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 2x9r_1_Y DATA FIRST_RESID 6 DATA SEQUENCE LAQRLEGLRG YLDIPQKETR LKELERRLED PSLWNDPEAA RKVSQEAARL DATA SEQUENCE RRTVDTFRSL ESDLQGLLEL MEELPAEERE ALKPELEEAA KKLDELYHQT DATA SEQUENCE LLNFPHAEKN AILTIQPGAG GTEACDWAEM LLRMYTRFAE RQGFQVEVVD DATA SEQUENCE LTPGPEAGID YAQILVKGEN AYGLLSPEAG VHRLVRPSPF DASGRRHTSF DATA SEQUENCE AGVEVIPEVD EEVEVVLKPE ELRIDVMRAS GPGGQGVNTT DSAVRVVHLP DATA SEQUENCE TGITVTCQTT RSQIKNKELA LKILKARLYE LERKKREEEL KALRGEVRPI DATA SEQUENCE EWGSQIRSYV LDKNYVKDHR TGLMRHDPEN VLDGDLMDLI WAGLEWKAGR DATA SEQUENCE R 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 6 L HA 0.000 nan 4.340 nan 0.000 0.249 6 L C 0.000 176.906 176.870 0.059 0.000 1.165 6 L CA 0.000 54.864 54.840 0.041 0.000 0.813 6 L CB 0.000 42.077 42.059 0.029 0.000 0.961 7 A N 0.207 123.066 122.820 0.064 0.000 2.292 7 A HA -0.071 4.249 4.320 -0.000 0.000 0.205 7 A C 1.422 179.092 177.584 0.143 0.000 1.243 7 A CA 1.391 53.485 52.037 0.096 0.000 0.783 7 A CB -0.321 18.728 19.000 0.081 0.000 0.760 7 A HN 0.601 nan 8.150 nan 0.000 0.498 8 Q N -2.176 117.694 119.800 0.117 0.000 2.064 8 Q HA 0.217 4.557 4.340 -0.000 0.000 0.213 8 Q C 1.364 177.432 176.000 0.114 0.000 0.779 8 Q CA -0.148 55.731 55.803 0.126 0.000 1.032 8 Q CB 0.730 29.536 28.738 0.113 0.000 1.203 8 Q HN 0.600 nan 8.270 nan 0.000 0.457 9 R N -0.477 120.081 120.500 0.097 0.000 2.237 9 R HA 0.196 4.536 4.340 -0.000 0.000 0.195 9 R C 1.493 177.846 176.300 0.089 0.000 0.956 9 R CA 0.401 56.549 56.100 0.079 0.000 1.029 9 R CB 0.429 30.760 30.300 0.052 0.000 0.972 9 R HN 0.165 nan 8.270 nan 0.000 0.493 10 L N 0.409 121.695 121.223 0.106 0.000 2.062 10 L HA -0.047 4.293 4.340 -0.000 0.000 0.202 10 L C 1.999 178.947 176.870 0.129 0.000 1.079 10 L CA 1.375 56.284 54.840 0.116 0.000 0.755 10 L CB -0.336 41.805 42.059 0.137 0.000 0.913 10 L HN 0.095 nan 8.230 nan 0.000 0.445 11 E N 0.349 120.638 120.200 0.148 0.000 2.106 11 E HA -0.153 4.197 4.350 -0.000 0.000 0.192 11 E C 2.178 178.851 176.600 0.121 0.000 0.984 11 E CA 1.016 57.485 56.400 0.116 0.000 0.806 11 E CB -0.358 29.418 29.700 0.126 0.000 0.750 11 E HN 0.543 nan 8.360 nan 0.000 0.458 12 G N 0.960 109.850 108.800 0.150 0.000 2.462 12 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.220 12 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.220 12 G C 1.405 176.505 174.900 0.333 0.000 1.121 12 G CA 0.543 45.764 45.100 0.202 0.000 0.758 12 G HN 0.121 nan 8.290 nan 0.000 0.559 13 L N -0.819 120.567 121.223 0.272 0.000 2.640 13 L HA 0.309 4.649 4.340 -0.000 0.000 0.230 13 L C 2.467 179.464 176.870 0.212 0.000 1.123 13 L CA -0.178 54.847 54.840 0.309 0.000 0.900 13 L CB 0.322 42.457 42.059 0.127 0.000 1.146 13 L HN 0.052 nan 8.230 nan 0.000 0.484 14 R N -0.012 120.580 120.500 0.153 0.000 2.299 14 R HA 0.072 4.412 4.340 -0.000 0.000 0.197 14 R C 1.476 177.839 176.300 0.104 0.000 0.971 14 R CA 0.773 56.934 56.100 0.102 0.000 1.030 14 R CB 0.145 30.478 30.300 0.056 0.000 0.932 14 R HN 0.283 nan 8.270 nan 0.000 0.477 15 G N -1.638 107.246 108.800 0.139 0.000 3.695 15 G HA2 -0.033 3.927 3.960 -0.000 0.000 0.277 15 G HA3 -0.033 3.927 3.960 -0.000 0.000 0.277 15 G C 0.165 175.167 174.900 0.170 0.000 1.001 15 G CA -0.241 44.952 45.100 0.155 0.000 0.837 15 G HN 0.173 nan 8.290 nan 0.000 0.492 16 Y N 0.413 120.765 120.300 0.087 0.000 2.449 16 Y HA 0.399 4.949 4.550 -0.000 0.000 0.254 16 Y C 2.144 178.009 175.900 -0.058 0.000 1.140 16 Y CA 0.240 58.343 58.100 0.004 0.000 1.272 16 Y CB 0.491 38.957 38.460 0.011 0.000 1.114 16 Y HN 0.133 nan 8.280 nan 0.000 0.525 17 L N -1.176 120.122 121.223 0.124 0.000 2.463 17 L HA 0.025 4.365 4.340 -0.000 0.000 0.219 17 L C 1.145 178.026 176.870 0.017 0.000 1.088 17 L CA 0.433 55.308 54.840 0.058 0.000 0.849 17 L CB 0.007 42.105 42.059 0.065 0.000 1.012 17 L HN -0.007 nan 8.230 nan 0.000 0.468 18 D N 0.591 121.021 120.400 0.050 0.000 2.363 18 D HA 0.013 4.653 4.640 -0.000 0.000 0.220 18 D C 2.051 178.330 176.300 -0.035 0.000 0.994 18 D CA 0.761 54.819 54.000 0.096 0.000 0.890 18 D CB 0.502 41.453 40.800 0.251 0.000 0.906 18 D HN 0.372 nan 8.370 nan 0.000 0.530 19 I N 2.068 122.400 120.570 -0.397 0.000 2.130 19 I HA -0.132 4.038 4.170 -0.000 0.000 0.234 19 I C -0.375 175.540 176.117 -0.336 0.000 1.067 19 I CA 0.828 61.625 61.300 -0.838 0.000 1.339 19 I CB -1.749 35.719 38.000 -0.886 0.000 1.073 19 I HN -0.052 nan 8.210 nan 0.000 0.405 20 P HA -0.215 nan 4.420 nan 0.000 0.215 20 P C 1.573 178.840 177.300 -0.054 0.000 1.157 20 P CA 1.615 64.656 63.100 -0.097 0.000 0.868 20 P CB -0.211 31.452 31.700 -0.062 0.000 0.788 21 Q N 0.628 120.405 119.800 -0.038 0.000 2.096 21 Q HA -0.192 4.148 4.340 -0.000 0.000 0.208 21 Q C 1.989 177.990 176.000 0.001 0.000 0.993 21 Q CA 2.034 57.831 55.803 -0.010 0.000 0.862 21 Q CB -0.273 28.467 28.738 0.004 0.000 0.915 21 Q HN 0.417 nan 8.270 nan 0.000 0.416 22 K N -0.623 119.784 120.400 0.012 0.000 2.352 22 K HA -0.008 4.312 4.320 -0.000 0.000 0.194 22 K C 1.805 178.426 176.600 0.035 0.000 1.038 22 K CA 0.297 56.608 56.287 0.040 0.000 1.023 22 K CB 0.188 32.746 32.500 0.096 0.000 0.840 22 K HN 0.007 nan 8.250 nan 0.000 0.519 23 E N 1.449 121.648 120.200 -0.001 0.000 2.005 23 E HA -0.151 4.199 4.350 -0.000 0.000 0.198 23 E C 1.404 178.006 176.600 0.004 0.000 1.010 23 E CA 2.014 58.410 56.400 -0.006 0.000 0.825 23 E CB -0.299 29.364 29.700 -0.062 0.000 0.769 23 E HN 0.076 nan 8.360 nan 0.000 0.456 24 T N 1.115 115.665 114.554 -0.006 0.000 3.155 24 T HA -0.056 4.294 4.350 -0.000 0.000 0.264 24 T C 1.536 176.238 174.700 0.002 0.000 1.160 24 T CA 0.439 62.538 62.100 -0.002 0.000 1.075 24 T CB -0.128 68.736 68.868 -0.007 0.000 0.921 24 T HN 0.003 nan 8.240 nan 0.000 0.533 25 R N 1.389 121.893 120.500 0.007 0.000 2.127 25 R HA 0.052 4.392 4.340 -0.000 0.000 0.217 25 R C 2.097 178.402 176.300 0.009 0.000 1.074 25 R CA 0.646 56.750 56.100 0.007 0.000 0.991 25 R CB -0.492 29.815 30.300 0.012 0.000 0.895 25 R HN 0.504 nan 8.270 nan 0.000 0.450 26 L N -0.307 120.926 121.223 0.017 0.000 2.291 26 L HA 0.106 4.446 4.340 -0.000 0.000 0.214 26 L C 2.109 178.985 176.870 0.011 0.000 1.120 26 L CA 1.580 56.431 54.840 0.018 0.000 0.799 26 L CB -0.644 41.435 42.059 0.032 0.000 0.925 26 L HN -0.092 nan 8.230 nan 0.000 0.446 27 K N 0.862 121.267 120.400 0.009 0.000 2.025 27 K HA -0.131 4.189 4.320 -0.000 0.000 0.207 27 K C 1.270 177.870 176.600 0.000 0.000 1.049 27 K CA 1.672 57.962 56.287 0.006 0.000 0.933 27 K CB -0.065 32.438 32.500 0.005 0.000 0.714 27 K HN 0.535 nan 8.250 nan 0.000 0.438 28 E N 0.678 120.876 120.200 -0.003 0.000 2.320 28 E HA -0.001 4.349 4.350 -0.000 0.000 0.189 28 E C 0.766 177.356 176.600 -0.016 0.000 1.100 28 E CA -0.226 56.168 56.400 -0.009 0.000 1.009 28 E CB 0.492 30.186 29.700 -0.009 0.000 1.145 28 E HN 0.190 nan 8.360 nan 0.000 0.454 29 L N -0.071 121.143 121.223 -0.014 0.000 2.658 29 L HA 0.073 4.413 4.340 -0.000 0.000 0.222 29 L C 1.175 178.031 176.870 -0.022 0.000 1.033 29 L CA 0.920 55.746 54.840 -0.024 0.000 0.949 29 L CB 0.041 42.089 42.059 -0.018 0.000 1.698 29 L HN 0.100 nan 8.230 nan 0.000 0.498 30 E N -0.208 119.988 120.200 -0.006 0.000 2.494 30 E HA -0.115 4.235 4.350 -0.000 0.000 0.193 30 E C 1.590 178.194 176.600 0.006 0.000 1.074 30 E CA 0.612 57.015 56.400 0.005 0.000 0.867 30 E CB -0.098 29.611 29.700 0.015 0.000 0.924 30 E HN 0.280 nan 8.360 nan 0.000 0.502 31 R N 0.109 120.606 120.500 -0.003 0.000 2.404 31 R HA 0.306 4.646 4.340 -0.000 0.000 0.237 31 R C 1.163 177.457 176.300 -0.010 0.000 0.907 31 R CA 0.093 56.193 56.100 -0.001 0.000 1.063 31 R CB 0.395 30.694 30.300 -0.002 0.000 1.134 31 R HN 0.050 nan 8.270 nan 0.000 0.529 32 R N -0.489 119.993 120.500 -0.030 0.000 2.397 32 R HA 0.218 4.558 4.340 -0.000 0.000 0.241 32 R C 1.071 177.323 176.300 -0.081 0.000 0.914 32 R CA 0.097 56.161 56.100 -0.059 0.000 1.071 32 R CB 0.535 30.783 30.300 -0.087 0.000 1.116 32 R HN 0.168 nan 8.270 nan 0.000 0.524 33 L N 0.030 121.234 121.223 -0.032 0.000 2.357 33 L HA 0.115 4.455 4.340 -0.000 0.000 0.211 33 L C 2.005 178.938 176.870 0.106 0.000 1.075 33 L CA 0.601 55.453 54.840 0.020 0.000 0.830 33 L CB -0.035 42.050 42.059 0.044 0.000 0.996 33 L HN 0.112 nan 8.230 nan 0.000 0.467 34 E N 0.217 120.457 120.200 0.068 0.000 2.526 34 E HA -0.123 4.227 4.350 -0.000 0.000 0.198 34 E C -0.155 176.494 176.600 0.081 0.000 1.091 34 E CA 0.083 56.528 56.400 0.075 0.000 0.880 34 E CB 0.316 30.044 29.700 0.047 0.000 0.873 34 E HN 0.200 nan 8.360 nan 0.000 0.527 35 D N -0.468 119.987 120.400 0.092 0.000 2.696 35 D HA 0.107 4.747 4.640 -0.000 0.000 0.251 35 D C -1.902 174.499 176.300 0.169 0.000 1.188 35 D CA -1.880 52.176 54.000 0.094 0.000 0.876 35 D CB 2.031 42.859 40.800 0.047 0.000 1.334 35 D HN -0.086 nan 8.370 nan 0.000 0.540 36 P HA -0.048 nan 4.420 nan 0.000 0.220 36 P C 1.202 178.656 177.300 0.257 0.000 1.152 36 P CA 0.297 63.606 63.100 0.349 0.000 0.812 36 P CB 0.432 32.243 31.700 0.184 0.000 0.792 37 S N 0.334 116.115 115.700 0.135 0.000 2.444 37 S HA -0.175 4.295 4.470 -0.000 0.000 0.244 37 S C 1.807 176.451 174.600 0.074 0.000 1.025 37 S CA 1.241 59.494 58.200 0.088 0.000 0.995 37 S CB -0.957 62.275 63.200 0.052 0.000 0.781 37 S HN 0.128 nan 8.310 nan 0.000 0.496 38 L N -0.078 121.177 121.223 0.054 0.000 2.127 38 L HA 0.215 4.555 4.340 -0.000 0.000 0.203 38 L C 1.713 178.571 176.870 -0.020 0.000 1.080 38 L CA 1.249 56.069 54.840 -0.034 0.000 0.768 38 L CB -0.808 41.165 42.059 -0.142 0.000 0.924 38 L HN 0.307 nan 8.230 nan 0.000 0.444 39 W N 0.849 122.151 121.300 0.003 0.000 2.296 39 W HA -0.292 4.368 4.660 -0.000 0.000 0.296 39 W C 2.335 178.855 176.519 0.002 0.000 1.220 39 W CA 1.498 58.844 57.345 0.003 0.000 1.223 39 W CB -0.768 28.693 29.460 0.003 0.000 1.139 39 W HN 0.280 nan 8.180 nan 0.000 0.534 40 N N -0.021 118.806 118.700 0.211 0.000 2.242 40 N HA -0.181 4.559 4.740 -0.000 0.000 0.191 40 N C -0.001 175.566 175.510 0.095 0.000 1.005 40 N CA 1.424 54.551 53.050 0.128 0.000 0.877 40 N CB -0.566 37.969 38.487 0.081 0.000 0.983 40 N HN 0.179 nan 8.380 nan 0.000 0.439 41 D N 0.475 120.917 120.400 0.070 0.000 2.365 41 D HA 0.108 4.748 4.640 -0.000 0.000 0.237 41 D C -1.553 174.781 176.300 0.056 0.000 1.190 41 D CA -1.800 52.221 54.000 0.037 0.000 0.867 41 D CB 1.342 42.138 40.800 -0.007 0.000 1.050 41 D HN 0.042 nan 8.370 nan 0.000 0.491 42 P HA -0.149 nan 4.420 nan 0.000 0.219 42 P C 0.826 178.163 177.300 0.062 0.000 1.144 42 P CA 1.046 64.196 63.100 0.084 0.000 0.806 42 P CB 0.479 32.215 31.700 0.060 0.000 0.771 43 E N -1.897 118.318 120.200 0.025 0.000 2.414 43 E HA 0.159 4.509 4.350 -0.000 0.000 0.208 43 E C 1.535 178.113 176.600 -0.037 0.000 0.820 43 E CA 0.114 56.515 56.400 0.002 0.000 1.143 43 E CB -0.063 29.639 29.700 0.003 0.000 1.150 43 E HN -0.006 nan 8.360 nan 0.000 0.540 44 A N 0.468 123.256 122.820 -0.052 0.000 2.252 44 A HA 0.273 4.593 4.320 -0.000 0.000 0.207 44 A C 1.621 179.095 177.584 -0.183 0.000 1.194 44 A CA 0.963 52.945 52.037 -0.092 0.000 0.809 44 A CB -0.181 18.776 19.000 -0.072 0.000 0.814 44 A HN 0.260 nan 8.150 nan 0.000 0.482 45 A N -1.518 121.176 122.820 -0.210 0.000 2.419 45 A HA 0.283 4.602 4.320 -0.000 0.000 0.233 45 A C 1.951 179.291 177.584 -0.407 0.000 1.217 45 A CA 0.241 51.980 52.037 -0.498 0.000 0.944 45 A CB -0.004 18.753 19.000 -0.404 0.000 1.025 45 A HN 0.255 nan 8.150 nan 0.000 0.524 46 R N 0.110 120.525 120.500 -0.141 0.000 2.142 46 R HA 0.129 4.469 4.340 -0.000 0.000 0.204 46 R C 1.663 177.925 176.300 -0.062 0.000 1.059 46 R CA 0.742 56.819 56.100 -0.038 0.000 1.055 46 R CB -0.223 30.090 30.300 0.022 0.000 0.976 46 R HN 0.227 nan 8.270 nan 0.000 0.483 47 K N 0.959 121.315 120.400 -0.075 0.000 2.057 47 K HA -0.036 4.284 4.320 -0.000 0.000 0.207 47 K C 1.887 178.438 176.600 -0.082 0.000 1.049 47 K CA 1.229 57.479 56.287 -0.062 0.000 0.931 47 K CB -0.158 32.308 32.500 -0.057 0.000 0.714 47 K HN 0.047 nan 8.250 nan 0.000 0.440 48 V N 0.377 120.208 119.914 -0.139 0.000 2.515 48 V HA -0.123 3.997 4.120 -0.000 0.000 0.250 48 V C 2.243 178.262 176.094 -0.125 0.000 1.058 48 V CA 1.770 63.980 62.300 -0.151 0.000 1.064 48 V CB -0.306 31.373 31.823 -0.240 0.000 0.675 48 V HN 0.293 nan 8.190 nan 0.000 0.461 49 S N -1.146 114.477 115.700 -0.129 0.000 