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 1yo6_1_D DATA FIRST_RESID 1 DATA SEQUENCE MSPGSVVVTG ANRGIGLGLV QQLVKDKNIR HIIATARDVE KATELKSIKD DATA SEQUENCE SRVHVLPLTV TCDKSLDTFV SKVGEIVGSD GLSLLINNAG VLLSYGTNTE DATA SEQUENCE PNRAVIAEQL DVNTTSVVLL TQKLLPLLKN AASKESGDQL SVSRAAVITI DATA SEQUENCE SSGLGSITDN TSGSAQFPVL AYRMSKAAIN MFGRTLAVDL KDDNVLVVNF DATA SEQUENCE CPGWXXXXXX XXXXXXXXEQ STAELISSFN KLDNSHNGRF FMRNLKPYEF VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.320 176.300 0.033 0.000 1.140 1 M CA 0.000 55.316 55.300 0.026 0.000 0.988 1 M CB 0.000 32.615 32.600 0.025 0.000 1.302 2 S N 1.221 116.942 115.700 0.034 0.000 2.600 2 S HA 0.798 5.268 4.470 -0.000 0.000 0.300 2 S C -2.669 171.958 174.600 0.046 0.000 1.087 2 S CA -1.055 57.170 58.200 0.042 0.000 0.965 2 S CB 2.004 65.226 63.200 0.037 0.000 1.089 2 S HN 0.403 nan 8.310 nan 0.000 0.496 3 P HA 0.253 nan 4.420 nan 0.000 0.277 3 P C 0.614 177.949 177.300 0.058 0.000 1.240 3 P CA -0.330 62.802 63.100 0.054 0.000 0.798 3 P CB 0.684 32.422 31.700 0.065 0.000 0.979 4 G N 1.627 110.456 108.800 0.050 0.000 2.394 4 G HA2 -0.045 3.915 3.960 -0.000 0.000 0.214 4 G HA3 -0.045 3.915 3.960 -0.000 0.000 0.214 4 G C 0.402 175.362 174.900 0.099 0.000 1.176 4 G CA 0.528 45.670 45.100 0.069 0.000 0.786 4 G HN 0.725 nan 8.290 nan 0.000 0.533 5 S N -1.353 114.375 115.700 0.048 0.000 2.570 5 S HA 0.743 5.213 4.470 -0.000 0.000 0.286 5 S C -1.240 173.391 174.600 0.051 0.000 1.099 5 S CA -0.795 57.434 58.200 0.048 0.000 0.913 5 S CB 2.777 65.934 63.200 -0.071 0.000 1.085 5 S HN 0.252 nan 8.310 nan 0.000 0.480 6 V N 1.222 121.178 119.914 0.072 0.000 2.841 6 V HA 0.627 4.747 4.120 -0.000 0.000 0.310 6 V C -1.037 175.113 176.094 0.095 0.000 1.090 6 V CA -0.720 61.633 62.300 0.087 0.000 0.930 6 V CB 2.060 33.945 31.823 0.104 0.000 1.014 6 V HN 0.833 nan 8.190 nan 0.000 0.425 7 V N 4.484 124.466 119.914 0.113 0.000 2.349 7 V HA 0.416 4.536 4.120 -0.000 0.000 0.284 7 V C -0.448 175.738 176.094 0.153 0.000 1.014 7 V CA -0.425 61.969 62.300 0.156 0.000 0.826 7 V CB 1.914 33.856 31.823 0.198 0.000 1.009 7 V HN 0.645 nan 8.190 nan 0.000 0.431 8 V N 4.912 124.905 119.914 0.132 0.000 2.370 8 V HA 0.454 4.574 4.120 -0.000 0.000 0.279 8 V C 0.589 176.722 176.094 0.066 0.000 1.029 8 V CA -0.440 61.921 62.300 0.102 0.000 0.870 8 V CB 1.864 33.737 31.823 0.083 0.000 0.984 8 V HN 0.942 nan 8.190 nan 0.000 0.451 9 T N 0.884 115.463 114.554 0.042 0.000 2.909 9 T HA 0.576 4.926 4.350 -0.000 0.000 0.286 9 T C 1.056 175.746 174.700 -0.016 0.000 1.002 9 T CA 0.184 62.267 62.100 -0.028 0.000 1.074 9 T CB 1.468 70.307 68.868 -0.049 0.000 0.984 9 T HN 1.687 nan 8.240 nan 0.000 0.495 10 G N 0.991 109.765 108.800 -0.043 0.000 2.225 10 G HA2 -0.113 3.846 3.960 -0.000 0.000 0.267 10 G HA3 -0.113 3.846 3.960 -0.000 0.000 0.267 10 G C 0.731 175.631 174.900 0.001 0.000 1.024 10 G CA 0.049 45.137 45.100 -0.020 0.000 0.784 10 G HN 1.555 nan 8.290 nan 0.000 0.507 11 A N 0.376 123.199 122.820 0.005 0.000 2.276 11 A HA 0.202 4.522 4.320 -0.000 0.000 0.212 11 A C 2.069 179.661 177.584 0.013 0.000 1.230 11 A CA 1.157 53.204 52.037 0.016 0.000 0.844 11 A CB -0.339 18.677 19.000 0.026 0.000 0.860 11 A HN 0.882 nan 8.150 nan 0.000 0.486 12 N N 1.150 119.854 118.700 0.006 0.000 2.364 12 N HA -0.144 4.596 4.740 -0.000 0.000 0.183 12 N C 0.534 176.050 175.510 0.009 0.000 1.022 12 N CA 1.232 54.286 53.050 0.007 0.000 0.883 12 N CB -0.185 38.303 38.487 0.001 0.000 0.965 12 N HN 0.792 nan 8.380 nan 0.000 0.438 13 R N -3.425 117.082 120.500 0.011 0.000 2.741 13 R HA 0.490 4.830 4.340 -0.000 0.000 0.276 13 R C 0.277 176.587 176.300 0.017 0.000 1.028 13 R CA -0.351 55.757 56.100 0.014 0.000 0.865 13 R CB 0.382 30.691 30.300 0.014 0.000 1.268 13 R HN -0.021 nan 8.270 nan 0.000 0.475 14 G N 0.964 109.775 108.800 0.018 0.000 2.564 14 G HA2 -0.331 3.629 3.960 -0.000 0.000 0.273 14 G HA3 -0.331 3.629 3.960 -0.000 0.000 0.273 14 G C 0.588 175.499 174.900 0.018 0.000 1.242 14 G CA 0.414 45.527 45.100 0.022 0.000 0.951 14 G HN 0.613 nan 8.290 nan 0.000 0.564 15 I N 2.138 122.722 120.570 0.023 0.000 2.248 15 I HA -0.039 4.130 4.170 -0.000 0.000 0.248 15 I C 3.124 179.250 176.117 0.014 0.000 1.107 15 I CA 2.628 63.938 61.300 0.017 0.000 1.373 15 I CB -1.042 36.978 38.000 0.033 0.000 1.055 15 I HN 0.771 nan 8.210 nan 0.000 0.418 16 G N 0.414 109.229 108.800 0.025 0.000 2.446 16 G HA2 -0.254 3.705 3.960 -0.000 0.000 0.217 16 G HA3 -0.254 3.705 3.960 -0.000 0.000 0.217 16 G C 1.677 176.586 174.900 0.016 0.000 1.168 16 G CA 0.948 46.064 45.100 0.026 0.000 0.771 16 G HN 0.353 nan 8.290 nan 0.000 0.551 17 L N 1.463 122.693 121.223 0.012 0.000 2.156 17 L HA 0.247 4.587 4.340 -0.000 0.000 0.208 17 L C 2.773 179.642 176.870 -0.003 0.000 1.095 17 L CA 1.972 56.816 54.840 0.008 0.000 0.770 17 L CB -0.837 41.227 42.059 0.008 0.000 0.914 17 L HN 0.161 nan 8.230 nan 0.000 0.439 18 G N -0.517 108.278 108.800 -0.008 0.000 2.448 18 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.219 18 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.219 18 G C 1.524 176.395 174.900 -0.048 0.000 1.127 18 G CA 1.130 46.216 45.100 -0.025 0.000 0.766 18 G HN 0.439 nan 8.290 nan 0.000 0.552 19 L N 0.016 121.209 121.223 -0.049 0.000 2.102 19 L HA 0.022 4.362 4.340 -0.000 0.000 0.202 19 L C 2.887 179.727 176.870 -0.051 0.000 1.076 19 L CA 0.161 54.951 54.840 -0.083 0.000 0.761 19 L CB -0.467 41.546 42.059 -0.076 0.000 0.921 19 L HN 0.029 nan 8.230 nan 0.000 0.444 20 V N -0.017 119.889 119.914 -0.014 0.000 2.568 20 V HA -0.306 3.814 4.120 -0.000 0.000 0.253 20 V C 2.362 178.453 176.094 -0.004 0.000 1.072 20 V CA 1.683 63.986 62.300 0.006 0.000 1.084 20 V CB -0.627 31.210 31.823 0.023 0.000 0.676 20 V HN 0.531 nan 8.190 nan 0.000 0.469 21 Q N -1.067 118.723 119.800 -0.017 0.000 2.212 21 Q HA -0.108 4.231 4.340 -0.000 0.000 0.199 21 Q C 2.270 178.251 176.000 -0.031 0.000 0.950 21 Q CA 0.814 56.606 55.803 -0.019 0.000 0.863 21 Q CB -0.063 28.664 28.738 -0.019 0.000 0.944 21 Q HN 0.592 nan 8.270 nan 0.000 0.465 22 Q N -0.074 119.695 119.800 -0.051 0.000 2.331 22 Q HA -0.014 4.326 4.340 -0.000 0.000 0.203 22 Q C 1.847 177.810 176.000 -0.060 0.000 0.944 22 Q CA 0.560 56.321 55.803 -0.069 0.000 0.892 22 Q CB 0.185 28.855 28.738 -0.114 0.000 0.983 22 Q HN 0.260 nan 8.270 nan 0.000 0.482 23 L N 0.586 121.781 121.223 -0.046 0.000 2.109 23 L HA -0.096 4.244 4.340 -0.000 0.000 0.207 23 L C 2.342 179.209 176.870 -0.005 0.000 1.086 23 L CA 1.169 55.996 54.840 -0.021 0.000 0.760 23 L CB -0.959 41.101 42.059 0.001 0.000 0.910 23 L HN 0.119 nan 8.230 nan 0.000 0.437 24 V N -3.322 116.590 119.914 -0.004 0.000 2.809 24 V HA -0.136 3.984 4.120 -0.000 0.000 0.256 24 V C 2.304 178.394 176.094 -0.008 0.000 1.080 24 V CA 1.185 63.485 62.300 -0.000 0.000 1.102 24 V CB -0.966 30.857 31.823 0.001 0.000 0.705 24 V HN 0.385 nan 8.190 nan 0.000 0.475 25 K N 0.770 121.160 120.400 -0.016 0.000 2.442 25 K HA -0.105 4.215 4.320 -0.000 0.000 0.198 25 K C 0.584 177.174 176.600 -0.016 0.000 1.042 25 K CA 0.945 57.220 56.287 -0.019 0.000 0.958 25 K CB -0.114 32.368 32.500 -0.030 0.000 0.766 25 K HN 0.687 nan 8.250 nan 0.000 0.474 26 D N -0.070 120.323 120.400 -0.012 0.000 2.177 26 D HA 0.091 4.731 4.640 -0.000 0.000 0.247 26 D C 0.242 176.542 176.300 0.001 0.000 1.063 26 D CA -0.145 53.852 54.000 -0.005 0.000 0.867 26 D CB 1.337 42.137 40.800 -0.000 0.000 1.168 26 D HN -0.081 nan 8.370 nan 0.000 0.445 27 K N 1.990 122.391 120.400 0.002 0.000 2.284 27 K HA 0.050 4.370 4.320 -0.000 0.000 0.198 27 K C 0.992 177.597 176.600 0.008 0.000 1.048 27 K CA 0.313 56.602 56.287 0.003 0.000 0.987 27 K CB 0.180 32.681 32.500 0.001 0.000 0.800 27 K HN 0.304 nan 8.250 nan 0.000 0.486 28 N N 1.106 119.814 118.700 0.013 0.000 2.300 28 N HA 0.020 4.760 4.740 -0.000 0.000 0.179 28 N C 0.457 175.986 175.510 0.031 0.000 1.016 28 N CA 0.488 53.550 53.050 0.020 0.000 0.876 28 N CB -0.055 38.445 38.487 0.021 0.000 0.979 28 N HN 0.062 nan 8.380 nan 0.000 0.432 29 I N 1.055 121.645 120.570 0.034 0.000 2.815 29 I HA -0.089 4.081 4.170 -0.000 0.000 0.291 29 I C 1.425 177.574 176.117 0.053 0.000 1.209 29 I CA 0.399 61.730 61.300 0.053 0.000 1.431 29 I CB 0.773 38.805 