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 3cnj_1_A DATA FIRST_RESID 8 DATA SEQUENCE GGYVPAVVIG TGYGAAVSAL RLGEAGVQTL MLEMGQLWNQ PGPDGNIFCG DATA SEQUENCE MLNPDKRSSW FKNRTEAPLG SFLWLDVVNR NIDPYAGVLD RVNYDQMSVY DATA SEQUENCE VGRGVGGGSL VNGGMAVEPK RSYFEEILPR VDSSEMYDRY FPRANSMLRV DATA SEQUENCE NHIDTKWFED TEWYKFARVS REQAGKAGLG TVFVPNVYDF GYMQREAAGE DATA SEQUENCE VPKSALATEV IYGNNHGKQS LDKTYLAAAL GTGKVTIQTL HQVKTIRQTK DATA SEQUENCE DGGYALTVEQ KDTDGKLLAT KEISCRYLFL GAGSLGSTEL LVRARDTGTL DATA SEQUENCE PNLNSEVGAG WGPNGNIMTA RANHMWNPTG AHQSSIPALG IDAWDNSDSS DATA SEQUENCE VWAEIAPMPA GLETWVSLYL AITKNPQRGT FVYDAATDRA KLNWTRDQNA DATA SEQUENCE PAVNAAKALF DRINKANGTI YRYDLFGTQL KAFADDFCYH PLGGCVLGKA DATA SEQUENCE TDDYGRVAGY KNLYVTDGSL IPGSVGVNPF VTITALAERN VERIIKQDV 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 8 G HA2 0.000 nan 3.960 nan 0.000 0.244 8 G HA3 0.000 3.566 3.960 -0.657 0.000 0.244 8 G C 0.000 174.927 174.900 0.045 0.000 0.946 8 G CA 0.000 45.128 45.100 0.047 0.000 0.502 9 G N -1.488 107.344 108.800 0.054 0.000 2.351 9 G HA2 0.511 4.077 3.960 -0.657 0.000 0.279 9 G HA3 0.511 4.077 3.960 -0.657 0.000 0.279 9 G C -1.904 173.062 174.900 0.109 0.000 1.297 9 G CA -0.244 44.904 45.100 0.080 0.000 0.886 9 G HN 1.640 nan 8.290 nan 0.000 0.493 10 Y N 0.261 120.566 120.300 0.009 0.000 2.323 10 Y HA 0.679 4.835 4.550 -0.656 0.000 0.331 10 Y C -0.103 175.807 175.900 0.016 0.000 1.092 10 Y CA -0.506 57.600 58.100 0.009 0.000 1.150 10 Y CB 1.712 40.171 38.460 -0.000 0.000 1.200 10 Y HN 0.468 nan 8.280 nan 0.000 0.472 11 V N 8.252 127.738 119.914 -0.713 0.000 2.789 11 V HA 0.292 4.018 4.120 -0.657 0.000 0.311 11 V C -2.087 173.516 176.094 -0.819 0.000 1.073 11 V CA -1.885 60.099 62.300 -0.526 0.000 0.921 11 V CB 1.925 33.619 31.823 -0.215 0.000 1.009 11 V HN 0.646 nan 8.190 nan 0.000 0.426 12 P HA -0.067 nan 4.420 nan 0.000 0.214 12 P C 0.112 177.421 177.300 0.014 0.000 1.163 12 P CA 1.636 64.644 63.100 -0.153 0.000 0.889 12 P CB 0.295 32.074 31.700 0.131 0.000 0.790 13 A N -1.158 121.726 122.820 0.107 0.000 2.355 13 A HA 0.566 4.492 4.320 -0.657 0.000 0.317 13 A C -1.013 176.635 177.584 0.107 0.000 1.094 13 A CA -0.481 51.702 52.037 0.242 0.000 0.764 13 A CB 1.413 20.600 19.000 0.312 0.000 1.230 13 A HN -0.130 nan 8.150 nan 0.000 0.448 14 V N 2.271 122.277 119.914 0.154 0.000 2.555 14 V HA 0.518 4.244 4.120 -0.657 0.000 0.302 14 V C -0.487 175.706 176.094 0.165 0.000 1.038 14 V CA -0.499 61.856 62.300 0.092 0.000 0.887 14 V CB 1.789 33.638 31.823 0.044 0.000 0.991 14 V HN 0.669 nan 8.190 nan 0.000 0.434 15 V N 5.883 125.846 119.914 0.082 0.000 2.409 15 V HA 0.488 4.214 4.120 -0.657 0.000 0.291 15 V C -0.144 175.973 176.094 0.039 0.000 1.020 15 V CA -0.459 61.890 62.300 0.081 0.000 0.848 15 V CB 1.726 33.540 31.823 -0.015 0.000 0.990 15 V HN 0.662 nan 8.190 nan 0.000 0.430 16 I N 4.889 125.487 120.570 0.046 0.000 2.325 16 I HA 0.681 4.457 4.170 -0.657 0.000 0.291 16 I C 0.927 177.046 176.117 0.004 0.000 1.019 16 I CA 0.300 61.610 61.300 0.017 0.000 1.302 16 I CB 0.817 38.821 38.000 0.006 0.000 1.401 16 I HN 0.904 nan 8.210 nan 0.000 0.485 17 G N 4.353 113.149 108.800 -0.007 0.000 2.707 17 G HA2 -0.127 3.439 3.960 -0.657 0.000 0.686 17 G HA3 -0.127 3.439 3.960 -0.657 0.000 0.686 17 G C -0.035 174.845 174.900 -0.034 0.000 1.315 17 G CA -0.233 44.855 45.100 -0.020 0.000 0.832 17 G HN 0.855 nan 8.290 nan 0.000 0.573 18 T N -2.021 112.504 114.554 -0.048 0.000 3.604 18 T HA 0.643 4.599 4.350 -0.657 0.000 0.305 18 T C 1.139 175.763 174.700 -0.127 0.000 0.978 18 T CA 0.952 63.007 62.100 -0.075 0.000 0.999 18 T CB 0.295 69.132 68.868 -0.053 0.000 1.204 18 T HN 1.972 nan 8.240 nan 0.000 0.476 19 G N 0.501 109.228 108.800 -0.122 0.000 2.504 19 G HA2 0.436 4.002 3.960 -0.657 0.000 0.257 19 G HA3 0.436 4.002 3.960 -0.657 0.000 0.257 19 G C 0.302 175.046 174.900 -0.259 0.000 1.451 19 G CA -0.685 44.300 45.100 -0.192 0.000 1.059 19 G HN 0.237 nan 8.290 nan 0.000 0.550 20 Y N 0.503 120.728 120.300 -0.125 0.000 2.114 20 Y HA -0.055 4.101 4.550 -0.657 0.000 0.284 20 Y C 3.054 178.827 175.900 -0.212 0.000 1.143 20 Y CA 1.760 59.748 58.100 -0.186 0.000 1.135 20 Y CB -0.585 37.800 38.460 -0.125 0.000 0.980 20 Y HN 0.451 nan 8.280 nan 0.000 0.499 21 G N -0.527 108.283 108.800 0.016 0.000 2.418 21 G HA2 -0.243 3.323 3.960 -0.657 0.000 0.217 21 G HA3 -0.243 3.323 3.960 -0.657 0.000 0.217 21 G C 1.893 176.740 174.900 -0.089 0.000 1.158 21 G CA 1.035 46.111 45.100 -0.040 0.000 0.771 21 G HN 0.481 nan 8.290 nan 0.000 0.545 22 A N 1.192 123.965 122.820 -0.079 0.000 1.877 22 A HA 0.253 4.179 4.320 -0.657 0.000 0.216 22 A C 2.828 180.321 177.584 -0.152 0.000 1.186 22 A CA 2.380 54.361 52.037 -0.093 0.000 0.620 22 A CB -0.846 18.113 19.000 -0.069 0.000 0.822 22 A HN 0.792 nan 8.150 nan 0.000 0.443 23 A N -0.642 122.064 122.820 -0.191 0.000 1.898 23 A HA 0.033 3.959 4.320 -0.657 0.000 0.216 23 A C 2.238 179.682 177.584 -0.234 0.000 1.181 23 A CA 1.720 53.642 52.037 -0.192 0.000 0.620 23 A CB -0.954 17.912 19.000 -0.223 0.000 0.819 23 A HN 0.381 nan 8.150 nan 0.000 0.442 24 V N 1.046 120.706 119.914 -0.423 0.000 2.287 24 V HA -0.274 3.452 4.120 -0.657 0.000 0.248 24 V C 3.070 179.045 176.094 -0.198 0.000 1.053 24 V CA 2.535 64.596 62.300 -0.398 0.000 1.027 24 V CB -1.039 30.526 31.823 -0.431 0.000 0.646 24 V HN 0.827 nan 8.190 nan 0.000 0.447 25 S N 1.056 116.615 115.700 -0.235 0.000 2.368 25 S HA -0.145 3.931 4.470 -0.657 0.000 0.225 25 S C 2.110 176.497 174.600 -0.356 0.000 1.030 25 S CA 1.380 59.381 58.200 -0.331 0.000 0.999 25 S CB -0.588 62.357 63.200 -0.425 0.000 0.844 25 S HN 0.577 nan 8.310 nan 0.000 0.459 26 A N 1.931 124.593 122.820 -0.263 0.000 1.902 26 A HA 0.080 4.006 4.320 -0.657 0.000 0.217 26 A C 2.248 179.753 177.584 -0.131 0.000 1.181 26 A CA 1.566 53.481 52.037 -0.203 0.000 0.623 26 A CB -0.938 17.980 19.000 -0.137 0.000 0.818 26 A HN 0.557 nan 8.150 nan 0.000 0.443 27 L N -0.366 120.817 121.223 -0.066 0.000 2.012 27 L HA -0.156 3.790 4.340 -0.657 0.000 0.210 27 L C 2.341 179.183 176.870 -0.046 0.000 1.073 27 L CA 1.978 56.812 54.840 -0.010 0.000 0.748 27 L CB -0.503 41.620 42.059 0.108 0.000 0.891 27 L HN 0.231 nan 8.230 nan 0.000 0.431 28 R N -0.358 120.099 120.500 -0.072 0.000 2.090 28 R HA -0.003 3.943 4.340 -0.657 0.000 0.228 28 R C 2.323 178.547 176.300 -0.126 0.000 1.110 28 R CA 1.350 57.400 56.100 -0.084 0.000 0.973 28 R CB -1.095 29.152 30.300 -0.088 0.000 0.869 28 R HN 0.424 nan 8.270 nan 0.000 0.440 29 L N -0.191 120.915 121.223 -0.195 0.000 2.012 29 L HA -0.113 3.833 4.340 -0.657 0.000 0.210 29 L C 2.506 179.308 176.870 -0.114 0.000 1.073 29 L CA 1.717 56.439 54.840 -0.197 0.000 0.748 29 L CB -0.957 40.929 42.059 -0.287 0.000 0.891 29 L HN 0.292 nan 8.230 nan 0.000 0.431 30 G N -0.693 108.049 108.800 -0.096 0.000 2.418 30 G HA2 -0.232 3.334 3.960 -0.657 0.000 0.217 30 G HA3 -0.232 3.334 3.960 -0.657 0.000 0.217 30 G C 1.416 176.288 174.900 -0.045 0.000 1.158 30 G CA 0.541 45.605 45.100 -0.060 0.000 0.771 30 G HN 0.416 nan 8.290 nan 0.000 0.545 31 E N 0.413 120.585 120.200 -0.047 0.000 2.204 31 E HA 0.004 3.960 4.350 -0.657 0.000 0.195 31 E C 2.610 179.189 176.600 -0.034 0.000 0.990 31 E CA 0.627 57.005 56.400 -0.036 0.000 0.821 31 E CB -0.088 29.593 29.700 -0.032 0.000 0.750 31 E HN 0.438 nan 8.360 nan 0.000 0.477 32 A N 0.147 122.939 122.820 -0.047 0.000 2.238 32 A HA 0.253 4.179 4.320 -0.657 0.000 0.208 32 A C 1.648 179.216 177.584 -0.026 0.000 1.177 32 A CA 0.753 52.765 52.037 -0.042 0.000 0.804 32 A CB -0.200 18.760 19.000 -0.066 0.000 0.823 32 A HN 0.315 nan 8.150 nan 0.000 0.482 33 G N -1.520 107.268 108.800 -0.021 0.000 2.136 33 G HA2 -0.187 3.379 3.960 -0.657 0.000 0.242 33 G HA3 -0.187 3.379 3.960 -0.657 0.000 0.242 33 G C 0.067 174.973 174.900 0.011 0.000 0.989 33 G CA 0.108 45.206 45.100 -0.003 0.000 0.682 33 G HN 0.807 nan 8.290 nan 0.000 0.522 34 V N 1.172 121.086 119.914 -0.000 0.000 2.385 34 V HA 0.462 4.188 4.120 -0.657 0.000 0.269 34 V C 0.779 176.886 176.094 0.023 0.000 1.043 34 V CA -0.447 61.873 62.300 