2.607 49 S HA -0.105 4.365 4.470 -0.000 0.000 0.224 49 S C 1.826 176.421 174.600 -0.008 0.000 0.969 49 S CA 0.613 58.787 58.200 -0.044 0.000 0.927 49 S CB -0.152 63.060 63.200 0.019 0.000 0.772 49 S HN 0.578 nan 8.310 nan 0.000 0.533 50 Q N 0.801 120.587 119.800 -0.023 0.000 2.226 50 Q HA 0.057 4.397 4.340 -0.000 0.000 0.199 50 Q C 1.510 177.505 176.000 -0.009 0.000 0.945 50 Q CA 0.962 56.760 55.803 -0.008 0.000 0.861 50 Q CB -0.138 28.593 28.738 -0.011 0.000 0.953 50 Q HN 0.494 nan 8.270 nan 0.000 0.490 51 E N 0.593 120.781 120.200 -0.020 0.000 2.152 51 E HA -0.046 4.304 4.350 -0.000 0.000 0.192 51 E C 1.772 178.367 176.600 -0.008 0.000 0.983 51 E CA 0.903 57.294 56.400 -0.014 0.000 0.818 51 E CB -0.067 29.619 29.700 -0.024 0.000 0.758 51 E HN 0.378 nan 8.360 nan 0.000 0.467 52 A N 1.371 124.183 122.820 -0.013 0.000 1.969 52 A HA 0.017 4.337 4.320 -0.000 0.000 0.218 52 A C 2.265 179.856 177.584 0.012 0.000 1.169 52 A CA 1.578 53.615 52.037 0.000 0.000 0.635 52 A CB -0.237 18.764 19.000 0.002 0.000 0.810 52 A HN 0.222 nan 8.150 nan 0.000 0.445 53 A N -1.071 121.756 122.820 0.011 0.000 2.251 53 A HA 0.146 4.466 4.320 -0.000 0.000 0.209 53 A C 1.947 179.533 177.584 0.004 0.000 1.187 53 A CA 0.283 52.328 52.037 0.013 0.000 0.823 53 A CB -0.286 18.724 19.000 0.017 0.000 0.846 53 A HN 0.467 nan 8.150 nan 0.000 0.486 54 R N -0.859 119.643 120.500 0.003 0.000 2.276 54 R HA 0.082 4.422 4.340 -0.000 0.000 0.203 54 R C 0.143 176.442 176.300 -0.001 0.000 1.017 54 R CA 0.277 56.377 56.100 -0.000 0.000 1.010 54 R CB -0.148 30.155 30.300 0.005 0.000 0.900 54 R HN 0.356 nan 8.270 nan 0.000 0.469 55 L N 0.944 122.172 121.223 0.007 0.000 2.713 55 L HA 0.026 4.366 4.340 -0.000 0.000 0.245 55 L C 1.989 178.855 176.870 -0.008 0.000 1.169 55 L CA 0.893 55.741 54.840 0.013 0.000 0.962 55 L CB -0.612 41.462 42.059 0.025 0.000 1.161 55 L HN 0.086 nan 8.230 nan 0.000 0.427 56 R N -0.603 119.883 120.500 -0.023 0.000 2.062 56 R HA 0.102 4.442 4.340 -0.000 0.000 0.218 56 R C 1.579 177.836 176.300 -0.073 0.000 1.161 56 R CA 0.168 56.247 56.100 -0.035 0.000 0.994 56 R CB 0.145 30.430 30.300 -0.025 0.000 0.888 56 R HN 0.058 nan 8.270 nan 0.000 0.442 57 R N 1.014 121.462 120.500 -0.087 0.000 2.335 57 R HA 0.052 4.392 4.340 -0.000 0.000 0.223 57 R C 0.524 176.675 176.300 -0.248 0.000 0.940 57 R CA 0.912 56.928 56.100 -0.141 0.000 1.086 57 R CB 0.691 30.928 30.300 -0.104 0.000 1.073 57 R HN 0.520 nan 8.270 nan 0.000 0.504 58 T N -4.878 109.550 114.554 -0.210 0.000 3.170 58 T HA 0.214 4.564 4.350 -0.000 0.000 0.288 58 T C 0.930 175.548 174.700 -0.136 0.000 0.992 58 T CA -0.162 61.771 62.100 -0.277 0.000 0.909 58 T CB 0.407 69.287 68.868 0.020 0.000 1.133 58 T HN -0.117 nan 8.240 nan 0.000 0.530 59 V N 1.474 121.313 119.914 -0.124 0.000 3.392 59 V HA 0.189 4.309 4.120 -0.000 0.000 0.294 59 V C 1.596 177.659 176.094 -0.053 0.000 1.561 59 V CA 0.451 62.742 62.300 -0.014 0.000 1.056 59 V CB 1.061 32.894 31.823 0.018 0.000 0.882 59 V HN 0.597 nan 8.190 nan 0.000 0.440 60 D N -0.678 119.646 120.400 -0.127 0.000 2.394 60 D HA -0.049 4.591 4.640 -0.000 0.000 0.226 60 D C 1.533 177.749 176.300 -0.140 0.000 0.990 60 D CA 1.306 55.245 54.000 -0.102 0.000 0.902 60 D CB 0.200 40.944 40.800 -0.093 0.000 1.038 60 D HN 0.289 nan 8.370 nan 0.000 0.499 61 T N 0.697 115.089 114.554 -0.271 0.000 2.668 61 T HA -0.031 4.319 4.350 -0.000 0.000 0.258 61 T C 1.526 176.098 174.700 -0.213 0.000 1.051 61 T CA 0.948 62.865 62.100 -0.306 0.000 1.155 61 T CB -0.626 67.938 68.868 -0.507 0.000 0.864 61 T HN 0.027 nan 8.240 nan 0.000 0.413 62 F N 1.833 121.718 119.950 -0.109 0.000 2.529 62 F HA 0.010 4.537 4.527 -0.000 0.000 0.297 62 F C 2.336 178.074 175.800 -0.104 0.000 1.114 62 F CA 0.199 58.107 58.000 -0.153 0.000 1.467 62 F CB -0.693 38.231 39.000 -0.127 0.000 1.096 62 F HN 0.007 nan 8.300 nan 0.000 0.586 63 R N -0.104 120.430 120.500 0.057 0.000 2.056 63 R HA 0.076 4.416 4.340 -0.000 0.000 0.215 63 R C 1.940 178.249 176.300 0.016 0.000 1.205 63 R CA 1.295 57.419 56.100 0.039 0.000 1.020 63 R CB -1.124 29.189 30.300 0.021 0.000 0.911 63 R HN 0.290 nan 8.270 nan 0.000 0.451 64 S N 0.991 116.685 115.700 -0.010 0.000 2.840 64 S HA 0.057 4.527 4.470 -0.000 0.000 0.235 64 S C 1.277 175.873 174.600 -0.006 0.000 0.968 64 S CA 0.062 58.258 58.200 -0.008 0.000 1.026 64 S CB 0.041 63.229 63.200 -0.019 0.000 0.788 64 S HN 0.135 nan 8.310 nan 0.000 0.487 65 L N -0.152 121.070 121.223 -0.001 0.000 2.803 65 L HA 0.547 4.887 4.340 -0.000 0.000 0.246 65 L C 1.393 178.290 176.870 0.045 0.000 1.100 65 L CA 0.850 55.693 54.840 0.005 0.000 0.919 65 L CB 0.333 42.371 42.059 -0.035 0.000 1.285 65 L HN 0.035 nan 8.230 nan 0.000 0.522 66 E N -0.974 119.258 120.200 0.053 0.000 2.489 66 E HA 0.121 4.471 4.350 -0.000 0.000 0.193 66 E C 1.857 178.504 176.600 0.079 0.000 1.057 66 E CA 0.541 57.003 56.400 0.103 0.000 0.866 66 E CB 0.227 29.993 29.700 0.110 0.000 0.916 66 E HN 0.333 nan 8.360 nan 0.000 0.500 67 S N 0.316 116.048 115.700 0.054 0.000 2.456 67 S HA -0.019 4.451 4.470 -0.000 0.000 0.224 67 S C 0.563 175.188 174.600 0.043 0.000 1.035 67 S CA 0.362 58.587 58.200 0.042 0.000 0.940 67 S CB 0.150 63.367 63.200 0.028 0.000 0.799 67 S HN 0.207 nan 8.310 nan 0.000 0.508 68 D N 0.907 121.335 120.400 0.047 0.000 2.319 68 D HA 0.159 4.799 4.640 -0.000 0.000 0.230 68 D C 0.893 177.231 176.300 0.064 0.000 1.094 68 D CA 0.153 54.181 54.000 0.048 0.000 0.856 68 D CB 0.311 41.137 40.800 0.043 0.000 0.915 68 D HN 0.182 nan 8.370 nan 0.000 0.517 69 L N -0.788 120.480 121.223 0.075 0.000 2.878 69 L HA 0.274 4.614 4.340 -0.000 0.000 0.253 69 L C 1.060 177.969 176.870 0.065 0.000 1.135 69 L CA 0.841 55.733 54.840 0.086 0.000 0.943 69 L CB 0.484 42.624 42.059 0.134 0.000 1.307 69 L HN -0.188 nan 8.230 nan 0.000 0.545 70 Q N -1.532 118.302 119.800 0.056 0.000 2.245 70 Q HA 0.305 4.645 4.340 -0.000 0.000 0.250 70 Q C 1.369 177.389 176.000 0.034 0.000 0.830 70 Q CA 0.536 56.365 55.803 0.043 0.000 0.950 70 Q CB 0.802 29.567 28.738 0.045 0.000 1.124 70 Q HN 0.445 nan 8.270 nan 0.000 0.502 71 G N 0.122 108.942 108.800 0.034 0.000 3.141 71 G HA2 0.098 4.058 3.960 -0.000 0.000 0.218 71 G HA3 0.098 4.058 3.960 -0.000 0.000 0.218 71 G C 0.790 175.705 174.900 0.026 0.000 1.170 71 G CA 0.174 45.290 45.100 0.027 0.000 0.769 71 G HN 0.126 nan 8.290 nan 0.000 0.546 72 L N -0.831 120.410 121.223 0.029 0.000 2.678 72 L HA 0.488 4.828 4.340 -0.000 0.000 0.211 72 L C 1.350 178.236 176.870 0.026 0.000 1.043 72 L CA 0.293 55.150 54.840 0.028 0.000 0.881 72 L CB -0.010 42.069 42.059 0.034 0.000 1.361 72 L HN 0.049 nan 8.230 nan 0.000 0.484 73 L N 0.265 121.505 121.223 0.029 0.000 2.801 73 L HA 0.144 4.484 4.340 -0.000 0.000 0.250 73 L C 1.248 178.130 176.870 0.020 0.000 1.222 73 L CA 1.054 55.909 54.840 0.025 0.000 1.054 73 L CB -0.883 41.193 42.059 0.027 0.000 1.330 73 L HN 0.474 nan 8.230 nan 0.000 0.426 74 E N -1.028 119.184 120.200 0.019 0.000 2.520 74 E HA 0.185 4.535 4.350 -0.000 0.000 0.201 74 E C -0.234 176.374 176.600 0.014 0.000 0.894 74 E CA -0.012 56.398 56.400 0.016 0.000 1.161 74 E CB 0.425 30.136 29.700 0.017 0.000 1.137 74 E HN 0.264 nan 8.360 nan 0.000 0.510 75 L N 2.245 123.476 121.223 0.014 0.000 2.709 75 L HA 0.505 4.845 4.340 -0.000 0.000 0.236 75 L C -0.433 176.444 176.870 0.012 0.000 1.266 75 L CA 0.104 54.951 54.840 0.012 0.000 0.987 75 L CB 0.222 42.288 42.059 0.011 0.000 1.306 75 L HN 0.246 nan 8.230 nan 0.000 0.467 76 M N 1.859 121.467 119.600 0.012 0.000 1.960 76 M HA 0.388 4.868 4.480 -0.000 0.000 0.271 76 M C -0.963 175.343 176.300 0.011 0.000 0.862 76 M CA -0.098 55.209 55.300 0.013 0.000 0.854 76 M CB 1.352 33.961 32.600 0.016 0.000 1.575 76 M HN 0.207 nan 8.290 nan 0.000 0.375 77 E N 2.566 122.771 120.200 0.009 0.000 2.200 77 E HA 0.088 4.438 4.350 -0.000 0.000 0.283 77 E C 0.028 176.632 176.600 0.007 0.000 1.015 77 E CA -0.065 56.339 56.400 0.007 0.000 0.819 77 E CB 1.528 31.232 29.700 0.006 0.000 1.081 77 E HN 0.710 nan 8.360 nan 0.000 0.397 78 E N 2.528 122.732 120.200 0.007 0.000 2.472 78 E HA -0.058 4.292 4.350 -0.000 0.000 0.200 78 E C -0.114 176.489 176.600 0.005 0.000 1.046 78 E CA 0.218 56.622 56.400 0.006 0.000 0.871 78 E CB 0.236 29.939 29.700 0.006 0.000 0.806 78 E HN 0.389 nan 8.360 nan 0.000 0.533 79 L N 2.193 123.418 121.223 0.004 0.000 2.264 79 L HA 0.324 4.664 4.340 -0.000 0.000 0.289 79 L C -2.139 174.733 176.870 0.004 0.000 1.044 79 L CA -2.248 52.594 54.840 0.003 0.000 0.807 79 L CB 0.866 42.926 42.059 0.003 0.000 1.192 79 L HN -0.166 nan 8.230 nan 0.000 0.425 80 P HA -0.017 nan 4.420 nan 0.000 0.257 80 P C -0.459 176.843 177.300 0.003 0.000 1.162 80 P CA 0.523 63.625 63.100 0.003 0.000 0.762 80 P CB 0.627 32.329 31.700 0.003 0.000 0.753 81 A N 3.260 126.083 122.820 0.004 0.000 2.681 81 A HA 0.497 4.817 4.320 -0.000 0.000 0.278 81 A C 0.878 178.465 177.584 0.004 0.000 1.272 81 A CA -0.309 51.730 52.037 0.004 0.000 0.750 81 A CB 0.866 19.869 19.000 0.005 0.000 1.351 81 A HN 0.423 nan 8.150 nan 0.000 0.514 82 E N -1.634 118.568 120.200 0.004 0.000 2.228 82 E HA 0.019 4.369 4.350 -0.000 0.000 0.197 82 E C 0.977 177.580 176.600 0.005 0.000 0.909 82 E CA 0.727 57.130 56.400 0.004 0.000 0.911 82 E CB 0.228 29.930 29.700 0.003 0.000 0.887 82 E HN 0.557 nan 8.360 nan 0.000 0.481 83 E N 0.011 120.214 120.200 0.005 0.000 2.476 83 E HA 0.015 4.365 4.350 -0.000 0.000 0.191 83 E C 1.147 177.751 176.600 0.007 0.000 1.064 83 E CA 0.292 56.695 56.400 0.006 0.000 0.866 83 E CB 0.219 29.923 29.700 0.006 0.000 0.952 83 E HN 0.021 nan 8.360 nan 0.000 0.492 84 R N -0.416 120.088 120.500 0.007 0.000 2.191 84 R HA 0.259 4.599 4.340 -0.000 0.000 0.187 84 R C 1.544 177.849 176.300 0.008 0.000 1.078 84 R CA 0.998 57.103 56.100 0.008 0.000 1.139 84 R CB -0.377 29.928 30.300 0.008 0.000 1.120 84 R HN 0.171 nan 8.270 nan 0.000 0.536 85 E N 0.347 120.551 120.200 0.007 0.000 2.511 85 E HA 0.033 4.383 4.350 -0.000 0.000 0.196 85 E C 0.281 176.886 176.600 0.007 0.000 1.066 85 E CA 0.491 56.895 56.400 0.007 0.000 0.871 85 E CB 0.211 29.915 29.700 0.006 0.000 0.863 85 E HN 0.324 nan 8.360 nan 0.000 0.520 86 A N 0.209 123.033 122.820 0.007 0.000 2.387 86 A HA 0.131 4.451 4.320 -0.000 0.000 0.234 86 A C 1.411 179.000 177.584 0.008 0.000 1.253 86 A CA -0.188 51.853 52.037 0.007 0.000 0.894 86 A CB 0.205 19.208 19.000 0.006 0.000 0.963 86 A HN 0.322 nan 8.150 nan 0.000 0.508 87 L N -1.896 119.333 121.223 0.010 0.000 2.642 87 L HA 0.301 4.641 4.340 -0.000 0.000 0.233 87 L C 1.699 178.577 176.870 0.013 0.000 1.077 87 L CA 0.951 55.798 54.840 0.012 0.000 0.879 87 L CB 0.027 42.094 42.059 0.013 0.000 1.151 87 L HN -0.020 nan 8.230 nan 0.000 0.495 88 K N 0.703 121.111 120.400 0.013 0.000 2.001 88 K HA 0.006 4.326 4.320 -0.000 0.000 0.208 88 K C -0.541 176.067 176.600 0.014 0.000 1.048 88 K CA 1.542 57.838 56.287 0.015 0.000 0.932 88 K CB -1.778 30.731 32.500 0.014 0.000 0.715 88 K HN 0.268 nan 8.250 nan 0.000 0.437 89 P HA -0.068 nan 4.420 nan 0.000 0.228 89 P C 0.689 177.994 177.300 0.008 0.000 1.151 89 P CA 0.946 64.051 63.100 0.008 0.000 0.770 89 P CB 0.095 31.799 31.700 0.006 0.000 0.786 90 E N -1.191 119.015 120.200 0.010 0.000 2.435 90 E HA 0.072 4.422 4.350 -0.000 0.000 0.195 90 E C 0.980 177.588 176.600 0.012 0.000 1.029 90 E CA 0.698 57.104 56.400 0.010 0.000 0.865 90 E CB 0.070 29.776 29.700 0.011 0.000 0.833 90 E HN 0.264 nan 8.360 nan 0.000 0.510 91 L N 0.554 121.787 121.223 0.016 0.000 3.184 91 L HA 0.114 4.454 4.340 -0.000 0.000 0.283 91 L C 1.594 178.477 176.870 0.022 0.000 1.218 91 L CA 0.362 55.214 54.840 0.020 0.000 1.028 91 L CB 0.252 42.327 42.059 0.026 0.000 1.400 91 L HN 0.062 nan 8.230 nan 0.000 0.591 92 E N 0.448 120.658 120.200 0.017 0.000 2.112 92 E HA -0.155 4.195 4.350 -0.000 0.000 0.190 92 E C 1.585 178.193 176.600 0.012 0.000 0.979 92 E CA 1.229 57.639 56.400 0.017 0.000 0.814 92 E CB 0.040 29.747 29.700 0.012 0.000 0.762 92 E HN 0.310 nan 8.360 nan 0.000 0.460 93 E N -0.236 119.968 120.200 0.006 0.000 2.481 93 E HA 0.198 4.548 4.350 -0.000 0.000 0.198 93 E C 0.644 177.244 176.600 -0.001 0.000 1.027 93 E CA 0.466 56.865 56.400 -0.002 0.000 0.900 93 E CB 0.353 30.049 29.700 -0.007 0.000 0.993 93 E HN 0.348 nan 8.360 nan 0.000 0.482 94 A N -0.147 122.678 122.820 