38.000 0.052 0.000 1.351 29 I HN 0.123 nan 8.210 nan 0.000 0.585 30 R N 2.739 123.297 120.500 0.097 0.000 2.225 30 R HA 0.160 4.500 4.340 -0.000 0.000 0.194 30 R C -0.343 175.927 176.300 -0.051 0.000 0.957 30 R CA 0.186 56.325 56.100 0.066 0.000 1.042 30 R CB 0.298 30.707 30.300 0.181 0.000 1.004 30 R HN 0.587 nan 8.270 nan 0.000 0.509 31 H N -0.807 118.283 119.070 0.034 0.000 2.667 31 H HA 0.424 4.980 4.556 -0.000 0.000 0.353 31 H C -1.061 174.284 175.328 0.028 0.000 1.072 31 H CA -0.435 55.629 56.048 0.026 0.000 1.214 31 H CB 2.010 31.736 29.762 -0.060 0.000 1.600 31 H HN -0.095 nan 8.280 nan 0.000 0.527 32 I N 4.436 125.106 120.570 0.167 0.000 2.448 32 I HA 0.293 4.462 4.170 -0.000 0.000 0.281 32 I C -0.638 175.570 176.117 0.151 0.000 1.027 32 I CA -0.297 61.084 61.300 0.134 0.000 1.111 32 I CB 1.093 39.158 38.000 0.109 0.000 1.236 32 I HN 0.432 nan 8.210 nan 0.000 0.452 33 I N 6.086 126.726 120.570 0.116 0.000 2.330 33 I HA 0.527 4.696 4.170 -0.000 0.000 0.286 33 I C 0.237 176.454 176.117 0.165 0.000 1.025 33 I CA -0.332 61.051 61.300 0.139 0.000 1.197 33 I CB 1.436 39.500 38.000 0.105 0.000 1.358 33 I HN 0.538 nan 8.210 nan 0.000 0.467 34 A N 4.736 127.648 122.820 0.153 0.000 2.318 34 A HA 0.785 5.105 4.320 -0.000 0.000 0.324 34 A C 0.065 177.694 177.584 0.075 0.000 1.170 34 A CA -0.477 51.620 52.037 0.101 0.000 0.810 34 A CB 1.166 20.212 19.000 0.076 0.000 1.198 34 A HN 0.686 nan 8.150 nan 0.000 0.484 35 T N -0.955 113.596 114.554 -0.005 0.000 2.952 35 T HA 0.871 5.220 4.350 -0.000 0.000 0.286 35 T C -0.275 174.384 174.700 -0.069 0.000 1.024 35 T CA -0.169 61.876 62.100 -0.092 0.000 1.029 35 T CB 1.792 70.453 68.868 -0.345 0.000 1.094 35 T HN 2.037 nan 8.240 nan 0.000 0.515 36 A N 0.881 123.658 122.820 -0.071 0.000 2.517 36 A HA 0.620 4.939 4.320 -0.000 0.000 0.297 36 A C 0.935 178.488 177.584 -0.051 0.000 1.050 36 A CA -0.835 51.175 52.037 -0.045 0.000 0.694 36 A CB 1.558 20.549 19.000 -0.015 0.000 1.277 36 A HN 0.932 nan 8.150 nan 0.000 0.400 37 R N 0.562 121.035 120.500 -0.044 0.000 2.091 37 R HA -0.127 4.213 4.340 -0.000 0.000 0.238 37 R C -0.486 175.801 176.300 -0.021 0.000 1.136 37 R CA 1.834 57.911 56.100 -0.038 0.000 0.959 37 R CB 0.197 30.481 30.300 -0.027 0.000 0.856 37 R HN 0.714 nan 8.270 nan 0.000 0.437 38 D N 0.917 121.309 120.400 -0.013 0.000 2.479 38 D HA 0.005 4.645 4.640 -0.000 0.000 0.247 38 D C 0.853 177.153 176.300 -0.000 0.000 1.119 38 D CA -0.104 53.894 54.000 -0.004 0.000 0.922 38 D CB 1.482 42.281 40.800 -0.001 0.000 1.014 38 D HN -0.012 nan 8.370 nan 0.000 0.510 39 V N 3.854 123.769 119.914 0.003 0.000 2.546 39 V HA -0.244 3.875 4.120 -0.000 0.000 0.254 39 V C 1.635 177.736 176.094 0.011 0.000 1.076 39 V CA 2.039 64.346 62.300 0.010 0.000 1.087 39 V CB 0.055 31.890 31.823 0.019 0.000 0.674 39 V HN 0.458 nan 8.190 nan 0.000 0.470 40 E N -0.163 120.043 120.200 0.009 0.000 2.011 40 E HA -0.203 4.146 4.350 -0.000 0.000 0.191 40 E C 2.181 178.786 176.600 0.007 0.000 0.980 40 E CA 1.141 57.546 56.400 0.009 0.000 0.814 40 E CB -0.311 29.394 29.700 0.008 0.000 0.775 40 E HN 0.471 nan 8.360 nan 0.000 0.454 41 K N 0.735 121.138 120.400 0.006 0.000 2.520 41 K HA -0.065 4.254 4.320 -0.000 0.000 0.197 41 K C 0.304 176.907 176.600 0.006 0.000 1.043 41 K CA 0.518 56.808 56.287 0.006 0.000 0.944 41 K CB 0.031 32.534 32.500 0.005 0.000 0.770 41 K HN 0.031 nan 8.250 nan 0.000 0.480 42 A N 1.184 124.008 122.820 0.006 0.000 3.126 42 A HA 0.086 4.405 4.320 -0.000 0.000 0.268 42 A C 0.962 178.551 177.584 0.008 0.000 1.605 42 A CA -0.250 51.791 52.037 0.007 0.000 1.305 42 A CB -0.349 18.654 19.000 0.006 0.000 1.160 42 A HN 0.416 nan 8.150 nan 0.000 0.609 43 T N -2.230 112.329 114.554 0.007 0.000 2.978 43 T HA -0.051 4.299 4.350 -0.000 0.000 0.262 43 T C 1.369 176.073 174.700 0.007 0.000 1.063 43 T CA 1.041 63.145 62.100 0.007 0.000 1.140 43 T CB -0.263 68.608 68.868 0.005 0.000 0.886 43 T HN 0.594 nan 8.240 nan 0.000 0.470 44 E N 0.510 120.714 120.200 0.007 0.000 2.463 44 E HA -0.015 4.334 4.350 -0.000 0.000 0.201 44 E C 1.760 178.365 176.600 0.007 0.000 1.045 44 E CA 0.349 56.753 56.400 0.006 0.000 0.872 44 E CB -0.154 29.550 29.700 0.006 0.000 0.797 44 E HN 0.602 nan 8.360 nan 0.000 0.538 45 L N -0.066 121.163 121.223 0.009 0.000 2.316 45 L HA 0.061 4.401 4.340 -0.000 0.000 0.207 45 L C 1.499 178.377 176.870 0.013 0.000 1.070 45 L CA 0.451 55.298 54.840 0.013 0.000 0.820 45 L CB 0.138 42.206 42.059 0.016 0.000 0.992 45 L HN -0.076 nan 8.230 nan 0.000 0.466 46 K N -0.054 120.353 120.400 0.011 0.000 2.555 46 K HA -0.032 4.287 4.320 -0.000 0.000 0.193 46 K C 1.730 178.332 176.600 0.003 0.000 1.032 46 K CA 0.928 57.220 56.287 0.008 0.000 1.004 46 K CB -0.036 32.468 32.500 0.007 0.000 0.804 46 K HN 0.401 nan 8.250 nan 0.000 0.496 47 S N 0.294 115.996 115.700 0.003 0.000 2.501 47 S HA 0.082 4.551 4.470 -0.000 0.000 0.220 47 S C 0.777 175.377 174.600 -0.001 0.000 0.997 47 S CA -0.278 57.922 58.200 0.001 0.000 0.919 47 S CB -0.262 62.939 63.200 0.001 0.000 0.778 47 S HN 0.132 nan 8.310 nan 0.000 0.523 48 I N 2.847 123.418 120.570 0.001 0.000 2.505 48 I HA 0.116 4.286 4.170 -0.000 0.000 0.287 48 I C 1.279 177.394 176.117 -0.004 0.000 1.104 48 I CA -0.374 60.926 61.300 0.000 0.000 1.387 48 I CB 0.761 38.764 38.000 0.005 0.000 1.404 48 I HN 0.148 nan 8.210 nan 0.000 0.528 49 K N 3.253 123.648 120.400 -0.007 0.000 1.991 49 K HA -0.145 4.175 4.320 -0.000 0.000 0.212 49 K C 0.659 177.249 176.600 -0.017 0.000 1.049 49 K CA 0.886 57.166 56.287 -0.012 0.000 0.932 49 K CB -0.167 32.326 32.500 -0.011 0.000 0.717 49 K HN 0.629 nan 8.250 nan 0.000 0.441 50 D N 0.815 121.207 120.400 -0.013 0.000 3.360 50 D HA -0.119 4.521 4.640 -0.000 0.000 0.192 50 D C 0.826 177.109 176.300 -0.029 0.000 1.037 50 D CA 0.533 54.523 54.000 -0.016 0.000 0.720 50 D CB 0.601 41.397 40.800 -0.006 0.000 1.140 50 D HN 0.302 nan 8.370 nan 0.000 0.529 51 S N 3.501 119.176 115.700 -0.041 0.000 2.496 51 S HA -0.118 4.352 4.470 -0.000 0.000 0.224 51 S C 1.441 175.984 174.600 -0.094 0.000 0.996 51 S CA 0.140 58.298 58.200 -0.069 0.000 0.927 51 S CB 0.076 63.239 63.200 -0.062 0.000 0.774 51 S HN 0.673 nan 8.310 nan 0.000 0.524 52 R N 1.106 121.575 120.500 -0.050 0.000 2.449 52 R HA 0.423 4.762 4.340 -0.000 0.000 0.262 52 R C -0.026 176.347 176.300 0.123 0.000 1.006 52 R CA -0.162 55.929 56.100 -0.016 0.000 1.104 52 R CB -0.415 29.852 30.300 -0.056 0.000 1.206 52 R HN 0.345 nan 8.270 nan 0.000 0.538 53 V N 1.514 121.480 119.914 0.087 0.000 2.513 53 V HA 0.337 4.457 4.120 -0.000 0.000 0.299 53 V C -1.041 175.158 176.094 0.174 0.000 1.035 53 V CA -0.740 61.669 62.300 0.182 0.000 0.889 53 V CB 1.604 33.476 31.823 0.082 0.000 0.988 53 V HN 0.409 nan 8.190 nan 0.000 0.440 54 H N 4.963 124.070 119.070 0.061 0.000 2.547 54 H HA 0.482 5.037 4.556 -0.000 0.000 0.342 54 H C -1.054 174.322 175.328 0.080 0.000 1.048 54 H CA -0.828 55.262 56.048 0.071 0.000 1.204 54 H CB 2.132 31.950 29.762 0.093 0.000 1.493 54 H HN 0.495 nan 8.280 nan 0.000 0.511 55 V N 6.058 126.069 119.914 0.161 0.000 2.348 55 V HA 0.218 4.337 4.120 -0.000 0.000 0.270 55 V C 0.113 176.283 176.094 0.125 0.000 1.037 55 V CA -0.333 62.037 62.300 0.117 0.000 0.872 55 V CB 0.573 32.435 31.823 0.065 0.000 1.002 55 V HN 0.498 nan 8.190 nan 0.000 0.464 56 L N 7.768 129.077 121.223 0.144 0.000 2.342 56 L HA 0.621 4.961 4.340 -0.000 0.000 0.271 56 L C -2.105 174.806 176.870 0.067 0.000 1.008 56 L CA -1.921 53.013 54.840 0.155 0.000 0.818 56 L CB 2.798 45.038 42.059 0.303 0.000 1.296 56 L HN 0.379 nan 8.230 nan 0.000 0.427 57 P HA 0.300 nan 4.420 nan 0.000 0.282 57 P C -1.188 176.060 177.300 -0.087 0.000 1.286 57 P CA -0.329 62.767 63.100 -0.006 0.000 0.777 57 P CB 1.470 33.182 31.700 0.020 0.000 1.184 58 L N -0.981 120.178 121.223 -0.106 0.000 4.768 58 L HA 0.201 4.541 4.340 -0.000 0.000 0.254 58 L C -1.242 175.557 176.870 -0.119 0.000 1.073 58 L CA 0.159 54.896 54.840 -0.172 0.000 1.079 58 L CB -0.146 41.649 42.059 -0.439 0.000 1.842 58 L HN 0.598 nan 8.230 nan 0.000 0.495 59 T N 1.666 116.176 114.554 -0.074 0.000 3.053 59 T HA 0.421 4.771 4.350 -0.000 0.000 0.363 59 T C 1.497 176.167 174.700 -0.050 0.000 1.239 59 T CA -0.079 61.990 62.100 -0.052 0.000 