0.033 0.000 0.906 34 V CB 1.522 33.353 31.823 0.014 0.000 0.995 34 V HN 0.477 nan 8.190 nan 0.000 0.467 35 Q N 3.890 123.716 119.800 0.043 0.000 2.274 35 Q HA 0.233 4.179 4.340 -0.657 0.000 0.280 35 Q C -0.199 175.806 176.000 0.008 0.000 1.047 35 Q CA 0.809 56.623 55.803 0.019 0.000 0.907 35 Q CB 0.654 29.407 28.738 0.026 0.000 1.171 35 Q HN 0.853 nan 8.270 nan 0.000 0.381 36 T N 4.821 119.365 114.554 -0.017 0.000 2.881 36 T HA 0.488 4.444 4.350 -0.657 0.000 0.290 36 T C -1.561 173.114 174.700 -0.040 0.000 1.000 36 T CA -0.631 61.453 62.100 -0.028 0.000 0.978 36 T CB 0.860 69.692 68.868 -0.061 0.000 0.997 36 T HN 0.551 nan 8.240 nan 0.000 0.443 37 L N 4.400 125.599 121.223 -0.040 0.000 2.305 37 L HA 0.672 4.618 4.340 -0.657 0.000 0.284 37 L C -0.747 176.096 176.870 -0.045 0.000 1.013 37 L CA -0.487 54.322 54.840 -0.051 0.000 0.819 37 L CB 0.910 42.932 42.059 -0.061 0.000 1.227 37 L HN 0.665 nan 8.230 nan 0.000 0.417 38 M N 6.391 125.958 119.600 -0.054 0.000 2.209 38 M HA 0.430 4.516 4.480 -0.657 0.000 0.355 38 M C -1.024 175.244 176.300 -0.053 0.000 1.171 38 M CA -0.362 54.911 55.300 -0.046 0.000 1.069 38 M CB 1.371 33.941 32.600 -0.050 0.000 1.622 38 M HN 0.436 nan 8.290 nan 0.000 0.459 39 L N 2.726 123.932 121.223 -0.029 0.000 2.298 39 L HA 0.468 4.414 4.340 -0.657 0.000 0.284 39 L C -0.395 176.484 176.870 0.015 0.000 1.013 39 L CA -0.518 54.314 54.840 -0.013 0.000 0.824 39 L CB 1.228 43.297 42.059 0.016 0.000 1.221 39 L HN 0.595 nan 8.230 nan 0.000 0.418 40 E N 3.531 123.749 120.200 0.030 0.000 2.176 40 E HA 0.292 4.248 4.350 -0.657 0.000 0.267 40 E C 0.449 177.100 176.600 0.086 0.000 0.893 40 E CA -0.683 55.740 56.400 0.039 0.000 0.761 40 E CB 1.662 31.378 29.700 0.027 0.000 1.133 40 E HN 0.600 nan 8.360 nan 0.000 0.409 41 M N 2.068 121.708 119.600 0.067 0.000 2.319 41 M HA 0.282 4.368 4.480 -0.657 0.000 0.265 41 M C 0.913 177.348 176.300 0.224 0.000 1.068 41 M CA 0.992 56.369 55.300 0.128 0.000 1.118 41 M CB 0.032 32.678 32.600 0.077 0.000 1.395 41 M HN 0.336 nan 8.290 nan 0.000 0.435 42 G N 0.768 109.653 108.800 0.141 0.000 2.531 42 G HA2 0.414 3.980 3.960 -0.657 0.000 0.281 42 G HA3 0.414 3.980 3.960 -0.657 0.000 0.281 42 G C -0.882 174.114 174.900 0.161 0.000 1.382 42 G CA -0.774 44.489 45.100 0.272 0.000 1.045 42 G HN 0.442 nan 8.290 nan 0.000 0.533 43 Q N -1.187 118.652 119.800 0.064 0.000 2.260 43 Q HA 0.356 4.302 4.340 -0.657 0.000 0.238 43 Q C -0.748 175.133 176.000 -0.198 0.000 0.948 43 Q CA -0.801 54.860 55.803 -0.237 0.000 0.895 43 Q CB 2.087 30.371 28.738 -0.758 0.000 1.218 43 Q HN 0.316 nan 8.270 nan 0.000 0.470 44 L N 1.587 122.697 121.223 -0.189 0.000 2.385 44 L HA 0.134 4.080 4.340 -0.657 0.000 0.281 44 L C -1.354 175.397 176.870 -0.198 0.000 1.106 44 L CA 0.289 55.073 54.840 -0.095 0.000 0.856 44 L CB 0.043 42.063 42.059 -0.064 0.000 1.186 44 L HN 0.483 nan 8.230 nan 0.000 0.453 45 W N 6.625 127.925 121.300 -0.000 0.000 2.247 45 W HA 0.290 4.559 4.660 -0.653 0.000 0.394 45 W C 0.622 177.039 176.519 -0.170 0.000 0.939 45 W CA -0.391 56.901 57.345 -0.088 0.000 1.548 45 W CB 0.069 29.516 29.460 -0.022 0.000 1.610 45 W HN 0.771 nan 8.180 nan 0.000 0.336 46 N N 0.056 118.730 118.700 -0.045 0.000 2.142 46 N HA 0.009 4.356 4.740 -0.657 0.000 0.233 46 N C -0.393 175.072 175.510 -0.076 0.000 1.335 46 N CA -0.192 52.822 53.050 -0.059 0.000 0.837 46 N CB 0.104 38.568 38.487 -0.038 0.000 1.238 46 N HN 0.103 nan 8.380 nan 0.000 0.501 47 Q N 1.328 121.074 119.800 -0.090 0.000 2.312 47 Q HA 0.533 4.479 4.340 -0.657 0.000 0.263 47 Q C -2.644 173.323 176.000 -0.056 0.000 0.995 47 Q CA -1.773 53.988 55.803 -0.070 0.000 0.853 47 Q CB 2.104 30.797 28.738 -0.076 0.000 1.300 47 Q HN 0.167 nan 8.270 nan 0.000 0.448 48 P HA 0.075 nan 4.420 nan 0.000 0.268 48 P C 0.094 177.384 177.300 -0.016 0.000 1.205 48 P CA 0.093 63.177 63.100 -0.028 0.000 0.771 48 P CB 0.595 32.285 31.700 -0.016 0.000 0.858 49 G N 2.869 111.668 108.800 -0.002 0.000 2.543 49 G HA2 0.287 3.854 3.960 -0.657 0.000 0.290 49 G HA3 0.287 3.854 3.960 -0.657 0.000 0.290 49 G C -1.749 173.147 174.900 -0.007 0.000 1.310 49 G CA -1.423 43.677 45.100 0.001 0.000 1.025 49 G HN 0.240 nan 8.290 nan 0.000 0.502 50 P HA -0.041 nan 4.420 nan 0.000 0.223 50 P C 0.692 177.991 177.300 -0.002 0.000 1.144 50 P CA 1.357 64.447 63.100 -0.017 0.000 0.783 50 P CB 0.173 31.854 31.700 -0.032 0.000 0.771 51 D N -2.689 117.717 120.400 0.010 0.000 2.340 51 D HA 0.156 4.402 4.640 -0.657 0.000 0.217 51 D C 1.411 177.729 176.300 0.029 0.000 1.081 51 D CA 0.240 54.254 54.000 0.023 0.000 0.842 51 D CB -0.863 39.958 40.800 0.035 0.000 0.934 51 D HN 0.152 nan 8.370 nan 0.000 0.511 52 G N -0.060 108.752 108.800 0.020 0.000 2.179 52 G HA2 -0.282 3.284 3.960 -0.657 0.000 0.260 52 G HA3 -0.282 3.284 3.960 -0.657 0.000 0.260 52 G C 0.004 174.918 174.900 0.024 0.000 0.977 52 G CA -0.001 45.112 45.100 0.022 0.000 0.641 52 G HN 0.424 nan 8.290 nan 0.000 0.533 53 N N -0.571 118.146 118.700 0.028 0.000 2.443 53 N HA 0.626 4.972 4.740 -0.657 0.000 0.293 53 N C 1.605 177.102 175.510 -0.022 0.000 1.159 53 N CA -0.537 52.524 53.050 0.018 0.000 0.904 53 N CB 1.373 39.896 38.487 0.061 0.000 1.214 53 N HN 0.017 nan 8.380 nan 0.000 0.513 54 I N 0.017 120.520 120.570 -0.111 0.000 2.202 54 I HA -0.084 3.692 4.170 -0.657 0.000 0.242 54 I C 0.082 176.063 176.117 -0.225 0.000 1.091 54 I CA 1.342 62.490 61.300 -0.252 0.000 1.368 54 I CB 0.036 37.714 38.000 -0.535 0.000 1.058 54 I HN 0.288 nan 8.210 nan 0.000 0.410 55 F N -0.665 119.329 119.950 0.073 0.000 2.507 55 F HA 0.353 4.486 4.527 -0.656 0.000 0.327 55 F C 0.484 176.310 175.800 0.043 0.000 1.068 55 F CA -1.403 56.607 58.000 0.017 0.000 0.965 55 F CB 0.528 39.488 39.000 -0.066 0.000 1.192 55 F HN -0.122 nan 8.300 nan 0.000 0.476 56 C N 1.370 120.831 119.300 0.268 0.000 2.700 56 C HA 0.556 4.622 4.460 -0.657 0.000 0.397 56 C C 1.073 176.216 174.990 0.256 0.000 1.301 56 C CA -0.490 58.653 59.018 0.207 0.000 2.219 56 C CB -0.157 27.670 27.740 0.144 0.000 2.699 56 C HN 0.956 nan 8.230 nan 0.000 0.669 57 G N 0.818 109.743 108.800 0.210 0.000 2.491 57 G HA2 0.501 4.067 3.960 -0.657 0.000 0.327 57 G HA3 0.501 4.067 3.960 -0.657 0.000 0.327 57 G C 0.328 175.394 174.900 0.276 0.000 1.189 57 G CA -0.644 44.573 45.100 0.195 0.000 0.956 57 G HN 0.648 nan 8.290 nan 0.000 0.491 58 M N -0.174 119.516 119.600 0.151 0.000 2.296 58 M HA 0.086 4.172 4.480 -0.657 0.000 0.265 58 M C 2.115 178.515 176.300 0.167 0.000 1.064 58 M CA 1.179 56.567 55.300 0.148 0.000 1.109 58 M CB -0.258 32.315 32.600 -0.044 0.000 1.396 58 M HN 0.372 nan 8.290 nan 0.000 0.430 59 L N 0.223 121.513 121.223 0.112 0.000 2.558 59 L HA 0.046 3.992 4.340 -0.657 0.000 0.225 59 L C 0.558 177.479 176.870 0.086 0.000 1.128 59 L CA 0.069 54.961 54.840 0.088 0.000 0.868 59 L CB -0.606 41.492 42.059 0.064 0.000 1.006 59 L HN 0.408 nan 8.230 nan 0.000 0.454 60 N N -0.786 117.977 118.700 0.106 0.000 2.642 60 N HA 0.204 4.550 4.740 -0.657 0.000 0.308 60 N C -2.941 172.608 175.510 0.065 0.000 1.914 60 N CA -1.530 51.565 53.050 0.074 0.000 0.893 60 N CB 0.056 38.581 38.487 0.063 0.000 1.322 60 N HN -0.048 nan 8.380 nan 0.000 0.490 61 P HA 0.163 nan 4.420 nan 0.000 0.271 61 P C -0.605 176.648 177.300 -0.077 0.000 1.218 61 P CA 0.397 63.462 63.100 -0.058 0.000 0.780 61 P CB 1.212 32.869 31.700 -0.071 0.000 0.901 62 D N 1.206 121.531 120.400 -0.124 0.000 2.958 62 D HA 0.139 4.385 4.640 -0.657 0.000 0.306 62 D C 1.084 177.309 176.300 -0.125 0.000 1.226 62 D CA -0.686 53.253 54.000 -0.101 0.000 1.032 62 D CB 0.130 40.883 40.800 -0.078 0.000 1.400 62 D HN 0.277 nan 8.370 nan 0.000 0.587 63 K N -0.130 120.185 120.400 -0.141 0.000 2.211 63 K HA -0.087 3.839 4.320 -0.657 0.000 0.204 63 K C 1.555 178.153 176.600 -0.004 0.000 1.047 63 K CA 0.820 57.025 56.287 -0.136 0.000 0.935 63 K CB -0.178 32.148 32.500 -0.289 0.000 0.728 63 K HN 0.203 nan 8.250 nan 0.000 0.452 64 R N 0.791 121.296 120.500 0.009 0.000 2.241 64 R HA 0.022 3.968 4.340 -0.657 0.000 0.224 64 R C 1.888 178.275 176.300 0.146 0.000 1.101 64 R CA 1.060 57.339 56.100 