0.008 0.000 2.430 94 A HA 0.507 4.827 4.320 -0.000 0.000 0.243 94 A C 1.373 178.969 177.584 0.021 0.000 1.254 94 A CA 0.605 52.648 52.037 0.010 0.000 0.914 94 A CB 0.351 19.359 19.000 0.013 0.000 0.998 94 A HN 0.227 nan 8.150 nan 0.000 0.515 95 A N -0.527 122.308 122.820 0.025 0.000 1.977 95 A HA 0.258 4.578 4.320 -0.000 0.000 0.197 95 A C 1.758 179.367 177.584 0.041 0.000 1.554 95 A CA 0.808 52.871 52.037 0.044 0.000 1.037 95 A CB -0.071 18.960 19.000 0.053 0.000 1.083 95 A HN 0.243 nan 8.150 nan 0.000 0.471 96 K N 0.532 120.945 120.400 0.021 0.000 2.211 96 K HA -0.014 4.306 4.320 -0.000 0.000 0.203 96 K C 1.373 177.959 176.600 -0.024 0.000 1.050 96 K CA 1.281 57.570 56.287 0.003 0.000 0.945 96 K CB -0.093 32.402 32.500 -0.009 0.000 0.732 96 K HN 0.330 nan 8.250 nan 0.000 0.451 97 K N 0.731 121.119 120.400 -0.020 0.000 2.444 97 K HA 0.039 4.359 4.320 -0.000 0.000 0.193 97 K C 1.657 178.242 176.600 -0.026 0.000 1.024 97 K CA -0.037 56.228 56.287 -0.037 0.000 1.077 97 K CB 0.155 32.636 32.500 -0.031 0.000 0.833 97 K HN 0.171 nan 8.250 nan 0.000 0.517 98 L N 1.046 122.271 121.223 0.003 0.000 2.465 98 L HA -0.114 4.226 4.340 -0.000 0.000 0.224 98 L C 1.755 178.642 176.870 0.029 0.000 1.145 98 L CA 1.103 55.956 54.840 0.022 0.000 0.834 98 L CB -0.039 42.055 42.059 0.057 0.000 0.944 98 L HN 0.174 nan 8.230 nan 0.000 0.451 99 D N -0.135 120.266 120.400 0.000 0.000 2.348 99 D HA -0.233 4.407 4.640 -0.000 0.000 0.216 99 D C 1.723 177.978 176.300 -0.075 0.000 0.970 99 D CA 0.562 54.543 54.000 -0.033 0.000 0.889 99 D CB 0.402 41.090 40.800 -0.186 0.000 0.912 99 D HN 0.424 nan 8.370 nan 0.000 0.524 100 E N -0.128 120.031 120.200 -0.069 0.000 2.150 100 E HA -0.120 4.230 4.350 -0.000 0.000 0.193 100 E C 1.817 178.403 176.600 -0.023 0.000 0.985 100 E CA 0.461 56.821 56.400 -0.068 0.000 0.814 100 E CB -0.181 29.480 29.700 -0.065 0.000 0.752 100 E HN 0.218 nan 8.360 nan 0.000 0.466 101 L N -0.249 120.968 121.223 -0.010 0.000 2.446 101 L HA 0.054 4.394 4.340 -0.000 0.000 0.219 101 L C 1.556 178.437 176.870 0.018 0.000 1.116 101 L CA 0.994 55.825 54.840 -0.015 0.000 0.844 101 L CB -0.570 41.467 42.059 -0.035 0.000 0.970 101 L HN 0.180 nan 8.230 nan 0.000 0.457 102 Y N 0.341 120.583 120.300 -0.097 0.000 2.090 102 Y HA -0.233 4.317 4.550 -0.000 0.000 0.274 102 Y C 2.612 178.491 175.900 -0.035 0.000 1.110 102 Y CA 2.073 60.100 58.100 -0.122 0.000 1.092 102 Y CB -0.876 37.498 38.460 -0.142 0.000 0.992 102 Y HN 0.326 nan 8.280 nan 0.000 0.479 103 H N -0.858 118.349 119.070 0.229 0.000 2.539 103 H HA -0.183 4.373 4.556 -0.000 0.000 0.292 103 H C 1.657 176.968 175.328 -0.028 0.000 1.069 103 H CA 0.726 56.810 56.048 0.060 0.000 1.244 103 H CB 0.234 29.973 29.762 -0.038 0.000 1.365 103 H HN 0.381 nan 8.280 nan 0.000 0.575 104 Q N 0.135 119.988 119.800 0.088 0.000 2.378 104 Q HA -0.055 4.285 4.340 -0.000 0.000 0.205 104 Q C 1.767 177.745 176.000 -0.037 0.000 0.954 104 Q CA 1.171 56.978 55.803 0.006 0.000 0.901 104 Q CB 0.347 29.079 28.738 -0.009 0.000 0.981 104 Q HN 0.466 nan 8.270 nan 0.000 0.483 105 T N -3.272 111.244 114.554 -0.065 0.000 3.228 105 T HA 0.249 4.599 4.350 -0.000 0.000 0.278 105 T C 0.635 175.193 174.700 -0.236 0.000 1.014 105 T CA -0.331 61.709 62.100 -0.100 0.000 0.904 105 T CB 0.259 69.069 68.868 -0.097 0.000 1.110 105 T HN 0.169 nan 8.240 nan 0.000 0.541 106 L N -0.408 120.614 121.223 -0.335 0.000 3.406 106 L HA 0.549 4.889 4.340 -0.000 0.000 0.309 106 L C 0.704 177.166 176.870 -0.680 0.000 1.159 106 L CA 0.230 54.715 54.840 -0.592 0.000 1.122 106 L CB 0.213 42.122 42.059 -0.251 0.000 1.633 106 L HN 0.384 nan 8.230 nan 0.000 0.607 107 L N 0.119 121.111 121.223 -0.385 0.000 2.766 107 L HA 0.280 4.620 4.340 -0.000 0.000 0.242 107 L C 0.231 177.017 176.870 -0.139 0.000 1.136 107 L CA 0.137 54.834 54.840 -0.238 0.000 0.933 107 L CB 0.252 42.249 42.059 -0.103 0.000 1.241 107 L HN 0.147 nan 8.230 nan 0.000 0.522 108 N N -0.320 118.287 118.700 -0.153 0.000 2.346 108 N HA 0.166 4.906 4.740 -0.000 0.000 0.225 108 N C -0.796 174.866 175.510 0.254 0.000 1.144 108 N CA 0.075 53.146 53.050 0.034 0.000 0.837 108 N CB 0.039 38.554 38.487 0.046 0.000 1.069 108 N HN 0.162 nan 8.380 nan 0.000 0.487 109 F N 0.976 120.948 119.950 0.036 0.000 2.394 109 F HA 0.238 4.765 4.527 -0.000 0.000 0.340 109 F C -0.713 175.145 175.800 0.096 0.000 1.105 109 F CA -2.272 55.767 58.000 0.065 0.000 1.124 109 F CB 1.371 40.416 39.000 0.076 0.000 1.145 109 F HN 0.047 nan 8.300 nan 0.000 0.505 110 P HA -0.216 nan 4.420 nan 0.000 0.222 110 P C -0.045 177.430 177.300 0.292 0.000 1.142 110 P CA 1.776 65.002 63.100 0.210 0.000 0.788 110 P CB 0.162 31.942 31.700 0.133 0.000 0.767 111 H N -1.749 117.436 119.070 0.192 0.000 2.922 111 H HA 0.525 5.081 4.556 -0.000 0.000 0.219 111 H C 0.122 175.625 175.328 0.291 0.000 1.356 111 H CA -0.083 56.053 56.048 0.147 0.000 1.424 111 H CB 0.061 29.842 29.762 0.031 0.000 2.045 111 H HN -0.065 nan 8.280 nan 0.000 0.595 112 A N 1.088 124.072 122.820 0.273 0.000 2.470 112 A HA 0.199 4.519 4.320 -0.000 0.000 0.251 112 A C 1.445 179.084 177.584 0.091 0.000 1.245 112 A CA -0.082 52.151 52.037 0.327 0.000 0.932 112 A CB 0.236 19.407 19.000 0.284 0.000 1.037 112 A HN 0.612 nan 8.150 nan 0.000 0.522 113 E N 0.445 120.619 120.200 -0.044 0.000 2.012 113 E HA -0.007 4.343 4.350 -0.000 0.000 0.192 113 E C 0.328 176.880 176.600 -0.080 0.000 0.977 113 E CA 0.208 56.560 56.400 -0.079 0.000 0.832 113 E CB -0.165 29.460 29.700 -0.125 0.000 0.790 113 E HN 0.113 nan 8.360 nan 0.000 0.466 114 K N 2.376 122.687 120.400 -0.149 0.000 2.443 114 K HA -0.047 4.273 4.320 -0.000 0.000 0.268 114 K C 0.217 176.786 176.600 -0.052 0.000 0.971 114 K CA 0.188 56.415 56.287 -0.099 0.000 0.902 114 K CB -0.160 32.268 32.500 -0.121 0.000 0.950 114 K HN 0.317 nan 8.250 nan 0.000 0.525 115 N N 0.213 118.889 118.700 -0.040 0.000 2.381 115 N HA 0.090 4.830 4.740 -0.000 0.000 0.241 115 N C -0.355 175.145 175.510 -0.017 0.000 1.279 115 N CA -0.089 52.940 53.050 -0.034 0.000 0.896 115 N CB 0.298 38.772 38.487 -0.023 0.000 1.118 115 N HN 0.433 nan 8.380 nan 0.000 0.438 116 A N 0.636 123.460 122.820 0.006 0.000 2.299 116 A HA 0.727 5.047 4.320 -0.000 0.000 0.332 116 A C -0.171 177.425 177.584 0.021 0.000 1.131 116 A CA -0.863 51.210 52.037 0.059 0.000 0.844 116 A CB 0.754 19.869 19.000 0.192 0.000 1.251 116 A HN 0.690 nan 8.150 nan 0.000 0.486 117 I N 1.016 121.600 120.570 0.023 0.000 2.447 117 I HA 0.314 4.484 4.170 -0.000 0.000 0.287 117 I C -1.078 175.043 176.117 0.007 0.000 1.023 117 I CA -0.092 61.211 61.300 0.006 0.000 1.083 117 I CB 1.605 39.604 38.000 -0.001 0.000 1.245 117 I HN 0.408 nan 8.210 nan 0.000 0.434 118 L N 5.829 127.040 121.223 -0.020 0.000 2.298 118 L HA 0.456 4.796 4.340 -0.000 0.000 0.284 118 L C -0.285 176.551 176.870 -0.056 0.000 1.013 118 L CA -0.265 54.544 54.840 -0.052 0.000 0.824 118 L CB 1.794 43.789 42.059 -0.106 0.000 1.221 118 L HN 0.550 nan 8.230 nan 0.000 0.418 119 T N 4.657 119.197 114.554 -0.024 0.000 2.853 119 T HA 0.434 4.784 4.350 -0.000 0.000 0.317 119 T C -0.127 174.573 174.700 -0.001 0.000 1.059 119 T CA -0.285 61.818 62.100 0.004 0.000 0.954 119 T CB 0.305 69.258 68.868 0.142 0.000 0.994 119 T HN 0.136 nan 8.240 nan 0.000 0.479 120 I N 4.034 124.565 120.570 -0.064 0.000 2.287 120 I HA 0.267 4.437 4.170 -0.000 0.000 0.290 120 I C 0.448 176.559 176.117 -0.009 0.000 1.069 120 I CA -0.079 61.188 61.300 -0.054 0.000 1.237 120 I CB 0.773 38.717 38.000 -0.093 0.000 1.418 120 I HN 0.454 nan 8.210 nan 0.000 0.481 121 Q N 7.825 127.656 119.800 0.053 0.000 2.312 121 Q HA 0.495 4.835 4.340 -0.000 0.000 0.263 121 Q C -2.267 173.767 176.000 0.056 0.000 0.995 121 Q CA -1.854 54.011 55.803 0.102 0.000 0.853 121 Q CB 2.348 31.176 28.738 0.150 0.000 1.300 121 Q HN 0.314 nan 8.270 nan 0.000 0.448 122 P HA 0.219 nan 4.420 nan 0.000 0.275 122 P C -0.545 176.808 177.300 0.088 0.000 1.266 122 P CA 0.102 63.243 63.100 0.068 0.000 0.793 122 P CB 1.329 33.066 31.700 0.061 0.000 1.074 123 G N -1.206 107.667 108.800 0.123 0.000 3.255 123 G HA2 0.517 4.477 3.960 -0.000 0.000 0.161 123 G HA3 0.517 4.477 3.960 -0.000 0.000 0.161 123 G C -0.920 174.064 174.900 0.139 0.000 1.173 123 G CA 0.041 45.213 45.100 0.120 0.000 1.106 123 G HN 0.607 nan 8.290 nan 0.000 0.650 124 A N -0.646 122.268 122.820 0.158 0.000 2.477 124 A HA 0.550 4.870 4.320 -0.000 0.000 0.246 124 A C 1.276 179.019 177.584 0.265 0.000 1.078 124 A CA 1.454 53.610 52.037 0.200 0.000 0.770 124 A CB -0.144 18.902 19.000 0.077 0.000 1.011 124 A HN 2.568 nan 8.150 nan 0.000 0.494 125 G N 0.836 109.762 108.800 0.211 0.000 2.255 125 G HA2 0.228 4.188 3.960 -0.000 0.000 0.196 125 G HA3 0.228 4.188 3.960 -0.000 0.000 0.196 125 G C 1.679 176.614 174.900 0.057 0.000 0.998 125 G CA 0.711 45.886 45.100 0.125 0.000 0.656 125 G HN 2.682 nan 8.290 nan 0.000 0.490 126 G N 0.180 109.019 108.800 0.066 0.000 2.684 126 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.332 126 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.332 126 G C 1.367 176.237 174.900 -0.049 0.000 1.306 126 G CA 2.340 47.449 45.100 0.014 0.000 1.002 126 G HN 1.413 nan 8.290 nan 0.000 0.545 127 T N 0.683 115.173 114.554 -0.106 0.000 2.795 127 T HA -0.172 4.178 4.350 -0.000 0.000 0.266 127 T C 1.965 176.415 174.700 -0.416 0.000 1.056 127 T CA 2.395 64.341 62.100 -0.255 0.000 1.141 127 T CB -0.167 68.545 68.868 -0.261 0.000 0.840 127 T HN 0.595 nan 8.240 nan 0.000 0.493 128 E N 0.080 120.164 120.200 -0.194 0.000 2.079 128 E HA 0.140 4.490 4.350 -0.000 0.000 0.191 128 E C 2.557 179.175 176.600 0.032 0.000 0.961 128 E CA 0.523 56.895 56.400 -0.046 0.000 0.823 128 E CB -0.179 29.591 29.700 0.117 0.000 0.789 128 E HN 0.390 nan 8.360 nan 0.000 0.459 129 A N 0.799 123.652 122.820 0.055 0.000 1.997 129 A HA -0.261 4.059 4.320 -0.000 0.000 0.221 129 A C 2.350 180.025 177.584 0.152 0.000 1.172 129 A CA 1.721 53.847 52.037 0.149 0.000 0.645 129 A CB -1.074 18.016 19.000 0.150 0.000 0.813 129 A HN 0.524 nan 8.150 nan 0.000 0.454 130 C N -1.407 117.923 119.300 0.051 0.000 2.450 130 C HA -0.018 4.442 4.460 -0.000 0.000 0.279 130 C C 2.357 177.375 174.990 0.045 0.000 1.335 130 C CA 0.922 59.956 59.018 0.026 0.000 1.749 130 C CB -1.200 26.519 27.740 -0.034 0.000 1.963 130 C HN 0.764 nan 8.230 nan 0.000 0.501 131 D N -0.597 119.833 120.400 0.050 0.000 2.144 131 D HA -0.170 4.470 4.640 -0.000 0.000 0.200 131 D C 1.999 178.430 176.300 0.218 0.000 0.978 131 D CA 0.972 55.042 54.000 0.118 0.000 0.833 131 D CB -0.281 40.637 40.800 0.197 0.000 0.961 131 D HN 0.708 nan 8.370 nan 0.000 0.470 132 W N 0.817 122.096 121.300 -0.036 0.000 2.318 132 W HA -0.293 4.367 4.660 -0.000 0.000 0.313 132 W C 2.054 178.509 176.519 -0.107 0.000 1.221 132 W CA 1.172 58.467 57.345 -0.084 0.000 1.266 132 W CB -0.005 29.399 29.460 -0.094 0.000 1.150 132 W HN 0.065 nan 8.180 nan 0.000 0.496 133 A N -0.265 122.562 122.820 0.013 0.000 2.066 133 A HA -0.200 4.120 4.320 -0.000 0.000 0.218 133 A C 1.795 179.319 177.584 -0.099 0.000 1.157 133 A CA 1.492 53.432 52.037 -0.162 0.000 0.670 133 A CB -0.693 18.252 19.000 -0.092 0.000 0.804 133 A HN 0.303 nan 8.150 nan 0.000 0.453 134 E N -0.446 119.748 120.200 -0.009 0.000 2.358 134 E HA -0.035 4.315 4.350 -0.000 0.000 0.195 134 E C 1.710 178.307 176.600 -0.005 0.000 1.010 134 E CA 0.671 57.070 56.400 -0.002 0.000 0.856 134 E CB -0.110 29.610 29.700 0.033 0.000 0.795 134 E HN 0.730 nan 8.360 nan 0.000 0.504 135 M N -0.789 118.815 119.600 0.007 0.000 2.398 135 M HA 0.046 4.526 4.480 -0.000 0.000 0.261 135 M C 2.281 178.481 176.300 -0.167 0.000 1.125 135 M CA 0.462 55.763 55.300 0.002 0.000 1.183 135 M CB -0.215 32.489 32.600 0.173 0.000 1.322 135 M HN -0.017 nan 8.290 nan 0.000 0.467 136 L N 0.701 121.697 121.223 -0.379 0.000 2.349 136 L HA -0.201 4.139 4.340 -0.000 0.000 0.220 136 L C 2.328 178.972 176.870 -0.376 0.000 1.130 136 L CA 0.803 55.251 54.840 -0.653 0.000 0.791 136 L CB -0.497 40.991 42.059 -0.952 0.000 0.918 136 L HN 0.354 nan 8.230 nan 0.000 0.444 137 L N 0.161 121.275 121.223 -0.183 0.000 2.034 137 L HA -0.170 4.170 4.340 -0.000 0.000 0.203 137 L C 2.905 179.756 176.870 -0.033 0.000 1.074 137 L CA 1.158 55.968 54.840 -0.048 0.000 0.748 137 L CB -0.148 41.881 42.059 -0.050 0.000 0.905 137 L HN 0.254 