1.071 59 T CB 0.727 69.578 68.868 -0.028 0.000 1.089 59 T HN 1.431 nan 8.240 nan 0.000 0.527 60 V N 1.318 121.192 119.914 -0.066 0.000 2.428 60 V HA -0.254 3.866 4.120 -0.000 0.000 0.255 60 V C 2.317 178.390 176.094 -0.035 0.000 1.080 60 V CA 2.384 64.652 62.300 -0.054 0.000 1.083 60 V CB -2.041 29.749 31.823 -0.054 0.000 0.665 60 V HN 0.930 nan 8.190 nan 0.000 0.461 61 T N -3.621 110.914 114.554 -0.031 0.000 3.160 61 T HA 0.065 4.415 4.350 -0.000 0.000 0.257 61 T C 0.799 175.487 174.700 -0.020 0.000 1.147 61 T CA 0.547 62.630 62.100 -0.027 0.000 1.064 61 T CB -1.014 67.839 68.868 -0.024 0.000 0.949 61 T HN 0.704 nan 8.240 nan 0.000 0.526 62 C N 2.356 121.646 119.300 -0.016 0.000 2.271 62 C HA 0.449 4.908 4.460 -0.000 0.000 0.323 62 C C 1.243 176.234 174.990 0.001 0.000 1.245 62 C CA -0.865 58.148 59.018 -0.007 0.000 1.548 62 C CB -0.032 27.706 27.740 -0.004 0.000 2.214 62 C HN 0.370 nan 8.230 nan 0.000 0.477 63 D N 2.336 122.737 120.400 0.001 0.000 2.149 63 D HA -0.115 4.524 4.640 -0.000 0.000 0.198 63 D C 1.865 178.178 176.300 0.020 0.000 0.990 63 D CA 1.379 55.384 54.000 0.008 0.000 0.839 63 D CB 0.188 40.989 40.800 0.002 0.000 0.948 63 D HN 0.635 nan 8.370 nan 0.000 0.460 64 K N 0.365 120.776 120.400 0.018 0.000 2.097 64 K HA -0.023 4.297 4.320 -0.000 0.000 0.205 64 K C 2.169 178.794 176.600 0.041 0.000 1.050 64 K CA 0.378 56.681 56.287 0.026 0.000 0.938 64 K CB -0.408 32.104 32.500 0.019 0.000 0.718 64 K HN 0.017 nan 8.250 nan 0.000 0.442 65 S N 1.092 116.813 115.700 0.036 0.000 2.382 65 S HA -0.062 4.408 4.470 -0.000 0.000 0.228 65 S C 2.038 176.692 174.600 0.089 0.000 1.027 65 S CA 0.739 58.966 58.200 0.046 0.000 0.991 65 S CB -0.070 63.138 63.200 0.012 0.000 0.823 65 S HN 0.183 nan 8.310 nan 0.000 0.469 66 L N 1.105 122.375 121.223 0.079 0.000 1.988 66 L HA -0.113 4.227 4.340 -0.000 0.000 0.207 66 L C 2.510 179.476 176.870 0.161 0.000 1.071 66 L CA 1.702 56.622 54.840 0.133 0.000 0.744 66 L CB -0.749 41.359 42.059 0.081 0.000 0.893 66 L HN 0.301 nan 8.230 nan 0.000 0.433 67 D N -0.488 119.966 120.400 0.090 0.000 2.127 67 D HA -0.207 4.432 4.640 -0.000 0.000 0.190 67 D C 2.004 178.345 176.300 0.068 0.000 1.000 67 D CA 2.083 56.121 54.000 0.062 0.000 0.839 67 D CB -0.368 40.455 40.800 0.038 0.000 0.955 67 D HN 0.266 nan 8.370 nan 0.000 0.446 68 T N 0.989 115.591 114.554 0.080 0.000 2.570 68 T HA -0.232 4.118 4.350 -0.000 0.000 0.266 68 T C 1.681 176.449 174.700 0.113 0.000 1.071 68 T CA 1.470 63.619 62.100 0.081 0.000 1.172 68 T CB -0.702 68.218 68.868 0.086 0.000 0.864 68 T HN 0.119 nan 8.240 nan 0.000 0.421 69 F N 2.031 121.986 119.950 0.009 0.000 2.045 69 F HA -0.239 4.287 4.527 -0.001 0.000 0.297 69 F C 2.326 178.129 175.800 0.005 0.000 1.114 69 F CA 1.311 59.317 58.000 0.010 0.000 1.207 69 F CB -1.109 37.898 39.000 0.011 0.000 0.964 69 F HN -0.026 nan 8.300 nan 0.000 0.486 70 V N -0.040 119.769 119.914 -0.176 0.000 2.317 70 V HA -0.380 3.740 4.120 -0.000 0.000 0.251 70 V C 2.531 178.488 176.094 -0.229 0.000 1.065 70 V CA 2.213 64.341 62.300 -0.287 0.000 1.049 70 V CB -1.231 30.544 31.823 -0.081 0.000 0.651 70 V HN 0.462 nan 8.190 nan 0.000 0.450 71 S N -0.771 114.858 115.700 -0.119 0.000 2.370 71 S HA -0.224 4.245 4.470 -0.000 0.000 0.226 71 S C 1.973 176.508 174.600 -0.109 0.000 1.033 71 S CA 1.572 59.721 58.200 -0.085 0.000 1.011 71 S CB -0.268 62.911 63.200 -0.035 0.000 0.852 71 S HN 0.619 nan 8.310 nan 0.000 0.457 72 K N 0.693 121.018 120.400 -0.126 0.000 2.103 72 K HA -0.002 4.317 4.320 -0.000 0.000 0.204 72 K C 2.048 178.531 176.600 -0.195 0.000 1.052 72 K CA 1.053 57.275 56.287 -0.108 0.000 0.945 72 K CB -0.320 32.157 32.500 -0.038 0.000 0.722 72 K HN 0.197 nan 8.250 nan 0.000 0.443 73 V N 0.766 120.455 119.914 -0.374 0.000 2.343 73 V HA -0.189 3.931 4.120 -0.000 0.000 0.247 73 V C 2.344 178.287 176.094 -0.252 0.000 1.051 73 V CA 2.206 64.266 62.300 -0.400 0.000 1.036 73 V CB -0.991 30.470 31.823 -0.604 0.000 0.654 73 V HN 0.467 nan 8.190 nan 0.000 0.451 74 G N -0.912 107.765 108.800 -0.205 0.000 2.448 74 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.218 74 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.218 74 G C 1.548 176.381 174.900 -0.112 0.000 1.135 74 G CA 0.666 45.681 45.100 -0.141 0.000 0.784 74 G HN 0.513 nan 8.290 nan 0.000 0.543 75 E N 0.574 120.713 120.200 -0.102 0.000 2.046 75 E HA -0.101 4.249 4.350 -0.000 0.000 0.190 75 E C 2.493 179.057 176.600 -0.059 0.000 0.982 75 E CA 0.574 56.939 56.400 -0.059 0.000 0.800 75 E CB -0.091 29.588 29.700 -0.035 0.000 0.756 75 E HN 0.262 nan 8.360 nan 0.000 0.449 76 I N 1.697 122.213 120.570 -0.090 0.000 2.099 76 I HA -0.235 3.935 4.170 -0.000 0.000 0.239 76 I C 2.853 178.846 176.117 -0.206 0.000 1.066 76 I CA 1.290 62.531 61.300 -0.099 0.000 1.324 76 I CB -1.735 36.146 38.000 -0.197 0.000 1.037 76 I HN 0.132 nan 8.210 nan 0.000 0.401 77 V N -0.815 118.930 119.914 -0.281 0.000 2.488 77 V HA 0.301 4.421 4.120 -0.000 0.000 0.246 77 V C 1.536 177.511 176.094 -0.199 0.000 1.046 77 V CA 0.699 62.794 62.300 -0.342 0.000 1.053 77 V CB -1.445 30.212 31.823 -0.276 0.000 0.679 77 V HN 0.577 nan 8.190 nan 0.000 0.458 78 G N 0.372 109.094 108.800 -0.130 0.000 2.601 78 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.261 78 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.261 78 G C 0.711 175.568 174.900 -0.072 0.000 1.289 78 G CA 0.668 45.719 45.100 -0.081 0.000 0.920 78 G HN 0.804 nan 8.290 nan 0.000 0.571 79 S N 0.168 115.839 115.700 -0.048 0.000 2.409 79 S HA -0.212 4.258 4.470 -0.000 0.000 0.237 79 S C 1.744 176.318 174.600 -0.042 0.000 1.060 79 S CA 2.145 60.322 58.200 -0.038 0.000 1.052 79 S CB -0.388 62.797 63.200 -0.024 0.000 0.871 79 S HN 0.627 nan 8.310 nan 0.000 0.465 80 D N 0.827 121.196 120.400 -0.053 0.000 2.263 80 D HA 0.120 4.759 4.640 -0.000 0.000 0.208 80 D C 1.354 177.619 176.300 -0.059 0.000 0.971 80 D CA 0.986 54.955 54.000 -0.051 0.000 0.867 80 D CB -0.378 40.387 40.800 -0.058 0.000 0.929 80 D HN 0.502 nan 8.370 nan 0.000 0.492 81 G N 0.700 109.455 108.800 -0.076 0.000 2.855 81 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.352 81 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.352 81 G C -0.579 174.269 174.900 -0.086 0.000 1.415 81 G CA -0.451 44.605 45.100 -0.073 0.000 0.871 81 G HN 0.306 nan 8.290 nan 0.000 0.543 82 L N 0.608 121.789 121.223 -0.071 0.000 2.264 82 L HA 0.523 4.863 4.340 -0.000 0.000 0.289 82 L C 1.496 178.349 176.870 -0.029 0.000 1.044 82 L CA -0.238 54.565 54.840 -0.062 0.000 0.807 82 L CB 1.349 43.374 42.059 -0.057 0.000 1.192 82 L HN 0.654 nan 8.230 nan 0.000 0.425 83 S N 5.024 120.714 115.700 -0.016 0.000 2.425 83 S HA 0.195 4.665 4.470 -0.000 0.000 0.225 83 S C 0.231 174.844 174.600 0.022 0.000 1.024 83 S CA 0.338 58.541 58.200 0.006 0.000 0.951 83 S CB 0.139 63.348 63.200 0.016 0.000 0.796 83 S HN 0.527 nan 8.310 nan 0.000 0.498 84 L N 2.043 123.286 121.223 0.033 0.000 2.528 84 L HA 0.480 4.820 4.340 -0.000 0.000 0.267 84 L C -1.982 174.927 176.870 0.065 0.000 0.961 84 L CA -0.701 54.170 54.840 0.052 0.000 0.866 84 L CB 1.790 43.898 42.059 0.082 0.000 1.248 84 L HN 0.126 nan 8.230 nan 0.000 0.404 85 L N 6.760 128.019 121.223 0.060 0.000 2.272 85 L HA 0.556 4.896 4.340 -0.000 0.000 0.289 85 L C -0.843 176.084 176.870 0.094 0.000 1.032 85 L CA 0.110 55.000 54.840 0.084 0.000 0.810 85 L CB 1.398 43.504 42.059 0.079 0.000 1.205 85 L HN 0.574 nan 8.230 nan 0.000 0.422 86 I N 5.269 125.913 120.570 0.123 0.000 2.464 86 I HA 0.398 4.567 4.170 -0.000 0.000 0.277 86 I C -0.723 175.474 176.117 0.132 0.000 1.040 86 I CA -0.407 60.978 61.300 0.142 0.000 1.153 86 I CB 0.471 38.597 38.000 0.210 0.000 1.274 86 I HN 0.580 nan 8.210 nan 0.000 0.469 87 N N 6.047 124.820 118.700 0.122 0.000 2.406 87 N HA 0.004 4.744 4.740 -0.000 0.000 0.269 87 N C 0.223 175.792 175.510 0.098 0.000 1.210 87 N CA 0.250 53.362 53.050 0.103 0.000 0.966 87 N CB 0.710 39.260 38.487 0.105 0.000 1.293 87 N HN 0.725 nan 8.380 nan 0.000 0.491 88 N N 1.746 120.495 118.700 0.082 0.000 2.510 88 N HA 0.034 4.774 4.740 -0.000 0.000 0.186 88 N C 0.167 175.709 175.510 0.052 0.000 1.051 88 N CA -0.190 52.907 53.050 0.077 0.000 0.877 88 N CB 0.235 38.767 38.487 0.075 0.000 