108.800 0.075 0.000 2.610 75 G HA2 0.128 4.087 3.960 -0.000 0.000 0.136 75 G HA3 0.128 4.087 3.960 -0.000 0.000 0.136 75 G C -0.159 174.794 174.900 0.088 0.000 1.070 75 G CA -0.453 44.686 45.100 0.065 0.000 0.812 75 G HN 0.581 nan 8.290 nan 0.000 0.495 76 G N -0.723 108.151 108.800 0.123 0.000 2.720 76 G HA2 1.024 4.984 3.960 -0.000 0.000 0.295 76 G HA3 1.024 4.984 3.960 -0.000 0.000 0.295 76 G C -0.396 174.506 174.900 0.003 0.000 1.437 76 G CA 0.648 45.773 45.100 0.041 0.000 0.886 76 G HN 1.520 nan 8.290 nan 0.000 0.509 77 T N -1.598 112.869 114.554 -0.145 0.000 2.930 77 T HA 0.836 5.186 4.350 -0.000 0.000 0.290 77 T C -0.747 173.712 174.700 -0.402 0.000 1.052 77 T CA -0.740 61.270 62.100 -0.150 0.000 1.017 77 T CB 1.812 70.644 68.868 -0.059 0.000 1.137 77 T HN 0.271 nan 8.240 nan 0.000 0.511 78 F N 0.223 120.079 119.950 -0.157 0.000 2.631 78 F HA 0.900 5.426 4.527 -0.000 0.000 0.350 78 F C 0.160 175.738 175.800 -0.371 0.000 1.080 78 F CA -0.862 56.891 58.000 -0.411 0.000 1.026 78 F CB 1.802 40.150 39.000 -1.086 0.000 1.347 78 F HN 0.801 nan 8.300 nan 0.000 0.501 79 K N 0.218 120.520 120.400 -0.162 0.000 2.688 79 K HA 0.385 4.705 4.320 -0.000 0.000 0.270 79 K C -1.903 174.880 176.600 0.305 0.000 1.013 79 K CA -0.289 56.037 56.287 0.065 0.000 0.924 79 K CB 1.351 33.889 32.500 0.063 0.000 1.378 79 K HN 0.503 nan 8.250 nan 0.000 0.402 80 S N 2.776 118.691 115.700 0.359 0.000 2.756 80 S HA 0.635 5.105 4.470 -0.000 0.000 0.303 80 S C -1.127 173.630 174.600 0.263 0.000 1.135 80 S CA -0.346 58.090 58.200 0.394 0.000 1.066 80 S CB 0.735 64.222 63.200 0.479 0.000 1.008 80 S HN 0.544 nan 8.310 nan 0.000 0.482 81 T N 4.663 119.346 114.554 0.215 0.000 2.902 81 T HA 0.577 4.927 4.350 -0.000 0.000 0.283 81 T C -0.724 174.077 174.700 0.168 0.000 1.009 81 T CA -0.549 61.650 62.100 0.165 0.000 1.051 81 T CB 1.298 70.239 68.868 0.120 0.000 0.999 81 T HN 0.524 nan 8.240 nan 0.000 0.474 82 L N 2.256 123.565 121.223 0.144 0.000 2.322 82 L HA 0.642 4.982 4.340 -0.000 0.000 0.281 82 L C -0.818 176.113 176.870 0.101 0.000 1.014 82 L CA -0.231 54.690 54.840 0.135 0.000 0.815 82 L CB 1.424 43.560 42.059 0.129 0.000 1.247 82 L HN 0.560 nan 8.230 nan 0.000 0.421 83 D N 1.241 121.717 120.400 0.126 0.000 2.569 83 D HA 0.408 5.048 4.640 -0.000 0.000 0.266 83 D C 0.442 176.782 176.300 0.066 0.000 1.164 83 D CA -0.431 53.643 54.000 0.124 0.000 1.071 83 D CB 1.211 42.147 40.800 0.227 0.000 1.183 83 D HN 0.418 nan 8.370 nan 0.000 0.613 84 R N 0.163 120.703 120.500 0.067 0.000 2.236 84 R HA 0.068 4.408 4.340 -0.000 0.000 0.208 84 R C 1.124 177.355 176.300 -0.115 0.000 1.036 84 R CA 1.356 57.424 56.100 -0.052 0.000 1.001 84 R CB 0.171 30.430 30.300 -0.068 0.000 0.896 84 R HN 0.486 nan 8.270 nan 0.000 0.464 85 E N -2.405 117.799 120.200 0.007 0.000 2.441 85 E HA 0.076 4.426 4.350 -0.000 0.000 0.207 85 E C -0.732 175.854 176.600 -0.023 0.000 0.803 85 E CA -0.068 56.266 56.400 -0.110 0.000 1.240 85 E CB 0.375 30.037 29.700 -0.063 0.000 1.233 85 E HN 0.109 nan 8.360 nan 0.000 0.590 86 Y N 0.622 120.960 120.300 0.064 0.000 2.387 86 Y HA 0.426 4.976 4.550 -0.000 0.000 0.336 86 Y C 0.013 175.957 175.900 0.072 0.000 1.067 86 Y CA -0.519 57.600 58.100 0.033 0.000 1.114 86 Y CB 1.406 39.864 38.460 -0.003 0.000 1.208 86 Y HN -0.036 nan 8.280 nan 0.000 0.458 87 I N 3.483 124.213 120.570 0.266 0.000 2.307 87 I HA 0.234 4.404 4.170 -0.000 0.000 0.289 87 I C -0.605 175.654 176.117 0.237 0.000 1.021 87 I CA -0.288 61.150 61.300 0.231 0.000 1.224 87 I CB 0.913 39.035 38.000 0.202 0.000 1.376 87 I HN 0.586 nan 8.210 nan 0.000 0.470 88 T N 7.383 122.062 114.554 0.207 0.000 2.758 88 T HA 0.473 4.822 4.350 -0.000 0.000 0.285 88 T C -0.222 174.615 174.700 0.229 0.000 0.981 88 T CA -0.479 61.725 62.100 0.174 0.000 0.965 88 T CB 1.031 69.949 68.868 0.084 0.000 0.927 88 T HN 0.148 nan 8.240 nan 0.000 0.448 89 L N 4.046 125.424 121.223 0.257 0.000 2.270 89 L HA 0.460 4.800 4.340 -0.000 0.000 0.286 89 L C 0.418 177.500 176.870 0.354 0.000 1.059 89 L CA 0.010 55.066 54.840 0.359 0.000 0.839 89 L CB 0.492 42.728 42.059 0.295 0.000 1.221 89 L HN 0.427 nan 8.230 nan 0.000 0.431 90 K N 2.309 122.912 120.400 0.338 0.000 2.156 90 K HA 0.924 5.244 4.320 -0.000 0.000 0.250 90 K C -1.058 175.675 176.600 0.222 0.000 0.955 90 K CA -0.725 55.699 56.287 0.228 0.000 0.855 90 K CB 1.759 34.338 32.500 0.130 0.000 1.101 90 K HN 0.579 nan 8.250 nan 0.000 0.434 91 A N 2.079 124.989 122.820 0.150 0.000 2.402 91 A HA 0.435 4.755 4.320 -0.000 0.000 0.291 91 A C -1.226 176.375 177.584 0.029 0.000 1.051 91 A CA -0.658 51.383 52.037 0.007 0.000 0.716 91 A CB 1.553 20.586 19.000 0.055 0.000 1.223 91 A HN 0.603 nan 8.150 nan 0.000 0.425 92 T N 2.800 117.280 114.554 -0.124 0.000 2.797 92 T HA 0.779 5.128 4.350 -0.000 0.000 0.279 92 T C -0.597 173.964 174.700 -0.232 0.000 0.991 92 T CA -0.088 61.884 62.100 -0.214 0.000 0.979 92 T CB 0.260 69.020 68.868 -0.179 0.000 0.943 92 T HN 0.930 nan 8.240 nan 0.000 0.444 93 F N -0.021 119.661 119.950 -0.447 0.000 2.817 93 F HA 0.665 5.191 4.527 -0.000 0.000 0.317 93 F C -1.667 173.969 175.800 -0.274 0.000 1.168 93 F CA -1.853 55.846 58.000 -0.501 0.000 0.911 93 F CB 0.768 39.080 39.000 -1.147 0.000 1.337 93 F HN 0.272 nan 8.300 nan 0.000 0.464 94 L N 2.216 123.465 121.223 0.043 0.000 2.417 94 L HA 0.315 4.655 4.340 -0.000 0.000 0.268 94 L C 1.570 178.526 176.870 0.145 0.000 1.158 94 L CA -0.502 54.355 54.840 0.029 0.000 0.819 94 L CB 1.011 43.108 42.059 0.063 0.000 1.112 94 L HN 0.868 nan 8.230 nan 0.000 0.458 95 K N 1.266 121.686 120.400 0.033 0.000 2.020 95 K HA -0.183 4.137 4.320 -0.000 0.000 0.212 95 K C 0.905 177.627 176.600 0.204 0.000 1.050 95 K CA 1.871 58.196 56.287 0.064 0.000 0.929 95 K CB 0.131 32.639 32.500 0.012 0.000 0.714 95 K HN 0.669 nan 8.250 nan 0.000 0.443 96 D N 0.906 121.400 120.400 0.157 0.000 2.352 96 D HA -0.055 4.585 4.640 -0.000 0.000 0.232 96 D C 0.015 176.412 176.300 0.162 0.000 1.055 96 D CA 0.622 54.711 54.000 0.148 0.000 0.891 96 D CB 0.165 41.024 40.800 0.098 0.000 0.897 96 D HN 0.231 nan 8.370 nan 0.000 0.529 97 D N 0.075 120.614 120.400 0.232 0.000 2.424 97 D HA 0.066 4.706 4.640 -0.000 0.000 0.220 97 D C 1.978 178.361 176.300 0.138 0.000 1.150 97 D CA -0.257 53.861 54.000 0.197 0.000 0.831 97 D CB 0.548 41.531 40.800 0.305 0.000 0.981 97 D HN 0.146 nan 8.370 nan 0.000 0.500 98 L N 1.828 123.130 121.223 0.132 0.000 2.013 98 L HA -0.147 4.193 4.340 -0.000 0.000 0.212 98 L C -0.532 176.225 176.870 -0.189 0.000 1.073 98 L CA 2.038 56.901 54.840 0.037 0.000 0.753 98 L CB -0.915 41.281 42.059 0.228 0.000 0.890 98 L HN 0.081 nan 8.230 nan 0.000 0.432 99 P HA -0.273 nan 4.420 nan 0.000 0.216 99 P C 1.321 178.405 177.300 -0.360 0.000 1.150 99 P CA 1.670 64.318 63.100 -0.754 0.000 0.837 99 P CB -0.267 30.841 31.700 -0.986 0.000 0.786 100 Y N 0.298 120.393 120.300 -0.342 0.000 2.128 100 Y HA -0.240 4.310 4.550 -0.000 0.000 0.284 100 Y C 2.345 178.013 175.900 -0.387 0.000 1.154 100 Y CA 1.727 59.603 58.100 -0.373 0.000 1.149 100 Y CB -1.175 36.995 38.460 -0.482 0.000 0.976 100 Y HN -0.167 nan 8.280 nan 0.000 0.505 101 Y N -1.492 118.622 120.300 -0.310 0.000 2.395 101 Y HA -0.107 4.443 4.550 -0.000 0.000 0.293 101 Y C 2.430 178.239 175.900 -0.152 0.000 1.123 101 Y CA 1.054 58.992 58.100 -0.270 0.000 1.227 101 Y CB -0.646 37.441 38.460 -0.622 0.000 1.012 101 Y HN -0.041 nan 8.280 nan 0.000 0.552 102 V N 0.288 120.165 119.914 -0.063 0.000 2.307 102 V HA -0.298 3.822 4.120 -0.000 0.000 0.245 102 V C 1.563 177.618 176.094 -0.065 0.000 1.045 102 V CA 2.265 64.555 62.300 -0.017 0.000 1.024 102 V CB -0.620 31.191 31.823 -0.020 0.000 0.651 102 V HN 0.410 nan 8.190 nan 0.000 0.449 103 N N 0.097 118.693 118.700 -0.173 0.000 2.331 103 N HA -0.014 4.726 4.740 -0.000 0.000 0.180 103 N C 1.798 177.173 175.510 -0.224 0.000 1.019 103 N CA 1.125 54.062 53.050 -0.188 0.000 0.881 103 N CB -0.314 38.041 38.487 -0.220 0.000 0.972 103 N HN 0.467 nan 8.380 nan 0.000 0.435 104 A N 0.754 123.388 122.820 -0.311 0.000 1.873 104 A HA -0.064 4.256 4.320 -0.000 0.000 0.215 104 A C 2.060 179.578 177.584 -0.110 0.000 1.186 104 A CA 0.993 52.861 52.037 -0.282 0.000 0.616 104 A CB -0.770 18.050 19.000 -0.300 0.000 0.823 104 A HN 0.191 nan 8.150 nan 0.000 0.442 105 L N -0.693 120.559 121.223 0.047 0.000 2.083 105 L HA -0.201 4.139 4.340 -0.000 0.000 0.209 105 L C 3.102 179.951 176.870 -0.035 0.000 1.083 105 L CA 0.986 55.870 54.840 0.073 0.000 0.752 105 L CB -0.588 41.583 42.059 0.185 0.000 0.899 105 L HN 0.453 nan 8.230 nan 0.000 0.433 106 A N -0.302 122.496 122.820 -0.037 0.000 1.865 106 A HA -0.279 4.041 4.320 -0.000 0.000 0.217 106 A C 2.090 179.638 177.584 -0.061 0.000 1.191 106 A CA 2.046 54.056 52.037 -0.045 0.000 0.623 106 A CB -0.679 18.290 19.000 -0.053 0.000 0.826 106 A HN 0.378 nan 8.150 nan 0.000 0.444 107 D N -0.360 119.981 120.400 -0.097 0.000 2.133 107 D HA -0.134 4.506 4.640 -0.000 0.000 0.195 107 D C 2.078 178.288 176.300 -0.150 0.000 0.997 107 D CA 1.769 55.710 54.000 -0.099 0.000 0.840 107 D CB -0.056 40.659 40.800 -0.141 0.000 0.947 107 D HN 0.225 nan 8.370 nan 0.000 0.452 108 V N 1.074 120.847 119.914 -0.234 0.000 2.307 108 V HA -0.220 3.900 4.120 -0.000 0.000 0.245 108 V C 2.657 178.506 176.094 -0.408 0.000 1.045 108 V CA 1.079 63.161 62.300 -0.364 0.000 1.024 108 V CB -0.427 31.076 31.823 -0.533 0.000 0.651 108 V HN 0.175 nan 8.190 nan 0.000 0.449 109 L N -1.538 119.466 121.223 -0.365 0.000 2.093 109 L HA -0.182 4.158 4.340 -0.000 0.000 0.208 109 L C 2.455 179.162 176.870 -0.272 0.000 1.085 109 L CA 1.839 56.391 54.840 -0.481 0.000 0.755 109 L CB -0.643 41.280 42.059 -0.227 0.000 0.904 109 L HN 0.347 nan 8.230 nan 0.000 0.435 110 Y N 1.247 121.413 120.300 -0.224 0.000 2.301 110 Y HA -0.053 4.497 4.550 -0.000 0.000 0.295 110 Y C 1.392 177.220 175.900 -0.121 0.000 1.119 110 Y CA 0.715 58.734 58.100 -0.136 0.000 1.162 110 Y CB 0.463 38.863 38.460 -0.100 0.000 1.046 110 Y HN 0.076 nan 8.280 nan 0.000 0.538 111 K N 0.408 120.696 120.400 -0.186 0.000 3.394 111 K HA 0.231 4.551 4.320 -0.000 0.000 0.166 111 K C -0.893 175.567 176.600 -0.233 0.000 1.063 111 K CA -0.217 55.942 56.287 -0.213 0.000 0.764 111 K CB -0.399 32.042 32.500 -0.098 0.000 0.870 111 K HN 0.071 nan 8.250 nan 0.000 0.556 112 T N -1.497 112.848 114.554 -0.349 0.000 