nan 8.230 nan 0.000 0.439 138 R N -0.483 119.986 120.500 -0.052 0.000 2.159 138 R HA -0.232 4.108 4.340 -0.000 0.000 0.237 138 R C 2.118 178.389 176.300 -0.047 0.000 1.131 138 R CA 1.789 57.874 56.100 -0.024 0.000 0.982 138 R CB -0.764 29.526 30.300 -0.016 0.000 0.868 138 R HN 0.414 nan 8.270 nan 0.000 0.453 139 M N 0.311 119.812 119.600 -0.164 0.000 2.117 139 M HA -0.131 4.349 4.480 -0.000 0.000 0.262 139 M C 0.972 177.130 176.300 -0.238 0.000 1.065 139 M CA 1.684 56.817 55.300 -0.278 0.000 1.114 139 M CB 0.096 32.358 32.600 -0.564 0.000 1.361 139 M HN 0.138 nan 8.290 nan 0.000 0.408 140 Y N -0.241 120.058 120.300 -0.001 0.000 2.523 140 Y HA 0.065 4.614 4.550 -0.000 0.000 0.279 140 Y C 2.359 178.357 175.900 0.163 0.000 1.139 140 Y CA 0.957 59.111 58.100 0.090 0.000 1.296 140 Y CB -0.898 37.565 38.460 0.004 0.000 1.045 140 Y HN 0.271 nan 8.280 nan 0.000 0.538 141 T N -0.539 114.135 114.554 0.199 0.000 2.732 141 T HA -0.097 4.253 4.350 -0.000 0.000 0.261 141 T C 1.997 176.786 174.700 0.149 0.000 1.040 141 T CA 1.231 63.420 62.100 0.149 0.000 1.145 141 T CB -0.064 68.851 68.868 0.078 0.000 0.866 141 T HN 0.235 nan 8.240 nan 0.000 0.427 142 R N 0.206 120.785 120.500 0.132 0.000 2.073 142 R HA 0.000 4.340 4.340 -0.000 0.000 0.234 142 R C 2.216 178.618 176.300 0.169 0.000 1.134 142 R CA 1.377 57.546 56.100 0.116 0.000 0.952 142 R CB -0.688 29.665 30.300 0.089 0.000 0.850 142 R HN 0.322 nan 8.270 nan 0.000 0.433 143 F N 1.710 121.719 119.950 0.098 0.000 2.045 143 F HA -0.334 4.193 4.527 -0.000 0.000 0.297 143 F C 2.159 178.079 175.800 0.201 0.000 1.114 143 F CA 1.937 60.027 58.000 0.150 0.000 1.207 143 F CB -0.662 38.462 39.000 0.208 0.000 0.964 143 F HN 0.026 nan 8.300 nan 0.000 0.486 144 A N -0.716 122.155 122.820 0.084 0.000 2.119 144 A HA -0.091 4.229 4.320 -0.000 0.000 0.217 144 A C 1.972 179.604 177.584 0.080 0.000 1.153 144 A CA 1.420 53.523 52.037 0.111 0.000 0.692 144 A CB -0.768 18.388 19.000 0.260 0.000 0.799 144 A HN 0.658 nan 8.150 nan 0.000 0.458 145 E N -0.981 119.242 120.200 0.038 0.000 2.479 145 E HA 0.036 4.386 4.350 -0.000 0.000 0.193 145 E C 1.827 178.390 176.600 -0.062 0.000 1.049 145 E CA -0.086 56.314 56.400 0.001 0.000 0.870 145 E CB 0.182 29.901 29.700 0.032 0.000 0.944 145 E HN 0.555 nan 8.360 nan 0.000 0.492 146 R N 0.004 120.443 120.500 -0.101 0.000 2.103 146 R HA 0.050 4.390 4.340 -0.000 0.000 0.212 146 R C 1.677 177.843 176.300 -0.224 0.000 1.107 146 R CA 0.407 56.439 56.100 -0.113 0.000 1.025 146 R CB -0.012 30.257 30.300 -0.051 0.000 0.929 146 R HN -0.055 nan 8.270 nan 0.000 0.456 147 Q N -0.090 119.484 119.800 -0.377 0.000 2.541 147 Q HA 0.022 4.362 4.340 -0.000 0.000 0.215 147 Q C 0.942 176.463 176.000 -0.798 0.000 0.977 147 Q CA 1.193 56.642 55.803 -0.590 0.000 0.934 147 Q CB 0.209 28.482 28.738 -0.776 0.000 0.988 147 Q HN 0.663 nan 8.270 nan 0.000 0.521 148 G N -1.591 106.872 108.800 -0.561 0.000 2.349 148 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.213 148 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.213 148 G C -0.036 174.692 174.900 -0.287 0.000 1.044 148 G CA -0.231 44.621 45.100 -0.413 0.000 0.633 148 G HN 0.238 nan 8.290 nan 0.000 0.506 149 F N 2.303 122.207 119.950 -0.077 0.000 2.657 149 F HA 0.425 4.952 4.527 -0.000 0.000 0.354 149 F C 1.092 176.872 175.800 -0.034 0.000 1.148 149 F CA 0.870 58.837 58.000 -0.055 0.000 1.368 149 F CB 0.259 39.218 39.000 -0.069 0.000 1.036 149 F HN 0.438 nan 8.300 nan 0.000 0.619 150 Q N 0.513 120.423 119.800 0.182 0.000 2.241 150 Q HA 0.746 5.086 4.340 -0.000 0.000 0.262 150 Q C -1.500 174.553 176.000 0.089 0.000 1.014 150 Q CA -0.860 55.001 55.803 0.097 0.000 0.885 150 Q CB 1.944 30.720 28.738 0.064 0.000 1.311 150 Q HN 0.509 nan 8.270 nan 0.000 0.461 151 V N 1.159 121.110 119.914 0.062 0.000 2.864 151 V HA 0.483 4.603 4.120 -0.000 0.000 0.314 151 V C -1.064 175.049 176.094 0.032 0.000 1.073 151 V CA -0.729 61.601 62.300 0.050 0.000 0.956 151 V CB 1.813 33.669 31.823 0.054 0.000 1.023 151 V HN 0.876 nan 8.190 nan 0.000 0.435 152 E N 1.690 121.903 120.200 0.023 0.000 2.502 152 E HA 0.304 4.654 4.350 -0.000 0.000 0.261 152 E C -1.373 175.229 176.600 0.003 0.000 0.974 152 E CA -0.455 55.953 56.400 0.013 0.000 0.795 152 E CB 2.054 31.762 29.700 0.013 0.000 1.385 152 E HN 0.549 nan 8.360 nan 0.000 0.400 153 V N 6.801 126.714 119.914 -0.001 0.000 2.266 153 V HA -0.011 4.109 4.120 -0.000 0.000 0.240 153 V C 1.070 177.154 176.094 -0.018 0.000 1.225 153 V CA 0.437 62.727 62.300 -0.016 0.000 1.237 153 V CB 0.065 31.878 31.823 -0.016 0.000 1.343 153 V HN 0.698 nan 8.190 nan 0.000 0.496 154 V N 4.392 124.294 119.914 -0.019 0.000 2.324 154 V HA -0.100 4.020 4.120 -0.000 0.000 0.250 154 V C 1.016 177.107 176.094 -0.005 0.000 1.060 154 V CA 2.215 64.511 62.300 -0.006 0.000 1.042 154 V CB -0.429 31.395 31.823 0.003 0.000 0.650 154 V HN 0.958 nan 8.190 nan 0.000 0.450 155 D N -2.260 118.113 120.400 -0.045 0.000 2.623 155 D HA 0.565 5.205 4.640 -0.000 0.000 0.241 155 D C -1.485 174.746 176.300 -0.116 0.000 1.241 155 D CA -0.395 53.581 54.000 -0.040 0.000 0.788 155 D CB 2.191 43.014 40.800 0.038 0.000 1.413 155 D HN 0.050 nan 8.370 nan 0.000 0.429 156 L N 1.522 122.707 121.223 -0.063 0.000 2.905 156 L HA 0.517 4.857 4.340 -0.000 0.000 0.260 156 L C -1.956 174.908 176.870 -0.010 0.000 0.933 156 L CA -0.089 54.709 54.840 -0.071 0.000 1.034 156 L CB 1.806 43.830 42.059 -0.058 0.000 1.550 156 L HN 0.425 nan 8.230 nan 0.000 0.480 157 T N 5.654 120.214 114.554 0.011 0.000 2.921 157 T HA 0.635 4.985 4.350 -0.000 0.000 0.297 157 T C -2.483 172.235 174.700 0.029 0.000 1.013 157 T CA -1.362 60.759 62.100 0.036 0.000 0.990 157 T CB 1.877 70.789 68.868 0.073 0.000 1.023 157 T HN 0.538 nan 8.240 nan 0.000 0.447 158 P HA 0.542 nan 4.420 nan 0.000 0.285 158 P C 0.617 177.922 177.300 0.009 0.000 1.372 158 P CA 0.614 63.720 63.100 0.010 0.000 0.764 158 P CB 0.262 31.966 31.700 0.008 0.000 1.744 159 G N -1.755 107.046 108.800 0.001 0.000 2.455 159 G HA2 0.206 4.166 3.960 -0.000 0.000 0.223 159 G HA3 0.206 4.166 3.960 -0.000 0.000 0.223 159 G C -2.167 172.725 174.900 -0.012 0.000 1.226 159 G CA 0.016 45.114 45.100 -0.004 0.000 0.948 159 G HN 0.385 nan 8.290 nan 0.000 0.478 160 P HA 0.178 nan 4.420 nan 0.000 0.196 160 P C 1.075 178.355 177.300 -0.033 0.000 1.105 160 P CA 1.234 64.320 63.100 -0.024 0.000 0.866 160 P CB 0.088 31.773 31.700 -0.026 0.000 0.706 161 E N 0.312 120.474 120.200 -0.063 0.000 2.011 161 E HA 0.252 4.602 4.350 -0.000 0.000 0.191 161 E C 0.651 177.183 176.600 -0.113 0.000 0.979 161 E CA 0.883 57.235 56.400 -0.079 0.000 0.822 161 E CB -0.139 29.490 29.700 -0.118 0.000 0.782 161 E HN 0.370 nan 8.360 nan 0.000 0.459 162 A N -0.962 121.709 122.820 -0.248 0.000 2.589 162 A HA 0.592 4.912 4.320 -0.000 0.000 0.296 162 A C -0.022 177.410 177.584 -0.253 0.000 1.062 162 A CA -0.013 51.873 52.037 -0.252 0.000 0.686 162 A CB 1.682 20.473 19.000 -0.349 0.000 1.282 162 A HN 0.352 nan 8.150 nan 0.000 0.404 163 G N 0.028 108.771 108.800 -0.095 0.000 2.145 163 G HA2 0.366 4.326 3.960 -0.000 0.000 0.203 163 G HA3 0.366 4.326 3.960 -0.000 0.000 0.203 163 G C -0.449 174.444 174.900 -0.012 0.000 1.096 163 G CA 0.260 45.334 45.100 -0.044 0.000 1.282 163 G HN 2.179 nan 8.290 nan 0.000 0.474 164 I N 0.071 120.633 120.570 -0.013 0.000 2.718 164 I HA 0.324 4.494 4.170 -0.000 0.000 0.287 164 I C -0.173 175.952 176.117 0.014 0.000 1.645 164 I CA -0.321 60.978 61.300 -0.002 0.000 1.030 164 I CB 1.855 39.849 38.000 -0.010 0.000 1.470 164 I HN 0.634 nan 8.210 nan 0.000 0.455 165 D N 4.551 124.972 120.400 0.036 0.000 2.214 165 D HA -0.031 4.609 4.640 -0.000 0.000 0.217 165 D C -0.854 175.534 176.300 0.147 0.000 0.973 165 D CA 1.439 55.482 54.000 0.071 0.000 0.880 165 D CB 0.459 41.302 40.800 0.071 0.000 1.031 165 D HN 0.405 nan 8.370 nan 0.000 0.468 166 Y N -0.130 120.164 120.300 -0.009 0.000 2.441 166 Y HA 0.516 5.066 4.550 -0.000 0.000 0.334 166 Y C -1.752 174.144 175.900 -0.007 0.000 1.061 166 Y CA -1.165 56.929 58.100 -0.009 0.000 1.032 166 Y CB 1.688 40.144 38.460 -0.007 0.000 1.266 166 Y HN 0.010 nan 8.280 nan 0.000 0.441 167 A N 6.501 128.948 122.820 -0.622 0.000 2.385 167 A HA 0.564 4.884 4.320 -0.000 0.000 0.290 167 A C -1.598 175.594 177.584 -0.654 0.000 1.094 167 A CA -0.664 51.048 52.037 -0.542 0.000 0.729 167 A CB 1.343 20.202 19.000 -0.236 0.000 1.194 167 A HN 0.710 nan 8.150 nan 0.000 0.442 168 Q N 2.865 122.280 119.800 -0.640 0.000 2.333 168 Q HA 0.790 5.130 4.340 -0.000 0.000 0.267 168 Q C -1.617 174.284 176.000 -0.165 0.000 1.012 168 Q CA -0.483 55.102 55.803 -0.363 0.000 0.824 168 Q CB 1.349 29.927 28.738 -0.267 0.000 1.290 168 Q HN 0.742 nan 8.270 nan 0.000 0.449 169 I N 2.935 123.450 120.570 -0.092 0.000 2.894 169 I HA 0.389 4.559 4.170 -0.000 0.000 0.302 169 I C -1.438 174.668 176.117 -0.018 0.000 1.188 169 I CA -1.199 60.074 61.300 -0.045 0.000 1.014 169 I CB 2.235 40.218 38.000 -0.030 0.000 1.242 169 I HN 0.514 nan 8.210 nan 0.000 0.430 170 L N 5.512 126.733 121.223 -0.005 0.000 2.325 170 L HA 0.711 5.051 4.340 -0.000 0.000 0.281 170 L C -1.256 175.620 176.870 0.010 0.000 1.004 170 L CA -0.429 54.412 54.840 0.002 0.000 0.823 170 L CB 1.635 43.696 42.059 0.003 0.000 1.236 170 L HN 0.330 nan 8.230 nan 0.000 0.415 171 V N 5.434 125.351 119.914 0.006 0.000 2.540 171 V HA 0.575 4.695 4.120 -0.000 0.000 0.302 171 V C -0.003 176.080 176.094 -0.019 0.000 1.035 171 V CA -0.683 61.624 62.300 0.012 0.000 0.873 171 V CB 1.706 33.541 31.823 0.019 0.000 0.992 171 V HN 0.814 nan 8.190 nan 0.000 0.428 172 K N 1.896 122.307 120.400 0.019 0.000 2.727 172 K HA 0.889 5.209 4.320 -0.000 0.000 0.299 172 K C 0.389 177.028 176.600 0.064 0.000 0.996 172 K CA 0.124 56.423 56.287 0.019 0.000 1.212 172 K CB 0.391 32.919 32.500 0.046 0.000 1.529 172 K HN 1.259 nan 8.250 nan 0.000 0.646 173 G N 1.098 109.991 108.800 0.155 0.000 3.322 173 G HA2 -0.155 3.805 3.960 -0.000 0.000 0.686 173 G HA3 -0.155 3.805 3.960 -0.000 0.000 0.686 173 G C -1.078 173.988 174.900 0.277 0.000 1.015 173 G CA -0.725 44.609 45.100 0.389 0.000 0.826 173 G HN 0.402 nan 8.290 nan 0.000 0.538 174 E N 1.653 121.988 120.200 0.226 0.000 3.048 174 E HA -0.112 4.238 4.350 -0.000 0.000 0.280 174 E C 0.894 177.574 176.600 0.133 0.000 0.905 174 E CA 0.884 57.370 56.400 0.143 0.000 0.977 174 E CB 0.191 29.964 29.700 0.121 0.000 0.954 174 E HN 0.633 nan 8.360 nan 0.000 0.500 175 N N 1.056 119.766 118.700 0.017 0.000 2.652 175 N HA -0.268 4.472 4.740 -0.000 0.000 0.281 175 N C -0.110 175.328 175.510 -0.120 0.000 1.084 175 N CA 0.770 53.792 53.050 -0.047 0.000 0.775 175 N CB -0.466 37.965 38.487 -0.093 0.000 0.923 175 N HN 0.623 nan 8.380 nan 0.000 0.558 176 A N 1.160 123.861 122.820 -0.198 0.000 1.909 176 A HA -0.028 4.291 4.320 -0.000 0.000 0.210 176 A C 1.825 179.325 177.584 -0.140 0.000 1.273 176 A CA 0.586 52.371 52.037 -0.420 0.000 0.654 176 A CB -0.561 18.146 19.000 -0.487 0.000 0.945 176 A HN 0.498 nan 8.150 nan 0.000 0.471 177 Y N 1.619 121.851 120.300 -0.113 0.000 2.151 177 Y HA -0.175 4.375 4.550 -0.000 0.000 0.284 177 Y C 2.345 178.305 175.900 0.099 0.000 1.166 177 Y CA 1.508 59.606 58.100 -0.004 0.000 1.163 177 Y CB -0.869 37.613 38.460 0.036 0.000 0.974 177 Y HN 0.223 nan 8.280 nan 0.000 0.511 178 G N -0.338 108.475 108.800 0.021 0.000 2.499 178 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.221 178 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.221 178 G C 1.349 176.251 174.900 0.005 0.000 1.109 178 G CA 1.264 46.372 45.100 0.013 0.000 0.749 178 G HN 0.411 nan 8.290 nan 0.000 0.568 179 L N -0.648 120.578 121.223 0.005 0.000 2.354 179 L HA 0.344 4.684 4.340 -0.000 0.000 0.212 179 L C 2.412 179.366 176.870 0.141 0.000 1.091 179 L CA 0.749 55.673 54.840 0.141 0.000 0.828 179 L CB -0.100 42.111 42.059 0.253 0.000 0.973 179 L HN 0.141 nan 8.230 nan 0.000 0.461 180 L N -2.071 119.168 121.223 0.028 0.000 2.616 180 L HA 0.114 4.454 4.340 -0.000 0.000 0.229 180 L C 2.171 178.961 176.870 -0.133 0.000 1.110 180 L CA 0.007 54.826 54.840 -0.036 0.000 0.884 180 L CB -0.068 41.979 42.059 -0.019 0.000 1.115 180 L HN 0.094 nan 8.230 nan 0.000 0.481 181 S N 1.136 116.656 115.700 -0.300 0.000 2.359 181 S HA -0.092 4.378 4.470 -0.000 0.000 0.224 181 S C -0.449 174.067 