0.297 0.000 0.995 64 R CB -0.088 30.396 30.300 0.306 0.000 0.870 64 R HN 0.186 nan 8.270 nan 0.000 0.463 65 S N -0.371 115.256 115.700 -0.122 0.000 2.489 65 S HA 0.022 4.098 4.470 -0.657 0.000 0.228 65 S C 0.529 175.062 174.600 -0.112 0.000 0.995 65 S CA 0.317 58.257 58.200 -0.434 0.000 0.934 65 S CB 0.257 62.795 63.200 -1.103 0.000 0.771 65 S HN 0.146 nan 8.310 nan 0.000 0.522 66 S N 0.160 115.885 115.700 0.042 0.000 2.575 66 S HA 0.349 4.425 4.470 -0.657 0.000 0.278 66 S C -1.717 172.979 174.600 0.159 0.000 1.139 66 S CA -0.690 57.580 58.200 0.118 0.000 0.954 66 S CB 0.802 64.037 63.200 0.057 0.000 1.054 66 S HN 0.504 nan 8.310 nan 0.000 0.483 67 W N 6.924 128.255 121.300 0.051 0.000 2.585 67 W HA 0.272 4.537 4.660 -0.658 0.000 0.337 67 W C -1.050 175.526 176.519 0.095 0.000 1.226 67 W CA -0.450 56.919 57.345 0.040 0.000 1.463 67 W CB -0.530 29.025 29.460 0.158 0.000 1.458 67 W HN 0.874 nan 8.180 nan 0.000 0.458 68 F N 3.698 123.496 119.950 -0.254 0.000 2.866 68 F HA -0.335 3.799 4.527 -0.656 0.000 0.254 68 F C 0.424 176.195 175.800 -0.050 0.000 1.009 68 F CA 1.122 58.978 58.000 -0.240 0.000 0.907 68 F CB -1.015 37.727 39.000 -0.428 0.000 0.859 68 F HN 0.155 nan 8.300 nan 0.000 0.842 69 K N 0.659 121.090 120.400 0.052 0.000 2.350 69 K HA 0.464 4.390 4.320 -0.657 0.000 0.241 69 K C 0.683 177.309 176.600 0.043 0.000 0.994 69 K CA -0.680 55.651 56.287 0.073 0.000 0.839 69 K CB 1.254 33.806 32.500 0.086 0.000 1.244 69 K HN 0.127 nan 8.250 nan 0.000 0.443 70 N N 0.328 119.056 118.700 0.047 0.000 2.230 70 N HA 0.027 4.373 4.740 -0.657 0.000 0.202 70 N C -0.144 175.384 175.510 0.030 0.000 1.119 70 N CA -0.151 52.919 53.050 0.033 0.000 0.851 70 N CB 0.704 39.213 38.487 0.035 0.000 0.990 70 N HN 0.448 nan 8.380 nan 0.000 0.497 71 R N -0.034 120.489 120.500 0.040 0.000 2.604 71 R HA 0.261 4.207 4.340 -0.657 0.000 0.270 71 R C -0.970 175.361 176.300 0.052 0.000 1.052 71 R CA -0.439 55.687 56.100 0.043 0.000 0.902 71 R CB 1.110 31.444 30.300 0.057 0.000 1.233 71 R HN 0.193 nan 8.270 nan 0.000 0.455 72 T N -0.276 114.301 114.554 0.038 0.000 2.802 72 T HA 0.223 4.179 4.350 -0.657 0.000 0.305 72 T C 0.071 174.838 174.700 0.113 0.000 1.053 72 T CA -0.409 61.718 62.100 0.045 0.000 1.058 72 T CB 1.215 70.085 68.868 0.004 0.000 0.988 72 T HN 0.596 nan 8.240 nan 0.000 0.539 73 E N -0.297 120.003 120.200 0.168 0.000 2.238 73 E HA 0.581 4.537 4.350 -0.657 0.000 0.267 73 E C -0.631 176.134 176.600 0.274 0.000 0.887 73 E CA -0.965 55.578 56.400 0.239 0.000 0.769 73 E CB 1.736 31.604 29.700 0.279 0.000 1.187 73 E HN 0.975 nan 8.360 nan 0.000 0.416 74 A N 4.496 127.484 122.820 0.279 0.000 2.425 74 A HA 0.397 4.323 4.320 -0.657 0.000 0.249 74 A C -2.317 175.405 177.584 0.230 0.000 1.084 74 A CA -1.226 50.957 52.037 0.244 0.000 0.781 74 A CB -0.069 19.079 19.000 0.245 0.000 1.019 74 A HN 0.411 nan 8.150 nan 0.000 0.490 75 P HA 0.078 nan 4.420 nan 0.000 0.266 75 P C -0.468 176.889 177.300 0.095 0.000 1.195 75 P CA 0.159 63.300 63.100 0.068 0.000 0.768 75 P CB 0.266 31.950 31.700 -0.027 0.000 0.838 76 L N 2.685 123.936 121.223 0.046 0.000 2.559 76 L HA 0.130 4.077 4.340 -0.657 0.000 0.274 76 L C 1.739 178.671 176.870 0.103 0.000 1.205 76 L CA 1.232 56.103 54.840 0.053 0.000 0.907 76 L CB -0.785 41.159 42.059 -0.193 0.000 1.153 76 L HN 0.838 nan 8.230 nan 0.000 0.490 77 G N 1.914 110.822 108.800 0.180 0.000 2.259 77 G HA2 -0.248 3.318 3.960 -0.657 0.000 0.217 77 G HA3 -0.248 3.318 3.960 -0.657 0.000 0.217 77 G C 0.739 175.708 174.900 0.115 0.000 1.001 77 G CA 0.199 45.333 45.100 0.057 0.000 0.627 77 G HN 0.546 nan 8.290 nan 0.000 0.501 78 S N -0.196 115.619 115.700 0.191 0.000 2.730 78 S HA 0.362 4.438 4.470 -0.657 0.000 0.244 78 S C 1.080 175.835 174.600 0.259 0.000 1.022 78 S CA 0.297 58.696 58.200 0.331 0.000 1.014 78 S CB 0.102 63.435 63.200 0.222 0.000 0.963 78 S HN 0.509 nan 8.310 nan 0.000 0.540 79 F N 2.758 122.725 119.950 0.029 0.000 2.147 79 F HA -0.161 3.972 4.527 -0.657 0.000 0.301 79 F C 1.538 177.239 175.800 -0.165 0.000 1.084 79 F CA 1.596 59.576 58.000 -0.033 0.000 1.268 79 F CB -0.252 38.724 39.000 -0.039 0.000 1.009 79 F HN 0.203 nan 8.300 nan 0.000 0.486 80 L N -1.243 119.789 121.223 -0.319 0.000 2.191 80 L HA -0.239 3.707 4.340 -0.657 0.000 0.212 80 L C 1.897 178.231 176.870 -0.893 0.000 1.103 80 L CA 1.005 55.373 54.840 -0.787 0.000 0.769 80 L CB -0.570 40.654 42.059 -1.391 0.000 0.908 80 L HN 0.392 nan 8.230 nan 0.000 0.438 81 W N -2.196 119.032 121.300 -0.120 0.000 2.871 81 W HA 0.160 4.628 4.660 -0.320 0.000 0.267 81 W C 1.472 177.915 176.519 -0.126 0.000 1.180 81 W CA -0.153 57.126 57.345 -0.111 0.000 1.463 81 W CB 0.274 29.680 29.460 -0.090 0.000 0.966 81 W HN 0.067 nan 8.180 nan 0.000 0.605 82 L N 0.212 121.463 121.223 0.048 0.000 2.664 82 L HA 0.077 4.023 4.340 -0.657 0.000 0.233 82 L C 1.646 178.451 176.870 -0.108 0.000 1.113 82 L CA 1.052 55.899 54.840 0.013 0.000 0.896 82 L CB -0.549 41.557 42.059 0.079 0.000 1.163 82 L HN -0.241 nan 8.230 nan 0.000 0.497 83 D N -0.635 119.555 120.400 -0.349 0.000 2.218 83 D HA -0.185 4.061 4.640 -0.657 0.000 0.204 83 D C 2.285 178.449 176.300 -0.226 0.000 0.976 83 D CA 0.970 54.700 54.000 -0.449 0.000 0.853 83 D CB 0.258 40.399 40.800 -1.100 0.000 0.939 83 D HN 0.075 nan 8.370 nan 0.000 0.481 84 V N 0.146 119.955 119.914 -0.174 0.000 2.720 84 V HA -0.158 3.568 4.120 -0.657 0.000 0.256 84 V C 2.094 178.161 176.094 -0.045 0.000 1.082 84 V CA 1.866 64.110 62.300 -0.093 0.000 1.101 84 V CB -0.137 31.646 31.823 -0.066 0.000 0.693 84 V HN 0.358 nan 8.190 nan 0.000 0.479 85 V N -1.833 118.064 119.914 -0.028 0.000 3.649 85 V HA 0.295 4.021 4.120 -0.657 0.000 0.275 85 V C 0.882 176.981 176.094 0.009 0.000 1.281 85 V CA -0.165 62.137 62.300 0.003 0.000 1.143 85 V CB -0.943 30.897 31.823 0.028 0.000 0.892 85 V HN 0.495 nan 8.190 nan 0.000 0.441 86 N N 3.515 122.215 118.700 0.001 0.000 2.508 86 N HA 0.355 4.701 4.740 -0.657 0.000 0.264 86 N C 0.023 175.541 175.510 0.013 0.000 1.216 86 N CA 0.172 53.234 53.050 0.020 0.000 0.943 86 N CB 0.961 39.470 38.487 0.037 0.000 1.113 86 N HN 0.790 nan 8.380 nan 0.000 0.447 87 R N 0.006 120.514 120.500 0.014 0.000 2.740 87 R HA 0.436 4.382 4.340 -0.657 0.000 0.273 87 R C -1.065 175.239 176.300 0.006 0.000 0.998 87 R CA -0.931 55.171 56.100 0.005 0.000 0.900 87 R CB 0.785 31.082 30.300 -0.006 0.000 1.223 87 R HN 0.205 nan 8.270 nan 0.000 0.466 88 N N 1.841 120.543 118.700 0.005 0.000 2.492 88 N HA 0.264 4.610 4.740 -0.657 0.000 0.262 88 N C -0.191 175.313 175.510 -0.010 0.000 1.202 88 N CA -0.012 53.040 53.050 0.004 0.000 0.926 88 N CB 0.603 39.094 38.487 0.005 0.000 1.078 88 N HN 0.587 nan 8.380 nan 0.000 0.454 89 I N -2.337 118.226 120.570 -0.012 0.000 2.969 89 I HA 0.513 4.289 4.170 -0.657 0.000 0.307 89 I C -0.780 175.323 176.117 -0.023 0.000 1.149 89 I CA -1.125 60.156 61.300 -0.031 0.000 1.008 89 I CB 2.102 40.075 38.000 -0.045 0.000 1.232 89 I HN 0.006 nan 8.210 nan 0.000 0.435 90 D N 4.399 124.777 120.400 -0.037 0.000 2.350 90 D HA 0.318 4.564 4.640 -0.657 0.000 0.249 90 D C -2.411 173.883 176.300 -0.010 0.000 1.119 90 D CA -1.090 52.901 54.000 -0.015 0.000 0.886 90 D CB 1.065 41.855 40.800 -0.016 0.000 1.195 90 D HN 0.347 nan 8.370 nan 0.000 0.437 91 P HA 0.042 nan 4.420 nan 0.000 0.264 91 P C -1.061 176.150 177.300 -0.147 0.000 1.193 91 P CA 0.343 63.434 63.100 -0.015 0.000 0.763 91 P CB 0.127 31.922 31.700 0.159 0.000 0.810 92 Y N 2.059 121.859 120.300 -0.834 0.000 2.609 92 Y HA 0.540 4.696 4.550 -0.657 0.000 0.336 92 Y C -0.655 174.307 175.900 -1.564 0.000 1.129 92 Y CA -1.345 56.224 58.100 -0.884 0.000 1.040 92 Y CB 1.342 39.575 38.460 -0.379 0.000 1.310 92 Y HN 0.355 nan 8.280 nan 0.000 0.460 93 A N 2.990 124.765 122.820 -1.741 0.000 3.029 93 A HA 0.442 4.368 4.320 -0.657 0.000 0.251 93 A C 0.660 178.065 177.584 -0.298 0.000 1.749 93 A CA 0.505 51.867 52.037 -1.126 0.000 1.386 93 A CB -1.659 16.971 19.000 -0.618 0.000 1.043 93 A HN 0.953 nan 8.150 nan 0.000 0.638 94 G N -1.156 107.670 108.800 0.043 0.000 2.588 94 G HA2 0.311 3.877 3.960 -0.657 