2.884 112 T HA 0.365 4.715 4.350 -0.000 0.000 0.298 112 T C 1.468 175.807 174.700 -0.601 0.000 0.998 112 T CA -0.176 61.590 62.100 -0.556 0.000 1.124 112 T CB 1.824 70.158 68.868 -0.890 0.000 0.931 112 T HN 0.339 nan 8.240 nan 0.000 0.531 113 A N 2.502 125.051 122.820 -0.452 0.000 1.930 113 A HA 0.169 4.489 4.320 -0.000 0.000 0.217 113 A C 0.995 178.456 177.584 -0.205 0.000 1.175 113 A CA 0.356 52.240 52.037 -0.254 0.000 0.627 113 A CB -1.132 17.773 19.000 -0.158 0.000 0.815 113 A HN 0.985 nan 8.150 nan 0.000 0.443 114 F N -0.947 118.840 119.950 -0.272 0.000 2.969 114 F HA -0.171 4.356 4.527 -0.000 0.000 0.273 114 F C 0.277 175.991 175.800 -0.143 0.000 0.986 114 F CA 0.319 58.067 58.000 -0.420 0.000 0.926 114 F CB -1.810 36.874 39.000 -0.526 0.000 0.887 114 F HN 0.088 nan 8.300 nan 0.000 0.816 115 K N 0.727 121.132 120.400 0.008 0.000 2.350 115 K HA 0.133 4.452 4.320 -0.000 0.000 0.279 115 K C -1.293 175.292 176.600 -0.025 0.000 1.027 115 K CA -1.499 54.740 56.287 -0.081 0.000 0.969 115 K CB 0.409 32.692 32.500 -0.361 0.000 0.954 115 K HN -0.032 nan 8.250 nan 0.000 0.474 116 P HA -0.168 nan 4.420 nan 0.000 0.218 116 P C 1.000 178.350 177.300 0.084 0.000 1.148 116 P CA 1.386 64.533 63.100 0.079 0.000 0.822 116 P CB -0.024 31.726 31.700 0.084 0.000 0.784 117 H N -0.870 118.244 119.070 0.073 0.000 2.512 117 H HA 0.154 4.710 4.556 -0.000 0.000 0.279 117 H C 1.310 176.652 175.328 0.024 0.000 0.999 117 H CA 0.618 56.690 56.048 0.040 0.000 1.283 117 H CB -0.443 29.336 29.762 0.027 0.000 1.421 117 H HN 0.181 nan 8.280 nan 0.000 0.554 118 E N 0.742 120.791 120.200 -0.251 0.000 2.150 118 E HA -0.097 4.252 4.350 -0.000 0.000 0.193 118 E C 2.220 178.699 176.600 -0.201 0.000 0.985 118 E CA 0.639 56.943 56.400 -0.161 0.000 0.814 118 E CB 0.106 29.726 29.700 -0.133 0.000 0.752 118 E HN 0.237 nan 8.360 nan 0.000 0.466 119 L N 1.386 122.564 121.223 -0.074 0.000 1.970 119 L HA -0.186 4.154 4.340 -0.000 0.000 0.212 119 L C 2.584 179.400 176.870 -0.091 0.000 1.071 119 L CA 2.593 57.372 54.840 -0.101 0.000 0.751 119 L CB -1.061 41.057 42.059 0.099 0.000 0.889 119 L HN 0.190 nan 8.230 nan 0.000 0.432 120 T N -4.131 110.418 114.554 -0.009 0.000 2.951 120 T HA -0.088 4.262 4.350 -0.000 0.000 0.268 120 T C 1.610 176.311 174.700 0.002 0.000 1.073 120 T CA 1.368 63.473 62.100 0.008 0.000 1.134 120 T CB -0.367 68.526 68.868 0.042 0.000 0.884 120 T HN 0.523 nan 8.240 nan 0.000 0.479 121 E N 0.359 120.562 120.200 0.005 0.000 2.307 121 E HA 0.173 4.523 4.350 -0.000 0.000 0.195 121 E C 1.757 178.341 176.600 -0.027 0.000 0.975 121 E CA 0.488 56.894 56.400 0.009 0.000 0.878 121 E CB 0.404 30.136 29.700 0.054 0.000 0.845 121 E HN 0.465 nan 8.360 nan 0.000 0.488 122 S N -0.716 114.936 115.700 -0.080 0.000 2.930 122 S HA 0.062 4.532 4.470 -0.000 0.000 0.253 122 S C 1.807 176.312 174.600 -0.157 0.000 1.083 122 S CA -0.181 57.955 58.200 -0.106 0.000 0.836 122 S CB 0.659 63.788 63.200 -0.117 0.000 0.814 122 S HN -0.051 nan 8.310 nan 0.000 0.467 123 V N 2.526 122.277 119.914 -0.271 0.000 2.379 123 V HA 0.090 4.210 4.120 -0.000 0.000 0.243 123 V C 2.096 178.068 176.094 -0.202 0.000 1.035 123 V CA 1.240 63.336 62.300 -0.339 0.000 1.035 123 V CB -0.566 30.842 31.823 -0.692 0.000 0.673 123 V HN 0.339 nan 8.190 nan 0.000 0.457 124 L N -0.138 120.995 121.223 -0.149 0.000 2.046 124 L HA -0.099 4.241 4.340 -0.000 0.000 0.208 124 L C 0.032 176.914 176.870 0.019 0.000 1.077 124 L CA 1.734 56.540 54.840 -0.056 0.000 0.747 124 L CB -1.764 40.283 42.059 -0.020 0.000 0.896 124 L HN 0.347 nan 8.230 nan 0.000 0.432 125 P HA -0.202 nan 4.420 nan 0.000 0.214 125 P C 1.499 178.853 177.300 0.090 0.000 1.163 125 P CA 1.927 65.055 63.100 0.046 0.000 0.889 125 P CB -0.019 31.686 31.700 0.009 0.000 0.790 126 A N -0.355 122.498 122.820 0.055 0.000 1.933 126 A HA -0.110 4.210 4.320 -0.000 0.000 0.218 126 A C 2.286 179.997 177.584 0.212 0.000 1.175 126 A CA 2.080 54.197 52.037 0.132 0.000 0.628 126 A CB -1.543 17.494 19.000 0.062 0.000 0.814 126 A HN 0.205 nan 8.150 nan 0.000 0.444 127 A N -0.702 122.171 122.820 0.089 0.000 1.929 127 A HA -0.035 4.284 4.320 -0.000 0.000 0.216 127 A C 2.167 179.943 177.584 0.319 0.000 1.176 127 A CA 1.637 53.739 52.037 0.108 0.000 0.628 127 A CB -0.343 18.552 19.000 -0.175 0.000 0.816 127 A HN 0.413 nan 8.150 nan 0.000 0.444 128 R N -1.518 119.137 120.500 0.258 0.000 2.092 128 R HA -0.124 4.216 4.340 -0.000 0.000 0.231 128 R C 1.953 178.431 176.300 0.296 0.000 1.119 128 R CA 1.755 58.021 56.100 0.277 0.000 0.970 128 R CB -0.684 29.738 30.300 0.203 0.000 0.864 128 R HN 0.740 nan 8.270 nan 0.000 0.440 129 Y N 0.874 121.258 120.300 0.140 0.000 2.220 129 Y HA -0.135 4.415 4.550 -0.000 0.000 0.291 129 Y C 1.398 177.369 175.900 0.118 0.000 1.129 129 Y CA 1.586 59.748 58.100 0.104 0.000 1.161 129 Y CB -0.253 38.251 38.460 0.074 0.000 0.997 129 Y HN 0.029 nan 8.280 nan 0.000 0.522 130 D N -0.169 120.228 120.400 -0.006 0.000 2.106 130 D HA -0.259 4.381 4.640 -0.000 0.000 0.191 130 D C 1.935 178.224 176.300 -0.018 0.000 0.997 130 D CA 1.948 55.897 54.000 -0.085 0.000 0.834 130 D CB -0.908 40.032 40.800 0.233 0.000 0.956 130 D HN 0.505 nan 8.370 nan 0.000 0.448 131 Y N 1.283 121.597 120.300 0.022 0.000 2.274 131 Y HA -0.112 4.438 4.550 -0.000 0.000 0.290 131 Y C 2.125 178.006 175.900 -0.031 0.000 1.145 131 Y CA 1.214 59.311 58.100 -0.005 0.000 1.203 131 Y CB -0.383 38.107 38.460 0.050 0.000 0.984 131 Y HN -0.049 nan 8.280 nan 0.000 0.533 132 A N -0.965 121.783 122.820 -0.120 0.000 1.897 132 A HA -0.073 4.247 4.320 -0.000 0.000 0.215 132 A C 2.341 179.810 177.584 -0.192 0.000 1.181 132 A CA 1.610 53.544 52.037 -0.173 0.000 0.620 132 A CB -1.177 17.820 19.000 -0.005 0.000 0.821 132 A HN 0.263 nan 8.150 nan 0.000 0.443 133 V N -0.017 119.764 119.914 -0.222 0.000 2.332 133 V HA -0.259 3.861 4.120 -0.000 0.000 0.248 133 V C 2.962 178.947 176.094 -0.182 0.000 1.055 133 V CA 2.032 64.203 62.300 -0.214 0.000 1.038 133 V CB -1.132 30.492 31.823 -0.332 0.000 0.651 133 V HN 0.593 nan 8.190 nan 0.000 0.450 134 A N -0.838 121.857 122.820 -0.209 0.000 2.016 134 A HA -0.147 4.173 4.320 -0.000 0.000 0.217 134 A C 2.222 179.677 177.584 -0.214 0.000 1.162 134 A CA 1.250 53.175 52.037 -0.187 0.000 0.662 134 A CB -0.400 18.509 19.000 -0.151 0.000 0.812 134 A HN 0.586 nan 8.150 nan 0.000 0.450 135 E N -0.576 119.434 120.200 -0.316 0.000 2.418 135 E HA -0.135 4.215 4.350 -0.000 0.000 0.197 135 E C 1.290 177.863 176.600 -0.046 0.000 1.026 135 E CA 0.739 56.959 56.400 -0.298 0.000 0.862 135 E CB 0.023 29.414 29.700 -0.514 0.000 0.799 135 E HN 0.740 nan 8.360 nan 0.000 0.518 136 Q N -0.949 118.835 119.800 -0.028 0.000 2.189 136 Q HA 0.162 4.502 4.340 -0.000 0.000 0.223 136 Q C -0.542 175.525 176.000 0.110 0.000 0.828 136 Q CA -0.254 55.616 55.803 0.112 0.000 0.967 136 Q CB 1.406 30.160 28.738 0.026 0.000 1.139 136 Q HN 0.094 nan 8.270 nan 0.000 0.497 137 C N 2.359 121.633 119.300 -0.043 0.000 2.251 137 C HA 0.449 4.909 4.460 -0.000 0.000 0.323 137 C C -1.584 173.243 174.990 -0.272 0.000 1.241 137 C CA -2.181 56.764 59.018 -0.123 0.000 1.601 137 C CB 0.673 28.332 27.740 -0.134 0.000 2.251 137 C HN 0.303 nan 8.230 nan 0.000 0.488 138 P HA -0.053 nan 4.420 nan 0.000 0.236 138 P C 1.314 178.351 177.300 -0.439 0.000 1.177 138 P CA 1.190 63.885 63.100 -0.674 0.000 0.773 138 P CB -0.105 31.065 31.700 -0.884 0.000 0.878 139 V N -1.627 118.057 119.914 -0.384 0.000 2.548 139 V HA -0.069 4.050 4.120 -0.000 0.000 0.249 139 V C 2.221 178.044 176.094 -0.451 0.000 1.055 139 V CA 1.326 63.325 62.300 -0.500 0.000 1.065 139 V CB -1.423 29.987 31.823 -0.689 0.000 0.681 139 V HN -0.051 nan 8.190 nan 0.000 0.462 140 K N 1.054 121.258 120.400 -0.327 0.000 2.155 140 K HA -0.004 4.316 4.320 -0.000 0.000 0.203 140 K C 2.401 178.913 176.600 -0.146 0.000 1.052 140 K CA 1.445 57.605 56.287 -0.213 0.000 0.948 140 K CB -0.228 32.164 32.500 -0.179 0.000 0.728 140 K HN 0.566 nan 8.250 nan 0.000 0.448 141 S N 1.129 116.714 115.700 -0.192 0.000 2.399 141 S HA -0.134 4.336 4.470 -0.000 0.000 0.231 141 S C 2.077 176.618 174.600 -0.099 0.000 1.022 141 S CA 1.176 59.286 58.200 -0.149 0.000 0.983 141 S CB -0.120 62.934 63.200 -0.243 0.000 0.803 141 S HN 0.392 nan 8.310 nan 0.000 0.480 142 A N 1.653 124.404 122.820 -0.114 0.000 1.854 142 A HA -0.057 4.263 4.320 -0.000 0.000 0.214 142 A C 2.054 179.705 177.584 0.112 0.000 1.192 142 A CA 1.334 53.362 52.037 -0.015 0.000 0.611 142 A CB -0.669 18.343 19.000 0.020 0.000 0.832 142 A HN 0.503 nan 8.150 nan 0.000 0.442 143 E N -0.218 120.080 120.200 0.163 0.000 2.130 143 E HA -0.282 4.068 4.350 -0.000 0.000 0.196 143 E C 1.409 178.196 176.600 0.313 0.000 0.998 143 E CA 1.673 58.261 56.400 0.314 0.000 0.806 143 E CB -0.170 29.686 29.700 0.260 0.000 0.738 143 E HN 0.621 nan 8.360 nan 0.000 0.459 144 D N -0.407 120.082 120.400 0.149 0.000 2.144 144 D HA -0.137 4.503 4.640 -0.000 0.000 0.200 144 D C 2.011 178.398 176.300 0.145 0.000 0.978 144 D CA 0.749 54.824 54.000 0.124 0.000 0.833 144 D CB 0.093 40.916 40.800 0.039 0.000 0.961 144 D HN 0.076 nan 8.370 nan 0.000 0.470 145 Q N -0.214 119.641 119.800 0.091 0.000 2.167 145 Q HA -0.075 4.265 4.340 -0.000 0.000 0.202 145 Q C 2.000 178.038 176.000 0.062 0.000 0.970 145 Q CA 0.516 56.352 55.803 0.055 0.000 0.855 145 Q CB -0.171 28.570 28.738 0.004 0.000 0.911 145 Q HN 0.288 nan 8.270 nan 0.000 0.438 146 L N -0.678 120.598 121.223 0.088 0.000 2.027 146 L HA -0.148 4.192 4.340 -0.000 0.000 0.206 146 L C 2.056 178.911 176.870 -0.025 0.000 1.074 146 L CA 1.651 56.498 54.840 0.011 0.000 0.745 146 L CB -1.238 40.815 42.059 -0.009 0.000 0.898 146 L HN 0.209 nan 8.230 nan 0.000 0.433 147 Y N -0.523 119.799 120.300 0.037 0.000 2.165 147 Y HA -0.227 4.323 4.550 -0.000 0.000 0.286 147 Y C 2.442 178.388 175.900 0.077 0.000 1.155 147 Y CA 1.512 59.675 58.100 0.105 0.000 1.164 147 Y CB -0.622 37.968 38.460 0.217 0.000 0.978 147 Y HN 0.201 nan 8.280 nan 0.000 0.513 148 A N -0.073 122.870 122.820 0.206 0.000 2.066 148 A HA -0.068 4.252 4.320 -0.000 0.000 0.218 148 A C 2.029 179.642 177.584 0.048 0.000 1.157 148 A CA 1.583 53.695 52.037 0.124 0.000 0.670 148 A CB -1.057 17.992 19.000 0.083 0.000 0.804 148 A HN 0.646 nan 8.150 nan 0.000 0.453 149 I N -3.246 117.328 120.570 0.006 0.000 3.339 149 I HA 0.024 4.194 4.170 -0.000 