1.183 88 N HN 0.442 nan 8.380 nan 0.000 0.443 89 A N -0.150 122.687 122.820 0.029 0.000 2.584 89 A HA 0.482 4.802 4.320 -0.000 0.000 0.239 89 A C 0.633 178.230 177.584 0.023 0.000 1.043 89 A CA 0.857 52.902 52.037 0.012 0.000 0.756 89 A CB -0.727 18.262 19.000 -0.020 0.000 0.963 89 A HN 0.543 nan 8.150 nan 0.000 0.511 90 G N -0.632 108.188 108.800 0.034 0.000 2.387 90 G HA2 0.564 4.523 3.960 -0.000 0.000 0.294 90 G HA3 0.564 4.523 3.960 -0.000 0.000 0.294 90 G C -1.507 173.440 174.900 0.078 0.000 1.509 90 G CA 0.183 45.314 45.100 0.053 0.000 0.806 90 G HN 1.718 nan 8.290 nan 0.000 0.546 91 V N 0.104 120.082 119.914 0.107 0.000 3.114 91 V HA 0.840 4.960 4.120 -0.000 0.000 0.308 91 V C -1.191 175.012 176.094 0.183 0.000 1.168 91 V CA -0.986 61.379 62.300 0.109 0.000 1.015 91 V CB 2.119 33.981 31.823 0.065 0.000 1.050 91 V HN 0.987 nan 8.190 nan 0.000 0.433 92 L N 5.566 126.847 121.223 0.097 0.000 2.337 92 L HA 0.512 4.852 4.340 -0.000 0.000 0.269 92 L C -0.908 175.992 176.870 0.050 0.000 1.018 92 L CA -0.528 54.333 54.840 0.035 0.000 0.876 92 L CB 0.881 42.756 42.059 -0.307 0.000 1.236 92 L HN 0.510 nan 8.230 nan 0.000 0.436 93 L N 1.860 123.150 121.223 0.111 0.000 2.479 93 L HA 0.413 4.753 4.340 -0.000 0.000 0.249 93 L C 0.540 177.487 176.870 0.127 0.000 1.178 93 L CA -0.176 54.726 54.840 0.103 0.000 0.811 93 L CB 1.220 43.339 42.059 0.101 0.000 1.187 93 L HN 0.536 nan 8.230 nan 0.000 0.480 94 S N 0.331 116.114 115.700 0.140 0.000 2.442 94 S HA 0.613 5.082 4.470 -0.000 0.000 0.297 94 S C -1.107 173.643 174.600 0.250 0.000 1.131 94 S CA -0.309 57.981 58.200 0.150 0.000 1.092 94 S CB 0.866 64.123 63.200 0.096 0.000 0.998 94 S HN 0.458 nan 8.310 nan 0.000 0.478 95 Y N 0.764 121.104 120.300 0.067 0.000 2.294 95 Y HA 0.465 5.015 4.550 -0.001 0.000 0.316 95 Y C -0.163 175.777 175.900 0.067 0.000 1.265 95 Y CA -0.425 57.711 58.100 0.059 0.000 1.149 95 Y CB 0.703 39.198 38.460 0.059 0.000 1.293 95 Y HN 0.842 nan 8.280 nan 0.000 0.416 96 G N 0.765 109.407 108.800 -0.264 0.000 2.816 96 G HA2 0.409 4.369 3.960 -0.000 0.000 0.288 96 G HA3 0.409 4.369 3.960 -0.000 0.000 0.288 96 G C 0.623 175.411 174.900 -0.185 0.000 1.334 96 G CA -0.212 44.823 45.100 -0.108 0.000 0.978 96 G HN 0.735 nan 8.290 nan 0.000 0.493 97 T N -1.809 112.711 114.554 -0.057 0.000 2.881 97 T HA -0.117 4.233 4.350 -0.000 0.000 0.270 97 T C 1.405 176.051 174.700 -0.089 0.000 1.068 97 T CA 1.580 63.656 62.100 -0.040 0.000 1.131 97 T CB -0.127 68.744 68.868 0.004 0.000 0.871 97 T HN 0.313 nan 8.240 nan 0.000 0.479 98 N N 0.940 119.573 118.700 -0.112 0.000 2.392 98 N HA 0.068 4.808 4.740 -0.000 0.000 0.177 98 N C 0.467 175.883 175.510 -0.156 0.000 1.066 98 N CA 0.280 53.266 53.050 -0.106 0.000 0.895 98 N CB -0.172 38.269 38.487 -0.077 0.000 0.988 98 N HN 0.421 nan 8.380 nan 0.000 0.457 99 T N 1.444 115.833 114.554 -0.274 0.000 2.856 99 T HA -0.081 4.268 4.350 -0.000 0.000 0.329 99 T C 0.559 175.112 174.700 -0.246 0.000 1.094 99 T CA 0.127 62.027 62.100 -0.333 0.000 1.112 99 T CB 0.975 69.424 68.868 -0.698 0.000 1.009 99 T HN 0.150 nan 8.240 nan 0.000 0.550 100 E N 2.511 122.630 120.200 -0.135 0.000 2.324 100 E HA 0.098 4.448 4.350 -0.000 0.000 0.271 100 E C -2.243 174.365 176.600 0.013 0.000 1.028 100 E CA -1.808 54.564 56.400 -0.047 0.000 0.890 100 E CB 0.302 29.994 29.700 -0.012 0.000 1.004 100 E HN 0.215 nan 8.360 nan 0.000 0.431 101 P HA -0.116 nan 4.420 nan 0.000 0.251 101 P C -1.181 176.229 177.300 0.183 0.000 1.154 101 P CA 0.649 63.842 63.100 0.154 0.000 0.805 101 P CB 0.137 31.892 31.700 0.092 0.000 0.759 102 N N 2.991 121.880 118.700 0.315 0.000 2.540 102 N HA 0.121 4.860 4.740 -0.000 0.000 0.275 102 N C 0.813 176.345 175.510 0.035 0.000 1.053 102 N CA -0.494 52.667 53.050 0.185 0.000 0.876 102 N CB 1.048 39.684 38.487 0.249 0.000 1.284 102 N HN 0.157 nan 8.380 nan 0.000 0.518 103 R N 2.967 123.468 120.500 0.002 0.000 2.066 103 R HA -0.033 4.307 4.340 -0.000 0.000 0.232 103 R C 1.636 177.883 176.300 -0.087 0.000 1.131 103 R CA 1.800 57.867 56.100 -0.055 0.000 0.955 103 R CB -0.091 30.193 30.300 -0.025 0.000 0.851 103 R HN 0.578 nan 8.270 nan 0.000 0.432 104 A N 0.387 123.178 122.820 -0.048 0.000 1.986 104 A HA -0.133 4.186 4.320 -0.000 0.000 0.220 104 A C 2.207 179.749 177.584 -0.069 0.000 1.171 104 A CA 1.771 53.781 52.037 -0.045 0.000 0.640 104 A CB -0.463 18.527 19.000 -0.016 0.000 0.811 104 A HN 0.260 nan 8.150 nan 0.000 0.451 105 V N -0.071 119.786 119.914 -0.095 0.000 2.379 105 V HA -0.199 3.921 4.120 -0.000 0.000 0.245 105 V C 2.378 178.334 176.094 -0.229 0.000 1.044 105 V CA 1.719 63.948 62.300 -0.118 0.000 1.036 105 V CB -0.596 31.198 31.823 -0.049 0.000 0.664 105 V HN 0.572 nan 8.190 nan 0.000 0.453 106 I N 0.696 121.032 120.570 -0.390 0.000 2.202 106 I HA -0.217 3.952 4.170 -0.000 0.000 0.242 106 I C 2.741 178.750 176.117 -0.180 0.000 1.091 106 I CA 1.493 62.577 61.300 -0.360 0.000 1.368 106 I CB -0.672 37.091 38.000 -0.395 0.000 1.058 106 I HN 0.283 nan 8.210 nan 0.000 0.410 107 A N 0.223 122.959 122.820 -0.141 0.000 1.908 107 A HA -0.282 4.037 4.320 -0.000 0.000 0.218 107 A C 2.338 179.878 177.584 -0.074 0.000 1.181 107 A CA 2.049 54.031 52.037 -0.092 0.000 0.627 107 A CB -0.653 18.303 19.000 -0.072 0.000 0.818 107 A HN 0.493 nan 8.150 nan 0.000 0.445 108 E N -1.144 119.015 120.200 -0.068 0.000 2.107 108 E HA -0.227 4.123 4.350 -0.000 0.000 0.191 108 E C 2.216 178.794 176.600 -0.037 0.000 0.982 108 E CA 1.203 57.577 56.400 -0.044 0.000 0.809 108 E CB -0.076 29.607 29.700 -0.028 0.000 0.756 108 E HN 0.609 nan 8.360 nan 0.000 0.459 109 Q N 0.771 120.545 119.800 -0.043 0.000 2.096 109 Q HA -0.140 4.200 4.340 -0.000 0.000 0.204 109 Q C 2.014 177.993 176.000 -0.036 0.000 0.982 109 Q CA 1.505 57.299 55.803 -0.014 0.000 0.850 109 Q CB -0.198 28.536 28.738 -0.007 0.000 0.901 109 Q HN 0.342 nan 8.270 nan 0.000 0.422 110 L N -0.317 120.867 121.223 -0.064 0.000 2.095 110 L HA -0.044 4.296 4.340 -0.000 0.000 0.204 110 L C 2.125 178.949 176.870 -0.077 0.000 1.080 110 L CA 1.181 55.974 54.840 -0.078 0.000 0.759 110 L CB -0.498 41.510 42.059 -0.085 0.000 0.914 110 L HN 0.235 nan 8.230 nan 0.000 0.439 111 D N -0.043 120.317 120.400 -0.067 0.000 2.149 111 D HA -0.163 4.477 4.640 -0.000 0.000 0.198 111 D C 2.012 178.276 176.300 -0.059 0.000 0.990 111 D CA 1.158 55.120 54.000 -0.063 0.000 0.839 111 D CB 0.225 40.994 40.800 -0.051 0.000 0.948 111 D HN 0.020 nan 8.370 nan 0.000 0.460 112 V N 0.303 120.190 119.914 -0.045 0.000 2.256 112 V HA -0.126 3.994 4.120 -0.000 0.000 0.240 112 V C 2.026 178.094 176.094 -0.044 0.000 1.036 112 V CA 1.685 63.965 62.300 -0.034 0.000 1.008 112 V CB -0.690 31.128 31.823 -0.009 0.000 0.648 112 V HN 0.180 nan 8.190 nan 0.000 0.453 113 N N -0.342 118.331 118.700 -0.045 0.000 2.381 113 N HA -0.072 4.667 4.740 -0.000 0.000 0.182 113 N C 1.527 176.975 175.510 -0.102 0.000 1.025 113 N CA 1.488 54.498 53.050 -0.067 0.000 0.888 113 N CB -0.036 38.398 38.487 -0.088 0.000 0.965 113 N HN 0.537 nan 8.380 nan 0.000 0.438 114 T N -1.729 112.756 114.554 -0.117 0.000 3.478 114 T HA -0.023 4.327 4.350 -0.000 0.000 0.223 114 T C 1.859 176.438 174.700 -0.201 0.000 0.958 114 T CA 0.966 62.972 62.100 -0.157 0.000 1.324 114 T CB -0.827 67.953 68.868 -0.146 0.000 1.262 114 T HN 0.214 nan 8.240 nan 0.000 0.379 115 T N 1.425 115.877 114.554 -0.169 0.000 2.803 115 T HA -0.109 4.241 4.350 -0.000 0.000 0.269 115 T C 2.105 176.710 174.700 -0.159 0.000 1.052 115 T CA 2.118 64.112 62.100 -0.177 0.000 1.136 115 T CB -0.645 68.148 68.868 -0.125 0.000 0.864 115 T HN 0.168 nan 8.240 nan 0.000 0.467 116 S N -0.064 115.566 115.700 -0.117 0.000 2.402 116 S HA 0.016 4.485 4.470 -0.000 0.000 0.229 116 S C 2.004 176.552 174.600 -0.086 0.000 1.021 116 S CA 1.070 59.219 58.200 -0.085 0.000 0.974 116 S CB -0.255 62.909 63.200 -0.059 0.000 0.800 116 S HN 0.473 nan 8.310 nan 0.000 0.484 117 V N 0.783 120.631 119.914 -0.111 0.000 2.488 117 V HA -0.041 4.079 4.120 -0.000 0.000 0.246 117 V C 2.232 178.238 176.094 -0.146 0.000 1.046 117 V CA 0.986 63.241 62.300 -0.074 0.000 1.053 117 V CB -0.558 31.243 31.823 -0.037 0.000 0.679 117 V HN 0.301 nan 8.190 nan 0.000 0.458 118 V N -0.237 119.426 119.914 -0.417 0.000 2.295 118 