174.600 -0.140 0.000 1.035 181 S CA 1.551 59.495 58.200 -0.426 0.000 1.018 181 S CB -1.033 61.700 63.200 -0.777 0.000 0.876 181 S HN 0.364 nan 8.310 nan 0.000 0.448 182 P HA -0.110 nan 4.420 nan 0.000 0.215 182 P C 0.176 177.506 177.300 0.051 0.000 1.157 182 P CA 1.085 64.216 63.100 0.052 0.000 0.868 182 P CB -0.126 31.644 31.700 0.115 0.000 0.788 183 E N 0.731 120.950 120.200 0.031 0.000 2.614 183 E HA 0.310 4.660 4.350 -0.000 0.000 0.321 183 E C 0.091 176.723 176.600 0.053 0.000 1.354 183 E CA 0.030 56.479 56.400 0.081 0.000 1.469 183 E CB -0.846 28.868 29.700 0.024 0.000 1.197 183 E HN 0.207 nan 8.360 nan 0.000 0.497 184 A N 0.653 123.501 122.820 0.046 0.000 2.340 184 A HA 0.748 5.068 4.320 -0.000 0.000 0.297 184 A C 0.390 177.984 177.584 0.016 0.000 1.195 184 A CA 0.031 52.091 52.037 0.038 0.000 0.769 184 A CB 1.376 20.393 19.000 0.028 0.000 1.163 184 A HN 0.379 nan 8.150 nan 0.000 0.472 185 G N -0.287 108.517 108.800 0.008 0.000 2.350 185 G HA2 0.444 4.404 3.960 -0.000 0.000 0.276 185 G HA3 0.444 4.404 3.960 -0.000 0.000 0.276 185 G C -1.627 173.233 174.900 -0.066 0.000 1.313 185 G CA -0.048 45.024 45.100 -0.046 0.000 0.903 185 G HN 1.180 nan 8.290 nan 0.000 0.490 186 V N 1.403 121.269 119.914 -0.079 0.000 2.370 186 V HA 0.558 4.678 4.120 -0.000 0.000 0.283 186 V C -0.493 175.568 176.094 -0.054 0.000 1.023 186 V CA -0.632 61.680 62.300 0.020 0.000 0.857 186 V CB 0.978 32.870 31.823 0.116 0.000 0.985 186 V HN 0.674 nan 8.190 nan 0.000 0.443 187 H N 3.494 122.605 119.070 0.068 0.000 2.489 187 H HA 0.590 5.146 4.556 -0.000 0.000 0.322 187 H C 0.128 175.648 175.328 0.321 0.000 1.091 187 H CA -0.411 55.733 56.048 0.160 0.000 1.291 187 H CB 0.783 30.512 29.762 -0.055 0.000 1.436 187 H HN 0.524 nan 8.280 nan 0.000 0.480 188 R N 2.837 123.578 120.500 0.400 0.000 2.598 188 R HA 0.605 4.945 4.340 -0.000 0.000 0.279 188 R C -1.311 175.014 176.300 0.042 0.000 0.984 188 R CA -0.940 55.183 56.100 0.039 0.000 0.999 188 R CB 1.018 31.130 30.300 -0.313 0.000 1.114 188 R HN 0.683 nan 8.270 nan 0.000 0.493 189 L N 3.023 123.921 121.223 -0.541 0.000 2.422 189 L HA 0.580 4.920 4.340 -0.000 0.000 0.264 189 L C -1.763 174.747 176.870 -0.599 0.000 0.984 189 L CA -0.820 53.502 54.840 -0.864 0.000 0.819 189 L CB 2.412 43.234 42.059 -2.062 0.000 1.330 189 L HN 0.393 nan 8.230 nan 0.000 0.410 190 V N 3.912 123.562 119.914 -0.440 0.000 2.482 190 V HA 0.741 4.861 4.120 -0.000 0.000 0.295 190 V C -0.756 175.198 176.094 -0.233 0.000 1.026 190 V CA -0.430 61.702 62.300 -0.281 0.000 0.856 190 V CB 1.548 33.256 31.823 -0.192 0.000 1.001 190 V HN 0.951 nan 8.190 nan 0.000 0.424 191 R N 4.264 124.658 120.500 -0.177 0.000 2.728 191 R HA 0.661 5.001 4.340 -0.000 0.000 0.274 191 R C -3.468 172.785 176.300 -0.077 0.000 1.030 191 R CA -1.866 54.154 56.100 -0.133 0.000 0.876 191 R CB 0.562 30.761 30.300 -0.169 0.000 1.259 191 R HN 0.289 nan 8.270 nan 0.000 0.468 192 P HA 0.092 nan 4.420 nan 0.000 0.269 192 P C -0.652 176.626 177.300 -0.038 0.000 1.252 192 P CA -0.052 63.018 63.100 -0.050 0.000 0.780 192 P CB 1.022 32.686 31.700 -0.059 0.000 0.829 193 S N 5.671 121.401 115.700 0.050 0.000 2.571 193 S HA 0.050 4.520 4.470 -0.000 0.000 0.297 193 S C -1.237 173.324 174.600 -0.066 0.000 1.234 193 S CA -0.882 57.373 58.200 0.091 0.000 1.120 193 S CB -0.147 63.262 63.200 0.348 0.000 0.923 193 S HN 0.246 nan 8.310 nan 0.000 0.504 194 P HA -0.030 nan 4.420 nan 0.000 0.216 194 P C 0.211 177.240 177.300 -0.451 0.000 1.153 194 P CA 1.040 63.820 63.100 -0.535 0.000 0.848 194 P CB -0.012 31.104 31.700 -0.973 0.000 0.787 195 F N -0.299 119.666 119.950 0.025 0.000 2.818 195 F HA 0.188 4.715 4.527 -0.000 0.000 0.303 195 F C 0.791 176.613 175.800 0.035 0.000 1.250 195 F CA -0.030 57.984 58.000 0.022 0.000 1.409 195 F CB -0.881 38.124 39.000 0.010 0.000 1.183 195 F HN -0.058 nan 8.300 nan 0.000 0.534 196 D N -0.298 120.170 120.400 0.113 0.000 2.596 196 D HA 0.514 5.154 4.640 -0.000 0.000 0.234 196 D C 0.408 176.749 176.300 0.067 0.000 1.181 196 D CA -0.300 53.774 54.000 0.124 0.000 0.856 196 D CB 2.277 43.190 40.800 0.189 0.000 1.498 196 D HN 0.081 nan 8.370 nan 0.000 0.446 197 A N 1.249 124.108 122.820 0.066 0.000 1.878 197 A HA 0.006 4.326 4.320 -0.000 0.000 0.213 197 A C 1.920 179.519 177.584 0.026 0.000 1.192 197 A CA 1.152 53.212 52.037 0.040 0.000 0.619 197 A CB -0.235 18.790 19.000 0.040 0.000 0.837 197 A HN 0.471 nan 8.150 nan 0.000 0.446 198 S N -1.425 114.294 115.700 0.033 0.000 2.428 198 S HA 0.274 4.744 4.470 -0.000 0.000 0.230 198 S C 1.490 176.091 174.600 0.002 0.000 1.014 198 S CA 1.026 59.235 58.200 0.015 0.000 0.957 198 S CB -0.094 63.114 63.200 0.014 0.000 0.784 198 S HN 1.680 nan 8.310 nan 0.000 0.499 199 G N 2.134 110.942 108.800 0.014 0.000 2.136 199 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.242 199 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.242 199 G C 0.005 174.888 174.900 -0.028 0.000 0.989 199 G CA -0.129 44.968 45.100 -0.004 0.000 0.682 199 G HN 0.480 nan 8.290 nan 0.000 0.522 200 R N -0.533 119.936 120.500 -0.052 0.000 2.862 200 R HA 0.188 4.528 4.340 -0.000 0.000 0.267 200 R C 1.009 177.171 176.300 -0.231 0.000 0.995 200 R CA 0.193 56.194 56.100 -0.165 0.000 1.140 200 R CB 0.385 30.520 30.300 -0.275 0.000 1.031 200 R HN 0.369 nan 8.270 nan 0.000 0.459 201 R N 1.671 122.035 120.500 -0.226 0.000 2.347 201 R HA 0.051 4.391 4.340 -0.000 0.000 0.304 201 R C -0.593 175.557 176.300 -0.250 0.000 1.072 201 R CA 0.086 56.090 56.100 -0.161 0.000 0.980 201 R CB 0.345 30.590 30.300 -0.091 0.000 0.986 201 R HN 0.533 nan 8.270 nan 0.000 0.448 202 H N 1.168 120.231 119.070 -0.012 0.000 2.797 202 H HA 0.371 4.927 4.556 -0.000 0.000 0.372 202 H C -0.485 174.789 175.328 -0.090 0.000 1.168 202 H CA -0.501 55.548 56.048 0.003 0.000 1.163 202 H CB 2.422 32.206 29.762 0.035 0.000 1.778 202 H HN 0.552 nan 8.280 nan 0.000 0.551 203 T N 0.724 115.322 114.554 0.073 0.000 2.940 203 T HA 0.586 4.936 4.350 -0.000 0.000 0.288 203 T C -0.394 174.121 174.700 -0.309 0.000 1.033 203 T CA -0.701 61.246 62.100 -0.254 0.000 1.033 203 T CB 1.376 69.983 68.868 -0.434 0.000 1.079 203 T HN 0.447 nan 8.240 nan 0.000 0.496 204 S N 0.457 115.838 115.700 -0.530 0.000 2.533 204 S HA 0.696 5.166 4.470 -0.000 0.000 0.271 204 S C -1.662 172.754 174.600 -0.306 0.000 1.143 204 S CA -0.730 57.303 58.200 -0.278 0.000 0.891 204 S CB 0.833 63.920 63.200 -0.187 0.000 1.105 204 S HN 0.514 nan 8.310 nan 0.000 0.468 205 F N 1.285 121.271 119.950 0.060 0.000 2.532 205 F HA 0.873 5.400 4.527 -0.000 0.000 0.321 205 F C 0.254 176.144 175.800 0.149 0.000 1.089 205 F CA -0.611 57.461 58.000 0.119 0.000 0.926 205 F CB 1.994 40.961 39.000 -0.055 0.000 1.168 205 F HN 0.732 nan 8.300 nan 0.000 0.459 206 A N 1.149 124.119 122.820 0.250 0.000 2.555 206 A HA 0.712 5.032 4.320 -0.000 0.000 0.297 206 A C -0.772 176.840 177.584 0.047 0.000 1.060 206 A CA -0.443 51.636 52.037 0.070 0.000 0.710 206 A CB 0.947 19.883 19.000 -0.106 0.000 1.282 206 A HN 1.044 nan 8.150 nan 0.000 0.399 207 G N -0.195 108.643 108.800 0.062 0.000 2.412 207 G HA2 0.581 4.541 3.960 -0.000 0.000 0.318 207 G HA3 0.581 4.541 3.960 -0.000 0.000 0.318 207 G C -0.957 173.980 174.900 0.062 0.000 1.146 207 G CA -0.514 44.637 45.100 0.085 0.000 0.882 207 G HN 1.187 nan 8.290 nan 0.000 0.501 208 V N 1.858 121.835 119.914 0.105 0.000 2.380 208 V HA 0.289 4.409 4.120 -0.000 0.000 0.286 208 V C -0.490 175.622 176.094 0.031 0.000 1.015 208 V CA -0.711 61.613 62.300 0.040 0.000 0.834 208 V CB 1.047 32.891 31.823 0.035 0.000 1.009 208 V HN 0.827 nan 8.190 nan 0.000 0.428 209 E N 3.159 123.369 120.200 0.017 0.000 2.248 209 E HA 0.734 5.084 4.350 -0.000 0.000 0.272 209 E C -0.956 175.659 176.600 0.025 0.000 1.008 209 E CA -0.603 55.816 56.400 0.032 0.000 0.856 209 E CB 2.260 31.988 29.700 0.046 0.000 1.120 209 E HN 0.428 nan 8.360 nan 0.000 0.397 210 V N 3.025 122.983 119.914 0.073 0.000 2.509 210 V HA 0.394 4.514 4.120 -0.000 0.000 0.289 210 V C -0.710 175.528 176.094 0.239 0.000 1.026 210 V CA -0.724 61.666 62.300 0.149 0.000 0.872 210 V CB 0.308 32.232 31.823 0.169 0.000 1.017 210 V HN 0.595 nan 8.190 nan 0.000 0.436 211 I N 2.681 123.297 120.570 0.077 0.000 2.534 211 I HA 0.702 4.872 4.170 -0.000 0.000 0.288 211 I C -2.771 173.199 176.117 -0.245 0.000 1.077 211 I CA -2.381 58.847 61.300 -0.120 0.000 1.051 211 I CB 2.958 40.914 38.000 -0.072 0.000 1.234 211 I HN 0.334 nan 8.210 nan 0.000 0.425 212 P HA 0.036 nan 4.420 nan 0.000 0.271 212 P C -0.558 176.669 177.300 -0.123 0.000 1.216 212 P CA 0.053 62.937 63.100 -0.359 0.000 0.776 212 P CB 0.985 32.377 31.700 -0.514 0.000 0.881 213 E N 2.391 122.558 120.200 -0.055 0.000 1.985 213 E HA 0.111 4.461 4.350 -0.000 0.000 0.268 213 E C 0.049 176.675 176.600 0.043 0.000 1.219 213 E CA -0.395 55.998 56.400 -0.012 0.000 0.942 213 E CB 0.269 29.965 29.700 -0.008 0.000 1.045 213 E HN 0.182 nan 8.360 nan 0.000 0.413 214 V N 3.821 123.764 119.914 0.047 0.000 4.825 214 V HA 0.076 4.196 4.120 -0.000 0.000 0.171 214 V C -0.028 176.091 176.094 0.043 0.000 1.220 214 V CA 0.385 62.746 62.300 0.101 0.000 1.426 214 V CB 0.635 32.429 31.823 -0.047 0.000 1.936 214 V HN 0.810 nan 8.190 nan 0.000 0.388 215 D N -0.371 120.030 120.400 0.002 0.000 2.525 215 D HA 0.046 4.686 4.640 -0.000 0.000 0.235 215 D C 0.713 177.019 176.300 0.011 0.000 1.137 215 D CA 1.109 55.112 54.000 0.005 0.000 0.868 215 D CB 0.861 41.655 40.800 -0.009 0.000 1.180 215 D HN 0.534 nan 8.370 nan 0.000 0.465 216 E N 1.638 121.848 120.200 0.017 0.000 2.756 216 E HA 0.047 4.397 4.350 -0.000 0.000 0.192 216 E C 0.193 176.806 176.600 0.021 0.000 1.022 216 E CA -0.500 55.910 56.400 0.018 0.000 1.224 216 E CB -0.043 29.668 29.700 0.017 0.000 1.252 216 E HN 0.459 nan 8.360 nan 0.000 0.494 217 E N 1.330 121.541 120.200 0.019 0.000 2.556 217 E HA -0.070 4.280 4.350 -0.000 0.000 0.273 217 E C -0.512 176.104 176.600 0.026 0.000 1.123 217 E CA 0.494 56.905 56.400 0.017 0.000 1.033 217 E CB 0.927 30.635 29.700 0.013 0.000 1.025 217 E HN 0.001 nan 8.360 nan 0.000 0.465 218 V N 2.594 122.518 119.914 0.016 0.000 2.380 218 V HA 0.245 4.365 4.120 -0.000 0.000 0.268 218 V C -0.874 175.204 176.094 -0.028 0.000 1.008 218 V CA -0.214 62.096 62.300 0.016 0.000 0.823 218 V CB 0.910 32.742 31.823 0.015 0.000 1.053 218 V HN 0.561 nan 8.190 nan 0.000 0.446 219 E N 4.757 124.945 120.200 -0.019 0.000 2.366 219 E HA 0.629 4.979 4.350 -0.000 0.000 0.278 219 E C -2.144 174.439 176.600 -0.030 0.000 0.923 219 E CA -0.524 55.851 56.400 -0.042 0.000 0.761 219 E CB 2.617 32.304 29.700 -0.021 0.000 1.231 219 E HN 0.390 nan 8.360 nan 0.000 0.443 220 V N 3.012 122.894 119.914 -0.054 0.000 2.818 220 V HA 0.143 4.263 4.120 -0.000 0.000 0.256 220 V C -0.529 175.547 176.094 -0.029 0.000 0.925 220 V CA -0.758 61.526 62.300 -0.025 0.000 0.908 220 V CB 1.368 33.174 31.823 -0.028 0.000 1.052 220 V HN 0.484 nan 8.190 nan 0.000 0.498 221 V N 5.285 125.193 119.914 -0.010 0.000 2.221 221 V HA 0.245 4.365 4.120 -0.000 0.000 0.258 221 V C 0.476 176.578 176.094 0.013 0.000 1.179 221 V CA -0.301 61.995 62.300 -0.007 0.000 1.022 221 V CB 0.825 32.644 31.823 -0.006 0.000 1.228 221 V HN 0.569 nan 8.190 nan 0.000 0.487 222 L N 4.586 125.820 121.223 0.018 0.000 2.505 222 L HA 0.184 4.524 4.340 -0.000 0.000 0.279 222 L C 0.974 177.872 176.870 0.045 0.000 1.211 222 L CA 0.600 55.471 54.840 0.052 0.000 1.059 222 L CB -1.115 40.974 42.059 0.051 0.000 1.340 222 L HN 0.544 nan 8.230 nan 0.000 0.447 223 K N 4.030 124.453 120.400 0.038 0.000 2.489 223 K HA 0.032 4.352 4.320 -0.000 0.000 0.278 223 K C -1.569 175.052 176.600 0.036 0.000 1.000 223 K CA -1.301 55.002 56.287 0.027 0.000 1.012 223 K CB 0.369 32.881 32.500 0.019 0.000 0.903 223 K HN 0.211 nan 8.250 nan 0.000 0.485 224 P HA -0.077 nan 4.420 nan 0.000 0.290 224 P C -0.007 177.306 177.300 0.022 0.000 1.584 224 P CA 0.714 63.832 63.100 0.030 0.000 0.813 224 P CB -0.155 31.557 31.700 0.020 0.000 1.775 225 E N 0.980 121.192 120.200 0.021 0.000 2.452 225 E HA -0.043 4.307 4.350 -0.000 0.000 0.197 225 E C 0.857 177.456 176.600 -0.002 0.000 1.022 225 E CA 0.285 56.691 56.400 0.009 0.000 0.890 225 E CB 0.451 30.156 29.700 0.007 0.000 0.918 225 E HN 0.370 nan 8.360 nan 0.000 0.496 226 E N 0.318 120.517 120.200 -0.002 0.000 2.876 