0.000 0.278 94 G HA3 0.311 3.877 3.960 -0.657 0.000 0.278 94 G C 0.938 176.230 174.900 0.654 0.000 1.307 94 G CA 0.245 45.675 45.100 0.550 0.000 1.016 94 G HN 0.505 nan 8.290 nan 0.000 0.503 95 V N -0.822 119.317 119.914 0.375 0.000 2.992 95 V HA 0.273 3.999 4.120 -0.657 0.000 0.250 95 V C 0.549 176.731 176.094 0.147 0.000 1.090 95 V CA 0.563 62.953 62.300 0.150 0.000 1.101 95 V CB -0.171 31.386 31.823 -0.444 0.000 0.743 95 V HN 0.385 nan 8.190 nan 0.000 0.468 96 L N 1.140 122.487 121.223 0.207 0.000 2.325 96 L HA 0.600 4.546 4.340 -0.657 0.000 0.281 96 L C -1.056 175.974 176.870 0.266 0.000 1.004 96 L CA -0.186 54.784 54.840 0.217 0.000 0.823 96 L CB 1.441 43.674 42.059 0.289 0.000 1.236 96 L HN 0.046 nan 8.230 nan 0.000 0.415 97 D N 4.242 124.762 120.400 0.199 0.000 2.414 97 D HA 0.231 4.477 4.640 -0.657 0.000 0.232 97 D C -0.493 175.848 176.300 0.070 0.000 1.070 97 D CA -0.340 53.767 54.000 0.177 0.000 0.839 97 D CB 0.960 41.774 40.800 0.023 0.000 1.079 97 D HN 0.489 nan 8.370 nan 0.000 0.521 98 R N 3.948 124.448 120.500 0.000 0.000 2.242 98 R HA 0.295 4.241 4.340 -0.657 0.000 0.334 98 R C -1.053 175.138 176.300 -0.182 0.000 1.071 98 R CA -0.403 55.504 56.100 -0.322 0.000 0.922 98 R CB 0.338 30.447 30.300 -0.318 0.000 1.023 98 R HN 0.178 nan 8.270 nan 0.000 0.458 99 V N 5.842 125.626 119.914 -0.217 0.000 2.348 99 V HA 0.164 3.890 4.120 -0.657 0.000 0.270 99 V C -0.213 175.667 176.094 -0.356 0.000 1.037 99 V CA -0.814 61.341 62.300 -0.242 0.000 0.872 99 V CB 1.136 32.831 31.823 -0.213 0.000 1.002 99 V HN 0.736 nan 8.190 nan 0.000 0.464 100 N N 4.797 123.296 118.700 -0.336 0.000 2.426 100 N HA 0.417 4.763 4.740 -0.657 0.000 0.257 100 N C -0.735 174.558 175.510 -0.360 0.000 1.002 100 N CA -0.096 52.808 53.050 -0.243 0.000 0.942 100 N CB 1.222 39.645 38.487 -0.107 0.000 1.112 100 N HN 0.549 nan 8.380 nan 0.000 0.499 101 Y N -0.183 120.108 120.300 -0.016 0.000 2.565 101 Y HA 0.081 4.237 4.550 -0.657 0.000 0.325 101 Y C 1.768 177.670 175.900 0.003 0.000 1.221 101 Y CA -0.893 57.193 58.100 -0.024 0.000 1.316 101 Y CB 0.710 39.120 38.460 -0.084 0.000 1.404 101 Y HN 0.400 nan 8.280 nan 0.000 0.527 102 D N -0.065 120.451 120.400 0.193 0.000 2.126 102 D HA -0.224 4.022 4.640 -0.657 0.000 0.190 102 D C 0.471 176.843 176.300 0.120 0.000 1.001 102 D CA 2.087 56.156 54.000 0.115 0.000 0.841 102 D CB 0.139 40.989 40.800 0.084 0.000 0.949 102 D HN 0.596 nan 8.370 nan 0.000 0.446 103 Q N -1.299 118.599 119.800 0.163 0.000 2.144 103 Q HA 0.302 4.248 4.340 -0.657 0.000 0.305 103 Q C -0.892 175.273 176.000 0.276 0.000 0.876 103 Q CA -0.335 55.582 55.803 0.191 0.000 1.130 103 Q CB 1.193 30.029 28.738 0.163 0.000 1.267 103 Q HN 0.222 nan 8.270 nan 0.000 0.433 104 M N 0.098 119.831 119.600 0.222 0.000 2.346 104 M HA 0.293 4.379 4.480 -0.657 0.000 0.287 104 M C -1.943 174.464 176.300 0.178 0.000 1.100 104 M CA -0.001 55.410 55.300 0.185 0.000 0.950 104 M CB 2.250 34.884 32.600 0.057 0.000 1.815 104 M HN -0.142 nan 8.290 nan 0.000 0.497 105 S N 3.087 118.889 115.700 0.169 0.000 2.530 105 S HA 0.803 4.879 4.470 -0.657 0.000 0.322 105 S C -1.072 173.620 174.600 0.154 0.000 1.085 105 S CA -0.705 57.553 58.200 0.096 0.000 1.096 105 S CB 1.249 64.495 63.200 0.076 0.000 0.988 105 S HN 0.574 nan 8.310 nan 0.000 0.466 106 V N 4.337 124.313 119.914 0.104 0.000 2.398 106 V HA 0.392 4.118 4.120 -0.657 0.000 0.286 106 V C -1.136 175.028 176.094 0.117 0.000 1.026 106 V CA -0.693 61.751 62.300 0.240 0.000 0.868 106 V CB 0.489 32.508 31.823 0.327 0.000 0.982 106 V HN 0.775 nan 8.190 nan 0.000 0.443 107 Y N 4.104 124.589 120.300 0.308 0.000 2.328 107 Y HA 0.646 4.804 4.550 -0.653 0.000 0.337 107 Y C 0.254 176.261 175.900 0.178 0.000 1.008 107 Y CA -0.664 57.583 58.100 0.246 0.000 1.129 107 Y CB 1.865 40.499 38.460 0.291 0.000 1.185 107 Y HN 0.554 nan 8.280 nan 0.000 0.476 108 V N -0.036 120.008 119.914 0.217 0.000 3.007 108 V HA 0.975 4.701 4.120 -0.657 0.000 0.311 108 V C -0.003 176.131 176.094 0.067 0.000 1.120 108 V CA -1.102 61.277 62.300 0.132 0.000 0.980 108 V CB 1.586 33.458 31.823 0.081 0.000 1.033 108 V HN 0.859 nan 8.190 nan 0.000 0.429 109 G N 2.171 110.993 108.800 0.037 0.000 2.476 109 G HA2 0.626 4.192 3.960 -0.657 0.000 0.269 109 G HA3 0.626 4.192 3.960 -0.657 0.000 0.269 109 G C -0.432 174.438 174.900 -0.051 0.000 1.195 109 G CA -0.747 44.352 45.100 -0.002 0.000 0.843 109 G HN 0.733 nan 8.290 nan 0.000 0.545 110 R N 0.807 121.292 120.500 -0.026 0.000 2.473 110 R HA 0.667 4.613 4.340 -0.657 0.000 0.303 110 R C 0.041 176.466 176.300 0.209 0.000 1.002 110 R CA -0.198 55.851 56.100 -0.085 0.000 0.884 110 R CB 1.313 31.396 30.300 -0.361 0.000 1.173 110 R HN 1.107 nan 8.270 nan 0.000 0.464 111 G N 0.216 109.124 108.800 0.180 0.000 2.356 111 G HA2 -0.015 3.551 3.960 -0.657 0.000 0.300 111 G HA3 -0.015 3.551 3.960 -0.657 0.000 0.300 111 G C -1.477 173.541 174.900 0.198 0.000 1.331 111 G CA -0.952 44.359 45.100 0.353 0.000 0.905 111 G HN 0.172 nan 8.290 nan 0.000 0.587 112 V N 1.629 121.669 119.914 0.209 0.000 2.421 112 V HA 0.468 4.194 4.120 -0.657 0.000 0.271 112 V C 1.602 177.739 176.094 0.072 0.000 1.031 112 V CA 2.168 64.527 62.300 0.099 0.000 1.032 112 V CB 0.134 32.002 31.823 0.076 0.000 1.009 112 V HN 2.588 nan 8.190 nan 0.000 0.477 113 G N 3.449 112.235 108.800 -0.024 0.000 2.231 113 G HA2 0.052 3.618 3.960 -0.657 0.000 0.206 113 G HA3 0.052 3.618 3.960 -0.657 0.000 0.206 113 G C 0.884 175.688 174.900 -0.160 0.000 0.996 113 G CA 0.126 45.156 45.100 -0.118 0.000 0.645 113 G HN 1.880 nan 8.290 nan 0.000 0.498 114 G N -0.138 108.617 108.800 -0.075 0.000 2.596 114 G HA2 0.097 3.663 3.960 -0.657 0.000 0.295 114 G HA3 0.097 3.663 3.960 -0.657 0.000 0.295 114 G C 1.755 176.622 174.900 -0.055 0.000 1.240 114 G CA 1.887 46.950 45.100 -0.063 0.000 0.985 114 G HN 1.863 nan 8.290 nan 0.000 0.555 115 G N -0.003 108.796 108.800 -0.002 0.000 2.509 115 G HA2 0.140 3.706 3.960 -0.657 0.000 0.218 115 G HA3 0.140 3.706 3.960 -0.657 0.000 0.218 115 G C 2.148 177.065 174.900 0.030 0.000 1.124 115 G CA 2.133 47.266 45.100 0.054 0.000 0.776 115 G HN 1.967 nan 8.290 nan 0.000 0.547 116 S N 0.258 115.907 115.700 -0.086 0.000 2.469 116 S HA 0.004 4.080 4.470 -0.657 0.000 0.238 116 S C 2.216 176.725 174.600 -0.153 0.000 0.998 116 S CA 0.786 58.885 58.200 -0.169 0.000 0.957 116 S CB -0.271 62.653 63.200 -0.461 0.000 0.764 116 S HN 0.328 nan 8.310 nan 0.000 0.514 117 L N 1.136 122.264 121.223 -0.158 0.000 2.109 117 L HA 0.041 3.987 4.340 -0.657 0.000 0.207 117 L C 2.539 179.225 176.870 -0.308 0.000 1.086 117 L CA 1.190 55.886 54.840 -0.239 0.000 0.760 117 L CB -0.400 41.517 42.059 -0.237 0.000 0.910 117 L HN 0.501 nan 8.230 nan 0.000 0.437 118 V N -3.701 116.093 119.914 -0.200 0.000 3.605 118 V HA 0.197 3.923 4.120 -0.657 0.000 0.284 118 V C 0.689 176.707 176.094 -0.127 0.000 1.386 118 V CA -0.328 61.855 62.300 -0.194 0.000 1.053 118 V CB -0.769 30.970 31.823 -0.140 0.000 0.857 118 V HN 0.466 nan 8.190 nan 0.000 0.436 119 N N 1.672 120.347 118.700 -0.042 0.000 2.379 119 N HA 0.396 4.743 4.740 -0.657 0.000 0.260 119 N C 1.147 176.703 175.510 0.076 0.000 1.254 119 N CA 0.209 53.290 53.050 0.051 0.000 0.958 119 N CB 0.674 39.268 38.487 0.177 0.000 1.208 119 N HN 0.073 nan 8.380 nan 0.000 0.532 120 G N -2.814 106.075 108.800 0.148 0.000 2.920 120 G HA2 0.322 3.888 3.960 -0.657 0.000 0.208 120 G HA3 0.322 3.888 3.960 -0.657 0.000 0.208 120 G C 0.933 175.963 174.900 0.217 0.000 1.159 120 G CA 0.042 45.237 45.100 0.158 0.000 0.784 120 G HN 1.267 nan 8.290 nan 0.000 0.535 121 G N -0.217 108.768 108.800 0.308 0.000 2.184 121 G HA2 -0.320 3.246 3.960 -0.657 0.000 0.264 121 G HA3 -0.320 3.246 3.960 -0.657 0.000 0.264 121 G C 0.540 175.682 174.900 0.402 0.000 0.975 121 G CA 0.438 45.768 45.100 0.383 0.000 0.642 121 G HN 0.466 nan 8.290 nan 0.000 0.536 122 M N 0.996 120.730 119.600 0.223 0.000 2.188 122 M HA 0.518 4.604 4.480 -0.657 0.000 0.354 122 M C 0.480 176.530 176.300 -0.415 0.000 1.342 122 M CA 0.617 55.927 55.300 0.017 0.000 1.117 122 M CB 1.347 33.981 32.600 0.058 0.000 