0.000 0.285 149 I C 2.203 178.297 176.117 -0.038 0.000 1.201 149 I CA 1.190 62.473 61.300 -0.028 0.000 1.434 149 I CB -0.890 37.100 38.000 -0.017 0.000 1.152 149 I HN 0.208 nan 8.210 nan 0.000 0.443 150 T N 1.437 115.905 114.554 -0.143 0.000 2.571 150 T HA -0.030 4.320 4.350 -0.000 0.000 0.255 150 T C 0.575 175.250 174.700 -0.042 0.000 1.100 150 T CA 0.751 62.700 62.100 -0.252 0.000 1.199 150 T CB -1.304 67.074 68.868 -0.818 0.000 0.870 150 T HN 0.231 nan 8.240 nan 0.000 0.399 151 F N 1.969 122.065 119.950 0.242 0.000 2.405 151 F HA 0.591 5.118 4.527 -0.000 0.000 0.358 151 F C 1.516 177.400 175.800 0.141 0.000 1.151 151 F CA -1.319 56.815 58.000 0.223 0.000 1.161 151 F CB 0.185 39.286 39.000 0.169 0.000 1.245 151 F HN -0.030 nan 8.300 nan 0.000 0.545 152 R N 1.305 121.950 120.500 0.242 0.000 2.280 152 R HA 0.012 4.352 4.340 -0.000 0.000 0.207 152 R C 1.065 177.409 176.300 0.073 0.000 1.043 152 R CA 0.930 57.066 56.100 0.059 0.000 1.006 152 R CB 0.072 30.278 30.300 -0.156 0.000 0.885 152 R HN 0.565 nan 8.270 nan 0.000 0.467 153 K N -1.883 118.589 120.400 0.121 0.000 2.769 153 K HA 0.086 4.406 4.320 -0.000 0.000 0.155 153 K C 0.144 176.780 176.600 0.060 0.000 1.162 153 K CA 0.069 56.400 56.287 0.074 0.000 1.149 153 K CB 1.055 33.584 32.500 0.049 0.000 0.871 153 K HN 0.200 nan 8.250 nan 0.000 0.440 154 G N 0.412 109.257 108.800 0.076 0.000 2.478 154 G HA2 0.101 4.061 3.960 -0.000 0.000 0.211 154 G HA3 0.101 4.061 3.960 -0.000 0.000 0.211 154 G C 0.613 175.455 174.900 -0.097 0.000 1.726 154 G CA -0.221 44.864 45.100 -0.024 0.000 0.725 154 G HN 0.044 nan 8.290 nan 0.000 0.654 155 L N 2.065 123.203 121.223 -0.143 0.000 2.599 155 L HA 0.308 4.648 4.340 -0.000 0.000 0.230 155 L C 2.398 179.410 176.870 0.236 0.000 1.141 155 L CA 0.983 55.739 54.840 -0.139 0.000 0.877 155 L CB -0.036 41.740 42.059 -0.471 0.000 1.009 155 L HN 0.327 nan 8.230 nan 0.000 0.447 156 G N -1.352 107.634 108.800 0.310 0.000 3.141 156 G HA2 -0.026 3.934 3.960 -0.000 0.000 0.218 156 G HA3 -0.026 3.934 3.960 -0.000 0.000 0.218 156 G C 0.567 175.546 174.900 0.131 0.000 1.170 156 G CA -0.323 44.963 45.100 0.309 0.000 0.769 156 G HN 0.203 nan 8.290 nan 0.000 0.546 157 N N 1.680 120.412 118.700 0.054 0.000 2.518 157 N HA 0.222 4.962 4.740 -0.000 0.000 0.266 157 N C -2.550 172.948 175.510 -0.020 0.000 1.196 157 N CA -1.353 51.698 53.050 0.002 0.000 0.947 157 N CB 0.969 39.437 38.487 -0.033 0.000 1.098 157 N HN -0.042 nan 8.380 nan 0.000 0.450 158 P HA -0.064 nan 4.420 nan 0.000 0.262 158 P C 0.921 178.187 177.300 -0.057 0.000 1.182 158 P CA -0.158 62.922 63.100 -0.033 0.000 0.761 158 P CB 0.548 32.227 31.700 -0.035 0.000 0.795 159 L N 5.073 126.249 121.223 -0.078 0.000 2.027 159 L HA -0.007 4.333 4.340 -0.000 0.000 0.206 159 L C 0.586 177.390 176.870 -0.110 0.000 1.074 159 L CA 1.859 56.638 54.840 -0.102 0.000 0.745 159 L CB -0.425 41.559 42.059 -0.126 0.000 0.898 159 L HN 0.258 nan 8.230 nan 0.000 0.433 160 L N -1.919 119.235 121.223 -0.114 0.000 2.330 160 L HA 0.236 4.575 4.340 -0.000 0.000 0.271 160 L C -0.760 176.132 176.870 0.038 0.000 1.013 160 L CA -1.068 53.668 54.840 -0.173 0.000 0.816 160 L CB 1.140 43.065 42.059 -0.223 0.000 1.287 160 L HN -0.056 nan 8.230 nan 0.000 0.435 161 Y N 1.435 121.837 120.300 0.170 0.000 2.442 161 Y HA 0.072 4.622 4.550 -0.000 0.000 0.330 161 Y C 0.238 175.997 175.900 -0.234 0.000 1.129 161 Y CA 0.135 58.249 58.100 0.023 0.000 1.365 161 Y CB 0.789 39.301 38.460 0.086 0.000 1.233 161 Y HN 0.750 nan 8.280 nan 0.000 0.529 162 D N 1.865 121.675 120.400 -0.984 0.000 2.538 162 D HA 0.185 4.825 4.640 -0.000 0.000 0.241 162 D C 1.003 176.749 176.300 -0.924 0.000 1.297 162 D CA 0.258 53.596 54.000 -1.103 0.000 0.804 162 D CB 0.321 40.394 40.800 -1.211 0.000 1.122 162 D HN 0.863 nan 8.370 nan 0.000 0.519 163 G N 0.753 108.788 108.800 -1.276 0.000 2.143 163 G HA2 -0.329 3.631 3.960 -0.000 0.000 0.248 163 G HA3 -0.329 3.631 3.960 -0.000 0.000 0.248 163 G C 1.182 175.907 174.900 -0.292 0.000 0.991 163 G CA 0.694 45.371 45.100 -0.705 0.000 0.689 163 G HN 0.847 nan 8.290 nan 0.000 0.522 164 V N -1.860 117.895 119.914 -0.264 0.000 2.427 164 V HA 0.222 4.342 4.120 -0.000 0.000 0.248 164 V C 1.012 177.065 176.094 -0.068 0.000 1.051 164 V CA 2.052 64.272 62.300 -0.134 0.000 1.048 164 V CB -0.437 31.317 31.823 -0.115 0.000 0.666 164 V HN 0.903 nan 8.190 nan 0.000 0.456 165 E N 0.496 120.669 120.200 -0.045 0.000 2.256 165 E HA 0.485 4.835 4.350 -0.000 0.000 0.267 165 E C -0.855 175.778 176.600 0.055 0.000 0.892 165 E CA -1.197 55.205 56.400 0.003 0.000 0.775 165 E CB 1.347 31.050 29.700 0.006 0.000 1.207 165 E HN 0.212 nan 8.360 nan 0.000 0.420 166 R N 1.439 121.971 120.500 0.053 0.000 2.585 166 R HA 0.145 4.485 4.340 -0.000 0.000 0.275 166 R C -0.450 175.901 176.300 0.084 0.000 1.018 166 R CA -0.205 55.941 56.100 0.077 0.000 1.072 166 R CB 0.130 30.456 30.300 0.043 0.000 0.953 166 R HN 0.387 nan 8.270 nan 0.000 0.419 167 V N 2.617 122.590 119.914 0.098 0.000 2.409 167 V HA 0.141 4.261 4.120 -0.000 0.000 0.290 167 V C 0.443 176.522 176.094 -0.026 0.000 1.017 167 V CA -0.694 61.613 62.300 0.011 0.000 0.841 167 V CB 1.551 33.337 31.823 -0.062 0.000 1.003 167 V HN 0.974 nan 8.190 nan 0.000 0.426 168 S N 4.931 120.619 115.700 -0.021 0.000 2.681 168 S HA 0.471 4.941 4.470 -0.000 0.000 0.270 168 S C 1.139 175.718 174.600 -0.035 0.000 1.209 168 S CA -0.624 57.564 58.200 -0.019 0.000 0.988 168 S CB 1.208 64.400 63.200 -0.012 0.000 1.006 168 S HN 0.566 nan 8.310 nan 0.000 0.558 169 L N 0.110 121.323 121.223 -0.017 0.000 2.131 169 L HA -0.128 4.212 4.340 -0.000 0.000 0.210 169 L C 2.759 179.559 176.870 -0.116 0.000 1.092 169 L CA 1.876 56.702 54.840 -0.024 0.000 0.759 169 L CB -0.627 41.443 42.059 0.018 0.000 0.903 169 L HN 0.879 nan 8.230 nan 0.000 0.435 170 Q N 0.263 120.008 119.800 -0.091 0.000 2.046 170 Q HA -0.217 4.123 4.340 -0.000 0.000 0.200 170 Q C 1.694 177.622 176.000 -0.119 0.000 0.975 170 Q CA 1.980 57.716 55.803 -0.112 0.000 0.836 170 Q CB -0.089 28.608 28.738 -0.067 0.000 0.896 170 Q HN 0.428 nan 8.270 nan 0.000 0.428 171 D N -0.227 120.124 120.400 -0.080 0.000 2.149 171 D HA -0.163 4.477 4.640 -0.000 0.000 0.198 171 D C 1.796 178.056 176.300 -0.066 0.000 0.990 171 D CA 1.267 55.233 54.000 -0.055 0.000 0.839 171 D CB -0.178 40.598 40.800 -0.041 0.000 0.948 171 D HN 0.392 nan 8.370 nan 0.000 0.460 172 I N 0.411 120.904 120.570 -0.128 0.000 2.394 172 I HA -0.197 3.973 4.170 -0.000 0.000 0.251 172 I C 2.365 178.269 176.117 -0.356 0.000 1.136 172 I CA 0.899 62.100 61.300 -0.164 0.000 1.425 172 I CB -0.078 37.835 38.000 -0.145 0.000 1.079 172 I HN -0.081 nan 8.210 nan 0.000 0.425 173 K N 0.655 120.756 120.400 -0.498 0.000 2.031 173 K HA -0.147 4.173 4.320 -0.000 0.000 0.205 173 K C 1.713 178.134 176.600 -0.298 0.000 1.049 173 K CA 1.375 57.282 56.287 -0.634 0.000 0.939 173 K CB -0.022 32.157 32.500 -0.537 0.000 0.717 173 K HN 0.160 nan 8.250 nan 0.000 0.438 174 D N 0.295 120.595 120.400 -0.167 0.000 2.123 174 D HA -0.193 4.446 4.640 -0.000 0.000 0.196 174 D C 1.557 177.829 176.300 -0.047 0.000 0.992 174 D CA 1.031 54.980 54.000 -0.086 0.000 0.833 174 D CB -0.202 40.574 40.800 -0.041 0.000 0.954 174 D HN 0.107 nan 8.370 nan 0.000 0.455 175 F N 1.168 121.036 119.950 -0.136 0.000 2.186 175 F HA -0.020 4.507 4.527 -0.000 0.000 0.299 175 F C 2.171 177.909 175.800 -0.102 0.000 1.090 175 F CA 1.134 59.072 58.000 -0.102 0.000 1.307 175 F CB -0.107 38.843 39.000 -0.084 0.000 1.019 175 F HN -0.070 nan 8.300 nan 0.000 0.489 176 A N -0.257 122.547 122.820 -0.027 0.000 1.972 176 A HA -0.165 4.155 4.320 -0.000 0.000 0.219 176 A C 1.962 179.559 177.584 0.022 0.000 1.169 176 A CA 1.879 53.963 52.037 0.078 0.000 0.635 176 A CB -0.808 18.293 19.000 0.168 0.000 0.810 176 A HN 0.392 nan 8.150 nan 0.000 0.446 177 D N -0.085 120.261 120.400 -0.089 0.000 2.097 177 D HA -0.098 4.542 4.640 -0.000 0.000 0.197 177 D C 1.947 178.169 176.300 -0.131 0.000 0.984 177 D CA 1.274 55.222 54.000 -0.086 0.000 0.826 177 D CB -0.231 40.510 40.800 -0.098 0.000 0.973 177 D HN 0.463 nan 8.370 nan 0.000 0.460 178 K N 0.233 120.496 120.400 -0.228 0.000 2.026 178 K HA -0.063 4.257 4.320 -0.000 0.000 0.208 178 K C 2.082 178.482 176.600 -0.333 0.000 1.048 178 K CA 0.777 56.896 56.287 -0.279 0.000 0.929 178 K CB 0.023 32.313 32.500 -0.350 0.000 0.713 178 K HN 0.002 nan 8.250 nan 0.000 0.439 179 V N -0.103 119.510 119.914 -0.500 0.000 2.992 179 V HA -0.089 4.031 4.120 -0.000 0.000 0.250 179 V C 0.460 176.330 176.094 -0.373 0.000 1.090 179 V CA 0.665 62.635 62.300 -0.551 0.000 1.101 179 V CB -0.160 31.132 31.823 -0.885 0.000 0.743 179 V HN 0.204 nan 8.190 nan 0.000 0.468 180 Y N 1.959 122.182 120.300 -0.129 0.000 2.724 180 Y HA 0.399 4.949 4.550 -0.000 0.000 0.332 180 Y C 0.778 176.659 175.900 -0.031 0.000 1.276 180 Y CA -0.436 57.636 58.100 -0.047 0.000 1.597 180 Y CB 0.142 38.587 38.460 -0.024 0.000 1.584 180 Y HN 0.231 nan 8.280 nan 0.000 0.478 181 T N -3.093 111.517 114.554 0.094 0.000 2.906 181 T HA 0.324 4.674 4.350 -0.000 0.000 0.295 181 T C 0.769 175.507 174.700 0.063 0.000 1.075 181 T CA -1.201 60.934 62.100 0.058 0.000 1.005 181 T CB 2.019 70.883 68.868 -0.005 0.000 1.136 181 T HN 0.264 nan 8.240 nan 0.000 0.498 182 K N 0.092 120.524 120.400 0.054 0.000 2.147 182 K HA -0.071 4.249 4.320 -0.000 0.000 0.205 182 K C 1.581 178.206 176.600 0.040 0.000 1.049 182 K CA 1.115 57.433 56.287 0.052 0.000 0.936 182 K CB 0.033 32.556 32.500 0.038 0.000 0.722 182 K HN 0.552 nan 8.250 nan 0.000 0.446 183 E N 0.426 120.636 120.200 0.016 0.000 2.435 183 E HA -0.050 4.300 4.350 -0.000 0.000 0.195 183 E C 0.916 177.512 176.600 -0.007 0.000 1.029 183 E CA 0.483 56.881 56.400 -0.003 0.000 0.865 183 E CB 0.054 29.736 29.700 -0.030 0.000 0.833 183 E HN 0.141 nan 8.360 nan 0.000 0.510 184 N N 0.264 118.969 118.700 0.009 0.000 2.214 184 N HA 0.090 4.830 4.740 -0.000 0.000 0.214 184 N C -0.550 175.048 175.510 0.147 0.000 1.132 184 N CA -0.007 53.053 53.050 0.017 0.000 0.856 184 N CB 0.375 38.820 38.487 -0.069 0.000 1.020 184 N HN 0.028 nan 8.380 nan 0.000 0.509 185 L N -2.305 119.011 121.223 0.154 0.000 2.415 185 L HA 0.755 5.095 4.340 -0.000 0.000 0.256 185 L C -1.114 175.864 176.870 0.179 0.000 1.010 185 L CA -0.859 54.095 54.840 0.190 0.000 0.826 185 L CB 2.008 44.169 