V HA -0.247 3.872 4.120 -0.000 0.000 0.246 118 V C 2.439 178.378 176.094 -0.259 0.000 1.049 118 V CA 1.756 63.604 62.300 -0.752 0.000 1.024 118 V CB -0.542 30.718 31.823 -0.939 0.000 0.648 118 V HN 0.377 nan 8.190 nan 0.000 0.447 119 L N -0.797 120.321 121.223 -0.174 0.000 1.989 119 L HA -0.173 4.167 4.340 -0.000 0.000 0.211 119 L C 2.271 179.138 176.870 -0.005 0.000 1.071 119 L CA 1.905 56.702 54.840 -0.072 0.000 0.749 119 L CB -1.106 40.916 42.059 -0.063 0.000 0.890 119 L HN 0.324 nan 8.230 nan 0.000 0.431 120 L N -1.311 119.920 121.223 0.013 0.000 2.046 120 L HA -0.197 4.143 4.340 -0.000 0.000 0.208 120 L C 2.321 179.252 176.870 0.101 0.000 1.077 120 L CA 2.108 56.993 54.840 0.076 0.000 0.747 120 L CB -0.895 41.217 42.059 0.088 0.000 0.896 120 L HN 0.289 nan 8.230 nan 0.000 0.432 121 T N -0.931 113.693 114.554 0.117 0.000 2.737 121 T HA -0.205 4.145 4.350 -0.000 0.000 0.265 121 T C 1.830 176.618 174.700 0.146 0.000 1.038 121 T CA 1.666 63.870 62.100 0.173 0.000 1.144 121 T CB -0.192 68.878 68.868 0.337 0.000 0.866 121 T HN 0.454 nan 8.240 nan 0.000 0.434 122 Q N 0.735 120.616 119.800 0.134 0.000 2.061 122 Q HA -0.113 4.227 4.340 -0.000 0.000 0.204 122 Q C 2.374 178.410 176.000 0.059 0.000 0.984 122 Q CA 1.371 57.233 55.803 0.098 0.000 0.846 122 Q CB -0.151 28.627 28.738 0.066 0.000 0.902 122 Q HN 0.478 nan 8.270 nan 0.000 0.421 123 K N 0.254 120.684 120.400 0.050 0.000 2.209 123 K HA -0.091 4.229 4.320 -0.000 0.000 0.204 123 K C 1.680 178.295 176.600 0.025 0.000 1.048 123 K CA 0.793 57.101 56.287 0.034 0.000 0.940 123 K CB 0.041 32.565 32.500 0.041 0.000 0.729 123 K HN 0.201 nan 8.250 nan 0.000 0.451 124 L N 0.964 122.210 121.223 0.039 0.000 2.591 124 L HA 0.041 4.381 4.340 -0.000 0.000 0.228 124 L C 1.713 178.591 176.870 0.015 0.000 1.133 124 L CA -0.078 54.773 54.840 0.018 0.000 0.880 124 L CB -0.137 41.944 42.059 0.037 0.000 1.033 124 L HN 0.166 nan 8.230 nan 0.000 0.450 125 L N 0.858 122.096 121.223 0.026 0.000 2.013 125 L HA -0.174 4.166 4.340 -0.000 0.000 0.212 125 L C 0.026 176.898 176.870 0.002 0.000 1.073 125 L CA 1.743 56.595 54.840 0.019 0.000 0.753 125 L CB -1.806 40.269 42.059 0.026 0.000 0.890 125 L HN 0.266 nan 8.230 nan 0.000 0.432 126 P HA -0.218 nan 4.420 nan 0.000 0.214 126 P C 1.923 179.210 177.300 -0.020 0.000 1.163 126 P CA 1.715 64.808 63.100 -0.012 0.000 0.889 126 P CB -0.036 31.655 31.700 -0.015 0.000 0.790 127 L N -1.399 119.806 121.223 -0.029 0.000 2.131 127 L HA -0.132 4.208 4.340 -0.000 0.000 0.210 127 L C 2.849 179.699 176.870 -0.032 0.000 1.092 127 L CA 1.143 55.959 54.840 -0.041 0.000 0.759 127 L CB -0.794 41.228 42.059 -0.062 0.000 0.903 127 L HN -0.068 nan 8.230 nan 0.000 0.435 128 L N -0.628 120.584 121.223 -0.019 0.000 2.109 128 L HA -0.159 4.180 4.340 -0.000 0.000 0.207 128 L C 2.569 179.432 176.870 -0.012 0.000 1.086 128 L CA 1.100 55.933 54.840 -0.012 0.000 0.760 128 L CB -0.307 41.751 42.059 -0.002 0.000 0.910 128 L HN 0.152 nan 8.230 nan 0.000 0.437 129 K N -0.305 120.088 120.400 -0.011 0.000 2.057 129 K HA -0.171 4.149 4.320 -0.000 0.000 0.206 129 K C 1.982 178.574 176.600 -0.013 0.000 1.050 129 K CA 1.157 57.437 56.287 -0.011 0.000 0.935 129 K CB -0.217 32.277 32.500 -0.010 0.000 0.715 129 K HN 0.215 nan 8.250 nan 0.000 0.439 130 N N 1.347 120.037 118.700 -0.017 0.000 2.013 130 N HA -0.181 4.559 4.740 -0.000 0.000 0.195 130 N C 1.764 177.263 175.510 -0.018 0.000 1.051 130 N CA 1.887 54.926 53.050 -0.019 0.000 0.851 130 N CB -0.248 38.223 38.487 -0.027 0.000 1.044 130 N HN 0.155 nan 8.380 nan 0.000 0.422 131 A N 0.720 123.527 122.820 -0.022 0.000 1.997 131 A HA -0.106 4.214 4.320 -0.000 0.000 0.221 131 A C 2.375 179.953 177.584 -0.010 0.000 1.172 131 A CA 2.348 54.374 52.037 -0.019 0.000 0.645 131 A CB -0.968 18.019 19.000 -0.021 0.000 0.813 131 A HN 0.513 nan 8.150 nan 0.000 0.454 132 A N 0.051 122.866 122.820 -0.008 0.000 1.969 132 A HA -0.014 4.306 4.320 -0.000 0.000 0.218 132 A C 2.363 179.944 177.584 -0.004 0.000 1.169 132 A CA 1.955 53.989 52.037 -0.005 0.000 0.635 132 A CB -0.775 18.222 19.000 -0.005 0.000 0.810 132 A HN 1.048 nan 8.150 nan 0.000 0.445 133 S N -0.754 114.942 115.700 -0.007 0.000 2.561 133 S HA 0.013 4.483 4.470 -0.000 0.000 0.225 133 S C 1.360 175.957 174.600 -0.005 0.000 0.977 133 S CA 0.563 58.759 58.200 -0.006 0.000 0.926 133 S CB -0.096 63.100 63.200 -0.008 0.000 0.769 133 S HN 0.374 nan 8.310 nan 0.000 0.533 134 K N 1.404 121.801 120.400 -0.005 0.000 2.574 134 K HA 0.206 4.525 4.320 -0.000 0.000 0.193 134 K C 0.416 177.016 176.600 -0.000 0.000 1.035 134 K CA 0.571 56.856 56.287 -0.003 0.000 0.982 134 K CB -0.091 32.407 32.500 -0.003 0.000 0.795 134 K HN 0.700 nan 8.250 nan 0.000 0.491 135 E N -0.329 119.871 120.200 0.000 0.000 2.393 135 E HA 0.337 4.687 4.350 -0.000 0.000 0.265 135 E C -0.642 175.959 176.600 0.001 0.000 0.941 135 E CA -0.752 55.649 56.400 0.002 0.000 0.801 135 E CB 1.959 31.662 29.700 0.004 0.000 1.313 135 E HN -0.005 nan 8.360 nan 0.000 0.435 136 S N -0.814 114.887 115.700 0.001 0.000 2.627 136 S HA 0.891 5.361 4.470 -0.000 0.000 0.283 136 S C 0.190 174.790 174.600 0.000 0.000 1.127 136 S CA -0.163 58.037 58.200 0.000 0.000 0.863 136 S CB 1.935 65.135 63.200 -0.000 0.000 1.121 136 S HN 1.038 nan 8.310 nan 0.000 0.479 137 G N 0.997 109.797 108.800 -0.001 0.000 2.548 137 G HA2 -0.097 3.863 3.960 -0.000 0.000 0.208 137 G HA3 -0.097 3.863 3.960 -0.000 0.000 0.208 137 G C -0.286 174.614 174.900 -0.001 0.000 1.308 137 G CA 0.241 45.341 45.100 -0.001 0.000 0.924 137 G HN 0.681 nan 8.290 nan 0.000 0.540 138 D N 0.921 121.320 120.400 -0.001 0.000 2.106 138 D HA 0.044 4.683 4.640 -0.000 0.000 0.203 138 D C 1.316 177.616 176.300 0.000 0.000 0.977 138 D CA 1.585 55.584 54.000 -0.002 0.000 0.844 138 D CB -0.315 40.483 40.800 -0.003 0.000 1.002 138 D HN 0.754 nan 8.370 nan 0.000 0.461 139 Q N 0.999 120.800 119.800 0.002 0.000 3.464 139 Q HA -0.064 4.276 4.340 -0.000 0.000 0.397 139 Q C -0.848 175.157 176.000 0.009 0.000 1.094 139 Q CA 0.509 56.315 55.803 0.006 0.000 1.107 139 Q CB -0.204 28.539 28.738 0.008 0.000 1.235 139 Q HN 0.104 nan 8.270 nan 0.000 0.547 140 L N 2.597 123.828 121.223 0.014 0.000 2.376 140 L HA 0.752 5.092 4.340 -0.000 0.000 0.275 140 L C -0.703 176.188 176.870 0.036 0.000 0.987 140 L CA 0.427 55.279 54.840 0.021 0.000 0.828 140 L CB 1.964 44.035 42.059 0.020 0.000 1.249 140 L HN 1.021 nan 8.230 nan 0.000 0.409 141 S N 1.383 117.105 115.700 0.036 0.000 2.587 141 S HA 0.363 4.833 4.470 -0.000 0.000 0.269 141 S C 0.679 175.303 174.600 0.040 0.000 1.154 141 S CA -0.180 58.048 58.200 0.048 0.000 0.824 141 S CB 1.009 64.236 63.200 0.046 0.000 1.118 141 S HN 0.732 nan 8.310 nan 0.000 0.462 142 V N 0.281 120.223 119.914 0.047 0.000 2.720 142 V HA -0.036 4.083 4.120 -0.000 0.000 0.256 142 V C 2.139 178.262 176.094 0.048 0.000 1.082 142 V CA 2.229 64.555 62.300 0.044 0.000 1.101 142 V CB -1.633 30.229 31.823 0.065 0.000 0.693 142 V HN 1.157 nan 8.190 nan 0.000 0.479 143 S N 0.084 115.811 115.700 0.046 0.000 2.428 143 S HA -0.100 4.370 4.470 -0.000 0.000 0.230 143 S C 2.068 176.686 174.600 0.029 0.000 1.014 143 S CA 1.165 59.389 58.200 0.040 0.000 0.957 143 S CB -0.378 62.844 63.200 0.037 0.000 0.784 143 S HN 0.728 nan 8.310 nan 0.000 0.499 144 R N 1.949 122.464 120.500 0.025 0.000 2.041 144 R HA 0.462 4.802 4.340 -0.000 0.000 0.221 144 R C -0.092 176.215 176.300 0.012 0.000 1.196 144 R CA 1.088 57.198 56.100 0.016 0.000 0.969 144 R CB 0.080 30.389 30.300 0.015 0.000 0.858 144 R HN 0.419 nan 8.270 nan 0.000 0.444 145 A N -0.026 122.802 122.820 0.013 0.000 2.521 145 A HA 0.637 4.957 4.320 -0.000 0.000 0.298 145 A C -1.643 175.945 177.584 0.007 0.000 1.044 145 A CA -0.256 51.786 52.037 0.008 0.000 0.911 145 A CB 1.229 20.229 19.000 0.001 0.000 1.376 145 A HN 0.466 nan 8.150 nan 0.000 0.392 146 A N 1.033 123.858 122.820 0.008 0.000 2.572 146 A HA 0.833 5.153 4.320 -0.000 0.000 0.295 146 A C -1.365 176.218 177.584 -0.001 0.000 1.072 146 A CA -0.568 51.468 52.037 -0.002 0.000 0.691 146 A CB 1.725 20.720 19.000 -0.009 0.000 1.291 146 A HN 1.609 nan 8.150 nan 0.000 0.404 147 V N 3.378 123.285 119.914 -0.011 0.000 2.325 147 V HA 0.315 4.434 4.120 -0.000 0.000 0.280 147 V C -0.804 175.288 176.094 -0.003 0.000 1.016 147 V CA -0.318 61.983 62.300 0.002 0.000 0.818 147 V CB 0.989 32.805 31.823 -0.011 0.000 1.019 147 V HN 0.670 nan 8.190 nan 0.000 0.434 148 I N 3.831 124.401 120.570 -0.000 0.000 2.304 148 I HA 0.360 4.530 4.170 -0.000 0.000 0.291 148 I C 0.512 176.687 176.117 0.096 0.000 1.018 148 I CA 0.179 61.481 61.300 0.003 0.000 1.260 148 I CB 1.423 39.289 38.000 -0.222 0.000 1.390 148 I HN 0.415 nan 8.210 nan 0.000 0.475 149 T N 7.214 121.847 114.554 0.131 0.000 2.771 149 T HA 0.454 4.803 4.350 -0.000 0.000 0.281 149 T C 0.241 175.051 174.700 0.184 0.000 0.982 149 T CA -0.369 61.812 62.100 0.136 0.000 0.978 149 T CB 1.110 70.036 68.868 0.096 0.000 0.930 149 T HN 0.161 nan 8.240 nan 0.000 0.447 150 I N 3.573 124.245 120.570 0.170 0.000 2.406 150 I HA 0.181 4.350 4.170 -0.000 0.000 0.293 150 I C 0.933 177.118 176.117 0.113 0.000 1.101 150 I CA 0.590 62.002 61.300 0.185 0.000 1.334 150 I CB 0.220 38.309 38.000 0.149 0.000 1.421 150 I HN 0.526 nan 8.210 nan 0.000 0.513 151 S N 3.789 119.569 115.700 0.134 0.000 2.589 151 S HA 0.764 5.234 4.470 -0.000 0.000 0.272 151 S C -0.233 174.409 174.600 0.070 0.000 1.096 151 S CA -0.399 57.796 58.200 -0.009 0.000 0.985 151 S CB 1.184 64.237 63.200 -0.245 0.000 1.278 151 S HN 0.553 nan 8.310 nan 0.000 0.528 152 S N -1.531 114.192 115.700 0.039 0.000 2.543 152 S HA 0.511 4.981 4.470 -0.000 0.000 0.271 152 S C 0.661 175.326 174.600 0.109 0.000 1.148 152 S CA 0.002 58.242 58.200 0.067 0.000 0.914 152 S CB 0.864 64.095 63.200 0.051 0.000 1.096 152 S HN 0.957 nan 8.310 nan 0.000 0.471 153 G N 2.538 111.323 108.800 -0.025 0.000 2.501 153 G HA2 -0.071 3.889 3.960 -0.000 0.000 0.220 153 G HA3 -0.071 3.889 3.960 -0.000 0.000 0.220 153 G C 1.030 175.859 174.900 -0.120 0.000 1.114 153 G CA 0.631 45.556 45.100 -0.293 0.000 0.757 153 G HN 0.712 nan 8.290 nan 0.000 0.559 154 L N 0.709 121.927 121.223 -0.008 0.000 2.549 154 L HA 0.081 4.421 4.340 -0.000 0.000 0.229 154 L C 2.826 179.707 176.870 0.018 0.000 1.158 154 L CA 0.444 55.324 54.840 0.067 0.000 0.842 154 L CB -0.093 42.082 42.059 0.193 0.000 0.952 154 L HN 0.305 nan 8.230 nan 0.000 0.452 155 G N -1.316 107.460 108.800 -0.041 0.000 2.494 155 G HA2 -0.156 3.804 3.960 -0.000 0.000 0.216 155 G HA3 -0.156 3.804 3.960 -0.000 0.000 0.216 155 G C 0.880 175.766 174.900 -0.023 0.000 1.140 155 G CA 0.072 45.112 45.100 -0.100 0.000 0.801 155 G HN 0.267 nan 8.290 nan 0.000 0.536 156 S N 0.219 115.949 115.700 0.048 0.000 2.498 156 S HA 0.179 4.649 4.470 -0.000 0.000 0.281 156 S C 1.591 176.230 174.600 0.065 0.000 1.265 156 S CA -0.571 57.685 58.200 0.093 0.000 1.071 156 S CB 0.242 63.448 63.200 0.011 0.000 0.894 156 S HN 0.215 nan 8.310 nan 0.000 0.491 157 I N 4.427 125.045 120.570 0.081 0.000 2.286 157 I HA -0.121 4.049 4.170 -0.000 0.000 0.245 157 I C 2.804 178.962 176.117 0.068 0.000 1.104 157 I CA 1.428 62.765 61.300 0.062 0.000 1.397 157 I CB -0.687 37.345 38.000 0.054 0.000 1.072 157 I HN 0.830 nan 8.210 nan 0.000 0.417 158 T N -1.892 112.712 114.554 0.083 0.000 2.788 158 T HA -0.176 4.174 4.350 -0.000 0.000 0.268 158 T C 1.414 176.155 174.700 0.068 0.000 1.044 158 T CA 1.532 63.676 62.100 0.073 0.000 1.139 158 T CB -0.434 68.481 68.868 0.078 0.000 0.867 158 T HN 0.158 nan 8.240 nan 0.000 0.454 159 D N 1.575 122.019 120.400 0.072 0.000 2.363 159 D HA 0.069 4.708 4.640 -0.000 0.000 0.226 159 D C 0.604 176.947 176.300 0.073 0.000 1.020 159 D CA 0.134 54.180 54.000 0.075 0.000 0.892 159 D CB -0.725 40.126 40.800 0.084 0.000 0.900 159 D HN 0.642 nan 8.370 nan 0.000 0.531 160 N N 0.548 119.289 118.700 0.068 0.000 2.406 160 N HA -0.003 4.737 4.740 -0.000 0.000 0.269 160 N C 0.761 176.315 175.510 0.072 0.000 1.210 160 N CA 0.039 53.133 53.050 0.074 0.000 0.966 160 N CB 0.338 38.867 38.487 0.069 0.000 1.293 160 N HN -0.011 nan 8.380 nan 0.000 0.491 161 T N -1.567 113.034 114.554 0.078 0.000 3.010 161 T HA 0.056 4.405 4.350 -0.000 0.000 0.257 161 T C 0.316 175.064 174.700 0.080 0.000 1.020 161 T CA -0.360 61.783 62.100 0.072 0.000 0.938 161 T CB 0.097 69.006 68.868 0.067 0.000 1.049 161 T HN 0.288 nan 8.240 nan 0.000 0.522 162 S N 0.815 116.574 115.700 0.098 0.000 2.539 162 S HA 0.704 5.174 4.470 -0.000 0.000 0.235 162 S C 1.008 175.686 174.600 0.131 0.000 1.326 162 S CA -0.543 57.728 58.200 0.118 0.000 1.183 162 S CB 0.752 64.041 63.200 0.149 0.000 1.073 162 S HN 0.408 nan 8.310 nan 0.000 0.480 163 G N 2.757 111.620 108.800 0.105 0.000 1.947 163 G HA2 0.027 3.987 3.960 -0.000 0.000 0.335 163 G HA3 0.027 3.987 3.960 -0.000 0.000 0.335 163 G C 0.795 175.775 174.900 0.134 0.000 1.418 163 G CA 0.527 45.689 45.100 0.104 0.000 1.050 163 G HN 1.458 nan 8.290 nan 0.000 0.421 164 S N -0.595 115.172 115.700 0.111 0.000 2.562 164 S HA 0.641 5.111 4.470 -0.000 0.000 0.246 164 S C 1.266 175.910 174.600 0.073 0.000 1.056 164 S CA 0.515 58.789 58.200 0.123 0.000 1.042 164 S CB 0.821 64.085 63.200 0.107 0.000 0.822 164 S HN 0.842 nan 8.310 nan 0.000 0.465 165 A N 2.628 125.487 122.820 0.065 0.000 1.822 165 A HA -0.021 4.299 4.320 -0.000 0.000 0.214 165 A C 2.234 179.781 177.584 -0.062 0.000 1.245 165 A CA 0.905 52.946 52.037 0.007 0.000 0.608 165 A CB -0.669 18.340 19.000 0.015 0.000 0.896 165 A HN 0.458 nan 8.150 nan 0.000 0.457 166 Q N -1.070 118.665 119.800 -0.108 0.000 2.291 166 Q HA 0.034 4.373 4.340 -0.000 0.000 0.205 166 Q C -0.703 174.831 176.000 -0.776 0.000 0.970 166 Q CA 0.739 56.279 55.803 -0.438 0.000 0.876 166 Q CB -0.159 28.259 28.738 -0.533 0.000 0.935 166 Q HN 0.607 nan 8.270 nan 0.000 0.455 167 F N 1.072 121.028 119.950 0.010 0.000 2.539 167 F HA 0.294 4.820 4.527 -0.001 0.000 0.328 167 F C -2.040 173.783 175.800 0.039 0.000 1.148 167 F CA -2.720 55.291 58.000 0.019 0.000 0.940 167 F CB 1.831 40.849 39.000 0.031 0.000 1.194 167 F HN -0.198 nan 8.300 nan 0.000 0.438 168 P HA -0.009 nan 4.420 nan 0.000 0.238 168 P C 0.418 177.824 177.300 0.178 0.000 1.729 168 P CA 0.422 63.589 63.100 0.113 0.000 1.055 168 P CB 0.133 31.866 31.700 0.055 0.000 1.980 169 V N -0.578 119.466 119.914 0.216 0.000 3.214 169 V HA 0.107 4.227 4.120 -0.000 0.000 0.330 169 V C 1.613 177.864 176.094 0.262 0.000 1.403 169 V CA -0.139 62.311 62.300 0.251 0.000 1.143 169 V CB -0.374 31.611 31.823 0.269 0.000 1.098 169 V HN 0.069 nan 8.190 nan 0.000 0.463 170 L N 2.187 123.549 121.223 0.232 0.000 2.012 170 L HA 0.067 4.406 4.340 -0.000 0.000 0.210 170 L C 2.595 179.584 176.870 0.199 0.000 1.073 170 L CA 2.798 57.764 54.840 0.211 0.000 0.748 170 L CB -0.806 41.386 42.059 0.222 0.000 0.891 170 L HN 0.352 nan 8.230 nan 0.000 0.431 171 A N -1.940 121.022 122.820 0.237 0.000 2.015 171 A HA -0.236 4.084 4.320 -0.000 0.000 0.219 171 A C 2.225 179.882 177.584 0.122 0.000 1.163 171 A CA 1.541 53.651 52.037 0.120 0.000 0.646 171 A CB -1.019 18.009 19.000 0.046 0.000 0.806 171 A HN 0.655 nan 8.150 nan 0.000 0.448 172 Y N 0.318 120.655 120.300 0.062 0.000 2.220 172 Y HA -0.089 4.460 4.550 -0.000 0.000 0.291 172 Y C 2.477 178.387 175.900 0.017 0.000 1.129 172 Y CA 1.645 59.768 58.100 0.037 0.000 1.161 172 Y CB -0.239 38.258 38.460 0.062 0.000 0.997 172 Y HN 0.238 nan 8.280 nan 0.000 0.522 173 R N -0.391 120.165 120.500 0.093 0.000 2.082 173 R HA -0.220 4.119 4.340 -0.000 0.000 0.234 173 R C 2.363 178.612 176.300 -0.085 0.000 1.136 173 R CA 2.268 58.366 56.100 -0.003 0.000 0.935 173 R CB -0.507 29.840 30.300 0.077 0.000 0.842 173 R HN 0.387 nan 8.270 nan 0.000 0.430 174 M N 0.520 120.097 119.600 -0.037 0.000 2.106 174 M HA -0.216 4.263 4.480 -0.000 0.000 0.259 174 M C 2.575 178.806 176.300 -0.115 0.000 1.068 174 M CA 2.206 57.471 55.300 -0.059 0.000 1.100 174 M CB -0.593 31.990 32.600 -0.028 0.000 1.351 174 M HN 0.266 nan 8.290 nan 0.000 0.404 175 S N 0.016 115.626 115.700 -0.150 0.000 2.383 175 S HA -0.097 4.373 4.470 -0.000 0.000 0.227 175 S C 1.916 176.371 174.600 -0.242 0.000 1.026 175 S CA 0.771 58.860 58.200 -0.184 0.000 0.981 175 S CB -0.215 62.877 63.200 -0.180 0.000 0.818 175 S HN 0.305 nan 8.310 nan 0.000 0.472 176 K N 1.939 122.135 120.400 -0.340 0.000 2.062 176 K HA 0.270 4.590 4.320 -0.000 0.000 0.205 176 K C 2.532 178.961 176.600 -0.286 0.000 1.051 176 K CA 1.277 57.351 56.287 -0.354 0.000 0.941 176 