1.670 122 M HN 0.472 nan 8.290 nan 0.000 0.466 123 A N 4.634 127.270 122.820 -0.307 0.000 2.328 123 A HA 0.667 4.593 4.320 -0.657 0.000 0.318 123 A C -0.737 176.678 177.584 -0.281 0.000 1.347 123 A CA -0.608 51.159 52.037 -0.450 0.000 0.842 123 A CB 0.514 19.466 19.000 -0.079 0.000 1.148 123 A HN 0.629 nan 8.150 nan 0.000 0.499 124 V N 2.835 122.518 119.914 -0.386 0.000 2.577 124 V HA 0.297 4.023 4.120 -0.657 0.000 0.303 124 V C -0.127 175.760 176.094 -0.344 0.000 1.042 124 V CA -0.680 61.429 62.300 -0.319 0.000 0.872 124 V CB 1.814 33.371 31.823 -0.443 0.000 0.998 124 V HN 0.934 nan 8.190 nan 0.000 0.423 125 E N 5.502 125.499 120.200 -0.338 0.000 2.313 125 E HA 0.336 4.292 4.350 -0.657 0.000 0.276 125 E C -2.401 173.977 176.600 -0.371 0.000 1.031 125 E CA -1.536 54.540 56.400 -0.540 0.000 0.857 125 E CB 1.203 30.469 29.700 -0.723 0.000 1.040 125 E HN 0.450 nan 8.360 nan 0.000 0.408 126 P HA 0.050 nan 4.420 nan 0.000 0.274 126 P C -0.733 176.560 177.300 -0.011 0.000 1.256 126 P CA -0.371 62.648 63.100 -0.135 0.000 0.795 126 P CB 0.581 32.320 31.700 0.066 0.000 1.038 127 K N 0.821 121.215 120.400 -0.010 0.000 2.436 127 K HA 0.023 3.949 4.320 -0.657 0.000 0.275 127 K C 1.516 178.190 176.600 0.122 0.000 0.999 127 K CA 0.129 56.450 56.287 0.058 0.000 0.980 127 K CB 0.444 33.003 32.500 0.098 0.000 0.919 127 K HN 0.389 nan 8.250 nan 0.000 0.484 128 R N 1.743 122.188 120.500 -0.092 0.000 2.081 128 R HA -0.158 3.788 4.340 -0.657 0.000 0.235 128 R C 1.988 178.304 176.300 0.028 0.000 1.131 128 R CA 2.153 58.087 56.100 -0.275 0.000 0.960 128 R CB -0.094 29.718 30.300 -0.813 0.000 0.856 128 R HN 0.774 nan 8.270 nan 0.000 0.436 129 S N -0.685 115.050 115.700 0.057 0.000 2.419 129 S HA -0.199 3.877 4.470 -0.657 0.000 0.233 129 S C 1.834 176.572 174.600 0.230 0.000 1.016 129 S CA 0.897 59.173 58.200 0.126 0.000 0.974 129 S CB -0.551 62.720 63.200 0.119 0.000 0.786 129 S HN 0.516 nan 8.310 nan 0.000 0.492 130 Y N 1.274 121.667 120.300 0.154 0.000 2.286 130 Y HA 0.146 4.303 4.550 -0.656 0.000 0.293 130 Y C 1.921 177.916 175.900 0.159 0.000 1.124 130 Y CA 0.248 58.457 58.100 0.181 0.000 1.178 130 Y CB -0.719 37.869 38.460 0.212 0.000 1.010 130 Y HN 0.294 nan 8.280 nan 0.000 0.536 131 F N 1.232 121.223 119.950 0.069 0.000 2.120 131 F HA -0.246 3.887 4.527 -0.657 0.000 0.300 131 F C 2.030 177.822 175.800 -0.013 0.000 1.095 131 F CA 2.326 60.348 58.000 0.037 0.000 1.249 131 F CB -0.170 38.988 39.000 0.263 0.000 0.995 131 F HN 0.123 nan 8.300 nan 0.000 0.480 132 E N -0.384 119.926 120.200 0.182 0.000 2.208 132 E HA -0.210 3.746 4.350 -0.657 0.000 0.193 132 E C 2.045 178.614 176.600 -0.052 0.000 0.988 132 E CA 0.945 57.394 56.400 0.082 0.000 0.828 132 E CB -0.265 29.509 29.700 0.124 0.000 0.763 132 E HN 0.600 nan 8.360 nan 0.000 0.478 133 E N 1.369 121.522 120.200 -0.079 0.000 2.051 133 E HA -0.199 3.757 4.350 -0.657 0.000 0.192 133 E C 2.250 178.712 176.600 -0.229 0.000 0.991 133 E CA 1.420 57.750 56.400 -0.118 0.000 0.799 133 E CB -0.102 29.557 29.700 -0.069 0.000 0.748 133 E HN 0.412 nan 8.360 nan 0.000 0.449 134 I N -1.692 118.631 120.570 -0.412 0.000 2.617 134 I HA 0.011 3.787 4.170 -0.657 0.000 0.256 134 I C 0.859 176.761 176.117 -0.358 0.000 1.167 134 I CA 0.772 61.822 61.300 -0.417 0.000 1.469 134 I CB 0.164 37.829 38.000 -0.559 0.000 1.098 134 I HN -0.053 nan 8.210 nan 0.000 0.436 135 L N 2.760 123.725 121.223 -0.429 0.000 2.529 135 L HA 0.400 4.346 4.340 -0.657 0.000 0.246 135 L C -1.875 174.864 176.870 -0.219 0.000 1.394 135 L CA -1.143 53.470 54.840 -0.379 0.000 0.906 135 L CB 1.178 42.864 42.059 -0.622 0.000 1.170 135 L HN -0.070 nan 8.230 nan 0.000 0.501 136 P HA -0.045 nan 4.420 nan 0.000 0.242 136 P C 0.911 178.191 177.300 -0.033 0.000 1.197 136 P CA 0.758 63.820 63.100 -0.063 0.000 0.765 136 P CB 0.210 31.879 31.700 -0.053 0.000 0.936 137 R N -0.908 119.563 120.500 -0.049 0.000 2.334 137 R HA 0.201 4.147 4.340 -0.657 0.000 0.212 137 R C 0.332 176.618 176.300 -0.023 0.000 0.897 137 R CA -0.012 56.069 56.100 -0.032 0.000 1.056 137 R CB 0.517 30.787 30.300 -0.049 0.000 1.046 137 R HN 0.027 nan 8.270 nan 0.000 0.513 138 V N 1.869 121.780 119.914 -0.004 0.000 2.439 138 V HA 0.072 3.798 4.120 -0.657 0.000 0.282 138 V C -0.473 175.711 176.094 0.150 0.000 1.039 138 V CA -0.737 61.596 62.300 0.055 0.000 0.913 138 V CB 1.502 33.393 31.823 0.113 0.000 0.983 138 V HN 0.080 nan 8.190 nan 0.000 0.460 139 D N 2.821 123.306 120.400 0.141 0.000 2.396 139 D HA 0.217 4.463 4.640 -0.657 0.000 0.225 139 D C 1.382 177.793 176.300 0.186 0.000 1.121 139 D CA 0.122 54.212 54.000 0.150 0.000 0.853 139 D CB 1.352 42.220 40.800 0.114 0.000 1.043 139 D HN 0.564 nan 8.370 nan 0.000 0.500 140 S N 2.023 117.861 115.700 0.231 0.000 2.420 140 S HA -0.235 3.841 4.470 -0.657 0.000 0.237 140 S C 1.793 176.529 174.600 0.227 0.000 1.023 140 S CA 1.033 59.392 58.200 0.266 0.000 0.991 140 S CB -0.292 63.080 63.200 0.288 0.000 0.792 140 S HN 0.386 nan 8.310 nan 0.000 0.488 141 S N 1.941 117.734 115.700 0.154 0.000 2.353 141 S HA -0.104 3.972 4.470 -0.657 0.000 0.222 141 S C 1.979 176.646 174.600 0.111 0.000 1.035 141 S CA 1.403 59.677 58.200 0.123 0.000 1.025 141 S CB -0.436 62.811 63.200 0.079 0.000 0.902 141 S HN 0.540 nan 8.310 nan 0.000 0.440 142 E N 0.715 120.975 120.200 0.100 0.000 2.150 142 E HA -0.005 3.951 4.350 -0.657 0.000 0.193 142 E C 2.046 178.671 176.600 0.041 0.000 0.985 142 E CA 0.565 56.988 56.400 0.040 0.000 0.814 142 E CB -0.278 29.483 29.700 0.102 0.000 0.752 142 E HN 0.416 nan 8.360 nan 0.000 0.466 143 M N -0.438 119.221 119.600 0.098 0.000 2.065 143 M HA -0.176 3.910 4.480 -0.657 0.000 0.259 143 M C 2.089 178.350 176.300 -0.065 0.000 1.069 143 M CA 1.545 56.804 55.300 -0.068 0.000 1.110 143 M CB -1.076 31.316 32.600 -0.346 0.000 1.328 143 M HN 0.151 nan 8.290 nan 0.000 0.405 144 Y N 0.119 120.467 120.300 0.080 0.000 2.420 144 Y HA -0.106 4.050 4.550 -0.657 0.000 0.292 144 Y C 2.018 177.951 175.900 0.055 0.000 1.119 144 Y CA 0.909 59.078 58.100 0.114 0.000 1.229 144 Y CB -0.094 38.375 38.460 0.015 0.000 1.026 144 Y HN 0.289 nan 8.280 nan 0.000 0.554 145 D N -1.377 119.090 120.400 0.111 0.000 2.366 145 D HA 0.063 4.309 4.640 -0.657 0.000 0.205 145 D C 1.883 178.153 176.300 -0.051 0.000 1.022 145 D CA 0.455 54.477 54.000 0.037 0.000 0.868 145 D CB 0.389 41.206 40.800 0.029 0.000 0.953 145 D HN 0.275 nan 8.370 nan 0.000 0.514 146 R N -1.092 119.317 120.500 -0.151 0.000 2.342 146 R HA 0.034 3.980 4.340 -0.657 0.000 0.179 146 R C 1.450 177.567 176.300 -0.304 0.000 0.989 146 R CA 0.130 56.042 56.100 -0.314 0.000 1.125 146 R CB 0.082 30.011 30.300 -0.618 0.000 1.211 146 R HN -0.052 nan 8.270 nan 0.000 0.568 147 Y N -0.214 120.036 120.300 -0.084 0.000 2.314 147 Y HA 0.063 4.219 4.550 -0.657 0.000 0.294 147 Y C 1.809 177.597 175.900 -0.187 0.000 1.119 147 Y CA 0.701 58.710 58.100 -0.152 0.000 1.179 147 Y CB -0.294 38.028 38.460 -0.230 0.000 1.025 147 Y HN 0.014 nan 8.280 nan 0.000 0.541 148 F N 0.397 120.308 119.950 -0.065 0.000 2.102 148 F HA -0.114 4.019 4.527 -0.657 0.000 0.298 148 F C -0.436 175.337 175.800 -0.045 0.000 1.105 148 F CA 1.233 59.159 58.000 -0.125 0.000 1.239 148 F CB -1.994 36.821 39.000 -0.309 0.000 0.991 148 F HN 0.032 nan 8.300 nan 0.000 0.474 149 P HA -0.180 nan 4.420 nan 0.000 0.216 149 P C 1.624 178.973 177.300 0.081 0.000 1.150 149 P CA 1.666 64.821 63.100 0.092 0.000 0.837 149 P CB -0.161 31.568 31.700 0.049 0.000 0.786 150 R N -0.013 120.528 120.500 0.069 0.000 2.073 150 R HA -0.127 3.819 4.340 -0.657 0.000 0.234 150 R C 2.128 178.501 176.300 0.121 0.000 1.134 150 R CA 1.824 57.971 56.100 0.079 0.000 0.952 150 R CB -0.938 29.422 30.300 0.100 0.000 0.850 150 R HN 0.051 nan 8.270 nan 0.000 0.433 151 A N 1.354 124.270 122.820 0.160 0.000 1.908 151 A HA -0.210 3.716 4.320 -0.657 0.000 0.218 151 A C 1.833 179.542 177.584 0.208 0.000 1.181 151 A CA 1.790 53.963 52.037 0.227 0.000 0.627 151 A CB -0.648 18.457 19.000 0.175 0.000 0.818 151 A HN 0.419 nan 8.150 nan 0.000 0.445 152 N N 0.233 119.034 118.700 0.168 0.000 2.120 152 N HA -0.092 4.254 4.740 -0.657 0.000 0.188 152 N C 2.035 177.606 175.510 0.101 0.000 1.024 152 N CA 1.585 54.722 53.050 0.144 0.000 0.852 152 N CB -0.490 38.074 38.487 0.128 0.000 1.003 152 N HN 0.468 nan 8.380 nan 0.000 0.424 153 S N 1.118 116.861 115.700 0.071 0.000 2.351 153 S HA -0.072 4.004 4.470 -0.657 0.000 0.220 153 S C 1.986 176.575 174.600 -0.017 0.000 1.035 153 S CA 1.003 59.219 58.200 0.027 0.000 1.031 153 S CB -0.163 63.044 63.200 0.012 0.000 0.928 153 S HN 0.250 nan 8.310 nan 0.000 0.433 154 M N 0.986 120.551 119.600 -0.058 0.000 2.149 154 M HA -0.004 4.082 4.480 -0.657 0.000 0.261 154 M C 1.977 178.158 176.300 -0.197 0.000 1.064 154 M CA 1.276 56.422 55.300 -0.256 0.000 1.102 154 M CB -1.441 30.844 32.600 -0.526 0.000 1.369 154 M HN 0.282 nan 8.290 nan 0.000 0.408 155 L N -0.705 120.546 121.223 0.046 0.000 2.465 155 L HA -0.053 3.893 4.340 -0.657 0.000 0.224 155 L C 0.491 177.401 176.870 0.068 0.000 1.145 155 L CA 0.059 54.988 54.840 0.147 0.000 0.834 155 L CB -0.146 42.090 42.059 0.295 0.000 0.944 155 L HN 0.304 nan 8.230 nan 0.000 0.451 156 R N -0.352 120.164 120.500 0.027 0.000 3.423 156 R HA -0.118 3.828 4.340 -0.657 0.000 0.271 156 R C -0.492 175.825 176.300 0.030 0.000 1.093 156 R CA 0.145 56.251 56.100 0.010 0.000 0.730 156 R CB -2.759 27.526 30.300 -0.025 0.000 1.190 156 R HN 0.085 nan 8.270 nan 0.000 0.437 157 V N 1.580 121.527 119.914 0.055 0.000 2.694 157 V HA 0.017 3.743 4.120 -0.657 0.000 0.306 157 V C 1.247 177.315 176.094 -0.044 0.000 1.054 157 V CA 0.863 63.176 62.300 0.023 0.000 1.161 157 V CB 0.849 32.693 31.823 0.035 0.000 0.916 157 V HN 0.658 nan 8.190 nan 0.000 0.490 158 N N 2.151 120.790 118.700 -0.101 0.000 2.902 158 N HA 0.517 4.863 4.740 -0.657 0.000 0.268 158 N C -1.385 174.004 175.510 -0.203 0.000 1.450 158 N CA -1.061 51.939 53.050 -0.084 0.000 0.819 158 N CB 1.829 40.379 38.487 0.105 0.000 1.540 158 N HN 0.585 nan 8.380 nan 0.000 0.545 159 H N -0.032 119.188 119.070 0.250 0.000 2.600 159 H HA 0.372 4.533 4.556 -0.657 0.000 0.357 159 H C -0.640 174.588 175.328 -0.166 0.000 1.106 159 H CA -0.637 55.450 56.048 0.064 0.000 1.193 159 H CB 1.976 31.717 29.762 -0.034 0.000 1.594 159 H HN 0.531 nan 8.280 nan 0.000 0.526 160 I N 1.792 121.977 120.570 -0.641 0.000 2.754 160 I HA -0.106 3.670 4.170 -0.657 0.000 0.285 160 I C 0.303 176.180 176.117 -0.401 0.000 1.166 160 I CA 0.100 60.856 61.300 -0.906 0.000 1.417 160 I CB 0.403 37.657 38.000 -1.244 0.000 1.382 160 I HN 0.599 nan 8.210 nan 0.000 0.588 161 D N 3.955 124.266 120.400 -0.149 0.000 2.371 161 D HA 0.005 4.251 4.640 -0.657 0.000 0.256 161 D C 1.283 177.563 176.300 -0.033 0.000 1.193 161 D CA 0.235 54.207 54.000 -0.047 0.000 0.881 161 D CB 1.123 41.967 40.800 0.074 0.000 1.143 161 D HN 0.641 nan 8.370 nan 0.000 0.473 162 T N 1.357 115.817 114.554 -0.157 0.000 2.821 162 T HA -0.196 3.761 4.350 -0.657 0.000 0.267 162 T C 1.753 176.527 174.700 0.122 0.000 1.046 162 T CA 0.965 62.994 62.100 -0.120 0.000 1.139 162 T CB -0.154 68.607 68.868 -0.178 0.000 0.871 162 T HN 0.445 nan 8.240 nan 0.000 0.454 163 K N -0.404 120.064 120.400 0.113 0.000 2.057 163 K HA -0.130 3.796 4.320 -0.657 0.000 0.207 163 K C 2.146 178.855 176.600 0.182 0.000 1.049 163 K CA 1.310 57.676 56.287 0.133 0.000 0.931 163 K CB -0.437 32.130 32.500 0.111 0.000 0.714 163 K HN 0.533 nan 8.250 nan 0.000 0.440 164 W N 0.928 122.269 121.300 0.068 0.000 2.355 164 W HA -0.231 4.037 4.660 -0.653 0.000 0.309 164 W C 1.776 178.377 176.519 0.137 0.000 1.206 164 W CA 1.767 59.170 57.345 0.098 0.000 1.284 164 W CB -0.622 28.900 29.460 0.102 0.000 1.145 164 W HN 0.159 nan 8.180 nan 0.000 0.502 165 F N 1.809 121.770 119.950 0.018 0.000 2.091 165 F HA -0.286 3.848 4.527 -0.655 0.000 0.299 165 F C 2.257 177.976 175.800 -0.136 0.000 1.103 165 F CA 2.508 60.420 58.000 -0.147 0.000 1.228 165 F CB -0.496 38.463 39.000 -0.069 0.000 0.984 165 F HN -0.195 nan 8.300 nan 0.000 0.477 166 E N 0.131 120.294 120.200 -0.061 0.000 2.150 166 E HA -0.168 3.788 4.350 -0.657 0.000 0.193 166 E C 1.556 178.018 176.600 -0.230 0.000 0.985 166 E CA 1.392 57.709 56.400 -0.138 0.000 0.814 166 E CB -0.415 29.318 29.700 0.054 0.000 0.752 166 E HN 0.568 nan 8.360 nan 0.000 0.466 167 D N -0.346 119.925 120.400 -0.216 0.000 2.379 167 D HA -0.004 4.242 4.640 -0.657 0.000 0.208 167 D C 0.550 176.690 176.300 -0.266 0.000 1.065 167 D CA 0.252 54.142 54.000 -0.183 0.000 0.848 167 D CB 0.389 41.142 40.800 -0.078 0.000 0.949 167 D HN -0.038 nan 8.370 nan 0.000 0.509 168 T N 0.537 114.817 114.554 -0.456 0.000 2.889 168 T HA 0.093 4.049 4.350 -0.657 0.000 0.291 168 T C 1.409 175.930 174.700 -0.298 0.000 0.995 168 T CA -0.470 61.378 62.100 -0.421 0.000 1.092 168 T CB 1.537 69.889 68.868 -0.860 0.000 0.954 168 T HN 0.103 nan 8.240 nan 0.000 0.506 169 E N 2.780 122.829 120.200 -0.253 0.000 2.209 169 E HA -0.163 3.793 4.350 -0.657 0.000 0.196 169 E C 1.047 177.445 176.600 -0.336 0.000 0.993 169 E CA 1.198 57.404 56.400 -0.324 0.000 0.819 169 E CB -0.290 29.159 29.700 -0.418 0.000 0.745 169 E HN 0.845 nan 8.360 nan 0.000 0.477 170 W N -0.392 120.795 121.300 -0.189 0.000 2.699 170 W HA 0.035 4.308 4.660 -0.645 0.000 0.249 170 W C 0.699 176.999 176.519 -0.365 0.000 1.280 170 W CA 0.278 57.494 57.345 -0.214 0.000 1.345 170 W CB 0.033 29.380 29.460 -0.187 0.000 1.128 170 W HN 0.118 nan 8.180 nan 0.000 0.642 171 Y N -0.618 119.671 120.300 -0.019 0.000 2.641 171 Y HA 0.170 4.331 4.550 -0.648 0.000 0.248 171 Y C 1.979 177.613 175.900 -0.444 0.000 1.170 171 Y CA -0.410 57.536 58.100 -0.258 0.000 1.201 171 Y CB -0.139 38.033 38.460 -0.481 0.000 1.232 171 Y HN -0.206 nan 8.280 nan 0.000 0.537 172 K N 1.171 121.469 120.400 -0.170 0.000 2.074 172 K HA -0.252 3.674 4.320 -0.657 0.000 0.209 172 K C 1.751 178.275 176.600 -0.126 0.000 1.048 172 K CA 2.494 58.682 56.287 -0.165 0.000 0.926 172 K CB -0.391 32.029 32.500 -0.134 0.000 0.713 172 K HN 0.491 nan 8.250 nan 0.000 0.444 173 F N -0.478 119.417 119.950 -0.091 0.000 2.161 173 F HA -0.070 4.067 4.527 -0.651 0.000 0.300 173 F C 1.964 177.771 175.800 0.011 0.000 1.089 173 F CA 0.845 58.801 58.000 -0.073 0.000 1.282 173 F CB -0.817 38.123 39.000 -0.100 0.000 1.010 173 F HN -0.020 nan 8.300 nan 0.000 0.485 174 A N 1.218 123.474 122.820 -0.940 0.000 1.897 174 A HA -0.049 3.877 4.320 -0.657 0.000 0.215 174 A C 2.366 179.866 177.584 -0.141 0.000 1.181 174 A CA 1.184 52.907 52.037 -0.524 0.000 0.620 174 A CB -0.693 18.070 19.000 -0.396 0.000 0.821 174 A HN 0.458 nan 8.150 nan 0.000 0.443 175 R N -0.551 119.852 120.500 -0.161 0.000 2.092 175 R HA -0.060 3.886 4.340 -0.657 0.000 0.231 175 R C 1.991 178.270 176.300 -0.036 0.000 1.119 175 R CA 1.325 57.379 56.100 -0.077 0.000 0.970 175 R CB -0.537 29.670 30.300 -0.155 0.000 0.864 175 R HN 0.391 nan 8.270 nan 0.000 0.440 176 V N 0.397 120.289 119.914 -0.037 0.000 2.295 176 V HA -0.237 3.489 4.120 -0.657 0.000 0.246 176 V C 2.179 178.300 176.094 0.045 0.000 1.049 176 V CA 1.948 64.254 62.300 0.010 0.000 1.024 176 V CB -0.352 31.477 31.823 0.010 0.000 0.648 176 V HN 0.275 nan 8.190 nan 0.000 0.447 177 S N -0.925 114.814 115.700 0.064 0.000 2.402 177 S HA -0.186 3.890 4.470 -0.657 0.000 0.229 177 S C 2.107 176.763 174.600 0.095 0.000 1.021 177 S CA 1.496 59.784 58.200 0.146 0.000 0.974 177 S CB -0.360 62.995 63.200 0.258 0.000 0.800 177 S HN 0.521 nan 8.310 nan 0.000 0.484 178 R N 1.405 121.928 120.500 0.038 0.000 2.091 178 R HA -0.117 3.829 4.340 -0.657 0.000 0.238 178 R C 2.319 178.623 176.300 0.007 0.000 1.136 178 R CA 1.527 57.626 56.100 -0.001 0.000 0.959 178 R CB -0.241 30.047 30.300 -0.021 0.000 0.856 178 R HN 0.316 nan 8.270 nan 0.000 0.437 179 E N 0.295 120.510 120.200 0.024 0.000 2.072 179 E HA -0.206 3.750 4.350 -0.657 0.000 0.191 179 E C 1.785 178.410 176.600 0.042 0.000 0.985 179 E CA 1.287 57.706 56.400 0.033 0.000 0.801 179 E CB 0.070 29.798 29.700 0.046 0.000 0.750 179 E HN 0.425 nan 8.360 nan 0.000 0.452 180 Q N 0.005 119.837 119.800 0.054 0.000 2.079 180 Q HA -0.075 3.871 4.340 -0.657 0.000 0.200 180 Q C 2.153 178.169 176.000 0.027 0.000 0.974 