226 E HA 0.186 4.536 4.350 -0.000 0.000 0.208 226 E C -0.283 176.299 176.600 -0.029 0.000 0.981 226 E CA -0.222 56.153 56.400 -0.041 0.000 1.174 226 E CB 0.361 30.000 29.700 -0.103 0.000 1.047 226 E HN 0.094 nan 8.360 nan 0.000 0.477 227 L N 1.425 122.660 121.223 0.020 0.000 2.322 227 L HA 0.521 4.861 4.340 -0.000 0.000 0.279 227 L C 0.063 176.947 176.870 0.022 0.000 1.036 227 L CA -0.916 53.950 54.840 0.045 0.000 0.807 227 L CB 1.860 43.959 42.059 0.066 0.000 1.226 227 L HN 0.049 nan 8.230 nan 0.000 0.433 228 R N 3.980 124.495 120.500 0.024 0.000 2.320 228 R HA 0.520 4.860 4.340 -0.000 0.000 0.319 228 R C -1.223 175.088 176.300 0.018 0.000 0.969 228 R CA -0.469 55.639 56.100 0.014 0.000 0.857 228 R CB 0.718 31.023 30.300 0.008 0.000 1.160 228 R HN 0.578 nan 8.270 nan 0.000 0.491 229 I N 4.158 124.737 120.570 0.015 0.000 2.321 229 I HA 0.251 4.421 4.170 -0.000 0.000 0.291 229 I C -0.314 175.809 176.117 0.010 0.000 0.998 229 I CA -0.658 60.650 61.300 0.014 0.000 1.227 229 I CB 1.476 39.484 38.000 0.013 0.000 1.368 229 I HN 0.434 nan 8.210 nan 0.000 0.466 230 D N 5.200 125.605 120.400 0.009 0.000 2.442 230 D HA 0.585 5.225 4.640 -0.000 0.000 0.254 230 D C -0.298 176.006 176.300 0.006 0.000 1.069 230 D CA -0.254 53.750 54.000 0.007 0.000 1.017 230 D CB 2.277 43.081 40.800 0.007 0.000 1.172 230 D HN 0.301 nan 8.370 nan 0.000 0.561 231 V N -1.668 118.249 119.914 0.005 0.000 2.811 231 V HA 0.267 4.387 4.120 -0.000 0.000 0.266 231 V C 0.018 176.114 176.094 0.003 0.000 0.872 231 V CA -0.937 61.365 62.300 0.004 0.000 0.992 231 V CB -0.077 31.748 31.823 0.003 0.000 1.016 231 V HN 0.553 nan 8.190 nan 0.000 0.496 232 M N 0.467 120.069 119.600 0.003 0.000 2.103 232 M HA 0.592 5.072 4.480 -0.000 0.000 0.291 232 M C 0.250 176.551 176.300 0.002 0.000 1.216 232 M CA -0.184 55.118 55.300 0.003 0.000 1.132 232 M CB 0.355 32.957 32.600 0.003 0.000 1.396 232 M HN 0.451 nan 8.290 nan 0.000 0.479 233 R N 0.700 121.201 120.500 0.002 0.000 2.490 233 R HA 0.503 4.843 4.340 -0.000 0.000 0.280 233 R C -0.142 176.159 176.300 0.001 0.000 1.077 233 R CA 0.154 56.255 56.100 0.001 0.000 1.065 233 R CB 0.975 31.275 30.300 0.001 0.000 1.003 233 R HN 0.858 nan 8.270 nan 0.000 0.470 234 A N 2.067 124.888 122.820 0.001 0.000 2.577 234 A HA 0.054 4.374 4.320 -0.000 0.000 0.233 234 A C 0.034 177.619 177.584 0.001 0.000 1.076 234 A CA 0.534 52.571 52.037 0.001 0.000 0.767 234 A CB 0.330 19.331 19.000 0.001 0.000 1.017 234 A HN 0.589 nan 8.150 nan 0.000 0.511 235 S N -0.527 115.174 115.700 0.001 0.000 2.599 235 S HA 0.759 5.229 4.470 -0.000 0.000 0.294 235 S C 0.437 175.037 174.600 0.001 0.000 1.094 235 S CA 0.938 59.139 58.200 0.001 0.000 0.931 235 S CB 1.072 64.273 63.200 0.001 0.000 1.093 235 S HN 2.724 nan 8.310 nan 0.000 0.488 236 G N 3.978 112.778 108.800 0.000 0.000 2.545 236 G HA2 -0.153 3.807 3.960 -0.000 0.000 0.240 236 G HA3 -0.153 3.807 3.960 -0.000 0.000 0.240 236 G C -1.909 172.991 174.900 0.000 0.000 1.172 236 G CA -0.019 45.081 45.100 0.000 0.000 0.949 236 G HN 0.800 nan 8.290 nan 0.000 0.574 237 P HA 0.537 nan 4.420 nan 0.000 0.320 237 P C 1.270 178.570 177.300 0.000 0.000 1.421 237 P CA 2.005 65.105 63.100 0.000 0.000 0.868 237 P CB -0.358 31.342 31.700 -0.000 0.000 2.140 238 G N -1.783 107.017 108.800 0.000 0.000 2.516 238 G HA2 0.322 4.282 3.960 -0.000 0.000 0.220 238 G HA3 0.322 4.282 3.960 -0.000 0.000 0.220 238 G C -0.118 174.782 174.900 0.000 0.000 1.165 238 G CA 0.382 45.482 45.100 0.000 0.000 1.013 238 G HN 0.935 nan 8.290 nan 0.000 0.590 239 G N -2.944 105.856 108.800 0.000 0.000 2.795 239 G HA2 0.483 4.443 3.960 -0.000 0.000 0.127 239 G HA3 0.483 4.443 3.960 -0.000 0.000 0.127 239 G C 0.388 175.288 174.900 0.000 0.000 1.203 239 G CA 0.887 45.987 45.100 0.000 0.000 1.145 239 G HN 0.758 nan 8.290 nan 0.000 0.580 240 Q N 0.189 119.989 119.800 0.000 0.000 2.515 240 Q HA 0.063 4.403 4.340 -0.000 0.000 0.212 240 Q C 1.847 177.847 176.000 0.000 0.000 0.970 240 Q CA 1.101 56.904 55.803 0.000 0.000 0.941 240 Q CB 0.345 29.082 28.738 0.000 0.000 0.998 240 Q HN 0.545 nan 8.270 nan 0.000 0.518 241 G N -0.738 108.062 108.800 0.000 0.000 2.848 241 G HA2 -0.047 3.913 3.960 -0.000 0.000 0.213 241 G HA3 -0.047 3.913 3.960 -0.000 0.000 0.213 241 G C 1.142 176.043 174.900 0.000 0.000 1.101 241 G CA -0.048 45.052 45.100 0.000 0.000 0.778 241 G HN 0.237 nan 8.290 nan 0.000 0.536 242 V N 1.711 121.625 119.914 0.000 0.000 2.759 242 V HA -0.092 4.028 4.120 -0.000 0.000 0.256 242 V C 1.932 178.027 176.094 0.000 0.000 1.080 242 V CA 2.037 64.337 62.300 0.000 0.000 1.101 242 V CB -0.297 31.526 31.823 0.000 0.000 0.698 242 V HN 0.391 nan 8.190 nan 0.000 0.477 243 N N -0.927 117.773 118.700 0.000 0.000 2.395 243 N HA -0.053 4.687 4.740 -0.000 0.000 0.175 243 N C 1.771 177.282 175.510 0.000 0.000 1.029 243 N CA 1.409 54.459 53.050 0.000 0.000 0.897 243 N CB -0.065 38.422 38.487 0.000 0.000 0.991 243 N HN 0.466 nan 8.380 nan 0.000 0.441 244 T N 0.063 114.617 114.554 0.000 0.000 3.031 244 T HA 0.071 4.421 4.350 -0.000 0.000 0.254 244 T C 0.520 175.220 174.700 0.001 0.000 1.060 244 T CA 0.553 62.653 62.100 0.000 0.000 1.135 244 T CB -0.005 68.863 68.868 0.000 0.000 0.896 244 T HN 0.060 nan 8.240 nan 0.000 0.472 245 T N 2.542 117.096 114.554 0.001 0.000 2.882 245 T HA 0.292 4.642 4.350 -0.000 0.000 0.287 245 T C -0.579 174.122 174.700 0.001 0.000 0.992 245 T CA -0.482 61.618 62.100 0.001 0.000 1.076 245 T CB 1.243 70.112 68.868 0.001 0.000 0.961 245 T HN 0.104 nan 8.240 nan 0.000 0.490 246 D N 1.894 122.294 120.400 0.001 0.000 2.934 246 D HA 0.183 4.823 4.640 -0.000 0.000 0.237 246 D C 1.078 177.379 176.300 0.002 0.000 1.158 246 D CA 0.116 54.117 54.000 0.001 0.000 0.971 246 D CB -0.034 40.767 40.800 0.002 0.000 1.123 246 D HN 0.292 nan 8.370 nan 0.000 0.467 247 S N 0.496 116.196 115.700 0.001 0.000 2.344 247 S HA -0.111 4.359 4.470 -0.000 0.000 0.217 247 S C 1.330 175.931 174.600 0.002 0.000 1.033 247 S CA 0.582 58.783 58.200 0.001 0.000 1.017 247 S CB -0.157 63.043 63.200 0.001 0.000 0.941 247 S HN 0.548 nan 8.310 nan 0.000 0.430 248 A N 2.693 125.514 122.820 0.002 0.000 2.567 248 A HA 0.397 4.717 4.320 -0.000 0.000 0.240 248 A C 0.225 177.811 177.584 0.003 0.000 1.053 248 A CA -0.110 51.928 52.037 0.002 0.000 0.755 248 A CB -0.345 18.657 19.000 0.002 0.000 0.978 248 A HN 0.598 nan 8.150 nan 0.000 0.507 249 V N 0.732 120.649 119.914 0.004 0.000 3.001 249 V HA 0.929 5.049 4.120 -0.000 0.000 0.314 249 V C -0.332 175.766 176.094 0.006 0.000 1.099 249 V CA -1.116 61.187 62.300 0.005 0.000 0.989 249 V CB 1.893 33.719 31.823 0.005 0.000 1.040 249 V HN 1.055 nan 8.190 nan 0.000 0.434 250 R N 2.167 122.672 120.500 0.008 0.000 2.518 250 R HA 0.712 5.052 4.340 -0.000 0.000 0.296 250 R C -2.019 174.290 176.300 0.016 0.000 1.080 250 R CA -0.439 55.668 56.100 0.011 0.000 0.922 250 R CB 2.084 32.390 30.300 0.010 0.000 1.184 250 R HN 0.782 nan 8.270 nan 0.000 0.445 251 V N 4.968 124.893 119.914 0.019 0.000 2.439 251 V HA 0.399 4.519 4.120 -0.000 0.000 0.282 251 V C -0.121 175.998 176.094 0.042 0.000 1.039 251 V CA -0.620 61.697 62.300 0.028 0.000 0.913 251 V CB 1.546 33.385 31.823 0.026 0.000 0.983 251 V HN 0.472 nan 8.190 nan 0.000 0.460 252 V N 3.907 123.852 119.914 0.052 0.000 2.495 252 V HA 0.384 4.504 4.120 -0.000 0.000 0.298 252 V C -0.673 175.487 176.094 0.110 0.000 1.031 252 V CA -0.741 61.600 62.300 0.067 0.000 0.871 252 V CB 1.686 33.532 31.823 0.038 0.000 0.988 252 V HN 0.903 nan 8.190 nan 0.000 0.432 253 H N 3.638 122.710 119.070 0.004 0.000 2.556 253 H HA 0.516 5.072 4.556 -0.000 0.000 0.310 253 H C 0.392 175.722 175.328 0.003 0.000 1.057 253 H CA -0.292 55.759 56.048 0.004 0.000 1.264 253 H CB 1.335 31.101 29.762 0.006 0.000 1.404 253 H HN 0.559 nan 8.280 nan 0.000 0.462 254 L N 5.910 127.015 121.223 -0.196 0.000 2.162 254 L HA 0.085 4.425 4.340 -0.000 0.000 0.205 254 L C -0.348 176.435 176.870 -0.145 0.000 1.086 254 L CA 0.234 54.995 54.840 -0.132 0.000 0.778 254 L CB -0.716 41.282 42.059 -0.103 0.000 0.928 254 L HN 0.601 nan 8.230 nan 0.000 0.446 255 P HA -0.014 nan 4.420 nan 0.000 0.237 255 P C 0.823 178.093 177.300 -0.050 0.000 1.178 255 P CA 1.088 64.105 63.100 -0.138 0.000 0.766 255 P CB 0.334 31.938 31.700 -0.161 0.000 0.876 256 T N -1.982 112.569 114.554 -0.006 0.000 3.138 256 T HA 0.354 4.704 4.350 -0.000 0.000 0.245 256 T C 1.340 176.079 174.700 0.065 0.000 0.982 256 T CA 0.853 63.012 62.100 0.098 0.000 1.134 256 T CB 0.033 69.068 68.868 0.279 0.000 1.032 256 T HN 0.184 nan 8.240 nan 0.000 0.442 257 G N 1.482 110.323 108.800 0.069 0.000 2.175 257 G HA2 -0.131 3.829 3.960 -0.000 0.000 0.182 257 G HA3 -0.131 3.829 3.960 -0.000 0.000 0.182 257 G C 0.019 174.954 174.900 0.059 0.000 1.003 257 G CA -0.491 44.637 45.100 0.046 0.000 0.666 257 G HN 0.502 nan 8.290 nan 0.000 0.506 258 I N 2.281 122.909 120.570 0.097 0.000 2.472 258 I HA 0.529 4.699 4.170 -0.000 0.000 0.290 258 I C 0.761 176.921 176.117 0.072 0.000 1.016 258 I CA 0.278 61.621 61.300 0.072 0.000 1.348 258 I CB 1.543 39.576 38.000 0.055 0.000 1.417 258 I HN 0.268 nan 8.210 nan 0.000 0.521 259 T N 2.883 117.461 114.554 0.040 0.000 2.921 259 T HA 0.709 5.059 4.350 -0.000 0.000 0.297 259 T C -0.748 173.963 174.700 0.019 0.000 1.013 259 T CA -0.726 61.394 62.100 0.034 0.000 0.990 259 T CB 1.633 70.517 68.868 0.027 0.000 1.023 259 T HN 0.206 nan 8.240 nan 0.000 0.447 260 V N 3.027 122.951 119.914 0.016 0.000 2.604 260 V HA 0.839 4.959 4.120 -0.000 0.000 0.305 260 V C 0.594 176.692 176.094 0.008 0.000 1.043 260 V CA -0.659 61.645 62.300 0.007 0.000 0.888 260 V CB 1.848 33.672 31.823 0.000 0.000 0.995 260 V HN 1.294 nan 8.190 nan 0.000 0.429 261 T N -0.067 114.490 114.554 0.005 0.000 2.883 261 T HA 0.791 5.141 4.350 -0.000 0.000 0.284 261 T C -0.743 173.959 174.700 0.003 0.000 1.041 261 T CA -0.817 61.286 62.100 0.005 0.000 1.007 261 T CB 1.976 70.847 68.868 0.005 0.000 1.220 261 T HN 1.066 nan 8.240 nan 0.000 0.552 262 C N 0.972 120.273 119.300 0.003 0.000 3.178 262 C HA 0.506 4.966 4.460 -0.000 0.000 0.428 262 C C -0.631 174.360 174.990 0.001 0.000 0.967 262 C CA -0.238 58.781 59.018 0.002 0.000 1.205 262 C CB 0.470 28.211 27.740 0.001 0.000 1.584 262 C HN 1.067 nan 8.230 nan 0.000 0.591 263 Q N 2.156 121.957 119.800 0.001 0.000 2.064 263 Q HA 0.052 4.392 4.340 -0.000 0.000 0.213 263 Q C 1.628 177.629 176.000 0.000 0.000 0.779 263 Q CA 0.662 56.465 55.803 0.001 0.000 1.032 263 Q CB 0.986 29.724 28.738 0.001 0.000 1.203 263 Q HN 0.984 nan 8.270 nan 0.000 0.457 264 T N -1.093 113.461 114.554 0.000 0.000 2.685 264 T HA -0.218 4.132 4.350 -0.000 0.000 0.268 264 T C 1.502 176.202 174.700 -0.000 0.000 1.034 264 T CA 1.966 64.066 62.100 -0.000 0.000 1.149 264 T CB -0.478 68.390 68.868 -0.000 0.000 0.860 264 T HN 0.368 nan 8.240 nan 0.000 0.449 265 T N 0.565 115.119 114.554 -0.000 0.000 2.906 265 T HA 0.460 4.810 4.350 -0.000 0.000 0.283 265 T C 0.546 175.246 174.700 -0.000 0.000 1.098 265 T CA -0.806 61.294 62.100 -0.000 0.000 0.960 265 T CB 1.144 70.012 68.868 -0.000 0.000 1.776 265 T HN 0.551 nan 8.240 nan 0.000 0.594 266 R N 0.485 120.985 120.500 -0.000 0.000 2.698 266 R HA 0.474 4.814 4.340 -0.000 0.000 0.422 266 R C -0.521 175.779 176.300 0.000 0.000 1.073 266 R CA -0.699 55.401 56.100 0.000 0.000 1.054 266 R CB 0.074 30.374 30.300 -0.000 0.000 1.373 266 R HN 0.601 nan 8.270 nan 0.000 0.593 267 S N -0.684 115.016 115.700 0.000 0.000 2.572 267 S HA 0.060 4.530 4.470 -0.000 0.000 0.274 267 S C 0.459 175.059 174.600 0.001 0.000 1.150 267 S CA -0.905 57.295 58.200 0.000 0.000 0.944 267 S CB 2.215 65.415 63.200 -0.000 0.000 1.071 267 S HN 0.320 nan 8.310 nan 0.000 0.479 268 Q N 2.262 122.063 119.800 0.001 0.000 2.119 268 Q HA -0.044 4.296 4.340 -0.000 0.000 0.201 268 Q C 1.147 177.148 176.000 0.001 0.000 0.972 268 Q CA 1.598 57.402 55.803 0.001 0.000 0.847 268 Q CB -0.336 28.403 28.738 0.002 0.000 0.903 268 Q HN 0.915 nan 8.270 nan 0.000 0.433 269 I N 0.503 121.073 120.570 0.001 0.000 2.676 269 I HA -0.153 4.017 4.170 -0.000 0.000 0.259 269 I C 1.959 178.076 176.117 -0.000 0.000 1.194 269 I CA 0.759 62.059 61.300 0.001 0.000 1.473 269 I CB -0.061 37.939 38.000 0.000 0.000 1.096 269 I HN 0.100 nan 8.210 nan 0.000 0.443 270 K N 0.427 120.827 120.400 -0.000 0.000 2.393 