42.059 0.170 0.000 1.405 185 L HN -0.250 nan 8.230 nan 0.000 0.410 186 E N 0.797 121.109 120.200 0.186 0.000 2.265 186 E HA 0.568 4.918 4.350 -0.000 0.000 0.262 186 E C -1.218 175.460 176.600 0.129 0.000 0.889 186 E CA -0.718 55.774 56.400 0.153 0.000 0.789 186 E CB 2.378 32.181 29.700 0.171 0.000 1.221 186 E HN 0.528 nan 8.360 nan 0.000 0.414 187 V N 2.187 122.170 119.914 0.114 0.000 2.715 187 V HA 0.355 4.475 4.120 -0.000 0.000 0.299 187 V C 0.130 176.281 176.094 0.096 0.000 1.054 187 V CA 0.089 62.455 62.300 0.111 0.000 1.077 187 V CB 1.409 33.297 31.823 0.109 0.000 0.972 187 V HN 0.647 nan 8.190 nan 0.000 0.484 188 S N 2.999 118.755 115.700 0.094 0.000 2.614 188 S HA 0.567 5.036 4.470 -0.000 0.000 0.259 188 S C -0.354 174.290 174.600 0.074 0.000 1.118 188 S CA -0.104 58.140 58.200 0.072 0.000 1.065 188 S CB 0.627 63.856 63.200 0.048 0.000 1.121 188 S HN 1.174 nan 8.310 nan 0.000 0.458 189 G N 2.753 111.598 108.800 0.075 0.000 2.370 189 G HA2 0.545 4.505 3.960 -0.000 0.000 0.317 189 G HA3 0.545 4.505 3.960 -0.000 0.000 0.317 189 G C -0.811 174.107 174.900 0.029 0.000 1.162 189 G CA -0.440 44.704 45.100 0.075 0.000 0.922 189 G HN 0.560 nan 8.290 nan 0.000 0.454 190 E N 1.899 122.093 120.200 -0.010 0.000 2.259 190 E HA 0.239 4.589 4.350 -0.000 0.000 0.281 190 E C 0.854 177.409 176.600 -0.074 0.000 1.027 190 E CA -0.220 56.156 56.400 -0.041 0.000 0.838 190 E CB 0.379 30.043 29.700 -0.059 0.000 1.066 190 E HN 0.547 nan 8.360 nan 0.000 0.401 191 N N 2.376 121.043 118.700 -0.056 0.000 2.783 191 N HA -0.141 4.599 4.740 -0.000 0.000 0.247 191 N C -1.550 173.938 175.510 -0.036 0.000 1.089 191 N CA 0.665 53.677 53.050 -0.064 0.000 0.690 191 N CB -0.611 37.806 38.487 -0.117 0.000 0.991 191 N HN 0.168 nan 8.380 nan 0.000 0.552 192 V N 0.764 120.683 119.914 0.009 0.000 2.789 192 V HA 0.402 4.522 4.120 -0.000 0.000 0.311 192 V C 0.635 176.764 176.094 0.059 0.000 1.073 192 V CA -1.015 61.321 62.300 0.060 0.000 0.921 192 V CB 2.153 34.038 31.823 0.103 0.000 1.009 192 V HN 0.091 nan 8.190 nan 0.000 0.426 193 V N 0.983 120.941 119.914 0.074 0.000 2.421 193 V HA 0.201 4.321 4.120 -0.000 0.000 0.271 193 V C 1.283 177.411 176.094 0.057 0.000 1.031 193 V CA 0.228 62.562 62.300 0.057 0.000 1.032 193 V CB 0.042 31.898 31.823 0.056 0.000 1.009 193 V HN 1.049 nan 8.190 nan 0.000 0.477 194 E N 4.176 124.399 120.200 0.040 0.000 2.160 194 E HA -0.218 4.132 4.350 -0.000 0.000 0.195 194 E C 2.088 178.698 176.600 0.018 0.000 0.991 194 E CA 1.666 58.087 56.400 0.036 0.000 0.810 194 E CB -0.002 29.713 29.700 0.026 0.000 0.742 194 E HN 0.972 nan 8.360 nan 0.000 0.466 195 A N 1.249 124.069 122.820 0.001 0.000 1.845 195 A HA -0.229 4.091 4.320 -0.000 0.000 0.215 195 A C 1.932 179.469 177.584 -0.079 0.000 1.195 195 A CA 1.900 53.918 52.037 -0.032 0.000 0.616 195 A CB -0.568 18.413 19.000 -0.032 0.000 0.832 195 A HN 0.272 nan 8.150 nan 0.000 0.443 196 D N -0.628 119.726 120.400 -0.076 0.000 2.178 196 D HA -0.092 4.548 4.640 -0.000 0.000 0.202 196 D C 1.880 178.113 176.300 -0.112 0.000 0.974 196 D CA 1.157 55.035 54.000 -0.202 0.000 0.841 196 D CB -0.243 40.538 40.800 -0.031 0.000 0.953 196 D HN 0.321 nan 8.370 nan 0.000 0.478 197 L N 1.599 122.874 121.223 0.086 0.000 1.994 197 L HA -0.133 4.207 4.340 -0.000 0.000 0.208 197 L C 2.061 178.998 176.870 0.112 0.000 1.071 197 L CA 1.836 56.783 54.840 0.178 0.000 0.745 197 L CB -0.444 41.706 42.059 0.152 0.000 0.892 197 L HN -0.210 nan 8.230 nan 0.000 0.431 198 K N -0.842 119.584 120.400 0.043 0.000 2.103 198 K HA -0.226 4.094 4.320 -0.000 0.000 0.207 198 K C 2.342 178.936 176.600 -0.011 0.000 1.048 198 K CA 1.639 57.940 56.287 0.023 0.000 0.930 198 K CB -0.239 32.265 32.500 0.006 0.000 0.716 198 K HN 0.292 nan 8.250 nan 0.000 0.444 199 R N 0.017 120.457 120.500 -0.100 0.000 2.096 199 R HA -0.131 4.209 4.340 -0.000 0.000 0.235 199 R C 1.847 178.057 176.300 -0.149 0.000 1.127 199 R CA 1.522 57.504 56.100 -0.196 0.000 0.968 199 R CB -0.167 29.903 30.300 -0.383 0.000 0.861 199 R HN 0.201 nan 8.270 nan 0.000 0.440 200 F N -0.429 119.537 119.950 0.026 0.000 2.335 200 F HA -0.059 4.468 4.527 -0.000 0.000 0.296 200 F C 2.250 178.059 175.800 0.014 0.000 1.091 200 F CA 0.084 58.097 58.000 0.022 0.000 1.399 200 F CB 0.238 39.259 39.000 0.035 0.000 1.067 200 F HN -0.159 nan 8.300 nan 0.000 0.520 201 V N -0.177 119.854 119.914 0.195 0.000 2.307 201 V HA -0.280 3.840 4.120 -0.000 0.000 0.245 201 V C 1.778 177.915 176.094 0.070 0.000 1.045 201 V CA 1.910 64.280 62.300 0.117 0.000 1.024 201 V CB -0.440 31.442 31.823 0.098 0.000 0.651 201 V HN 0.309 nan 8.190 nan 0.000 0.449 202 D N -0.201 120.230 120.400 0.052 0.000 2.219 202 D HA -0.117 4.523 4.640 -0.000 0.000 0.205 202 D C 1.398 177.711 176.300 0.022 0.000 0.970 202 D CA 0.723 54.738 54.000 0.024 0.000 0.851 202 D CB 0.159 40.964 40.800 0.009 0.000 0.943 202 D HN 0.525 nan 8.370 nan 0.000 0.488 203 E N 1.265 121.495 120.200 0.049 0.000 2.206 203 E HA 0.194 4.544 4.350 -0.000 0.000 0.244 203 E C -0.620 176.018 176.600 0.063 0.000 1.055 203 E CA -0.283 56.151 56.400 0.056 0.000 0.970 203 E CB 0.140 29.892 29.700 0.086 0.000 1.256 203 E HN 0.091 nan 8.360 nan 0.000 0.456 204 S N 1.551 117.256 115.700 0.009 0.000 2.806 204 S HA 0.146 4.616 4.470 -0.000 0.000 0.294 204 S C -0.001 174.545 174.600 -0.090 0.000 1.239 204 S CA -0.689 57.495 58.200 -0.026 0.000 1.052 204 S CB 0.151 63.350 63.200 -0.002 0.000 1.332 204 S HN 0.201 nan 8.310 nan 0.000 0.516 205 L N 1.259 122.404 121.223 -0.131 0.000 2.567 205 L HA 0.393 4.733 4.340 -0.000 0.000 0.225 205 L C 1.983 178.744 176.870 -0.183 0.000 1.119 205 L CA 0.298 54.983 54.840 -0.258 0.000 0.871 205 L CB -0.393 41.469 42.059 -0.329 0.000 1.036 205 L HN 0.573 nan 8.230 nan 0.000 0.459 206 L N -0.112 121.069 121.223 -0.072 0.000 2.017 206 L HA -0.167 4.173 4.340 -0.000 0.000 0.208 206 L C 2.510 179.373 176.870 -0.013 0.000 1.073 206 L CA 2.256 57.089 54.840 -0.011 0.000 0.745 206 L CB -1.062 41.011 42.059 0.024 0.000 0.894 206 L HN 0.505 nan 8.230 nan 0.000 0.432 207 S N -2.581 113.102 115.700 -0.027 0.000 2.555 207 S HA -0.059 4.411 4.470 -0.000 0.000 0.230 207 S C 1.293 175.867 174.600 -0.044 0.000 0.978 207 S CA 0.822 59.009 58.200 -0.021 0.000 0.934 207 S CB -0.453 62.738 63.200 -0.016 0.000 0.766 207 S HN 0.432 nan 8.310 nan 0.000 0.533 208 T N 1.770 116.264 114.554 -0.100 0.000 3.176 208 T HA 0.417 4.766 4.350 -0.000 0.000 0.263 208 T C 0.160 174.813 174.700 -0.079 0.000 1.021 208 T CA -0.340 61.677 62.100 -0.137 0.000 0.905 208 T CB -0.175 68.526 68.868 -0.278 0.000 1.057 208 T HN 0.277 nan 8.240 nan 0.000 0.558 209 L N 3.172 124.403 121.223 0.013 0.000 2.371 209 L HA 0.347 4.687 4.340 -0.000 0.000 0.272 209 L C -1.829 175.099 176.870 0.097 0.000 1.124 209 L CA -2.333 52.591 54.840 0.141 0.000 0.816 209 L CB 0.275 42.416 42.059 0.137 0.000 1.129 209 L HN -0.056 nan 8.230 nan 0.000 0.448 210 P HA -0.005 nan 4.420 nan 0.000 0.265 210 P C -1.037 176.286 177.300 0.038 0.000 1.187 210 P CA -0.161 62.973 63.100 0.055 0.000 0.766 210 P CB 0.660 32.386 31.700 0.043 0.000 0.820 211 A N 3.133 125.963 122.820 0.017 0.000 2.644 211 A HA 0.562 4.882 4.320 -0.000 0.000 0.343 211 A C 1.073 178.648 177.584 -0.015 0.000 1.324 211 A CA -0.183 51.858 52.037 0.005 0.000 0.846 211 A CB 0.106 19.110 19.000 0.007 0.000 1.128 211 A HN 0.563 nan 8.150 nan 0.000 0.484 212 G N 1.369 110.152 108.800 -0.030 0.000 2.830 212 G HA2 0.299 4.259 3.960 -0.000 0.000 0.172 212 G HA3 0.299 4.259 3.960 -0.000 0.000 0.172 212 G C 0.344 175.208 174.900 -0.059 0.000 1.782 212 G CA 0.410 45.481 45.100 -0.048 0.000 0.900 212 G HN 0.587 nan 8.290 nan 0.000 0.389 213 K N -1.384 118.964 120.400 -0.086 0.000 2.395 213 K HA 0.589 4.909 4.320 -0.000 0.000 0.245 213 K C -0.840 175.672 176.600 -0.146 0.000 1.017 213 K CA -0.532 55.694 56.287 -0.101 0.000 0.852 213 K CB 2.174 34.615 32.500 -0.098 0.000 1.311 213 K HN 0.387 nan 8.250 nan 0.000 0.452 214 S N 0.669 116.270 115.700 -0.164 0.000 2.509 214 S HA 0.395 4.865 4.470 -0.000 0.000 0.297 214 S C -0.381 174.049 174.600 -0.283 0.000 1.118 214 S CA -0.748 57.304 58.200 -0.247 0.000 1.074 214 S CB 0.475 63.533 63.200 -0.237 0.000 1.038 214 S HN 0.592 nan 8.310 nan 0.000 0.498 215 L N 5.111 126.075 121.223 -0.432 0.000 3.073 215 L HA 0.423 4.763 4.340 -0.000 0.000 0.242 215 L C -0.747 175.954 176.870 -0.282 0.000 1.317 215 L CA -0.253 54.362 54.840 -0.375 0.000 1.081 215 L CB 0.443 42.217 42.059 -0.475 0.000 1.456 215 L HN 0.560 nan 8.230 nan 0.000 0.525 216 V N -0.023 119.728 119.914 -0.271 0.000 2.096 216 V HA 0.076 4.196 4.120 -0.000 0.000 0.259 216 V C 0.953 177.002 176.094 -0.076 0.000 1.420 216 V CA -0.009 62.195 62.300 -0.161 0.000 1.336 216 V CB 0.271 31.922 31.823 -0.288 0.000 1.394 216 V HN 0.408 nan 8.190 nan 0.000 0.494 217 S N 2.406 118.089 115.700 -0.028 0.000 2.533 217 S HA 0.103 4.573 4.470 -0.000 0.000 0.282 217 S C 1.335 175.924 174.600 -0.018 0.000 1.304 217 S CA -0.239 57.946 58.200 -0.026 0.000 1.063 217 S CB 0.711 63.901 63.200 -0.016 0.000 0.881 217 S HN 0.813 nan 8.310 nan 0.000 0.493 218 K N 3.681 124.070 120.400 -0.018 0.000 2.155 218 K HA -0.014 4.306 4.320 -0.000 0.000 0.203 218 K C 0.665 177.261 176.600 -0.008 0.000 1.052 218 K CA 0.830 57.114 56.287 -0.005 0.000 0.948 218 K CB -0.284 32.214 32.500 -0.004 0.000 0.728 218 K HN 0.689 nan 8.250 nan 0.000 0.448 219 S N 1.421 117.109 115.700 -0.021 0.000 2.546 219 S HA 0.001 4.471 4.470 -0.000 0.000 0.290 219 S C -0.439 174.129 174.600 -0.054 0.000 1.290 219 S CA -0.592 57.587 58.200 -0.034 0.000 1.069 219 S CB 0.618 63.794 63.200 -0.041 0.000 0.846 219 S HN 0.247 nan 8.310 nan 0.000 0.495 220 E N 3.474 123.638 120.200 -0.061 0.000 2.465 220 E HA 0.150 4.500 4.350 -0.000 0.000 0.260 220 E C -2.123 174.344 176.600 -0.222 0.000 0.980 220 E CA -1.011 55.328 56.400 -0.100 0.000 0.927 220 E CB -0.069 29.585 29.700 -0.076 0.000 0.934 220 E HN 0.518 nan 8.360 nan 0.000 0.459 221 P HA -0.010 nan 4.420 nan 0.000 0.267 221 P C -0.858 176.085 177.300 -0.595 0.000 1.205 221 P CA 0.029 62.946 63.100 -0.305 0.000 0.765 221 P CB 0.488 32.035 31.700 -0.256 0.000 0.828 222 K N 3.739 123.936 120.400 -0.338 0.000 2.315 222 K HA 0.206 4.526 4.320 -0.000 0.000 0.291 222 K C -0.551 175.950 176.600 -0.164 0.000 1.074 222 K CA -0.266 55.791 56.287 -0.383 0.000 0.936 222 K CB -0.292 32.087 32.500 -0.203 0.000 1.049 222 K HN 0.341 nan 8.250 nan 0.000 0.471 223 F N 2.617 122.611 119.950 0.073 0.000 2.450 223 F HA 0.504 5.031 4.527 -0.000 0.000 0.332 223 F C -0.452 175.324 175.800 -0.041 0.000 1.093 223 F CA -1.704 56.381 58.000 0.140 0.000 1.003 223 F CB 0.289 39.343 39.000 0.089 0.000 1.151 223 F HN 0.091 nan 8.300 nan 0.000 0.474 224 F N 2.757 122.824 119.950 0.195 0.000 2.415 224 F HA 0.608 5.135 4.527 -0.000 0.000 0.348 224 F C -0.047 175.781 175.800 0.047 0.000 1.119 224 F CA -1.016 57.046 58.000 0.104 0.000 1.069 224 F CB 1.151 40.188 39.000 0.062 0.000 1.124 224 F HN 0.322 nan 8.300 nan 0.000 0.472 225 L N 1.592 122.911 121.223 0.160 0.000 2.387 225 L HA 0.651 4.991 4.340 -0.000 0.000 0.266 225 L C 0.993 177.885 176.870 0.038 0.000 1.059 225 L CA -0.825 54.050 54.840 0.058 0.000 0.801 225 L CB 1.308 43.369 42.059 0.004 0.000 1.223 225 L HN 0.863 nan 8.230 nan 0.000 0.456 226 G N 0.648 109.431 108.800 -0.029 0.000 2.246 226 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.273 226 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.273 226 G C -0.101 174.810 174.900 0.018 0.000 1.055 226 G CA -0.278 44.788 45.100 -0.057 0.000 0.851 226 G HN 0.507 nan 8.290 nan 0.000 0.500 227 E N 0.308 120.542 120.200 0.057 0.000 2.191 227 E HA 0.566 4.916 4.350 -0.000 0.000 0.274 227 E C 0.364 177.033 176.600 0.116 0.000 0.948 227 E CA -0.342 56.104 56.400 0.076 0.000 0.802 227 E CB 1.682 31.419 29.700 0.061 0.000 1.137 227 E HN 0.815 nan 8.360 nan 0.000 0.397 228 E N 1.732 122.003 120.200 0.119 0.000 2.331 228 E HA 0.539 4.889 4.350 -0.000 0.000 0.275 228 E C -1.005 175.644 176.600 0.082 0.000 0.895 228 E CA -0.945 55.549 56.400 0.156 0.000 0.753 228 E CB 1.799 31.673 29.700 0.291 0.000 1.216 228 E HN 0.114 nan 8.360 nan 0.000 0.434 229 N N 1.378 120.088 118.700 0.017 0.000 2.242 229 N HA 0.436 5.176 4.740 -0.000 0.000 0.292 229 N C -1.643 173.826 175.510 -0.069 0.000 1.125 229 N CA -0.760 52.283 53.050 -0.011 0.000 0.783 229 N CB 2.016 40.494 38.487 -0.016 0.000 1.558 229 N HN 0.545 nan 8.380 nan 0.000 0.472 230 R N 1.325 121.799 120.500 -0.044 0.000 2.451 230 R HA 0.530 4.870 4.340 -0.000 0.000 0.307 230 R C -1.029 175.250 176.300 -0.035 0.000 0.965 230 R CA -0.817 55.239 56.100 -0.072 0.000 0.865 230 R CB 1.612 31.866 30.300 -0.078 0.000 1.174 230 R HN 0.145 nan 8.270 nan 0.000 0.455 231 V N 3.871 123.761 119.914 -0.040 0.000 2.384 231 V HA 0.385 4.505 4.120 -0.000 0.000 0.287 231 V C 0.351 176.468 176.094 0.038 0.000 1.020 231 V CA -1.081 61.220 62.300 0.002 0.000 0.850 231 V CB 1.466 33.288 31.823 -0.002 0.000 0.987 231 V HN 0.679 nan 8.190 nan 0.000 0.436 232 R N 3.896 124.433 120.500 0.062 0.000 2.491 232 R HA 0.562 4.902 4.340 -0.000 0.000 0.283 232 R C -0.994 175.411 176.300 0.175 0.000 1.072 232 R CA -0.093 56.060 56.100 0.087 0.000 1.048 232 R CB 0.573 30.905 30.300 0.053 0.000 0.983 232 R HN 0.608 nan 8.270 nan 0.000 0.450 233 F N 2.520 122.455 119.950 -0.026 0.000 2.604 233 F HA 0.368 4.895 4.527 -0.000 0.000 0.316 233 F C -1.036 174.748 175.800 -0.027 0.000 1.136 233 F CA -0.977 57.005 58.000 -0.031 0.000 0.989 233 F CB 1.330 40.306 39.000 -0.040 0.000 1.258 233 F HN 0.359 nan 8.300 nan 0.000 0.451 234 I N 6.741 126.969 120.570 -0.570 0.000 2.322 234 I HA 0.623 4.793 4.170 -0.000 0.000 0.292 234 I C 0.590 176.373 176.117 -0.556 0.000 1.060 234 I CA 0.504 61.548 61.300 -0.426 0.000 1.309 234 I CB 0.062 37.859 38.000 -0.338 0.000 1.415 234 I HN 0.849 nan 8.210 nan 0.000 0.492 235 G N 5.131 113.856 108.800 -0.125 0.000 2.347 235 G HA2 -0.061 3.899 3.960 -0.000 0.000 0.224 235 G HA3 -0.061 3.899 3.960 -0.000 0.000 0.224 235 G C -1.475 173.533 174.900 0.180 0.000 1.318 235 G CA -0.806 44.330 45.100 0.060 0.000 1.016 235 G HN 0.377 nan 8.290 nan 0.000 0.469 236 D N 0.808 121.341 120.400 0.220 0.000 2.372 236 D HA 0.557 5.197 4.640 -0.000 0.000 0.243 236 D C 0.329 176.698 176.300 0.114 0.000 1.121 236 D CA 0.470 54.543 54.000 0.121 0.000 0.898 236 D CB 1.387 42.224 40.800 0.062 0.000 1.202 236 D HN 0.322 nan 8.370 nan 0.000 0.428 237 S N 0.243 115.979 115.700 0.060 0.000 2.554 237 S HA 0.526 4.996 4.470 -0.000 0.000 0.278 237 S C -0.616 173.979 174.600 -0.009 0.000 1.242 237 S CA -0.703 57.516 58.200 0.031 0.000 1.051 237 S CB 1.386 64.607 63.200 0.035 0.000 0.986 237 S HN 0.260 nan 8.310 nan 0.000 0.502 238 V N 2.660 122.549 119.914 -0.042 0.000 2.668 238 V HA 0.807 4.927 4.120 -0.000 0.000 0.304 238 V C -0.909 175.158 176.094 -0.045 0.000 1.071 238 V CA -0.550 61.727 62.300 -0.038 0.000 0.894 238 V CB 1.424 33.200 31.823 -0.077 0.000 1.008 238 V HN 0.979 nan 8.190 nan 0.000 0.425 239 A N 5.579 128.397 122.820 -0.004 0.000 2.318 239 A HA 1.013 5.332 4.320 -0.000 0.000 0.324 239 A C -0.093 177.487 177.584 -0.006 0.000 1.170 239 A CA 0.020 52.037 52.037 -0.034 0.000 0.810 239 A CB 1.487 20.554 19.000 0.112 0.000 1.198 239 A HN 2.081 nan 8.150 nan 0.000 0.484 240 A N 2.421 125.174 122.820 -0.110 0.000 2.414 240 A HA 0.755 5.075 4.320 -0.000 0.000 0.306 240 A C -0.383 177.126 177.584 -0.124 0.000 1.054 240 A CA -0.517 51.453 52.037 -0.112 0.000 0.724 240 A CB 0.784 19.770 19.000 -0.023 0.000 1.267 240 A HN 1.568 nan 8.150 nan 0.000 0.418 241 I N -0.473 119.988 120.570 -0.182 0.000 2.562 241 I HA 0.932 5.102 4.170 -0.000 0.000 0.301 241 I C 0.080 176.089 176.117 -0.181 0.000 1.003 241 I CA -0.863 60.349 61.300 -0.146 0.000 1.127 241 I CB 2.406 40.181 38.000 -0.375 0.000 1.304 241 I HN 0.648 nan 8.210 nan 0.000 0.446 242 G N 6.511 115.279 108.800 -0.054 0.000 2.707 242 G HA2 0.684 4.644 3.960 -0.000 0.000 0.299 242 G HA3 0.684 4.644 3.960 -0.000 0.000 0.299 242 G C -1.128 173.772 174.900 -0.001 0.000 1.442 242 G CA -0.625 44.419 45.100 -0.094 0.000 1.009 242 G HN 0.639 nan 8.290 nan 0.000 0.515 243 I N 2.880 123.467 120.570 0.027 0.000 2.382 243 I HA 0.283 4.453 4.170 -0.000 0.000 0.286 243 I C -2.346 173.614 176.117 -0.261 0.000 1.002 243 I CA -2.420 58.860 61.300 -0.034 0.000 1.135 243 I CB 2.725 40.782 38.000 0.095 0.000 1.288 243 I HN 0.171 nan 8.210 nan 0.000 0.448 244 P HA -0.022 nan 4.420 nan 0.000 0.262 244 P C -0.424 176.518 177.300 -0.596 0.000 1.182 244 P CA 0.057 62.714 63.100 -0.738 0.000 0.761 244 P CB 0.477 31.208 31.700 -1.615 0.000 0.795 245 V N 1.394 121.081 119.914 -0.379 0.000 3.019 245 V HA 0.536 4.656 4.120 -0.000 0.000 0.317 245 V C -0.034 176.078 176.094 0.030 0.000 1.094 245 V CA -0.947 61.193 62.300 -0.267 0.000 1.000 245 V CB 2.062 33.680 31.823 -0.342 0.000 1.060 245 V HN 0.310 nan 8.190 nan 0.000 0.443 246 N N 0.952 119.704 118.700 0.088 0.000 2.445 246 N HA 0.278 5.018 4.740 -0.000 0.000 0.264 246 N C 0.547 176.142 175.510 0.142 0.000 1.227 246 N CA -0.439 52.707 53.050 0.159 0.000 0.963 246 N CB 1.444 40.014 38.487 0.139 0.000 1.188 246 N HN 0.666 nan 8.380 nan 0.000 0.491 247 K N 0.605 121.089 120.400 0.140 0.000 2.209 247 K HA -0.080 4.240 4.320 -0.000 0.000 0.204 247 K C 1.275 177.934 176.600 0.099 0.000 1.048 247 K CA 1.175 57.533 56.287 0.119 0.000 0.940 247 K CB 0.128 32.690 32.500 0.102 0.000 0.729 247 K HN 0.516 nan 8.250 nan 0.000 0.451 248 A N -0.507 122.368 122.820 0.092 0.000 2.127 248 A HA 0.080 4.399 4.320 -0.000 0.000 0.204 248 A C 1.555 179.182 177.584 0.072 0.000 1.243 248 A CA 0.077 52.160 52.037 0.076 0.000 0.887 248 A CB 0.408 19.448 19.000 0.066 0.000 0.933 248 A HN 0.101 nan 8.150 nan 0.000 0.479 249 S N 0.477 116.232 115.700 0.092 0.000 2.685 249 S HA 0.185 4.655 4.470 -0.000 0.000 0.240 249 S C 1.360 176.052 174.600 0.154 0.000 0.967 249 S CA 0.276 58.541 58.200 0.108 0.000 1.009 249 S CB -0.868 62.418 63.200 0.143 0.000 0.776 249 S HN 0.575 nan 8.310 nan 0.000 0.467 250 L N -1.491 119.793 121.223 0.103 0.000 2.416 250 L HA 0.544 4.883 4.340 -0.000 0.000 0.216 250 L C 2.007 178.903 176.870 0.042 0.000 1.098 250 L CA 0.801 55.701 54.840 0.100 0.000 0.840 250 L CB -0.643 41.463 42.059 0.078 0.000 0.981 250 L HN 0.255 nan 8.230 nan 0.000 0.462 251 A N 1.004 123.796 122.820 -0.047 0.000 2.167 251 A HA -0.091 4.229 4.320 -0.000 0.000 0.214 251 A C 2.254 179.511 177.584 -0.546 0.000 1.151 251 A CA 1.008 52.885 52.037 -0.266 0.000 0.735 251 A CB -0.375 18.504 19.000 -0.202 0.000 0.802 251 A HN 0.775 nan 8.150 nan 0.000 0.467 252 Q N -2.145 117.467 119.800 -0.312 0.000 2.163 252 Q HA -0.065 4.275 4.340 -0.000 0.000 0.198 252 Q C 1.579 177.335 176.000 -0.407 0.000 0.954 252 Q CA 1.258 56.838 55.803 -0.371 0.000 0.851 252 Q CB -0.647 27.919 28.738 -0.287 0.000 0.928 252 Q HN 0.568 nan 8.270 nan 0.000 0.459 253 Y N 1.357 121.443 120.300 -0.357 0.000 2.333 253 Y HA -0.113 4.437 4.550 -0.000 0.000 0.290 253 Y C 2.419 178.194 175.900 -0.209 0.000 1.144 253 Y CA 1.235 59.087 58.100 -0.414 0.000 1.228 253 Y CB 0.211 38.497 38.460 -0.291 0.000 0.985 253 Y HN 0.214 nan 8.280 nan 0.000 0.542 254 E N 0.034 120.229 120.200 -0.009 0.000 2.072 254 E HA -0.163 4.187 4.350 -0.000 0.000 0.191 254 E C 2.462 179.088 176.600 0.043 0.000 0.985 254 E CA 1.447 57.877 56.400 0.050 0.000 0.801 254 E CB -0.342 29.397 29.700 0.066 0.000 0.750 254 E HN 0.419 nan 8.360 nan 0.000 0.452 255 V N 0.001 119.851 119.914 -0.108 0.000 2.548 255 V HA -0.155 3.965 4.120 -0.000 0.000 0.249 255 V C 2.388 178.493 176.094 0.019 0.000 1.055 255 V CA 1.406 63.700 62.300 -0.011 0.000 1.065 255 V CB -0.517 31.239 31.823 -0.111 0.000 0.681 255 V HN 0.174 nan 8.190 nan 0.000 0.462 256 L N 1.879 123.020 121.223 -0.136 0.000 2.012 256 L HA 0.048 4.388 4.340 -0.000 0.000 0.210 256 L C 2.663 179.612 176.870 0.132 0.000 1.073 256 L CA 2.720 57.469 54.840 -0.151 0.000 0.748 256 L CB -1.271 40.382 42.059 -0.676 0.000 0.891 256 L HN 0.340 nan 8.230 nan 0.000 0.431 257 A N -0.619 122.345 122.820 0.239 0.000 1.902 257 A HA -0.250 4.070 4.320 -0.000 0.000 0.217 257 A C 2.142 179.859 177.584 0.222 0.000 1.181 257 A CA 2.170 54.421 52.037 0.356 0.000 0.623 257 A CB -1.010 18.198 19.000 0.348 0.000 0.818 257 A HN 0.680 nan 8.150 nan 0.000 0.443 258 N N -2.455 116.371 118.700 0.209 0.000 2.457 258 N HA -0.050 4.690 4.740 -0.000 0.000 0.180 258 N C 1.476 177.184 175.510 0.330 0.000 1.050 258 N CA 0.868 54.056 53.050 0.229 0.000 0.906 258 N CB -0.168 38.425 38.487 0.176 0.000 0.968 258 N HN 0.647 nan 8.380 nan 0.000 0.445 259 Y N 1.166 121.556 120.300 