K CB -1.210 31.025 32.500 -0.443 0.000 0.719 176 K HN 0.496 nan 8.250 nan 0.000 0.440 177 A N 1.435 124.124 122.820 -0.218 0.000 1.933 177 A HA -0.069 4.250 4.320 -0.000 0.000 0.218 177 A C 2.386 179.874 177.584 -0.159 0.000 1.175 177 A CA 1.998 53.932 52.037 -0.171 0.000 0.628 177 A CB -0.556 18.383 19.000 -0.102 0.000 0.814 177 A HN 0.281 nan 8.150 nan 0.000 0.444 178 A N -0.573 122.163 122.820 -0.141 0.000 1.933 178 A HA -0.062 4.258 4.320 -0.000 0.000 0.218 178 A C 2.004 179.530 177.584 -0.096 0.000 1.175 178 A CA 1.678 53.647 52.037 -0.114 0.000 0.628 178 A CB -0.467 18.467 19.000 -0.110 0.000 0.814 178 A HN 0.504 nan 8.150 nan 0.000 0.444 179 I N 0.082 120.582 120.570 -0.117 0.000 2.928 179 I HA -0.071 4.098 4.170 -0.000 0.000 0.266 179 I C 1.295 177.374 176.117 -0.063 0.000 1.234 179 I CA 0.850 62.122 61.300 -0.047 0.000 1.483 179 I CB -0.356 37.596 38.000 -0.080 0.000 1.097 179 I HN 0.185 nan 8.210 nan 0.000 0.455 180 N N -0.391 118.195 118.700 -0.190 0.000 2.416 180 N HA -0.088 4.652 4.740 -0.000 0.000 0.177 180 N C 1.633 177.001 175.510 -0.237 0.000 1.036 180 N CA 0.752 53.647 53.050 -0.258 0.000 0.901 180 N CB -0.180 38.092 38.487 -0.360 0.000 0.976 180 N HN 0.293 nan 8.380 nan 0.000 0.444 181 M N -0.449 119.042 119.600 -0.183 0.000 2.288 181 M HA 0.096 4.576 4.480 -0.000 0.000 0.266 181 M C 1.552 177.814 176.300 -0.065 0.000 1.072 181 M CA 0.870 56.061 55.300 -0.181 0.000 1.132 181 M CB -0.495 32.025 32.600 -0.134 0.000 1.386 181 M HN 0.030 nan 8.290 nan 0.000 0.432 182 F N 0.547 120.401 119.950 -0.161 0.000 2.075 182 F HA 0.083 4.610 4.527 -0.001 0.000 0.297 182 F C 2.053 177.789 175.800 -0.107 0.000 1.113 182 F CA 1.905 59.834 58.000 -0.118 0.000 1.218 182 F CB -1.246 37.694 39.000 -0.100 0.000 0.984 182 F HN 0.209 nan 8.300 nan 0.000 0.472 183 G N 0.073 108.724 108.800 -0.248 0.000 2.476 183 G HA2 -0.382 3.578 3.960 -0.000 0.000 0.218 183 G HA3 -0.382 3.578 3.960 -0.000 0.000 0.218 183 G C 1.782 176.528 174.900 -0.257 0.000 1.164 183 G CA 1.142 46.046 45.100 -0.327 0.000 0.768 183 G HN 0.333 nan 8.290 nan 0.000 0.560 184 R N 0.396 120.767 120.500 -0.214 0.000 2.097 184 R HA -0.084 4.256 4.340 -0.000 0.000 0.236 184 R C 2.780 178.977 176.300 -0.172 0.000 1.135 184 R CA 2.421 58.400 56.100 -0.201 0.000 0.934 184 R CB -1.296 28.801 30.300 -0.338 0.000 0.846 184 R HN 0.329 nan 8.270 nan 0.000 0.431 185 T N 1.216 115.667 114.554 -0.172 0.000 2.746 185 T HA -0.139 4.211 4.350 -0.000 0.000 0.267 185 T C 1.659 176.268 174.700 -0.151 0.000 1.039 185 T CA 1.355 63.379 62.100 -0.126 0.000 1.142 185 T CB -0.352 68.479 68.868 -0.061 0.000 0.866 185 T HN 0.142 nan 8.240 nan 0.000 0.444 186 L N 1.309 122.365 121.223 -0.278 0.000 2.046 186 L HA 0.053 4.392 4.340 -0.000 0.000 0.208 186 L C 2.661 179.419 176.870 -0.188 0.000 1.077 186 L CA 1.742 56.398 54.840 -0.307 0.000 0.747 186 L CB -1.038 40.645 42.059 -0.627 0.000 0.896 186 L HN 0.238 nan 8.230 nan 0.000 0.432 187 A N -1.017 121.700 122.820 -0.171 0.000 1.884 187 A HA -0.239 4.081 4.320 -0.000 0.000 0.219 187 A C 2.271 179.812 177.584 -0.072 0.000 1.197 187 A CA 2.552 54.531 52.037 -0.098 0.000 0.637 187 A CB -1.292 17.667 19.000 -0.069 0.000 0.827 187 A HN 0.298 nan 8.150 nan 0.000 0.450 188 V N 0.627 120.497 119.914 -0.073 0.000 2.295 188 V HA -0.253 3.866 4.120 -0.000 0.000 0.246 188 V C 2.158 178.225 176.094 -0.046 0.000 1.049 188 V CA 2.348 64.617 62.300 -0.052 0.000 1.024 188 V CB -0.906 30.886 31.823 -0.051 0.000 0.648 188 V HN 0.524 nan 8.190 nan 0.000 0.447 189 D N 0.100 120.467 120.400 -0.054 0.000 2.178 189 D HA -0.068 4.571 4.640 -0.000 0.000 0.201 189 D C 1.741 178.020 176.300 -0.035 0.000 0.980 189 D CA 1.099 55.076 54.000 -0.039 0.000 0.842 189 D CB -0.090 40.690 40.800 -0.033 0.000 0.948 189 D HN 0.372 nan 8.370 nan 0.000 0.472 190 L N 0.092 121.287 121.223 -0.046 0.000 2.628 190 L HA 0.131 4.471 4.340 -0.000 0.000 0.229 190 L C 1.942 178.795 176.870 -0.029 0.000 1.137 190 L CA -0.183 54.635 54.840 -0.037 0.000 0.909 190 L CB 0.087 42.118 42.059 -0.047 0.000 1.137 190 L HN -0.146 nan 8.230 nan 0.000 0.470 191 K N 1.179 121.562 120.400 -0.028 0.000 2.032 191 K HA -0.250 4.070 4.320 -0.000 0.000 0.218 191 K C 1.475 178.065 176.600 -0.015 0.000 1.054 191 K CA 2.229 58.503 56.287 -0.021 0.000 0.941 191 K CB -0.006 32.483 32.500 -0.019 0.000 0.720 191 K HN 0.220 nan 8.250 nan 0.000 0.449 192 D N 0.374 120.766 120.400 -0.014 0.000 2.310 192 D HA -0.116 4.524 4.640 -0.000 0.000 0.212 192 D C 0.791 177.085 176.300 -0.010 0.000 0.965 192 D CA 0.918 54.912 54.000 -0.011 0.000 0.879 192 D CB -0.084 40.710 40.800 -0.010 0.000 0.921 192 D HN 0.384 nan 8.370 nan 0.000 0.510 193 D N 0.007 120.400 120.400 -0.012 0.000 2.354 193 D HA 0.001 4.641 4.640 -0.000 0.000 0.209 193 D C 0.140 176.435 176.300 -0.010 0.000 1.015 193 D CA 0.066 54.059 54.000 -0.011 0.000 0.867 193 D CB 0.142 40.935 40.800 -0.012 0.000 0.933 193 D HN 0.240 nan 8.370 nan 0.000 0.520 194 N N -0.083 118.611 118.700 -0.010 0.000 2.829 194 N HA -0.168 4.572 4.740 -0.000 0.000 0.250 194 N C -0.189 175.318 175.510 -0.006 0.000 1.090 194 N CA 0.214 53.260 53.050 -0.007 0.000 0.781 194 N CB -1.220 37.265 38.487 -0.004 0.000 1.124 194 N HN 0.117 nan 8.380 nan 0.000 0.559 195 V N 0.739 120.646 119.914 -0.012 0.000 2.383 195 V HA 0.575 4.694 4.120 -0.000 0.000 0.275 195 V C 0.208 176.294 176.094 -0.014 0.000 1.036 195 V CA -0.863 61.430 62.300 -0.012 0.000 0.889 195 V CB 1.202 33.014 31.823 -0.018 0.000 0.985 195 V HN 0.205 nan 8.190 nan 0.000 0.459 196 L N 8.058 129.280 121.223 -0.001 0.000 2.397 196 L HA 0.650 4.990 4.340 -0.000 0.000 0.271 196 L C -0.166 176.701 176.870 -0.004 0.000 1.148 196 L CA 0.476 55.322 54.840 0.010 0.000 0.825 196 L CB 1.477 43.556 42.059 0.034 0.000 1.117 196 L HN 0.815 nan 8.230 nan 0.000 0.456 197 V N 4.047 123.958 119.914 -0.005 0.000 2.577 197 V HA 0.885 5.004 4.120 -0.000 0.000 0.303 197 V C -0.858 175.244 176.094 0.014 0.000 1.042 197 V CA -0.510 61.771 62.300 -0.032 0.000 0.872 197 V CB 1.533 33.291 31.823 -0.109 0.000 0.998 197 V HN 0.608 nan 8.190 nan 0.000 0.423 198 V N 4.026 123.956 119.914 0.027 0.000 2.971 198 V HA 0.566 4.686 4.120 -0.000 0.000 0.309 198 V C -0.493 175.625 176.094 0.039 0.000 1.130 198 V CA -0.694 61.635 62.300 0.049 0.000 0.964 198 V CB 2.339 34.235 31.823 0.121 0.000 1.029 198 V HN 1.032 nan 8.190 nan 0.000 0.427 199 N N 1.754 120.439 118.700 -0.024 0.000 2.314 199 N HA 0.793 5.533 4.740 -0.000 0.000 0.304 199 N C -1.780 173.794 175.510 0.107 0.000 1.073 199 N CA -0.436 52.668 53.050 0.090 0.000 0.822 199 N CB 2.279 40.767 38.487 0.001 0.000 1.280 199 N HN 0.459 nan 8.380 nan 0.000 0.489 200 F N 0.200 120.373 119.950 0.371 0.000 2.629 200 F HA 0.473 5.000 4.527 0.000 0.000 0.316 200 F C -0.219 175.831 175.800 0.417 0.000 1.081 200 F CA -0.924 57.325 58.000 0.416 0.000 0.954 200 F CB 1.366 40.553 39.000 0.312 0.000 1.337 200 F HN 0.321 nan 8.300 nan 0.000 0.474 201 C N 3.676 123.321 119.300 0.576 0.000 2.319 201 C HA 0.514 4.974 4.460 -0.000 0.000 0.323 201 C C -1.703 173.435 174.990 0.247 0.000 1.277 201 C CA -2.016 57.221 59.018 0.364 0.000 1.517 201 C CB 0.790 28.719 27.740 0.315 0.000 2.206 201 C HN 0.633 nan 8.230 nan 0.000 0.486 202 P HA 0.190 nan 4.420 nan 0.000 0.223 202 P C 0.789 178.116 177.300 0.044 0.000 1.151 202 P CA 2.002 65.156 63.100 0.090 0.000 0.787 202 P CB -0.035 31.701 31.700 0.059 0.000 0.788 203 G N -1.743 107.043 108.800 -0.024 0.000 2.685 203 G HA2 -0.146 3.814 3.960 -0.000 0.000 0.387 203 G HA3 -0.146 3.814 3.960 -0.000 0.000 0.387 203 G C -0.850 173.966 174.900 -0.141 0.000 1.324 203 G CA -0.869 44.186 45.100 -0.076 0.000 0.878 203 G HN 0.036 nan 8.290 nan 0.000 0.527 220 Q N 1.454 121.259 119.800 0.009 0.000 2.849 220 Q HA 0.350 4.689 4.340 -0.000 0.000 0.289 220 Q C 0.315 176.303 176.000 -0.019 0.000 1.012 220 Q CA 0.412 56.210 55.803 -0.008 0.000 0.899 220 Q CB 0.759 29.488 28.738 -0.015 0.000 1.235 220 Q HN 0.194 nan 8.270 nan 0.000 0.457 221 S N -1.076 114.614 115.700 -0.017 0.000 2.458 221 S HA -0.104 4.365 4.470 -0.000 0.000 0.223 221 S C 1.696 176.250 174.600 -0.076 0.000 1.019 221 S CA 0.930 59.114 58.200 -0.028 0.000 0.937 221 S CB -0.361 62.840 