270 K HA 0.078 4.398 4.320 -0.000 0.000 0.193 270 K C 0.855 177.455 176.600 -0.001 0.000 1.026 270 K CA 0.366 56.653 56.287 -0.001 0.000 1.064 270 K CB 0.168 32.668 32.500 -0.001 0.000 0.833 270 K HN 0.258 nan 8.250 nan 0.000 0.521 271 N N 0.858 119.558 118.700 -0.000 0.000 2.463 271 N HA -0.043 4.697 4.740 -0.000 0.000 0.183 271 N C 1.390 176.901 175.510 0.001 0.000 1.064 271 N CA 0.566 53.616 53.050 0.000 0.000 0.879 271 N CB 0.319 38.807 38.487 0.001 0.000 1.148 271 N HN 0.205 nan 8.380 nan 0.000 0.451 272 K N 0.460 120.861 120.400 0.002 0.000 2.228 272 K HA 0.121 4.441 4.320 -0.000 0.000 0.202 272 K C 1.183 177.784 176.600 0.001 0.000 1.051 272 K CA 0.959 57.248 56.287 0.003 0.000 0.960 272 K CB 0.167 32.669 32.500 0.004 0.000 0.743 272 K HN 0.022 nan 8.250 nan 0.000 0.458 273 E N 0.669 120.869 120.200 -0.000 0.000 2.190 273 E HA -0.007 4.343 4.350 -0.000 0.000 0.191 273 E C 1.731 178.329 176.600 -0.004 0.000 0.978 273 E CA 0.431 56.829 56.400 -0.003 0.000 0.839 273 E CB 0.150 29.848 29.700 -0.003 0.000 0.787 273 E HN 0.206 nan 8.360 nan 0.000 0.473 274 L N 0.167 121.388 121.223 -0.003 0.000 2.418 274 L HA 0.058 4.398 4.340 -0.000 0.000 0.218 274 L C 1.951 178.819 176.870 -0.004 0.000 1.125 274 L CA 0.738 55.576 54.840 -0.004 0.000 0.835 274 L CB 0.014 42.071 42.059 -0.003 0.000 0.953 274 L HN -0.026 nan 8.230 nan 0.000 0.454 275 A N -1.623 121.196 122.820 -0.002 0.000 2.147 275 A HA 0.114 4.434 4.320 -0.000 0.000 0.211 275 A C 2.051 179.632 177.584 -0.005 0.000 1.160 275 A CA 0.463 52.499 52.037 -0.002 0.000 0.781 275 A CB -0.230 18.771 19.000 0.001 0.000 0.842 275 A HN 0.341 nan 8.150 nan 0.000 0.475 276 L N -1.074 120.145 121.223 -0.005 0.000 2.209 276 L HA 0.010 4.350 4.340 -0.000 0.000 0.207 276 L C 2.219 179.080 176.870 -0.017 0.000 1.094 276 L CA 1.013 55.847 54.840 -0.010 0.000 0.790 276 L CB -0.130 41.926 42.059 -0.006 0.000 0.932 276 L HN 0.213 nan 8.230 nan 0.000 0.447 277 K N 0.800 121.192 120.400 -0.013 0.000 2.589 277 K HA -0.088 4.232 4.320 -0.000 0.000 0.195 277 K C 1.393 177.985 176.600 -0.013 0.000 1.040 277 K CA 1.191 57.470 56.287 -0.015 0.000 0.950 277 K CB -0.127 32.366 32.500 -0.011 0.000 0.781 277 K HN 0.327 nan 8.250 nan 0.000 0.486 278 I N -1.551 119.010 120.570 -0.014 0.000 3.194 278 I HA -0.052 4.118 4.170 -0.000 0.000 0.271 278 I C 1.805 177.909 176.117 -0.022 0.000 1.150 278 I CA -0.011 61.282 61.300 -0.012 0.000 1.440 278 I CB -0.075 37.920 38.000 -0.009 0.000 1.276 278 I HN 0.013 nan 8.210 nan 0.000 0.457 279 L N 1.559 122.761 121.223 -0.034 0.000 2.129 279 L HA -0.252 4.088 4.340 -0.000 0.000 0.212 279 L C 2.458 179.277 176.870 -0.085 0.000 1.087 279 L CA 1.723 56.522 54.840 -0.068 0.000 0.757 279 L CB -0.199 41.813 42.059 -0.078 0.000 0.896 279 L HN 0.216 nan 8.230 nan 0.000 0.434 280 K N -0.460 119.907 120.400 -0.056 0.000 2.057 280 K HA -0.158 4.162 4.320 -0.000 0.000 0.207 280 K C 2.036 178.635 176.600 -0.001 0.000 1.049 280 K CA 1.287 57.547 56.287 -0.045 0.000 0.931 280 K CB -0.312 32.163 32.500 -0.043 0.000 0.714 280 K HN 0.402 nan 8.250 nan 0.000 0.440 281 A N 1.866 124.692 122.820 0.009 0.000 1.823 281 A HA -0.205 4.115 4.320 -0.000 0.000 0.214 281 A C 2.116 179.731 177.584 0.051 0.000 1.227 281 A CA 1.626 53.693 52.037 0.049 0.000 0.616 281 A CB -0.849 18.167 19.000 0.026 0.000 0.874 281 A HN 0.224 nan 8.150 nan 0.000 0.455 282 R N -0.688 119.819 120.500 0.011 0.000 2.165 282 R HA -0.220 4.120 4.340 -0.000 0.000 0.254 282 R C 2.127 178.422 176.300 -0.007 0.000 1.153 282 R CA 1.998 58.095 56.100 -0.004 0.000 0.971 282 R CB -0.566 29.724 30.300 -0.017 0.000 0.878 282 R HN 0.600 nan 8.270 nan 0.000 0.449 283 L N -1.085 120.127 121.223 -0.019 0.000 1.976 283 L HA -0.238 4.102 4.340 -0.000 0.000 0.209 283 L C 2.346 179.249 176.870 0.055 0.000 1.071 283 L CA 1.469 56.296 54.840 -0.022 0.000 0.746 283 L CB -0.700 41.300 42.059 -0.098 0.000 0.890 283 L HN 0.285 nan 8.230 nan 0.000 0.432 284 Y N 0.842 121.112 120.300 -0.051 0.000 2.446 284 Y HA -0.266 4.284 4.550 -0.000 0.000 0.287 284 Y C 2.382 178.266 175.900 -0.026 0.000 1.159 284 Y CA 1.450 59.530 58.100 -0.033 0.000 1.297 284 Y CB -0.218 38.224 38.460 -0.030 0.000 0.974 284 Y HN 0.272 nan 8.280 nan 0.000 0.557 285 E N -1.455 118.700 120.200 -0.076 0.000 2.166 285 E HA -0.056 4.294 4.350 -0.000 0.000 0.192 285 E C 1.440 177.975 176.600 -0.109 0.000 0.967 285 E CA 0.434 56.747 56.400 -0.145 0.000 0.840 285 E CB -0.037 29.620 29.700 -0.071 0.000 0.795 285 E HN 0.320 nan 8.360 nan 0.000 0.470 286 L N 0.903 122.091 121.223 -0.058 0.000 2.567 286 L HA 0.069 4.409 4.340 -0.000 0.000 0.225 286 L C 1.242 178.094 176.870 -0.029 0.000 1.119 286 L CA 1.046 55.862 54.840 -0.039 0.000 0.871 286 L CB 0.262 42.311 42.059 -0.017 0.000 1.036 286 L HN -0.022 nan 8.230 nan 0.000 0.459 287 E N -1.393 118.788 120.200 -0.030 0.000 2.452 287 E HA 0.033 4.383 4.350 -0.000 0.000 0.197 287 E C 1.654 178.229 176.600 -0.042 0.000 1.022 287 E CA -0.126 56.272 56.400 -0.003 0.000 0.890 287 E CB 0.464 30.197 29.700 0.054 0.000 0.918 287 E HN 0.269 nan 8.360 nan 0.000 0.496 288 R N 1.360 121.788 120.500 -0.121 0.000 2.221 288 R HA 0.062 4.402 4.340 -0.000 0.000 0.195 288 R C 1.969 178.196 176.300 -0.122 0.000 0.956 288 R CA 0.339 56.336 56.100 -0.172 0.000 1.064 288 R CB 0.215 30.289 30.300 -0.375 0.000 1.049 288 R HN -0.106 nan 8.270 nan 0.000 0.534 289 K N 2.028 122.366 120.400 -0.104 0.000 2.286 289 K HA -0.190 4.130 4.320 -0.000 0.000 0.203 289 K C 1.793 178.360 176.600 -0.055 0.000 1.045 289 K CA 1.930 58.172 56.287 -0.074 0.000 0.935 289 K CB 0.060 32.525 32.500 -0.058 0.000 0.737 289 K HN 0.253 nan 8.250 nan 0.000 0.460 290 K N -0.376 119.994 120.400 -0.049 0.000 2.007 290 K HA -0.083 4.237 4.320 -0.000 0.000 0.206 290 K C 2.000 178.576 176.600 -0.040 0.000 1.047 290 K CA 0.703 56.969 56.287 -0.036 0.000 0.937 290 K CB -0.271 32.215 32.500 -0.024 0.000 0.718 290 K HN -0.146 nan 8.250 nan 0.000 0.438 291 R N 1.406 121.878 120.500 -0.046 0.000 2.316 291 R HA -0.065 4.275 4.340 -0.000 0.000 0.232 291 R C 1.539 177.811 176.300 -0.048 0.000 1.137 291 R CA 1.468 57.541 56.100 -0.046 0.000 1.012 291 R CB -0.225 30.045 30.300 -0.049 0.000 0.859 291 R HN 0.548 nan 8.270 nan 0.000 0.474 292 E N -1.128 119.041 120.200 -0.051 0.000 2.140 292 E HA -0.089 4.261 4.350 -0.000 0.000 0.191 292 E C 1.478 178.055 176.600 -0.039 0.000 0.973 292 E CA 0.668 57.040 56.400 -0.047 0.000 0.829 292 E CB 0.104 29.772 29.700 -0.052 0.000 0.781 292 E HN 0.401 nan 8.360 nan 0.000 0.466 293 E N 1.048 121.226 120.200 -0.036 0.000 2.276 293 E HA -0.082 4.268 4.350 -0.000 0.000 0.193 293 E C 1.373 177.955 176.600 -0.029 0.000 0.983 293 E CA 0.270 56.652 56.400 -0.030 0.000 0.861 293 E CB 0.322 30.005 29.700 -0.027 0.000 0.817 293 E HN 0.176 nan 8.360 nan 0.000 0.485 294 E N 0.216 120.396 120.200 -0.032 0.000 2.358 294 E HA -0.052 4.298 4.350 -0.000 0.000 0.195 294 E C 1.540 178.116 176.600 -0.040 0.000 1.010 294 E CA 0.138 56.517 56.400 -0.034 0.000 0.856 294 E CB 0.379 30.058 29.700 -0.034 0.000 0.795 294 E HN 0.211 nan 8.360 nan 0.000 0.504 295 L N 0.307 121.506 121.223 -0.040 0.000 2.664 295 L HA 0.153 4.493 4.340 -0.000 0.000 0.233 295 L C 0.974 177.823 176.870 -0.035 0.000 1.113 295 L CA 0.736 55.550 54.840 -0.044 0.000 0.896 295 L CB 0.213 42.245 42.059 -0.046 0.000 1.163 295 L HN -0.090 nan 8.230 nan 0.000 0.497 296 K N -0.448 119.934 120.400 -0.029 0.000 2.417 296 K HA 0.225 4.545 4.320 -0.000 0.000 0.196 296 K C 1.174 177.763 176.600 -0.018 0.000 1.023 296 K CA 0.509 56.783 56.287 -0.022 0.000 1.122 296 K CB 0.660 33.147 32.500 -0.022 0.000 0.850 296 K HN 0.234 nan 8.250 nan 0.000 0.521 297 A N -0.059 122.748 122.820 -0.021 0.000 2.498 297 A HA 0.110 4.430 4.320 -0.000 0.000 0.238 297 A C 1.333 178.905 177.584 -0.020 0.000 1.225 297 A CA -0.163 51.863 52.037 -0.018 0.000 0.978 297 A CB 0.215 19.203 19.000 -0.019 0.000 1.142 297 A HN 0.171 nan 8.150 nan 0.000 0.552 298 L N -0.042 121.165 121.223 -0.026 0.000 2.270 298 L HA 0.169 4.509 4.340 -0.000 0.000 0.210 298 L C 2.195 179.056 176.870 -0.015 0.000 1.104 298 L CA 1.496 56.317 54.840 -0.032 0.000 0.804 298 L CB -0.291 41.735 42.059 -0.054 0.000 0.937 298 L HN 0.335 nan 8.230 nan 0.000 0.450 299 R N -0.662 119.833 120.500 -0.008 0.000 2.073 299 R HA 0.297 4.637 4.340 -0.000 0.000 0.229 299 R C 1.097 177.410 176.300 0.022 0.000 1.120 299 R CA 0.730 56.838 56.100 0.013 0.000 0.967 299 R CB -0.274 30.032 30.300 0.010 0.000 0.862 299 R HN 0.517 nan 8.270 nan 0.000 0.436 300 G N -0.542 108.264 108.800 0.009 0.000 2.217 300 G HA2 -0.137 3.823 3.960 -0.000 0.000 0.173 300 G HA3 -0.137 3.823 3.960 -0.000 0.000 0.173 300 G C -0.400 174.506 174.900 0.010 0.000 1.324 300 G CA -0.051 45.056 45.100 0.011 0.000 1.225 300 G HN 0.204 nan 8.290 nan 0.000 0.494 301 E N -1.528 118.683 120.200 0.018 0.000 2.701 301 E HA 0.149 4.499 4.350 -0.000 0.000 0.201 301 E C 0.832 177.446 176.600 0.023 0.000 0.961 301 E CA 0.461 56.871 56.400 0.016 0.000 1.659 301 E CB 1.150 30.859 29.700 0.014 0.000 1.970 301 E HN 1.007 nan 8.360 nan 0.000 1.021 302 V N 1.136 121.069 119.914 0.032 0.000 2.475 302 V HA 0.156 4.276 4.120 -0.000 0.000 0.292 302 V C 0.319 176.432 176.094 0.031 0.000 1.003 302 V CA 0.431 62.752 62.300 0.035 0.000 1.120 302 V CB 0.019 31.869 31.823 0.046 0.000 0.937 302 V HN 0.340 nan 8.190 nan 0.000 0.476 303 R N 1.918 122.436 120.500 0.029 0.000 2.452 303 R HA 0.103 4.443 4.340 -0.000 0.000 0.087 303 R C -1.853 174.464 176.300 0.027 0.000 0.511 303 R CA -0.213 55.906 56.100 0.032 0.000 0.736 303 R CB -0.774 29.543 30.300 0.029 0.000 1.019 303 R HN 0.618 nan 8.270 nan 0.000 0.551 304 P HA 0.021 nan 4.420 nan 0.000 0.216 304 P C 0.575 177.873 177.300 -0.003 0.000 1.150 304 P CA 1.160 64.264 63.100 0.007 0.000 0.837 304 P CB 0.375 32.077 31.700 0.003 0.000 0.786 305 I N -3.723 116.852 120.570 0.008 0.000 5.548 305 I HA -0.286 3.884 4.170 -0.000 0.000 0.177 305 I C 0.554 176.531 176.117 -0.234 0.000 1.814 305 I CA 0.062 61.363 61.300 0.003 0.000 2.031 305 I CB -0.909 37.119 38.000 0.046 0.000 3.357 305 I HN 0.140 nan 8.210 nan 0.000 0.170 306 E N 0.257 120.336 120.200 -0.201 0.000 2.376 306 E HA 0.146 4.496 4.350 -0.000 0.000 0.254 306 E C -0.687 175.612 176.600 -0.502 0.000 1.213 306 E CA -0.083 56.166 56.400 -0.252 0.000 0.945 306 E CB 0.401 30.069 29.700 -0.054 0.000 1.057 306 E HN 0.132 nan 8.360 nan 0.000 0.479 307 W N 1.216 122.140 121.300 -0.626 0.000 2.585 307 W HA 0.442 5.102 4.660 -0.000 0.000 0.337 307 W C 0.803 177.300 176.519 -0.037 0.000 1.226 307 W CA 0.316 57.465 57.345 -0.327 0.000 1.463 307 W CB 0.300 29.701 29.460 -0.098 0.000 1.458 307 W HN 0.641 nan 8.180 nan 0.000 0.458 308 G N 1.354 110.296 108.800 0.237 0.000 2.240 308 G HA2 -0.060 3.900 3.960 -0.000 0.000 0.181 308 G HA3 -0.060 3.900 3.960 -0.000 0.000 0.181 308 G C -0.132 174.809 174.900 0.068 0.000 1.028 308 G CA -0.151 45.031 45.100 0.137 0.000 0.760 308 G HN 0.721 nan 8.290 nan 0.000 0.508 309 S N -0.266 115.487 115.700 0.088 0.000 2.440 309 S HA 0.631 5.101 4.470 -0.000 0.000 0.142 309 S C -0.608 174.026 174.600 0.057 0.000 1.578 309 S CA -0.598 57.629 58.200 0.045 0.000 1.260 309 S CB 1.117 64.341 63.200 0.041 0.000 1.407 309 S HN 0.295 nan 8.310 nan 0.000 0.392 310 Q N 1.562 121.359 119.800 -0.005 0.000 2.309 310 Q HA 0.622 4.962 4.340 -0.000 0.000 0.264 310 Q C 1.269 177.219 176.000 -0.083 0.000 1.008 310 Q CA -0.870 54.924 55.803 -0.014 0.000 0.853 310 Q CB 1.711 30.448 28.738 -0.000 0.000 1.314 310 Q HN 0.733 nan 8.270 nan 0.000 0.448 311 I N -1.779 118.718 120.570 -0.121 0.000 2.429 311 I HA 0.243 4.413 4.170 -0.000 0.000 0.247 311 I C 0.612 176.670 176.117 -0.099 0.000 1.099 311 I CA 0.517 61.717 61.300 -0.166 0.000 1.422 311 I CB 0.275 38.134 38.000 -0.235 0.000 1.112 311 I HN 0.377 nan 8.210 nan 0.000 0.430 312 R N 1.048 121.527 120.500 -0.036 0.000 2.621 312 R HA 0.509 4.849 4.340 -0.000 0.000 0.284 312 R C -1.473 174.940 176.300 0.188 0.000 0.998 312 R CA -0.432 55.694 56.100 0.044 0.000 0.895 312 R CB 2.180 32.510 30.300 0.049 0.000 1.195 312 R HN 0.119 nan 8.270 nan 0.000 0.450 313 S N 3.167 118.922 115.700 0.091 0.000 2.437 313 S HA 0.434 4.904 4.470 -0.000 0.000 0.305 313 S C -1.452 173.118 174.600 -0.051 0.000 