0.150 0.000 2.184 259 Y HA 0.039 4.589 4.550 -0.000 0.000 0.290 259 Y C 1.559 177.514 175.900 0.091 0.000 1.129 259 Y CA 1.189 59.356 58.100 0.111 0.000 1.144 259 Y CB -0.242 38.248 38.460 0.049 0.000 0.995 259 Y HN -0.028 nan 8.280 nan 0.000 0.513 260 L N -0.422 120.810 121.223 0.016 0.000 2.275 260 L HA -0.096 4.244 4.340 -0.000 0.000 0.215 260 L C 0.777 177.620 176.870 -0.044 0.000 1.119 260 L CA 1.375 56.165 54.840 -0.084 0.000 0.790 260 L CB -0.553 41.557 42.059 0.086 0.000 0.919 260 L HN 0.163 nan 8.230 nan 0.000 0.443 261 T N 0.011 114.588 114.554 0.039 0.000 3.221 261 T HA 0.256 4.606 4.350 -0.000 0.000 0.246 261 T C 0.106 174.860 174.700 0.089 0.000 0.952 261 T CA -0.145 61.991 62.100 0.059 0.000 0.994 261 T CB -0.103 68.819 68.868 0.089 0.000 1.127 261 T HN 0.334 nan 8.240 nan 0.000 0.549 262 S N -0.456 115.246 115.700 0.003 0.000 2.625 262 S HA 0.729 5.199 4.470 -0.000 0.000 0.271 262 S C 0.869 175.392 174.600 -0.128 0.000 1.161 262 S CA -0.563 57.613 58.200 -0.040 0.000 0.820 262 S CB 1.277 64.440 63.200 -0.061 0.000 1.137 262 S HN 0.090 nan 8.310 nan 0.000 0.470 263 A N 0.179 122.910 122.820 -0.148 0.000 2.206 263 A HA 0.285 4.605 4.320 -0.000 0.000 0.211 263 A C 1.629 179.140 177.584 -0.122 0.000 1.158 263 A CA 0.406 52.371 52.037 -0.120 0.000 0.761 263 A CB -0.987 17.951 19.000 -0.102 0.000 0.801 263 A HN 0.746 nan 8.150 nan 0.000 0.473 264 L N -0.709 120.428 121.223 -0.143 0.000 2.044 264 L HA -0.033 4.307 4.340 -0.000 0.000 0.205 264 L C 1.673 178.477 176.870 -0.111 0.000 1.075 264 L CA 0.792 55.592 54.840 -0.066 0.000 0.747 264 L CB -0.478 41.607 42.059 0.044 0.000 0.903 264 L HN 0.382 nan 8.230 nan 0.000 0.435 265 S N -0.164 115.309 115.700 -0.379 0.000 2.549 265 S HA 0.013 4.483 4.470 -0.000 0.000 0.279 265 S C 1.067 175.537 174.600 -0.217 0.000 1.321 265 S CA -0.422 57.471 58.200 -0.512 0.000 1.054 265 S CB 0.891 63.556 63.200 -0.890 0.000 0.899 265 S HN 0.209 nan 8.310 nan 0.000 0.497 266 E N 2.450 122.579 120.200 -0.119 0.000 2.208 266 E HA -0.092 4.258 4.350 -0.000 0.000 0.193 266 E C 0.845 177.408 176.600 -0.062 0.000 0.988 266 E CA 0.835 57.198 56.400 -0.062 0.000 0.828 266 E CB -0.150 29.538 29.700 -0.020 0.000 0.763 266 E HN 0.723 nan 8.360 nan 0.000 0.478 267 L N -0.817 120.358 121.223 -0.079 0.000 2.851 267 L HA 0.241 4.581 4.340 -0.000 0.000 0.237 267 L C 1.544 178.374 176.870 -0.066 0.000 1.257 267 L CA -0.069 54.739 54.840 -0.053 0.000 1.061 267 L CB 0.160 42.205 42.059 -0.024 0.000 1.372 267 L HN -0.144 nan 8.230 nan 0.000 0.493 268 S N -0.840 114.806 115.700 -0.090 0.000 2.395 268 S HA 0.039 4.509 4.470 -0.000 0.000 0.225 268 S C 1.712 176.291 174.600 -0.035 0.000 1.027 268 S CA 0.577 58.733 58.200 -0.074 0.000 0.965 268 S CB -0.739 62.404 63.200 -0.094 0.000 0.812 268 S HN 0.472 nan 8.310 nan 0.000 0.482 269 G N 0.318 109.099 108.800 -0.031 0.000 3.210 269 G HA2 0.382 4.342 3.960 -0.000 0.000 0.220 269 G HA3 0.382 4.342 3.960 -0.000 0.000 0.220 269 G C 0.717 175.613 174.900 -0.007 0.000 1.200 269 G CA -0.058 45.033 45.100 -0.015 0.000 0.834 269 G HN 0.425 nan 8.290 nan 0.000 0.524 270 L N 0.233 121.452 121.223 -0.007 0.000 2.731 270 L HA 0.470 4.810 4.340 -0.000 0.000 0.240 270 L C 0.810 177.687 176.870 0.011 0.000 1.120 270 L CA 0.093 54.934 54.840 0.002 0.000 0.913 270 L CB 0.276 42.335 42.059 0.001 0.000 1.213 270 L HN 0.341 nan 8.230 nan 0.000 0.515 271 I N -6.194 114.383 120.570 0.012 0.000 2.846 271 I HA 0.484 4.654 4.170 -0.000 0.000 0.307 271 I C 0.710 176.847 176.117 0.034 0.000 1.053 271 I CA -0.475 60.840 61.300 0.026 0.000 1.050 271 I CB 1.859 39.873 38.000 0.023 0.000 1.239 271 I HN -0.292 nan 8.210 nan 0.000 0.439 272 S N 1.190 116.925 115.700 0.058 0.000 2.387 272 S HA 0.102 4.572 4.470 -0.000 0.000 0.221 272 S C 0.700 175.343 174.600 0.072 0.000 1.041 272 S CA 0.534 58.767 58.200 0.055 0.000 0.959 272 S CB 0.039 63.269 63.200 0.051 0.000 0.843 272 S HN 0.760 nan 8.310 nan 0.000 0.488 273 S N -0.795 114.983 115.700 0.130 0.000 2.547 273 S HA 0.709 5.179 4.470 -0.000 0.000 0.270 273 S C -2.055 172.602 174.600 0.095 0.000 1.150 273 S CA -0.318 57.968 58.200 0.143 0.000 0.850 273 S CB 1.672 64.996 63.200 0.205 0.000 1.118 273 S HN 0.448 nan 8.310 nan 0.000 0.461 274 A N 3.141 125.972 122.820 0.017 0.000 2.459 274 A HA 0.851 5.171 4.320 -0.000 0.000 0.296 274 A C -1.131 176.383 177.584 -0.116 0.000 1.039 274 A CA -0.805 51.145 52.037 -0.145 0.000 0.698 274 A CB 1.239 20.209 19.000 -0.048 0.000 1.261 274 A HN 0.961 nan 8.150 nan 0.000 0.405 275 K N 0.781 121.011 120.400 -0.283 0.000 2.555 275 K HA 0.791 5.111 4.320 -0.000 0.000 0.279 275 K C -1.834 174.657 176.600 -0.181 0.000 0.986 275 K CA -0.873 55.338 56.287 -0.127 0.000 0.880 275 K CB 1.710 34.193 32.500 -0.029 0.000 1.474 275 K HN 0.663 nan 8.250 nan 0.000 0.433 276 L N 1.450 122.672 121.223 -0.002 0.000 2.305 276 L HA 0.432 4.771 4.340 -0.000 0.000 0.284 276 L C -1.431 175.418 176.870 -0.035 0.000 1.013 276 L CA -0.114 54.744 54.840 0.030 0.000 0.819 276 L CB 1.460 43.600 42.059 0.134 0.000 1.227 276 L HN 0.598 nan 8.230 nan 0.000 0.417 277 D N 5.207 125.560 120.400 -0.080 0.000 2.380 277 D HA 0.201 4.840 4.640 -0.000 0.000 0.230 277 D C -0.453 175.546 176.300 -0.502 0.000 1.154 277 D CA -0.117 53.739 54.000 -0.240 0.000 0.859 277 D CB 0.922 41.649 40.800 -0.121 0.000 1.045 277 D HN 0.454 nan 8.370 nan 0.000 0.495 278 K N 2.242 122.394 120.400 -0.412 0.000 2.234 278 K HA 0.410 4.730 4.320 -0.000 0.000 0.282 278 K C -0.131 176.193 176.600 -0.460 0.000 1.039 278 K CA -0.228 55.878 56.287 -0.302 0.000 0.928 278 K CB 1.129 33.582 32.500 -0.080 0.000 1.039 278 K HN 0.221 nan 8.250 nan 0.000 0.470 279 F N -0.827 119.195 119.950 0.121 0.000 2.780 279 F HA 0.212 4.738 4.527 -0.000 0.000 0.394 279 F C 2.017 177.891 175.800 0.124 0.000 1.244 279 F CA -0.831 57.242 58.000 0.121 0.000 1.133 279 F CB 0.649 39.692 39.000 0.072 0.000 1.528 279 F HN 0.566 nan 8.300 nan 0.000 0.496 280 T N -3.287 111.485 114.554 0.363 0.000 3.067 280 T HA 0.022 4.372 4.350 -0.000 0.000 0.257 280 T C -0.015 174.787 174.700 0.170 0.000 1.105 280 T CA 0.782 63.021 62.100 0.232 0.000 1.104 280 T CB -0.345 68.644 68.868 0.202 0.000 0.925 280 T HN 0.588 nan 8.240 nan 0.000 0.498 281 D N -0.225 120.283 120.400 0.180 0.000 3.060 281 D HA 0.451 5.091 4.640 -0.000 0.000 0.326 281 D C 0.667 177.062 176.300 0.158 0.000 1.253 281 D CA -0.072 54.002 54.000 0.124 0.000 0.737 281 D CB 0.376 41.210 40.800 0.056 0.000 1.260 281 D HN 0.509 nan 8.370 nan 0.000 0.542 282 G N -0.708 108.219 108.800 0.213 0.000 2.295 282 G HA2 0.458 4.417 3.960 -0.000 0.000 0.195 282 G HA3 0.458 4.417 3.960 -0.000 0.000 0.195 282 G C -0.196 174.889 174.900 0.309 0.000 1.269 282 G CA 0.064 45.315 45.100 0.252 0.000 1.170 282 G HN 1.153 nan 8.290 nan 0.000 0.511 283 G N -1.797 107.221 108.800 0.363 0.000 2.342 283 G HA2 0.680 4.640 3.960 -0.000 0.000 0.297 283 G HA3 0.680 4.640 3.960 -0.000 0.000 0.297 283 G C -2.292 172.812 174.900 0.340 0.000 1.313 283 G CA 0.334 45.642 45.100 0.347 0.000 0.830 283 G HN 1.888 nan 8.290 nan 0.000 0.506 284 L N -0.102 121.255 121.223 0.223 0.000 2.470 284 L HA 0.809 5.149 4.340 -0.000 0.000 0.268 284 L C -1.518 175.339 176.870 -0.021 0.000 0.964 284 L CA -0.822 54.071 54.840 0.088 0.000 0.839 284 L CB 1.816 43.913 42.059 0.064 0.000 1.276 284 L HN 0.649 nan 8.230 nan 0.000 0.403 285 F N 3.994 123.810 119.950 -0.223 0.000 2.404 285 F HA 0.731 5.258 4.527 -0.000 0.000 0.345 285 F C 0.013 175.695 175.800 -0.197 0.000 1.110 285 F CA 0.019 57.904 58.000 -0.191 0.000 1.130 285 F CB 1.292 40.156 39.000 -0.226 0.000 1.129 285 F HN 0.636 nan 8.300 nan 0.000 0.500 286 T N 5.070 118.976 114.554 -1.081 0.000 2.876 286 T HA 0.684 5.034 4.350 -0.000 0.000 0.289 286 T C -1.415 172.533 174.700 -1.253 0.000 1.014 286 T CA -0.838 60.671 62.100 -0.986 0.000 0.986 286 T CB 1.820 70.256 68.868 -0.720 0.000 1.021 286 T HN 0.731 nan 8.240 nan 0.000 0.458 287 L N 2.296 122.903 121.223 -1.028 0.000 2.409 287 L HA 0.760 5.100 4.340 -0.000 0.000 0.272 287 L C -1.972 174.467 176.870 -0.717 0.000 0.980 287 L CA -0.830 53.597 54.840 -0.688 0.000 0.826 287 L CB 1.416 43.320 42.059 -0.258 0.000 1.268 287 L HN 0.809 nan 8.230 nan 0.000 0.407 288 F N 4.969 124.857 119.950 -0.103 0.000 2.460 288 F HA 0.571 5.098 4.527 -0.000 0.000 0.341 288 F C -0.320 175.447 175.800 -0.055 0.000 1.130 288 F CA -1.002 56.948 58.000 -0.084 0.000 0.962 288 F CB 1.949 40.895 39.000 -0.090 0.000 1.171 288 F HN 0.070 nan 8.300 nan 0.000 0.436 289 V N 4.742 124.729 119.914 0.123 0.000 2.347 289 V HA 0.530 4.650 4.120 -0.000 0.000 0.280 289 V C -0.227 175.903 176.094 0.061 0.000 1.021 289 V CA -0.672 61.672 62.300 0.073 0.000 0.847 289 V CB 1.395 33.249 31.823 0.051 0.000 0.990 289 V HN 0.730 nan 8.190 nan 0.000 0.444 290 R N 3.217 123.741 120.500 0.041 0.000 2.574 290 R HA 0.662 5.002 4.340 -0.000 0.000 0.288 290 R C -1.834 174.473 176.300 0.011 0.000 1.004 290 R CA -0.337 55.771 56.100 0.013 0.000 0.895 290 R CB 2.302 32.593 30.300 -0.016 0.000 1.191 290 R HN 0.882 nan 8.270 nan 0.000 0.444 291 D N 0.714 121.121 120.400 0.012 0.000 2.665 291 D HA 0.096 4.736 4.640 -0.000 0.000 0.287 291 D C 0.364 176.676 176.300 0.021 0.000 1.266 291 D CA -0.460 53.549 54.000 0.015 0.000 0.830 291 D CB 1.691 42.502 40.800 0.017 0.000 1.356 291 D HN 0.461 nan 8.370 nan 0.000 0.437 292 Q N -0.249 119.563 119.800 0.020 0.000 1.948 292 Q HA -0.054 4.286 4.340 -0.000 0.000 0.205 292 Q C 0.165 176.182 176.000 0.028 0.000 0.992 292 Q CA 1.477 57.295 55.803 0.025 0.000 0.849 292 Q CB -0.157 28.592 28.738 0.018 0.000 0.918 292 Q HN 0.595 nan 8.270 nan 0.000 0.421 293 D N -1.096 119.318 120.400 0.024 0.000 2.253 293 D HA 0.032 4.672 4.640 -0.000 0.000 0.249 293 D C 0.464 176.781 176.300 0.027 0.000 1.049 293 D CA 0.242 54.257 54.000 0.025 0.000 0.929 293 D CB 1.477 42.289 40.800 0.020 0.000 1.176 293 D HN 0.077 nan 8.370 nan 0.000 0.437 294 S N 0.714 116.432 115.700 0.030 0.000 2.481 294 S HA -0.001 4.469 4.470 -0.000 0.000 0.231 294 S C 1.913 176.533 174.600 0.034 0.000 0.996 294 S CA 0.473 58.693 58.200 0.033 0.000 0.942 294 S CB -0.304 62.916 63.200 0.034 0.000 0.768 294 S HN 0.633 nan 8.310 nan 0.000 0.520 295 A N 1.715 124.553 122.820 0.030 0.000 1.898 295 A HA 0.114 4.434 4.320 -0.000 0.000 0.216 