180 Q CA 1.343 57.180 55.803 0.056 0.000 0.840 180 Q CB -0.399 28.381 28.738 0.070 0.000 0.898 180 Q HN 0.330 nan 8.270 nan 0.000 0.430 181 A N 0.991 123.820 122.820 0.015 0.000 1.933 181 A HA -0.079 3.847 4.320 -0.657 0.000 0.218 181 A C 2.358 179.917 177.584 -0.041 0.000 1.175 181 A CA 1.693 53.709 52.037 -0.035 0.000 0.628 181 A CB -1.073 17.894 19.000 -0.056 0.000 0.814 181 A HN 0.457 nan 8.150 nan 0.000 0.444 182 G N -0.308 108.478 108.800 -0.023 0.000 2.450 182 G HA2 -0.239 3.327 3.960 -0.657 0.000 0.220 182 G HA3 -0.239 3.327 3.960 -0.657 0.000 0.220 182 G C 1.585 176.478 174.900 -0.012 0.000 1.130 182 G CA 1.018 46.105 45.100 -0.022 0.000 0.760 182 G HN 0.550 nan 8.290 nan 0.000 0.557 183 K N 0.476 120.878 120.400 0.004 0.000 2.362 183 K HA 0.105 4.032 4.320 -0.657 0.000 0.200 183 K C 2.362 178.961 176.600 -0.002 0.000 1.046 183 K CA 0.763 57.057 56.287 0.013 0.000 0.952 183 K CB 0.036 32.559 32.500 0.038 0.000 0.753 183 K HN 0.309 nan 8.250 nan 0.000 0.466 184 A N 0.322 123.130 122.820 -0.020 0.000 2.307 184 A HA 0.263 4.189 4.320 -0.657 0.000 0.218 184 A C 1.188 178.743 177.584 -0.048 0.000 1.228 184 A CA 0.640 52.654 52.037 -0.037 0.000 0.857 184 A CB -0.031 18.933 19.000 -0.060 0.000 0.897 184 A HN 0.349 nan 8.150 nan 0.000 0.495 185 G N -1.043 107.732 108.800 -0.042 0.000 2.136 185 G HA2 -0.195 3.372 3.960 -0.657 0.000 0.242 185 G HA3 -0.195 3.372 3.960 -0.657 0.000 0.242 185 G C -0.088 174.776 174.900 -0.061 0.000 0.989 185 G CA 0.316 45.389 45.100 -0.045 0.000 0.682 185 G HN 0.459 nan 8.290 nan 0.000 0.522 186 L N 0.674 121.851 121.223 -0.077 0.000 2.307 186 L HA 0.718 4.664 4.340 -0.657 0.000 0.284 186 L C 1.204 178.016 176.870 -0.097 0.000 1.023 186 L CA -0.454 54.325 54.840 -0.101 0.000 0.810 186 L CB 1.652 43.625 42.059 -0.143 0.000 1.231 186 L HN 0.193 nan 8.230 nan 0.000 0.423 187 G N 1.067 109.806 108.800 -0.101 0.000 2.532 187 G HA2 0.669 4.235 3.960 -0.657 0.000 0.291 187 G HA3 0.669 4.235 3.960 -0.657 0.000 0.291 187 G C -0.394 174.417 174.900 -0.148 0.000 1.349 187 G CA -0.140 44.896 45.100 -0.106 0.000 1.038 187 G HN 0.556 nan 8.290 nan 0.000 0.518 188 T N -3.926 110.524 114.554 -0.173 0.000 2.901 188 T HA 0.654 4.610 4.350 -0.657 0.000 0.293 188 T C -1.163 173.382 174.700 -0.259 0.000 1.084 188 T CA -0.857 61.098 62.100 -0.241 0.000 1.008 188 T CB 1.854 70.561 68.868 -0.269 0.000 1.170 188 T HN 1.030 nan 8.240 nan 0.000 0.509 189 V N 1.288 121.030 119.914 -0.286 0.000 2.760 189 V HA 0.633 4.359 4.120 -0.657 0.000 0.309 189 V C -1.280 174.671 176.094 -0.238 0.000 1.077 189 V CA -1.287 60.895 62.300 -0.196 0.000 0.910 189 V CB 1.446 33.251 31.823 -0.029 0.000 1.008 189 V HN 0.911 nan 8.190 nan 0.000 0.424 190 F N 4.575 124.461 119.950 -0.107 0.000 2.506 190 F HA 0.388 4.521 4.527 -0.658 0.000 0.351 190 F C 0.451 176.262 175.800 0.019 0.000 1.136 190 F CA 0.175 58.091 58.000 -0.139 0.000 1.298 190 F CB 1.129 40.010 39.000 -0.199 0.000 1.145 190 F HN 0.226 nan 8.300 nan 0.000 0.593 191 V N 4.592 124.660 119.914 0.257 0.000 2.357 191 V HA 0.288 4.015 4.120 -0.657 0.000 0.284 191 V C -2.142 174.105 176.094 0.255 0.000 1.018 191 V CA -2.075 60.388 62.300 0.273 0.000 0.841 191 V CB 1.236 33.256 31.823 0.328 0.000 0.991 191 V HN 0.515 nan 8.190 nan 0.000 0.437 192 P HA 0.199 nan 4.420 nan 0.000 0.270 192 P C -0.507 176.888 177.300 0.160 0.000 1.223 192 P CA -0.076 63.085 63.100 0.102 0.000 0.785 192 P CB 0.604 32.285 31.700 -0.032 0.000 0.923 193 N N -0.021 118.793 118.700 0.189 0.000 2.494 193 N HA 0.177 4.523 4.740 -0.657 0.000 0.270 193 N C 0.264 175.827 175.510 0.088 0.000 1.285 193 N CA -0.472 52.679 53.050 0.168 0.000 0.812 193 N CB 2.143 40.717 38.487 0.144 0.000 1.557 193 N HN 0.101 nan 8.380 nan 0.000 0.487 194 V N -0.128 119.869 119.914 0.138 0.000 3.608 194 V HA 0.259 3.986 4.120 -0.657 0.000 0.269 194 V C 0.605 176.680 176.094 -0.031 0.000 1.245 194 V CA 0.344 62.688 62.300 0.074 0.000 1.138 194 V CB -1.100 30.797 31.823 0.124 0.000 0.841 194 V HN 0.558 nan 8.190 nan 0.000 0.451 195 Y N 2.498 122.679 120.300 -0.199 0.000 2.442 195 Y HA 0.275 4.434 4.550 -0.651 0.000 0.330 195 Y C 0.637 176.290 175.900 -0.412 0.000 1.129 195 Y CA -0.559 57.367 58.100 -0.291 0.000 1.365 195 Y CB 0.415 38.685 38.460 -0.316 0.000 1.233 195 Y HN 0.275 nan 8.280 nan 0.000 0.529 196 D N 5.560 125.762 120.400 -0.329 0.000 2.346 196 D HA -0.058 4.189 4.640 -0.657 0.000 0.260 196 D C 0.402 176.750 176.300 0.079 0.000 1.252 196 D CA 0.286 54.215 54.000 -0.117 0.000 0.895 196 D CB 0.270 40.999 40.800 -0.119 0.000 1.097 196 D HN 0.608 nan 8.370 nan 0.000 0.489 197 F N 2.264 122.321 119.950 0.178 0.000 2.293 197 F HA 0.042 4.173 4.527 -0.660 0.000 0.300 197 F C 2.515 178.293 175.800 -0.037 0.000 1.086 197 F CA 0.779 58.855 58.000 0.127 0.000 1.375 197 F CB -0.308 38.751 39.000 0.099 0.000 1.045 197 F HN 0.511 nan 8.300 nan 0.000 0.516 198 G N -1.280 107.607 108.800 0.144 0.000 2.418 198 G HA2 -0.333 3.233 3.960 -0.657 0.000 0.217 198 G HA3 -0.333 3.233 3.960 -0.657 0.000 0.217 198 G C 1.624 176.509 174.900 -0.026 0.000 1.158 198 G CA 0.675 45.780 45.100 0.009 0.000 0.771 198 G HN 0.394 nan 8.290 nan 0.000 0.545 199 Y N 0.537 120.809 120.300 -0.047 0.000 2.128 199 Y HA -0.133 4.022 4.550 -0.658 0.000 0.284 199 Y C 2.836 178.721 175.900 -0.026 0.000 1.154 199 Y CA 2.230 60.301 58.100 -0.049 0.000 1.149 199 Y CB -0.118 38.294 38.460 -0.079 0.000 0.976 199 Y HN 0.194 nan 8.280 nan 0.000 0.505 200 M N -0.046 119.672 119.600 0.197 0.000 2.117 200 M HA -0.301 3.785 4.480 -0.657 0.000 0.262 200 M C 2.361 178.503 176.300 -0.263 0.000 1.065 200 M CA 2.248 57.608 55.300 0.099 0.000 1.114 200 M CB -0.259 32.492 32.600 0.252 0.000 1.361 200 M HN 0.472 nan 8.290 nan 0.000 0.408 201 Q N -0.184 119.269 119.800 -0.578 0.000 2.297 201 Q HA -0.152 3.794 4.340 -0.657 0.000 0.204 201 Q C 1.793 177.569 176.000 -0.374 0.000 0.962 201 Q CA 1.081 56.333 55.803 -0.918 0.000 0.879 201 Q CB 0.099 28.013 28.738 -1.373 0.000 0.947 201 Q HN 0.527 nan 8.270 nan 0.000 0.462 202 R N 0.168 120.474 120.500 -0.323 0.000 2.073 202 R HA -0.093 3.853 4.340 -0.657 0.000 0.229 202 R C 2.093 178.229 176.300 -0.273 0.000 1.120 202 R CA 1.502 57.431 56.100 -0.286 0.000 0.967 202 R CB -0.067 30.010 30.300 -0.372 0.000 0.862 202 R HN 0.384 nan 8.270 nan 0.000 0.436 203 E N 0.626 120.625 120.200 -0.335 0.000 2.086 203 E HA -0.248 3.708 4.350 -0.657 0.000 0.200 203 E C 1.992 178.504 176.600 -0.147 0.000 1.012 203 E CA 1.535 57.783 56.400 -0.253 0.000 0.812 203 E CB -0.174 29.404 29.700 -0.203 0.000 0.743 203 E HN 0.368 nan 8.360 nan 0.000 0.453 204 A N 1.091 123.868 122.820 -0.072 0.000 1.969 204 A HA -0.024 3.902 4.320 -0.657 0.000 0.218 204 A C 2.246 179.924 177.584 0.156 0.000 1.169 204 A CA 1.433 53.540 52.037 0.118 0.000 0.635 204 A CB -0.336 18.929 19.000 0.442 0.000 0.810 204 A HN 0.276 nan 8.150 nan 0.000 0.445 205 A N -1.564 121.298 122.820 0.070 0.000 2.238 205 A HA 0.407 4.333 4.320 -0.657 0.000 0.208 205 A C 1.734 179.324 177.584 0.010 0.000 1.177 205 A CA 1.118 53.185 52.037 0.050 0.000 0.804 205 A CB -1.049 17.960 19.000 0.015 0.000 0.823 205 A HN 1.858 nan 8.150 nan 0.000 0.482 206 G N -0.573 108.219 108.800 -0.014 0.000 2.160 206 G HA2 -0.285 3.281 3.960 -0.657 0.000 0.251 206 G HA3 -0.285 3.281 3.960 -0.657 0.000 0.251 206 G C 0.386 175.251 174.900 -0.058 0.000 1.008 206 G CA 0.732 45.816 45.100 -0.027 0.000 0.724 206 G HN 0.623 nan 8.290 nan 0.000 0.514 207 E N -1.318 118.822 120.200 -0.099 0.000 2.452 207 E HA 0.376 4.332 4.350 -0.657 0.000 0.197 207 E C 0.962 177.470 176.600 -0.153 0.000 1.022 207 E CA 0.809 57.142 56.400 -0.111 0.000 0.890 207 E CB 0.818 30.448 29.700 -0.117 0.000 0.918 207 E HN 0.993 nan 8.360 nan 0.000 0.496 208 V N -2.703 117.079 119.914 -0.221 0.000 3.147 208 V HA 0.489 4.215 4.120 -0.657 0.000 0.306 208 V C -3.009 172.950 176.094 -0.225 0.000 1.209 208 V CA -3.147 58.996 62.300 -0.262 0.000 1.023 208 V CB 1.538 33.051 31.823 -0.516 0.000 1.059 208 V HN -0.239 nan 8.190 nan 0.000 0.435 209 P HA 0.209 nan 4.420 nan 0.000 0.264 