1.109 313 S CA -0.424 57.855 58.200 0.131 0.000 1.099 313 S CB 0.618 63.896 63.200 0.130 0.000 1.004 313 S HN 0.374 nan 8.310 nan 0.000 0.475 314 Y N 1.336 121.612 120.300 -0.040 0.000 2.360 314 Y HA 0.648 5.198 4.550 -0.000 0.000 0.337 314 Y C 0.162 175.845 175.900 -0.363 0.000 1.039 314 Y CA -1.010 57.006 58.100 -0.140 0.000 1.109 314 Y CB 1.380 39.891 38.460 0.084 0.000 1.201 314 Y HN 0.386 nan 8.280 nan 0.000 0.458 315 V N 5.188 124.901 119.914 -0.336 0.000 2.668 315 V HA 0.342 4.462 4.120 -0.000 0.000 0.304 315 V C -0.946 174.972 176.094 -0.294 0.000 1.071 315 V CA -0.620 61.431 62.300 -0.415 0.000 0.894 315 V CB 1.612 33.018 31.823 -0.694 0.000 1.008 315 V HN 0.775 nan 8.190 nan 0.000 0.425 316 L N 3.457 124.561 121.223 -0.198 0.000 2.513 316 L HA 0.229 4.569 4.340 -0.000 0.000 0.222 316 L C 1.554 178.388 176.870 -0.059 0.000 1.096 316 L CA 0.812 55.586 54.840 -0.111 0.000 0.857 316 L CB -0.802 41.190 42.059 -0.111 0.000 1.026 316 L HN 0.766 nan 8.230 nan 0.000 0.469 317 D N 1.147 121.511 120.400 -0.061 0.000 2.062 317 D HA -0.199 4.441 4.640 -0.000 0.000 0.249 317 D C 1.757 178.094 176.300 0.060 0.000 1.114 317 D CA 1.411 55.408 54.000 -0.004 0.000 0.990 317 D CB 0.348 41.151 40.800 0.006 0.000 1.442 317 D HN -0.150 nan 8.370 nan 0.000 0.533 318 K N 0.453 120.947 120.400 0.156 0.000 2.360 318 K HA -0.004 4.316 4.320 -0.000 0.000 0.201 318 K C -0.160 176.588 176.600 0.246 0.000 1.046 318 K CA 0.356 56.756 56.287 0.189 0.000 0.945 318 K CB -0.263 32.355 32.500 0.197 0.000 0.750 318 K HN 0.271 nan 8.250 nan 0.000 0.464 319 N N -0.023 118.827 118.700 0.251 0.000 2.413 319 N HA -0.204 4.536 4.740 -0.000 0.000 0.282 319 N C -1.680 174.017 175.510 0.312 0.000 1.368 319 N CA 0.998 54.147 53.050 0.166 0.000 0.627 319 N CB -0.859 37.691 38.487 0.105 0.000 0.899 319 N HN 0.225 nan 8.380 nan 0.000 0.517 320 Y N -2.288 117.972 120.300 -0.067 0.000 2.810 320 Y HA 0.583 5.133 4.550 -0.000 0.000 0.355 320 Y C -1.590 174.224 175.900 -0.144 0.000 1.211 320 Y CA -1.043 56.979 58.100 -0.129 0.000 1.112 320 Y CB 0.572 38.880 38.460 -0.254 0.000 1.383 320 Y HN -0.071 nan 8.280 nan 0.000 0.458 321 V N 1.915 121.721 119.914 -0.179 0.000 2.540 321 V HA 0.572 4.692 4.120 -0.000 0.000 0.302 321 V C -0.849 175.112 176.094 -0.221 0.000 1.035 321 V CA -0.872 61.236 62.300 -0.319 0.000 0.873 321 V CB 1.732 33.356 31.823 -0.332 0.000 0.992 321 V HN 0.670 nan 8.190 nan 0.000 0.428 322 K N 2.972 123.215 120.400 -0.262 0.000 2.419 322 K HA 0.354 4.673 4.320 -0.000 0.000 0.244 322 K C -0.554 175.893 176.600 -0.255 0.000 1.045 322 K CA -0.325 55.833 56.287 -0.216 0.000 1.004 322 K CB 0.382 32.767 32.500 -0.192 0.000 1.376 322 K HN 0.609 nan 8.250 nan 0.000 0.460 323 D N 2.093 122.358 120.400 -0.225 0.000 2.342 323 D HA 0.031 4.671 4.640 -0.000 0.000 0.260 323 D C 0.395 176.568 176.300 -0.213 0.000 1.278 323 D CA 0.347 54.235 54.000 -0.186 0.000 0.910 323 D CB 0.472 41.183 40.800 -0.149 0.000 1.079 323 D HN 0.608 nan 8.370 nan 0.000 0.496 324 H N 2.313 121.279 119.070 -0.173 0.000 2.462 324 H HA 0.094 4.650 4.556 -0.000 0.000 0.292 324 H C 1.723 176.879 175.328 -0.287 0.000 1.049 324 H CA 0.881 56.826 56.048 -0.171 0.000 1.334 324 H CB 0.510 30.195 29.762 -0.129 0.000 1.404 324 H HN 0.304 nan 8.280 nan 0.000 0.544 325 R N -1.021 119.267 120.500 -0.354 0.000 2.115 325 R HA -0.096 4.244 4.340 -0.000 0.000 0.230 325 R C 2.093 177.944 176.300 -0.750 0.000 1.111 325 R CA 1.686 57.257 56.100 -0.882 0.000 0.976 325 R CB -0.187 29.400 30.300 -1.188 0.000 0.870 325 R HN 0.249 nan 8.270 nan 0.000 0.445 326 T N -2.114 112.234 114.554 -0.344 0.000 3.004 326 T HA 0.143 4.493 4.350 -0.000 0.000 0.243 326 T C 1.255 175.920 174.700 -0.057 0.000 1.020 326 T CA 1.401 63.423 62.100 -0.130 0.000 1.145 326 T CB 0.269 69.106 68.868 -0.051 0.000 0.876 326 T HN 0.471 nan 8.240 nan 0.000 0.449 327 G N 0.537 109.283 108.800 -0.091 0.000 2.205 327 G HA2 -0.063 3.897 3.960 -0.000 0.000 0.180 327 G HA3 -0.063 3.897 3.960 -0.000 0.000 0.180 327 G C -0.328 174.530 174.900 -0.069 0.000 1.004 327 G CA -0.058 45.002 45.100 -0.066 0.000 0.670 327 G HN 0.492 nan 8.290 nan 0.000 0.496 328 L N 0.838 122.020 121.223 -0.069 0.000 2.436 328 L HA 0.781 5.121 4.340 -0.000 0.000 0.265 328 L C 0.941 177.755 176.870 -0.093 0.000 1.168 328 L CA 0.471 55.277 54.840 -0.056 0.000 0.815 328 L CB 1.043 43.082 42.059 -0.033 0.000 1.109 328 L HN 0.245 nan 8.230 nan 0.000 0.462 329 M N 2.826 122.379 119.600 -0.078 0.000 2.400 329 M HA 0.357 4.837 4.480 -0.000 0.000 0.241 329 M C -0.105 176.124 176.300 -0.119 0.000 1.158 329 M CA -0.294 54.940 55.300 -0.109 0.000 0.613 329 M CB 0.871 33.390 32.600 -0.135 0.000 1.615 329 M HN 0.424 nan 8.290 nan 0.000 0.371 330 R N -0.159 120.299 120.500 -0.070 0.000 2.873 330 R HA 0.007 4.347 4.340 -0.000 0.000 0.267 330 R C 0.191 176.463 176.300 -0.046 0.000 1.009 330 R CA 0.837 56.935 56.100 -0.003 0.000 1.152 330 R CB 0.479 30.767 30.300 -0.020 0.000 1.047 330 R HN 0.529 nan 8.270 nan 0.000 0.470 331 H N -1.085 118.005 119.070 0.034 0.000 2.755 331 H HA 0.076 4.632 4.556 -0.000 0.000 0.273 331 H C -0.647 174.713 175.328 0.054 0.000 1.055 331 H CA -0.036 56.056 56.048 0.073 0.000 1.191 331 H CB 0.402 30.181 29.762 0.029 0.000 1.536 331 H HN 0.485 nan 8.280 nan 0.000 0.529 332 D N 1.170 121.641 120.400 0.119 0.000 2.505 332 D HA 0.058 4.698 4.640 -0.000 0.000 0.242 332 D C -2.191 174.127 176.300 0.030 0.000 1.136 332 D CA -1.620 52.420 54.000 0.067 0.000 0.954 332 D CB 2.237 43.065 40.800 0.047 0.000 1.002 332 D HN 0.176 nan 8.370 nan 0.000 0.512 333 P HA -0.107 nan 4.420 nan 0.000 0.215 333 P C 1.154 178.484 177.300 0.050 0.000 1.160 333 P CA 0.839 63.946 63.100 0.012 0.000 0.869 333 P CB 0.605 32.282 31.700 -0.038 0.000 0.782 334 E N 0.139 120.359 120.200 0.033 0.000 2.171 334 E HA -0.217 4.133 4.350 -0.000 0.000 0.197 334 E C 2.115 178.736 176.600 0.035 0.000 0.997 334 E CA 1.085 57.504 56.400 0.031 0.000 0.810 334 E CB -0.733 28.978 29.700 0.019 0.000 0.738 334 E HN 0.430 nan 8.360 nan 0.000 0.467 335 N N 0.600 119.321 118.700 0.034 0.000 2.216 335 N HA -0.122 4.618 4.740 -0.000 0.000 0.183 335 N C 1.863 177.396 175.510 0.038 0.000 1.017 335 N CA 0.617 53.686 53.050 0.032 0.000 0.861 335 N CB 0.268 38.771 38.487 0.027 0.000 0.986 335 N HN -0.039 nan 8.380 nan 0.000 0.428 336 V N 1.783 121.725 119.914 0.047 0.000 2.358 336 V HA -0.168 3.952 4.120 -0.000 0.000 0.246 336 V C 1.957 178.080 176.094 0.047 0.000 1.047 336 V CA 1.113 63.446 62.300 0.055 0.000 1.035 336 V CB -0.437 31.432 31.823 0.078 0.000 0.658 336 V HN 0.373 nan 8.190 nan 0.000 0.452 337 L N 0.632 121.889 121.223 0.057 0.000 2.784 337 L HA -0.110 4.230 4.340 -0.000 0.000 0.247 337 L C 1.476 178.343 176.870 -0.004 0.000 1.162 337 L CA 1.060 55.906 54.840 0.010 0.000 0.881 337 L CB -0.646 41.437 42.059 0.041 0.000 1.032 337 L HN 0.407 nan 8.230 nan 0.000 0.446 338 D N -0.699 119.712 120.400 0.018 0.000 2.433 338 D HA 0.179 4.819 4.640 -0.000 0.000 0.211 338 D C 1.414 177.754 176.300 0.067 0.000 1.114 338 D CA 0.701 54.722 54.000 0.034 0.000 0.837 338 D CB 0.631 41.453 40.800 0.037 0.000 0.984 338 D HN 0.179 nan 8.370 nan 0.000 0.505 339 G N 0.968 109.814 108.800 0.076 0.000 2.238 339 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.217 339 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.217 339 G C 0.161 175.217 174.900 0.260 0.000 0.996 339 G CA -0.081 45.140 45.100 0.201 0.000 0.632 339 G HN 0.437 nan 8.290 nan 0.000 0.503 340 D N 1.180 121.671 120.400 0.151 0.000 2.376 340 D HA 0.358 4.998 4.640 -0.000 0.000 0.278 340 D C 1.371 177.737 176.300 0.109 0.000 1.384 340 D CA 0.482 54.565 54.000 0.140 0.000 1.033 340 D CB -0.366 40.478 40.800 0.073 0.000 1.102 340 D HN 0.338 nan 8.370 nan 0.000 0.530 341 L N 3.393 124.717 121.223 0.168 0.000 3.217 341 L HA 0.080 4.420 4.340 -0.000 0.000 0.288 341 L C 1.925 178.893 176.870 0.163 0.000 1.202 341 L CA -0.429 54.430 54.840 0.032 0.000 1.027 341 L CB -0.069 41.787 42.059 -0.339 0.000 1.427 341 L HN 0.389 nan 8.230 nan 0.000 0.600 342 M N 0.594 120.377 119.600 0.305 0.000 2.113 342 M HA -0.254 4.226 4.480 -0.000 0.000 0.255 342 M C 1.483 177.984 176.300 0.335 0.000 1.073 342 M CA 2.079 57.627 55.300 0.413 0.000 1.091 342 M CB -0.700 32.067 32.600 0.278 0.000 1.309 342 M HN 0.271 nan 8.290 nan 0.000 0.407 343 D N 0.544 120.932 120.400 -0.020 0.000 2.144 343 D HA -0.087 4.553 4.640 -0.000 0.000 0.200 343 D C 2.093 178.463 176.300 0.116 0.000 0.978 343 D CA 1.101 55.050 54.000 -0.085 0.000 0.833 343 D CB -0.493 40.193 40.800 -0.192 0.000 0.961 343 D HN 0.495 nan 8.370 nan 0.000 0.470 344 L N -1.142 120.137 121.223 0.092 0.000 2.313 344 L HA 0.141 4.481 4.340 -0.000 0.000 0.214 344 L C 2.185 179.139 176.870 0.140 0.000 1.119 344 L CA 0.665 55.553 54.840 0.080 0.000 0.809 344 L CB -0.441 41.633 42.059 0.025 0.000 0.933 344 L HN -0.100 nan 8.230 nan 0.000 0.449 345 I N -1.570 119.122 120.570 0.203 0.000 2.852 345 I HA -0.065 4.105 4.170 -0.000 0.000 0.264 345 I C 2.121 178.416 176.117 0.297 0.000 1.179 345 I CA 0.621 62.058 61.300 0.227 0.000 1.480 345 I CB -0.171 37.973 38.000 0.241 0.000 1.111 345 I HN 0.263 nan 8.210 nan 0.000 0.441 346 W N 1.443 122.799 121.300 0.093 0.000 2.358 346 W HA -0.154 4.505 4.660 -0.000 0.000 0.303 346 W C 2.651 179.181 176.519 0.018 0.000 1.208 346 W CA 1.783 59.153 57.345 0.042 0.000 1.274 346 W CB -0.312 29.182 29.460 0.056 0.000 1.138 346 W HN 0.066 nan 8.180 nan 0.000 0.515 347 A N -0.830 122.158 122.820 0.280 0.000 2.030 347 A HA 0.192 4.512 4.320 -0.000 0.000 0.215 347 A C 2.205 179.898 177.584 0.182 0.000 1.164 347 A CA 1.329 53.480 52.037 0.189 0.000 0.697 347 A CB -1.157 17.926 19.000 0.140 0.000 0.827 347 A HN 0.235 nan 8.150 nan 0.000 0.457 348 G N -0.230 108.677 108.800 0.177 0.000 2.448 348 G HA2 -0.010 3.950 3.960 -0.000 0.000 0.218 348 G HA3 -0.010 3.950 3.960 -0.000 0.000 0.218 348 G C 1.176 176.205 174.900 0.215 0.000 1.135 348 G CA 0.589 45.802 45.100 0.188 0.000 0.784 348 G HN 0.421 nan 8.290 nan 0.000 0.543 349 L N 0.021 121.350 121.223 0.177 0.000 2.645 349 L HA 0.268 4.608 4.340 -0.000 0.000 0.234 349 L C 1.857 178.807 176.870 0.133 0.000 1.165 349 L CA 0.128 55.073 54.840 0.176 0.000 0.944 349 L CB 0.053 42.160 42.059 0.080 0.000 1.149 349 L HN 0.291 nan 8.230 nan 0.000 0.446 350 E N -1.260 119.033 120.200 0.154 0.000 2.756 350 E HA -0.092 4.258 4.350 -0.000 0.000 0.192 350 E C 1.421 178.121 176.600 0.166 0.000 1.022 350 E CA 0.084 56.561 56.400 0.127 0.000 1.224 350 E CB -0.195 29.574 29.700 0.116 0.000 1.252 350 E HN 0.349 nan 8.360 nan 0.000 0.494 351 W N 3.688 125.012 121.300 0.041 0.000 2.304 351 W HA -0.250 4.410 4.660 -0.000 0.000 0.315 351 W C 2.219 178.754 176.519 0.027 0.000 1.233 351 W CA 2.478 59.843 57.345 0.034 0.000 1.261 351 W CB 0.055 29.537 29.460 0.036 0.000 1.150 351 W HN -0.060 nan 8.180 nan 0.000 0.494 352 K N -0.010 120.525 120.400 0.225 0.000 1.967 352 K HA -0.100 4.220 4.320 -0.000 0.000 0.212 352 K C 1.820 178.366 176.600 -0.089 0.000 1.044 352 K CA 1.752 58.051 56.287 0.019 0.000 0.942 352 K CB -0.738 31.864 32.500 0.170 0.000 0.726 352 K HN 0.028 nan 8.250 nan 0.000 0.440 353 A N 0.213 123.048 122.820 0.024 0.000 2.346 353 A HA 0.158 4.478 4.320 -0.000 0.000 0.242 353 A C 1.235 178.825 177.584 0.010 0.000 1.323 353 A CA 0.591 52.651 52.037 0.038 0.000 0.940 353 A CB -0.399 18.740 19.000 0.231 0.000 0.943 353 A HN 0.584 nan 8.150 nan 0.000 0.501 354 G N -0.165 108.603 108.800 -0.054 0.000 3.020 354 G HA2 0.064 4.024 3.960 -0.000 0.000 0.217 354 G HA3 0.064 4.024 3.960 -0.000 0.000 0.217 354 G C 1.465 176.308 174.900 -0.095 0.000 1.144 354 G CA 0.410 45.478 45.100 -0.054 0.000 0.760 354 G HN 0.627 nan 8.290 nan 0.000 0.548 355 R N 0.261 120.671 120.500 -0.150 0.000 2.175 355 R HA 0.292 4.632 4.340 -0.000 0.000 0.202 355 R C 0.967 177.210 176.300 -0.095 0.000 1.018 355 R CA -0.451 55.560 56.100 -0.148 0.000 1.029 355 R CB -0.129 30.034 30.300 -0.229 0.000 0.959 355 R HN 0.100 nan 8.270 nan 0.000 0.480 356 R N 0.000 120.449 120.500 -0.084 0.000 2.786 356 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 356 R CA 0.000 56.068 56.100 -0.053 0.000 0.921 356 R CB 0.000 30.273 30.300 -0.045 0.000 0.687 356 R HN 0.000 nan 8.270 nan 0.000 0.535