295 A C 2.287 179.888 177.584 0.028 0.000 1.181 295 A CA 1.477 53.531 52.037 0.029 0.000 0.620 295 A CB -0.922 18.093 19.000 0.024 0.000 0.819 295 A HN 0.426 nan 8.150 nan 0.000 0.442 296 V N -0.317 119.612 119.914 0.025 0.000 2.809 296 V HA -0.139 3.981 4.120 -0.000 0.000 0.256 296 V C 2.405 178.515 176.094 0.027 0.000 1.080 296 V CA 1.561 63.875 62.300 0.023 0.000 1.102 296 V CB -0.278 31.557 31.823 0.019 0.000 0.705 296 V HN 0.360 nan 8.190 nan 0.000 0.475 297 V N -0.651 119.283 119.914 0.032 0.000 2.407 297 V HA -0.150 3.970 4.120 -0.000 0.000 0.245 297 V C 2.506 178.630 176.094 0.050 0.000 1.041 297 V CA 1.914 64.237 62.300 0.039 0.000 1.040 297 V CB -0.376 31.470 31.823 0.038 0.000 0.671 297 V HN 0.525 nan 8.190 nan 0.000 0.455 298 S N 0.327 116.056 115.700 0.049 0.000 2.359 298 S HA -0.198 4.272 4.470 -0.000 0.000 0.224 298 S C 2.279 176.904 174.600 0.041 0.000 1.035 298 S CA 1.945 60.177 58.200 0.053 0.000 1.018 298 S CB -0.281 62.949 63.200 0.049 0.000 0.876 298 S HN 0.600 nan 8.310 nan 0.000 0.448 299 S N 2.031 117.751 115.700 0.033 0.000 2.345 299 S HA -0.045 4.425 4.470 -0.000 0.000 0.220 299 S C 1.692 176.306 174.600 0.024 0.000 1.031 299 S CA 1.067 59.283 58.200 0.026 0.000 0.996 299 S CB -0.535 62.678 63.200 0.022 0.000 0.882 299 S HN 0.434 nan 8.310 nan 0.000 0.445 300 N N 1.088 119.803 118.700 0.025 0.000 2.443 300 N HA 0.078 4.818 4.740 -0.000 0.000 0.184 300 N C 1.353 176.877 175.510 0.023 0.000 1.037 300 N CA 0.486 53.549 53.050 0.022 0.000 0.896 300 N CB -0.122 38.379 38.487 0.022 0.000 0.959 300 N HN 0.421 nan 8.380 nan 0.000 0.442 301 I N -0.532 120.056 120.570 0.031 0.000 3.339 301 I HA -0.000 4.169 4.170 -0.000 0.000 0.285 301 I C 1.828 177.952 176.117 0.012 0.000 1.201 301 I CA 0.312 61.628 61.300 0.028 0.000 1.434 301 I CB 0.206 38.245 38.000 0.066 0.000 1.152 301 I HN -0.070 nan 8.210 nan 0.000 0.443 302 K N 1.124 121.534 120.400 0.016 0.000 2.147 302 K HA -0.261 4.059 4.320 -0.000 0.000 0.205 302 K C 2.076 178.683 176.600 0.012 0.000 1.049 302 K CA 1.521 57.814 56.287 0.009 0.000 0.936 302 K CB 0.108 32.618 32.500 0.015 0.000 0.722 302 K HN 0.085 nan 8.250 nan 0.000 0.446 303 K N 0.712 121.120 120.400 0.014 0.000 2.031 303 K HA -0.064 4.256 4.320 -0.000 0.000 0.205 303 K C 1.834 178.443 176.600 0.016 0.000 1.049 303 K CA 0.995 57.291 56.287 0.014 0.000 0.939 303 K CB -0.022 32.487 32.500 0.014 0.000 0.717 303 K HN -0.014 nan 8.250 nan 0.000 0.438 304 I N 1.061 121.639 120.570 0.013 0.000 2.179 304 I HA -0.215 3.955 4.170 -0.000 0.000 0.242 304 I C 2.160 178.285 176.117 0.013 0.000 1.088 304 I CA 1.127 62.436 61.300 0.015 0.000 1.357 304 I CB -0.910 37.094 38.000 0.007 0.000 1.051 304 I HN 0.023 nan 8.210 nan 0.000 0.409 305 V N 1.187 121.097 119.914 -0.006 0.000 2.626 305 V HA -0.166 3.954 4.120 -0.000 0.000 0.252 305 V C 2.630 178.751 176.094 0.046 0.000 1.067 305 V CA 1.518 63.825 62.300 0.011 0.000 1.081 305 V CB -1.069 30.767 31.823 0.022 0.000 0.686 305 V HN 0.449 nan 8.190 nan 0.000 0.468 306 A N -0.512 122.326 122.820 0.029 0.000 2.030 306 A HA -0.103 4.217 4.320 -0.000 0.000 0.215 306 A C 1.899 179.494 177.584 0.019 0.000 1.164 306 A CA 1.385 53.436 52.037 0.024 0.000 0.697 306 A CB -0.318 18.692 19.000 0.017 0.000 0.827 306 A HN 0.494 nan 8.150 nan 0.000 0.457 307 D N -0.682 119.733 120.400 0.025 0.000 2.249 307 D HA 0.086 4.726 4.640 -0.000 0.000 0.205 307 D C 1.682 178.005 176.300 0.037 0.000 0.962 307 D CA 0.581 54.600 54.000 0.031 0.000 0.860 307 D CB 0.101 40.925 40.800 0.039 0.000 0.955 307 D HN 0.357 nan 8.370 nan 0.000 0.505 308 L N -0.192 121.056 121.223 0.042 0.000 2.477 308 L HA 0.128 4.467 4.340 -0.000 0.000 0.220 308 L C 2.079 178.919 176.870 -0.049 0.000 1.106 308 L CA 0.300 55.164 54.840 0.041 0.000 0.851 308 L CB 0.086 42.213 42.059 0.113 0.000 0.994 308 L HN -0.083 nan 8.230 nan 0.000 0.462 309 K N 0.595 120.983 120.400 -0.021 0.000 2.097 309 K HA -0.138 4.182 4.320 -0.000 0.000 0.205 309 K C 1.408 177.961 176.600 -0.077 0.000 1.050 309 K CA 0.994 57.254 56.287 -0.045 0.000 0.938 309 K CB 0.258 32.760 32.500 0.003 0.000 0.718 309 K HN -0.078 nan 8.250 nan 0.000 0.442 310 K N 1.188 121.557 120.400 -0.051 0.000 3.127 310 K HA 0.095 4.414 4.320 -0.000 0.000 0.236 310 K C -0.241 176.325 176.600 -0.056 0.000 1.271 310 K CA -0.270 55.985 56.287 -0.053 0.000 1.224 310 K CB 0.312 32.796 32.500 -0.027 0.000 1.482 310 K HN 0.188 nan 8.250 nan 0.000 0.435 311 G N 1.495 110.232 108.800 -0.105 0.000 2.611 311 G HA2 0.114 4.074 3.960 -0.000 0.000 0.273 311 G HA3 0.114 4.074 3.960 -0.000 0.000 0.273 311 G C -0.209 174.653 174.900 -0.063 0.000 1.305 311 G CA -0.184 44.865 45.100 -0.085 0.000 1.010 311 G HN 0.445 nan 8.290 nan 0.000 0.509 312 K N -1.843 118.538 120.400 -0.032 0.000 2.544 312 K HA 0.548 4.868 4.320 -0.000 0.000 0.282 312 K C -0.754 175.767 176.600 -0.131 0.000 1.020 312 K CA -0.407 55.845 56.287 -0.060 0.000 0.830 312 K CB 1.536 34.018 32.500 -0.031 0.000 1.521 312 K HN 0.522 nan 8.250 nan 0.000 0.376 313 D N -1.496 118.794 120.400 -0.184 0.000 1.818 313 D HA 0.147 4.786 4.640 -0.000 0.000 0.138 313 D C -0.611 175.566 176.300 -0.206 0.000 1.475 313 D CA 0.716 54.517 54.000 -0.331 0.000 0.708 313 D CB 0.002 40.627 40.800 -0.291 0.000 3.175 313 D HN 0.493 nan 8.370 nan 0.000 0.196 314 L N 0.930 122.077 121.223 -0.126 0.000 3.898 314 L HA -0.240 4.100 4.340 -0.000 0.000 0.407 314 L C 0.190 177.024 176.870 -0.060 0.000 1.207 314 L CA 0.710 55.506 54.840 -0.074 0.000 0.931 314 L CB -2.136 39.893 42.059 -0.050 0.000 2.014 314 L HN 0.577 nan 8.230 nan 0.000 0.858 315 S N -3.116 112.538 115.700 -0.077 0.000 3.549 315 S HA -0.155 4.314 4.470 -0.000 0.000 0.366 315 S C -0.571 174.031 174.600 0.002 0.000 1.012 315 S CA 0.583 58.762 58.200 -0.034 0.000 1.141 315 S CB -1.351 61.846 63.200 -0.005 0.000 0.910 315 S HN 0.542 nan 8.310 nan 0.000 0.471 316 P HA 0.237 nan 4.420 nan 0.000 0.220 316 P C 1.238 178.594 177.300 0.094 0.000 1.152 316 P CA 1.484 64.608 63.100 0.040 0.000 0.812 316 P CB -0.250 31.480 31.700 0.050 0.000 0.792 317 A N -1.321 121.584 122.820 0.141 0.000 2.345 317 A HA 0.158 4.478 4.320 -0.000 0.000 0.225 317 A C 1.760 179.494 177.584 0.249 0.000 1.243 317 A CA -0.178 52.013 52.037 0.256 0.000 0.875 317 A CB -1.311 17.918 19.000 0.382 0.000 0.929 317 A HN 0.007 nan 8.150 nan 0.000 0.502 318 I N 0.629 121.303 120.570 0.172 0.000 2.530 318 I HA -0.232 3.938 4.170 -0.000 0.000 0.257 318 I C 1.614 177.830 176.117 0.165 0.000 1.179 318 I CA 1.345 62.759 61.300 0.190 0.000 1.440 318 I CB -0.119 37.958 38.000 0.129 0.000 1.087 318 I HN 0.363 nan 8.210 nan 0.000 0.440 319 N N -1.933 116.850 118.700 0.139 0.000 2.414 319 N HA -0.082 4.658 4.740 -0.000 0.000 0.177 319 N C 1.735 177.315 175.510 0.117 0.000 1.062 319 N CA 0.483 53.589 53.050 0.093 0.000 0.890 319 N CB -0.023 38.511 38.487 0.080 0.000 1.070 319 N HN 0.427 nan 8.380 nan 0.000 0.454 320 Y N 1.669 121.998 120.300 0.049 0.000 2.206 320 Y HA -0.052 4.498 4.550 -0.000 0.000 0.292 320 Y C 2.538 178.476 175.900 0.064 0.000 1.123 320 Y CA 1.294 59.423 58.100 0.050 0.000 1.142 320 Y CB -0.317 38.181 38.460 0.063 0.000 1.006 320 Y HN -0.137 nan 8.280 nan 0.000 0.518 321 T N 0.082 114.685 114.554 0.081 0.000 3.072 321 T HA -0.108 4.242 4.350 -0.000 0.000 0.266 321 T C 1.759 176.459 174.700 0.000 0.000 1.127 321 T CA 1.241 63.375 62.100 0.057 0.000 1.107 321 T CB -0.339 68.711 68.868 0.304 0.000 0.910 321 T HN 0.380 nan 8.240 nan 0.000 0.513 322 K N -0.264 120.074 120.400 -0.105 0.000 2.284 322 K HA 0.121 4.441 4.320 -0.000 0.000 0.198 322 K C 1.985 178.455 176.600 -0.217 0.000 1.048 322 K CA 0.017 56.117 56.287 -0.312 0.000 0.987 322 K CB -0.044 32.291 32.500 -0.274 0.000 0.800 322 K HN 0.222 nan 8.250 nan 0.000 0.486 323 L N 1.924 123.050 121.223 -0.163 0.000 2.005 323 L HA -0.128 4.212 4.340 -0.000 0.000 0.207 323 L C 2.006 178.762 176.870 -0.191 0.000 1.072 323 L CA 1.922 56.672 54.840 -0.150 0.000 0.744 323 L CB -0.737 41.253 42.059 -0.115 0.000 0.895 323 L HN 0.024 nan 8.230 nan 0.000 0.433 324 K N -0.016 120.211 120.400 -0.288 0.000 2.097 324 K HA -0.121 4.199 4.320 -0.000 0.000 0.205 324 K C 1.822 178.338 176.600 -0.139 0.000 1.050 324 K CA 1.363 57.504 56.287 -0.244 0.000 0.938 324 K CB -0.231 32.065 32.500 -0.340 0.000 0.718 324 K HN 0.368 nan 8.250 nan 0.000 0.442 325 N N -1.096 117.524 118.700 -0.133 0.000 2.521 325 N HA -0.013 4.727 4.740 -0.000 0.000 0.188 325 N C 0.579 176.017 175.510 -0.119 0.000 1.146 325 N CA 0.367 53.359 53.050 -0.097 0.000 0.893 325 N CB 0.259 38.685 38.487 -0.101 0.000 0.975 325 N HN 0.231 nan 8.380 nan 0.000 0.451 326 A N -0.225 122.519 122.820 -0.127 0.000 2.070 326 A HA 0.049 4.369 4.320 -0.000 0.000 0.202 326 A C 1.795 179.334 177.584 -0.075 0.000 1.277 326 A CA -0.010 51.965 52.037 -0.104 0.000 0.872 326 A CB -0.161 18.771 19.000 -0.113 0.000 0.933 326 A HN 0.180 nan 8.150 nan 0.000 0.475 327 V N -1.517 118.351 119.914 -0.077 0.000 3.444 327 V HA -0.028 4.092 4.120 -0.000 0.000 0.271 327 V C 0.867 176.932 176.094 -0.048 0.000 1.188 327 V CA 1.117 63.382 62.300 -0.058 0.000 1.168 327 V CB -1.328 30.460 31.823 -0.058 0.000 0.810 327 V HN 0.536 nan 8.190 nan 0.000 0.500 328 Q N 1.120 120.891 119.800 -0.048 0.000 2.414 328 Q HA 0.205 4.545 4.340 -0.000 0.000 0.286 328 Q C 1.241 177.221 176.000 -0.034 0.000 0.941 328 Q CA -0.278 55.503 55.803 -0.037 0.000 0.951 328 Q CB -0.281 28.439 28.738 -0.032 0.000 1.188 328 Q HN 0.625 nan 8.270 nan 0.000 0.418 329 N N 1.941 120.620 118.700 -0.036 0.000 2.231 329 N HA -0.330 4.410 4.740 -0.000 0.000 0.199 329 N C 1.622 177.114 175.510 -0.030 0.000 0.965 329 N CA 2.400 55.430 53.050 -0.033 0.000 0.919 329 N CB -0.121 38.346 38.487 -0.033 0.000 1.067 329 N HN 0.616 nan 8.380 nan 0.000 0.583 330 E N 0.694 120.875 120.200 -0.031 0.000 2.171 330 E HA -0.146 4.204 4.350 -0.000 0.000 0.197 330 E C 1.883 178.465 176.600 -0.029 0.000 0.997 330 E CA 1.816 58.197 56.400 -0.032 0.000 0.810 330 E CB -0.519 29.160 29.700 -0.034 0.000 0.738 330 E HN 0.174 nan 8.360 nan 0.000 0.467 331 S N -0.300 115.385 115.700 -0.025 0.000 2.359 331 S HA -0.109 4.361 4.470 -0.000 0.000 0.223 331 S C 0.651 175.245 174.600 -0.010 0.000 1.039 331 S CA 0.960 59.150 58.200 -0.017 0.000 1.042 331 S CB -0.468 62.723 63.200 -0.014 0.000 0.915 331 S