63.200 0.001 0.000 0.788 221 S HN 0.594 nan 8.310 nan 0.000 0.511 222 T N 0.831 115.335 114.554 -0.084 0.000 2.778 222 T HA -0.046 4.304 4.350 -0.000 0.000 0.269 222 T C 1.906 176.495 174.700 -0.185 0.000 1.050 222 T CA 1.261 63.273 62.100 -0.146 0.000 1.137 222 T CB -0.939 67.864 68.868 -0.109 0.000 0.860 222 T HN 0.564 nan 8.240 nan 0.000 0.468 223 A N 3.134 125.879 122.820 -0.125 0.000 1.828 223 A HA -0.150 4.170 4.320 -0.000 0.000 0.215 223 A C 2.410 179.909 177.584 -0.142 0.000 1.203 223 A CA 1.883 53.848 52.037 -0.119 0.000 0.614 223 A CB -0.926 18.029 19.000 -0.075 0.000 0.844 223 A HN 0.827 nan 8.150 nan 0.000 0.445 224 E N 0.070 120.203 120.200 -0.111 0.000 2.204 224 E HA -0.152 4.197 4.350 -0.000 0.000 0.195 224 E C 1.948 178.457 176.600 -0.151 0.000 0.990 224 E CA 1.100 57.439 56.400 -0.102 0.000 0.821 224 E CB -0.504 29.160 29.700 -0.060 0.000 0.750 224 E HN 0.580 nan 8.360 nan 0.000 0.477 225 L N 0.679 121.771 121.223 -0.218 0.000 1.970 225 L HA -0.217 4.123 4.340 -0.000 0.000 0.212 225 L C 2.687 179.238 176.870 -0.531 0.000 1.071 225 L CA 1.083 55.714 54.840 -0.347 0.000 0.751 225 L CB -0.449 41.362 42.059 -0.414 0.000 0.889 225 L HN 0.236 nan 8.230 nan 0.000 0.432 226 I N -0.446 119.712 120.570 -0.687 0.000 2.194 226 I HA -0.338 3.832 4.170 -0.000 0.000 0.246 226 I C 2.825 178.798 176.117 -0.239 0.000 1.093 226 I CA 1.760 62.668 61.300 -0.653 0.000 1.355 226 I CB -1.397 36.342 38.000 -0.436 0.000 1.046 226 I HN 0.315 nan 8.210 nan 0.000 0.413 227 S N 0.097 115.695 115.700 -0.171 0.000 2.419 227 S HA -0.146 4.324 4.470 -0.000 0.000 0.235 227 S C 2.160 176.738 174.600 -0.037 0.000 1.019 227 S CA 1.936 60.088 58.200 -0.080 0.000 0.982 227 S CB -0.039 63.118 63.200 -0.073 0.000 0.789 227 S HN 0.458 nan 8.310 nan 0.000 0.490 228 S N 0.259 115.939 115.700 -0.034 0.000 2.421 228 S HA 0.198 4.668 4.470 -0.000 0.000 0.224 228 S C 1.280 175.945 174.600 0.109 0.000 1.035 228 S CA 0.298 58.504 58.200 0.009 0.000 0.953 228 S CB -0.387 62.814 63.200 0.001 0.000 0.810 228 S HN 0.564 nan 8.310 nan 0.000 0.497 229 F N 3.039 122.873 119.950 -0.193 0.000 2.120 229 F HA -0.075 4.452 4.527 0.000 0.000 0.300 229 F C 1.898 177.673 175.800 -0.042 0.000 1.095 229 F CA 0.766 58.696 58.000 -0.118 0.000 1.249 229 F CB -0.776 38.147 39.000 -0.128 0.000 0.995 229 F HN 0.194 nan 8.300 nan 0.000 0.480 230 N N 0.107 118.901 118.700 0.157 0.000 2.449 230 N HA -0.031 4.708 4.740 -0.000 0.000 0.191 230 N C 1.075 176.622 175.510 0.060 0.000 1.161 230 N CA 0.461 53.563 53.050 0.088 0.000 0.863 230 N CB -0.093 38.425 38.487 0.052 0.000 0.980 230 N HN 0.385 nan 8.380 nan 0.000 0.458 231 K N -0.306 120.125 120.400 0.052 0.000 2.402 231 K HA 0.258 4.578 4.320 -0.000 0.000 0.203 231 K C 0.136 176.790 176.600 0.091 0.000 1.077 231 K CA -0.118 56.196 56.287 0.044 0.000 1.051 231 K CB 0.913 33.414 32.500 0.003 0.000 0.907 231 K HN 0.010 nan 8.250 nan 0.000 0.554 232 L N 2.901 124.171 121.223 0.078 0.000 2.453 232 L HA 0.054 4.394 4.340 -0.000 0.000 0.272 232 L C -0.057 176.978 176.870 0.274 0.000 1.182 232 L CA 0.173 55.148 54.840 0.225 0.000 0.858 232 L CB 0.096 42.222 42.059 0.112 0.000 1.120 232 L HN 0.246 nan 8.230 nan 0.000 0.474 233 D N -0.217 120.403 120.400 0.366 0.000 2.759 233 D HA 0.174 4.814 4.640 -0.000 0.000 0.321 233 D C 0.252 176.556 176.300 0.006 0.000 1.267 233 D CA -0.779 53.280 54.000 0.097 0.000 0.933 233 D CB 0.376 41.190 40.800 0.023 0.000 1.431 233 D HN 0.220 nan 8.370 nan 0.000 0.504 234 N N -0.483 118.205 118.700 -0.021 0.000 2.187 234 N HA -0.249 4.491 4.740 -0.000 0.000 0.194 234 N C 1.536 177.003 175.510 -0.072 0.000 1.002 234 N CA 2.210 55.242 53.050 -0.030 0.000 0.882 234 N CB -0.412 38.057 38.487 -0.029 0.000 1.003 234 N HN 0.526 nan 8.380 nan 0.000 0.443 235 S N -0.780 114.798 115.700 -0.203 0.000 2.453 235 S HA -0.084 4.385 4.470 -0.000 0.000 0.231 235 S C 1.276 175.762 174.600 -0.190 0.000 1.005 235 S CA 0.663 58.708 58.200 -0.258 0.000 0.949 235 S CB -0.327 62.636 63.200 -0.396 0.000 0.774 235 S HN 0.423 nan 8.310 nan 0.000 0.510 236 H N 0.682 119.830 119.070 0.130 0.000 2.563 236 H HA 0.319 4.875 4.556 -0.000 0.000 0.264 236 H C 0.397 175.864 175.328 0.230 0.000 0.957 236 H CA -0.160 56.060 56.048 0.287 0.000 1.173 236 H CB -0.637 29.229 29.762 0.173 0.000 1.420 236 H HN 0.363 nan 8.280 nan 0.000 0.551 237 N N 1.167 119.980 118.700 0.188 0.000 2.292 237 N HA -0.038 4.702 4.740 -0.000 0.000 0.258 237 N C 1.062 176.620 175.510 0.080 0.000 1.261 237 N CA 1.319 54.432 53.050 0.105 0.000 0.845 237 N CB 0.146 38.661 38.487 0.048 0.000 1.064 237 N HN 0.571 nan 8.380 nan 0.000 0.471 238 G N 2.293 111.118 108.800 0.042 0.000 2.305 238 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.287 238 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.287 238 G C 0.001 174.961 174.900 0.100 0.000 1.036 238 G CA 0.382 45.493 45.100 0.019 0.000 0.887 238 G HN 0.679 nan 8.290 nan 0.000 0.505 239 R N -1.530 119.007 120.500 0.061 0.000 2.867 239 R HA 0.669 5.009 4.340 -0.000 0.000 0.268 239 R C -1.268 174.863 176.300 -0.282 0.000 1.014 239 R CA -1.005 55.040 56.100 -0.093 0.000 0.946 239 R CB 1.433 31.510 30.300 -0.372 0.000 1.208 239 R HN 0.158 nan 8.270 nan 0.000 0.477 240 F N 2.110 121.632 119.950 -0.713 0.000 2.444 240 F HA 0.556 5.082 4.527 -0.001 0.000 0.342 240 F C -1.486 173.826 175.800 -0.812 0.000 1.121 240 F CA -1.527 56.147 58.000 -0.543 0.000 0.997 240 F CB 0.541 39.409 39.000 -0.220 0.000 1.130 240 F HN 0.330 nan 8.300 nan 0.000 0.454 241 F N 5.624 125.410 119.950 -0.273 0.000 2.588 241 F HA 0.564 5.091 4.527 -0.000 0.000 0.314 241 F C 0.068 175.701 175.800 -0.279 0.000 1.069 241 F CA -1.087 56.632 58.000 -0.468 0.000 0.931 241 F CB 1.924 40.581 39.000 -0.572 0.000 1.260 241 F HN 0.486 nan 8.300 nan 0.000 0.465 242 M N 1.227 120.763 119.600 -0.106 0.000 2.573 242 M HA 0.644 5.123 4.480 -0.000 0.000 0.309 242 M C 0.074 176.519 176.300 0.242 0.000 1.202 242 M CA -0.991 54.360 55.300 0.084 0.000 0.975 242 M CB 1.588 34.074 32.600 -0.190 0.000 1.600 242 M HN 0.731 nan 8.290 nan 0.000 0.479 243 R N 1.181 121.836 120.500 0.259 0.000 2.973 243 R HA -0.048 4.292 4.340 -0.000 0.000 0.277 243 R C 0.058 176.413 176.300 0.091 0.000 1.000 243 R CA 0.590 56.803 56.100 0.187 0.000 1.175 243 R CB -0.658 29.690 30.300 0.079 0.000 1.113 243 R HN 1.156 nan 8.270 nan 0.000 0.495 244 N N -1.487 117.237 118.700 0.039 0.000 2.815 244 N HA -0.285 4.455 4.740 -0.000 0.000 0.247 244 N C -0.065 175.426 175.510 -0.031 0.000 1.030 244 N CA 1.670 54.716 53.050 -0.007 0.000 0.881 244 N CB -1.583 36.894 38.487 -0.017 0.000 1.134 244 N HN 0.813 nan 8.380 nan 0.000 0.582 245 L N -3.308 117.910 121.223 -0.009 0.000 4.001 245 L HA -0.296 4.043 4.340 -0.000 0.000 0.413 245 L C 0.481 177.288 176.870 -0.105 0.000 1.185 245 L CA 1.483 56.231 54.840 -0.153 0.000 0.963 245 L CB -1.263 40.616 42.059 -0.300 0.000 1.976 245 L HN 0.571 nan 8.230 nan 0.000 0.939 246 K N 2.796 123.154 120.400 -0.071 0.000 2.312 246 K HA 0.294 4.614 4.320 -0.000 0.000 0.287 246 K C -2.061 174.464 176.600 -0.124 0.000 1.062 246 K CA -1.468 54.752 56.287 -0.113 0.000 0.934 246 K CB 1.014 33.392 32.500 -0.204 0.000 1.027 246 K HN -0.065 nan 8.250 nan 0.000 0.478 247 P HA 0.035 nan 4.420 nan 0.000 0.275 247 P C -1.090 175.972 177.300 -0.398 0.000 1.227 247 P CA -0.075 62.961 63.100 -0.107 0.000 0.781 247 P CB 0.501 32.219 31.700 0.032 0.000 0.906 248 Y N 0.239 120.230 120.300 -0.514 0.000 2.458 248 Y HA 0.226 4.776 4.550 -0.001 0.000 0.322 248 Y C 1.970 177.583 175.900 -0.478 0.000 1.259 248 Y CA -0.225 57.580 58.100 -0.492 0.000 1.302 248 Y CB 0.953 38.954 38.460 -0.765 0.000 1.314 248 Y HN 0.423 nan 8.280 nan 0.000 0.509 249 E N 0.592 120.742 120.200 -0.082 0.000 2.472 249 E HA 0.153 4.503 4.350 -0.000 0.000 0.196 249 E C -1.094 175.495 176.600 -0.019 0.000 1.033 249 E CA 0.137 56.461 56.400 -0.127 0.000 0.886 249 E CB 0.249 29.950 29.700 0.003 0.000 0.944 249 E HN 0.473 nan 8.360 nan 0.000 0.492 250 F N 0.000 120.034 119.950 0.141 0.000 2.286 250 F HA 0.000 4.527 4.527 -0.001 0.000 0.279 250 F CA 0.000 58.056 58.000 0.093 0.000 1.383 250 F CB 0.000 39.019 39.000 0.032 0.000 1.145 250 F HN 0.000 nan 8.300 nan 0.000 0.574