HN 0.264 nan 8.310 nan 0.000 0.439 332 V N 2.366 122.273 119.914 -0.013 0.000 2.678 332 V HA 0.025 4.145 4.120 -0.000 0.000 0.304 332 V C 0.869 176.963 176.094 0.001 0.000 1.086 332 V CA 1.112 63.408 62.300 -0.007 0.000 1.246 332 V CB 0.088 31.903 31.823 -0.014 0.000 0.861 332 V HN 0.763 nan 8.190 nan 0.000 0.491 333 S N 2.664 118.371 115.700 0.012 0.000 3.717 333 S HA -0.125 4.345 4.470 -0.000 0.000 0.289 333 S C 0.162 174.782 174.600 0.033 0.000 1.198 333 S CA 0.430 58.646 58.200 0.026 0.000 0.801 333 S CB -1.340 61.873 63.200 0.020 0.000 0.942 333 S HN 1.938 nan 8.310 nan 0.000 0.602 334 S N 1.122 116.837 115.700 0.027 0.000 2.489 334 S HA 0.857 5.327 4.470 -0.000 0.000 0.291 334 S C -1.566 173.060 174.600 0.044 0.000 1.151 334 S CA -0.996 57.221 58.200 0.029 0.000 1.082 334 S CB 1.065 64.269 63.200 0.008 0.000 1.019 334 S HN 0.386 nan 8.310 nan 0.000 0.492 335 P HA 0.443 nan 4.420 nan 0.000 0.289 335 P C -0.513 176.833 177.300 0.077 0.000 1.299 335 P CA -1.042 62.102 63.100 0.074 0.000 0.766 335 P CB 0.007 31.761 31.700 0.089 0.000 1.226 336 I N 0.264 120.887 120.570 0.089 0.000 3.384 336 I HA -0.249 3.921 4.170 -0.000 0.000 0.361 336 I C 1.586 177.778 176.117 0.125 0.000 1.146 336 I CA 1.203 62.565 61.300 0.103 0.000 1.572 336 I CB -0.211 37.860 38.000 0.119 0.000 1.239 336 I HN 0.376 nan 8.210 nan 0.000 0.473 337 E N 4.454 124.712 120.200 0.096 0.000 2.329 337 E HA 0.189 4.539 4.350 -0.000 0.000 0.189 337 E C 1.330 178.001 176.600 0.119 0.000 0.997 337 E CA 0.126 56.557 56.400 0.051 0.000 1.062 337 E CB 0.109 29.802 29.700 -0.012 0.000 1.260 337 E HN 0.522 nan 8.360 nan 0.000 0.490 338 L N 3.106 124.388 121.223 0.099 0.000 2.798 338 L HA 0.037 4.377 4.340 -0.000 0.000 0.254 338 L C 1.346 178.319 176.870 0.171 0.000 1.176 338 L CA 0.463 55.372 54.840 0.116 0.000 0.991 338 L CB -0.887 41.211 42.059 0.065 0.000 1.225 338 L HN 0.181 nan 8.230 nan 0.000 0.420 339 N N -0.855 118.001 118.700 0.260 0.000 2.467 339 N HA -0.064 4.676 4.740 -0.000 0.000 0.184 339 N C 1.437 177.038 175.510 0.151 0.000 1.106 339 N CA 0.289 53.446 53.050 0.178 0.000 0.892 339 N CB 0.333 38.900 38.487 0.133 0.000 0.969 339 N HN 0.219 nan 8.380 nan 0.000 0.454 340 F N 1.169 121.124 119.950 0.008 0.000 2.219 340 F HA 0.058 4.585 4.527 -0.000 0.000 0.294 340 F C 0.712 176.512 175.800 0.001 0.000 1.086 340 F CA 0.496 58.498 58.000 0.002 0.000 1.330 340 F CB -0.326 38.676 39.000 0.005 0.000 1.047 340 F HN -0.098 nan 8.300 nan 0.000 0.495 341 D N 0.129 120.655 120.400 0.210 0.000 2.982 341 D HA 0.385 5.025 4.640 -0.000 0.000 0.238 341 D C 0.733 177.075 176.300 0.070 0.000 1.168 341 D CA 0.363 54.428 54.000 0.109 0.000 0.947 341 D CB 0.011 40.862 40.800 0.084 0.000 1.147 341 D HN 0.249 nan 8.370 nan 0.000 0.450 342 A N -0.327 122.523 122.820 0.050 0.000 1.677 342 A HA 0.337 4.657 4.320 -0.000 0.000 0.149 342 A C 0.028 177.610 177.584 -0.002 0.000 1.624 342 A CA -0.270 51.782 52.037 0.024 0.000 1.596 342 A CB 0.281 19.298 19.000 0.027 0.000 1.396 342 A HN 0.184 nan 8.150 nan 0.000 1.088 343 V N 0.134 120.032 119.914 -0.028 0.000 2.481 343 V HA 0.637 4.757 4.120 -0.000 0.000 0.286 343 V C 0.197 176.247 176.094 -0.073 0.000 1.042 343 V CA 0.201 62.472 62.300 -0.048 0.000 0.928 343 V CB 1.086 32.875 31.823 -0.056 0.000 0.986 343 V HN 0.802 nan 8.190 nan 0.000 0.462 344 K N 0.282 120.643 120.400 -0.065 0.000 2.481 344 K HA 0.387 4.707 4.320 -0.000 0.000 0.210 344 K C -0.354 176.194 176.600 -0.087 0.000 1.161 344 K CA -0.393 55.846 56.287 -0.079 0.000 1.023 344 K CB 0.698 33.166 32.500 -0.053 0.000 0.971 344 K HN 0.636 nan 8.250 nan 0.000 0.577 345 D N 0.772 121.133 120.400 -0.065 0.000 2.229 345 D HA 0.430 5.070 4.640 -0.000 0.000 0.249 345 D C -1.834 174.470 176.300 0.006 0.000 1.027 345 D CA -0.229 53.742 54.000 -0.049 0.000 0.923 345 D CB 1.172 41.940 40.800 -0.052 0.000 1.174 345 D HN 0.158 nan 8.370 nan 0.000 0.443 346 F N 1.726 121.557 119.950 -0.198 0.000 2.605 346 F HA 0.269 4.796 4.527 -0.000 0.000 0.320 346 F C -0.147 175.547 175.800 -0.176 0.000 1.159 346 F CA -0.866 56.992 58.000 -0.238 0.000 0.999 346 F CB 0.939 39.746 39.000 -0.322 0.000 1.258 346 F HN 0.192 nan 8.300 nan 0.000 0.464 347 K N 4.506 124.332 120.400 -0.957 0.000 2.851 347 K HA 0.563 4.883 4.320 -0.000 0.000 0.321 347 K C -1.598 174.226 176.600 -1.295 0.000 0.977 347 K CA -0.320 55.472 56.287 -0.824 0.000 1.366 347 K CB 0.363 32.599 32.500 -0.438 0.000 1.524 347 K HN 0.788 nan 8.250 nan 0.000 0.683 348 L N 0.248 121.075 121.223 -0.660 0.000 2.845 348 L HA 0.339 4.679 4.340 -0.000 0.000 0.253 348 L C -0.107 176.712 176.870 -0.086 0.000 0.959 348 L CA -0.193 54.422 54.840 -0.375 0.000 1.001 348 L CB 1.344 43.307 42.059 -0.160 0.000 1.374 348 L HN 0.850 nan 8.230 nan 0.000 0.469 349 G N 2.665 111.456 108.800 -0.015 0.000 2.803 349 G HA2 0.199 4.159 3.960 -0.000 0.000 0.177 349 G HA3 0.199 4.159 3.960 -0.000 0.000 0.177 349 G C -0.465 174.434 174.900 -0.001 0.000 1.629 349 G CA -0.520 44.577 45.100 -0.004 0.000 1.077 349 G HN 0.489 nan 8.290 nan 0.000 0.556 350 K N 0.111 120.477 120.400 -0.056 0.000 2.174 350 K HA 0.455 4.775 4.320 -0.000 0.000 0.275 350 K C -0.771 175.776 176.600 -0.088 0.000 1.015 350 K CA -0.149 56.020 56.287 -0.196 0.000 0.933 350 K CB 1.068 33.473 32.500 -0.159 0.000 1.025 350 K HN 0.388 nan 8.250 nan 0.000 0.463 351 F N -0.729 119.234 119.950 0.021 0.000 2.814 351 F HA 0.538 5.065 4.527 -0.000 0.000 0.353 351 F C -0.519 175.296 175.800 0.025 0.000 1.177 351 F CA -1.314 56.699 58.000 0.022 0.000 1.036 351 F CB 0.737 39.777 39.000 0.066 0.000 1.455 351 F HN 0.236 nan 8.300 nan 0.000 0.520 352 N N -0.773 118.188 118.700 0.435 0.000 2.292 352 N HA 0.344 5.084 4.740 -0.000 0.000 0.303 352 N C -2.253 173.504 175.510 0.412 0.000 1.140 352 N CA -0.361 52.871 53.050 0.304 0.000 0.788 352 N CB 2.706 41.248 38.487 0.091 0.000 1.361 352 N HN 0.784 nan 8.380 nan 0.000 0.489 353 Y N 0.590 120.998 120.300 0.180 0.000 2.457 353 Y HA 0.493 5.043 4.550 -0.000 0.000 0.343 353 Y C -1.222 174.712 175.900 0.056 0.000 0.994 353 Y CA -0.823 57.358 58.100 0.134 0.000 1.031 353 Y CB 1.163 39.756 38.460 0.222 0.000 1.246 353 Y HN 0.288 nan 8.280 nan 0.000 0.449 354 V N 2.304 121.840 119.914 -0.630 0.000 2.638 354 V HA 0.986 5.106 4.120 -0.000 0.000 0.306 354 V C -0.789 174.830 176.094 -0.792 0.000 1.052 354 V CA -0.753 61.197 62.300 -0.584 0.000 0.885 354 V CB 1.156 32.835 31.823 -0.240 0.000 0.999 354 V HN 1.152 nan 8.190 nan 0.000 0.424 355 A N 4.103 126.562 122.820 -0.602 0.000 2.260 355 A HA 0.851 5.171 4.320 -0.000 0.000 0.314 355 A C -0.527 176.939 177.584 -0.196 0.000 1.257 355 A CA -0.607 51.214 52.037 -0.360 0.000 0.871 355 A CB 1.185 20.044 19.000 -0.235 0.000 1.166 355 A HN 1.325 nan 8.150 nan 0.000 0.522 356 V N 2.938 122.760 119.914 -0.153 0.000 2.444 356 V HA 0.812 4.932 4.120 -0.000 0.000 0.294 356 V C 0.767 176.829 176.094 -0.054 0.000 1.022 356 V CA 0.729 62.958 62.300 -0.119 0.000 0.850 356 V CB 0.550 32.247 31.823 -0.210 0.000 0.992 356 V HN 1.834 nan 8.190 nan 0.000 0.426 357 G N 4.525 113.352 108.800 0.045 0.000 2.178 357 G HA2 -0.102 3.858 3.960 -0.000 0.000 0.147 357 G HA3 -0.102 3.858 3.960 -0.000 0.000 0.147 357 G C -0.621 174.332 174.900 0.089 0.000 1.245 357 G CA -0.198 44.981 45.100 0.132 0.000 1.275 357 G HN 0.594 nan 8.290 nan 0.000 0.491 358 D N 1.487 121.925 120.400 0.065 0.000 2.482 358 D HA 0.362 5.002 4.640 -0.000 0.000 0.244 358 D C 1.566 177.882 176.300 0.027 0.000 1.242 358 D CA 0.456 54.482 54.000 0.043 0.000 1.097 358 D CB 0.781 41.605 40.800 0.039 0.000 1.109 358 D HN 0.215 nan 8.370 nan 0.000 0.510 359 V N 2.443 122.369 119.914 0.021 0.000 2.591 359 V HA -0.122 3.998 4.120 -0.000 0.000 0.249 359 V C 2.171 178.265 176.094 -0.000 0.000 1.053 359 V CA 1.206 63.501 62.300 -0.009 0.000 1.068 359 V CB -0.018 31.798 31.823 -0.010 0.000 0.689 359 V HN 0.439 nan 8.190 nan 0.000 0.462 360 S N -0.118 115.605 115.700 0.038 0.000 2.660 360 S HA 0.047 4.516 4.470 -0.000 0.000 0.228 360 S C 1.210 175.854 174.600 0.072 0.000 0.966 360 S CA 0.387 58.630 58.200 0.072 0.000 0.940 360 S CB -0.451 62.788 63.200 0.066 0.000 0.773 360 S HN 0.627 nan 8.310 nan 0.000 0.535 361 N N 0.545 119.275 118.700 0.050 0.000 2.307 361 N HA 0.199 4.939 4.740 -0.000 0.000 0.248 361 N C -1.473 174.065 175.510 0.047 0.000 1.322 361 N CA -0.075 53.006 53.050 0.052 0.000 0.861 361 N CB 0.740 39.253 38.487 0.043 0.000 1.303 361 N HN 0.192 nan 8.380 nan 0.000 0.498 362 L N 1.231 122.473 121.223 0.032 0.000 2.341 362 L HA 0.605 4.945 4.340 -0.000 0.000 0.267 362 L C -2.209 174.681 176.870 0.033 0.000 1.009 362 L CA -2.037 52.822 54.840 0.033 0.000 0.819 362 L CB 1.509 43.574 42.059 0.010 0.000 1.323 362 L HN -0.108 nan 8.230 nan 0.000 0.425 363 P HA 0.126 nan 4.420 nan 0.000 0.268 363 P C -1.163 176.165 177.300 0.047 0.000 1.205 363 P CA 0.182 63.332 63.100 0.084 0.000 0.771 363 P CB 0.193 31.913 31.700 0.033 0.000 0.858 364 Y N 0.800 121.135 120.300 0.057 0.000 2.340 364 Y HA 0.117 4.667 4.550 -0.000 0.000 0.327 364 Y C 1.675 177.506 175.900 -0.115 0.000 1.321 364 Y CA -0.460 57.678 58.100 0.063 0.000 1.433 364 Y CB 0.229 38.720 38.460 0.052 0.000 1.373 364 Y HN 0.199 nan 8.280 nan 0.000 0.538 365 L N 0.988 122.269 121.223 0.096 0.000 2.201 365 L HA -0.158 4.182 4.340 -0.000 0.000 0.212 365 L C 1.470 178.322 176.870 -0.030 0.000 1.105 365 L CA 1.619 56.420 54.840 -0.064 0.000 0.775 365 L CB -0.810 41.286 42.059 0.062 0.000 0.913 365 L HN 0.652 nan 8.230 nan 0.000 0.440 366 D N 0.446 120.867 120.400 0.036 0.000 2.116 366 D HA -0.241 4.399 4.640 -0.000 0.000 0.193 366 D C 1.354 177.652 176.300 -0.003 0.000 0.998 366 D CA 1.818 55.824 54.000 0.009 0.000 0.836 366 D CB -0.178 40.630 40.800 0.013 0.000 0.951 366 D HN 0.702 nan 8.370 nan 0.000 0.449 367 E N 0.117 120.321 120.200 0.007 0.000 2.411 367 E HA 0.250 4.600 4.350 -0.000 0.000 0.204 367 E C 0.372 176.969 176.600 -0.006 0.000 1.059 367 E CA -0.167 56.237 56.400 0.006 0.000 1.112 367 E CB 0.079 29.796 29.700 0.029 0.000 1.168 367 E HN 0.207 nan 8.360 nan 0.000 0.445 368 L N 0.000 121.216 121.223 -0.012 0.000 2.949 368 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 368 L CA 0.000 54.847 54.840 0.011 0.000 0.813 368 L CB 0.000 42.064 42.059 0.009 0.000 0.961 368 L HN 0.000 nan 8.230 nan 0.000 0.502