209 P C -0.609 176.633 177.300 -0.096 0.000 1.193 209 P CA 0.235 63.208 63.100 -0.212 0.000 0.763 209 P CB 0.202 31.604 31.700 -0.496 0.000 0.810 210 K N 1.526 121.925 120.400 -0.002 0.000 2.237 210 K HA 0.308 4.234 4.320 -0.657 0.000 0.270 210 K C 0.864 177.591 176.600 0.211 0.000 1.015 210 K CA -0.107 56.220 56.287 0.067 0.000 0.949 210 K CB 0.827 33.316 32.500 -0.018 0.000 0.976 210 K HN 0.359 nan 8.250 nan 0.000 0.472 211 S N 0.813 116.660 115.700 0.245 0.000 4.098 211 S HA 0.099 4.175 4.470 -0.657 0.000 0.193 211 S C 1.641 176.318 174.600 0.128 0.000 1.049 211 S CA 0.459 58.813 58.200 0.257 0.000 1.034 211 S CB -0.449 62.973 63.200 0.370 0.000 1.380 211 S HN 0.612 nan 8.310 nan 0.000 0.629 212 A N 1.774 124.664 122.820 0.116 0.000 1.986 212 A HA 0.109 4.035 4.320 -0.657 0.000 0.220 212 A C 1.662 179.136 177.584 -0.184 0.000 1.171 212 A CA 1.445 53.389 52.037 -0.155 0.000 0.640 212 A CB -0.840 17.829 19.000 -0.550 0.000 0.811 212 A HN 0.581 nan 8.150 nan 0.000 0.451 213 L N -1.602 119.462 121.223 -0.264 0.000 2.629 213 L HA 0.263 4.209 4.340 -0.657 0.000 0.230 213 L C 1.248 177.948 176.870 -0.285 0.000 1.151 213 L CA 0.438 54.902 54.840 -0.627 0.000 0.924 213 L CB -0.022 41.332 42.059 -1.175 0.000 1.137 213 L HN 0.381 nan 8.230 nan 0.000 0.457 214 A N -0.829 121.952 122.820 -0.064 0.000 2.610 214 A HA 0.343 4.269 4.320 -0.657 0.000 0.290 214 A C 0.799 178.417 177.584 0.057 0.000 1.001 214 A CA -0.170 51.894 52.037 0.044 0.000 1.004 214 A CB -0.015 19.026 19.000 0.068 0.000 1.220 214 A HN 0.243 nan 8.150 nan 0.000 0.507 215 T N 0.503 115.078 114.554 0.035 0.000 4.131 215 T HA -0.153 3.804 4.350 -0.657 0.000 0.347 215 T C -0.287 174.412 174.700 -0.001 0.000 0.755 215 T CA 1.723 63.831 62.100 0.014 0.000 1.936 215 T CB -1.828 67.061 68.868 0.033 0.000 1.861 215 T HN 0.781 nan 8.240 nan 0.000 0.863 216 E N -0.930 119.266 120.200 -0.007 0.000 2.199 216 E HA 0.686 4.642 4.350 -0.657 0.000 0.269 216 E C 0.416 176.973 176.600 -0.072 0.000 0.899 216 E CA -0.655 55.733 56.400 -0.020 0.000 0.772 216 E CB 2.714 32.438 29.700 0.041 0.000 1.155 216 E HN 0.105 nan 8.360 nan 0.000 0.408 217 V N 3.285 123.111 119.914 -0.146 0.000 4.033 217 V HA 0.038 3.764 4.120 -0.657 0.000 0.166 217 V C 0.646 176.587 176.094 -0.256 0.000 1.446 217 V CA 0.118 62.321 62.300 -0.162 0.000 1.045 217 V CB -0.115 31.640 31.823 -0.113 0.000 1.088 217 V HN 0.746 nan 8.190 nan 0.000 0.585 218 I N 0.377 120.731 120.570 -0.360 0.000 3.111 218 I HA -0.010 3.766 4.170 -0.657 0.000 0.272 218 I C 0.912 176.802 176.117 -0.379 0.000 1.268 218 I CA 1.245 62.298 61.300 -0.412 0.000 1.467 218 I CB 0.228 37.930 38.000 -0.498 0.000 1.087 218 I HN 0.600 nan 8.210 nan 0.000 0.467 219 Y N 0.773 120.963 120.300 -0.184 0.000 2.658 219 Y HA 0.563 4.720 4.550 -0.655 0.000 0.276 219 Y C 0.828 176.427 175.900 -0.501 0.000 1.167 219 Y CA -0.426 57.536 58.100 -0.229 0.000 1.230 219 Y CB -0.311 38.096 38.460 -0.089 0.000 1.144 219 Y HN 0.088 nan 8.280 nan 0.000 0.529 220 G N 0.760 109.204 108.800 -0.594 0.000 2.629 220 G HA2 -0.168 3.398 3.960 -0.657 0.000 0.686 220 G HA3 -0.168 3.398 3.960 -0.657 0.000 0.686 220 G C -1.202 173.296 174.900 -0.671 0.000 1.232 220 G CA -1.243 43.093 45.100 -1.273 0.000 0.803 220 G HN 0.279 nan 8.290 nan 0.000 0.638 221 N N 0.686 119.060 118.700 -0.543 0.000 2.407 221 N HA 0.407 4.753 4.740 -0.657 0.000 0.277 221 N C 1.063 176.622 175.510 0.081 0.000 0.995 221 N CA -1.009 51.983 53.050 -0.096 0.000 0.903 221 N CB 1.242 39.733 38.487 0.006 0.000 1.218 221 N HN 0.471 nan 8.380 nan 0.000 0.487 222 N N 1.067 119.834 118.700 0.112 0.000 2.381 222 N HA -0.067 4.279 4.740 -0.657 0.000 0.182 222 N C -0.434 174.694 175.510 -0.637 0.000 1.025 222 N CA 1.161 54.127 53.050 -0.141 0.000 0.888 222 N CB 0.056 38.433 38.487 -0.183 0.000 0.965 222 N HN 0.604 nan 8.380 nan 0.000 0.438 223 H N -3.018 116.045 119.070 -0.012 0.000 3.008 223 H HA 0.346 4.508 4.556 -0.658 0.000 0.354 223 H C 1.045 176.080 175.328 -0.487 0.000 1.252 223 H CA 0.048 55.951 56.048 -0.243 0.000 1.117 223 H CB 1.634 31.286 29.762 -0.184 0.000 1.857 223 H HN 0.073 nan 8.280 nan 0.000 0.547 224 G N 1.016 109.315 108.800 -0.835 0.000 2.507 224 G HA2 -0.317 3.249 3.960 -0.657 0.000 0.240 224 G HA3 -0.317 3.249 3.960 -0.657 0.000 0.240 224 G C 0.545 174.678 174.900 -1.278 0.000 1.119 224 G CA 0.751 45.060 45.100 -1.318 0.000 0.664 224 G HN 0.565 nan 8.290 nan 0.000 0.516 225 K N 1.432 121.332 120.400 -0.832 0.000 2.312 225 K HA 0.375 4.301 4.320 -0.657 0.000 0.287 225 K C 0.207 176.647 176.600 -0.267 0.000 1.062 225 K CA -0.305 55.736 56.287 -0.409 0.000 0.934 225 K CB 0.362 32.822 32.500 -0.066 0.000 1.027 225 K HN 0.108 nan 8.250 nan 0.000 0.478 226 Q N 2.853 122.529 119.800 -0.207 0.000 3.026 226 Q HA 0.032 3.978 4.340 -0.657 0.000 0.258 226 Q C -0.217 175.720 176.000 -0.105 0.000 1.388 226 Q CA 0.003 55.722 55.803 -0.141 0.000 1.000 226 Q CB 0.112 28.785 28.738 -0.108 0.000 1.634 226 Q HN 0.704 nan 8.270 nan 0.000 0.571 227 S N -0.850 114.782 115.700 -0.114 0.000 2.606 227 S HA 0.187 4.264 4.470 -0.657 0.000 0.257 227 S C 1.425 175.948 174.600 -0.129 0.000 1.327 227 S CA -0.592 57.529 58.200 -0.132 0.000 0.984 227 S CB 0.812 63.942 63.200 -0.117 0.000 0.941 227 S HN 0.554 nan 8.310 nan 0.000 0.576 228 L N 0.814 121.919 121.223 -0.197 0.000 2.275 228 L HA -0.091 3.855 4.340 -0.657 0.000 0.215 228 L C 2.215 179.036 176.870 -0.082 0.000 1.119 228 L CA 1.247 55.987 54.840 -0.165 0.000 0.790 228 L CB -0.831 41.027 42.059 -0.335 0.000 0.919 228 L HN 0.807 nan 8.230 nan 0.000 0.443 229 D N 0.204 120.565 120.400 -0.065 0.000 2.221 229 D HA -0.236 4.010 4.640 -0.657 0.000 0.204 229 D C 1.756 178.038 176.300 -0.029 0.000 0.982 229 D CA 1.337 55.322 54.000 -0.026 0.000 0.857 229 D CB -0.190 40.619 40.800 0.015 0.000 0.934 229 D HN 0.241 nan 8.370 nan 0.000 0.475 230 K N -0.474 119.900 120.400 -0.044 0.000 2.314 230 K HA 0.062 3.988 4.320 -0.657 0.000 0.198 230 K C 1.784 178.348 176.600 -0.060 0.000 1.045 230 K CA 1.159 57.415 56.287 -0.053 0.000 0.988 230 K CB 0.401 32.860 32.500 -0.069 0.000 0.783 230 K HN 0.421 nan 8.250 nan 0.000 0.484 231 T N -2.602 111.919 114.554 -0.054 0.000 2.818 231 T HA 0.038 3.994 4.350 -0.657 0.000 0.177 231 T C 1.567 176.223 174.700 -0.075 0.000 0.760 231 T CA -0.191 61.860 62.100 -0.081 0.000 1.490 231 T CB -0.840 67.989 68.868 -0.066 0.000 2.555 231 T HN -0.039 nan 8.240 nan 0.000 0.410 232 Y N 1.801 122.055 120.300 -0.078 0.000 2.165 232 Y HA 0.068 4.224 4.550 -0.657 0.000 0.286 232 Y C 2.560 178.411 175.900 -0.082 0.000 1.155 232 Y CA 1.424 59.478 58.100 -0.075 0.000 1.164 232 Y CB -0.593 37.815 38.460 -0.086 0.000 0.978 232 Y HN 0.202 nan 8.280 nan 0.000 0.513 233 L N -1.288 119.976 121.223 0.069 0.000 2.109 233 L HA -0.178 3.768 4.340 -0.657 0.000 0.207 233 L C 2.684 179.548 176.870 -0.010 0.000 1.086 233 L CA 0.866 55.711 54.840 0.008 0.000 0.760 233 L CB -0.845 41.201 42.059 -0.022 0.000 0.910 233 L HN 0.192 nan 8.230 nan 0.000 0.437 234 A N 0.344 123.153 122.820 -0.020 0.000 1.908 234 A HA -0.213 3.713 4.320 -0.657 0.000 0.218 234 A C 2.545 180.109 177.584 -0.035 0.000 1.181 234 A CA 1.922 53.940 52.037 -0.031 0.000 0.627 234 A CB -0.738 18.239 19.000 -0.039 0.000 0.818 234 A HN 0.396 nan 8.150 nan 0.000 0.445 235 A N -0.269 122.526 122.820 -0.042 0.000 1.902 235 A HA 0.181 4.107 4.320 -0.657 0.000 0.217 235 A C 2.514 180.080 177.584 -0.030 0.000 1.181 235 A CA 2.067 54.074 52.037 -0.049 0.000 0.623 235 A CB -1.021 17.928 19.000 -0.083 0.000 0.818 235 A HN 1.072 nan 8.150 nan 0.000 0.443 236 A N -0.131 122.681 122.820 -0.014 0.000 1.877 236 A HA -0.072 3.854 4.320 -0.657 0.000 0.216 236 A C 2.159 179.726 177.584 -0.029 0.000 1.186 236 A CA 1.546 53.571 52.037 -0.020 0.000 0.620 236 A CB -0.661 18.328 19.000 -0.018 0.000 0.822 236 A HN 0.476 nan 8.150 nan 0.000 0.443 237 L N -0.652 120.554 121.223 -0.028 0.000 2.083 237 L HA -0.135 3.811 4.340 -0.657 0.000 0.209 237 L C 2.709 179.563 176.870 -0.027 0.000 1.083 237 L CA 1.019 55.842 54.840 -0.028 0.000 0.752 237 L CB -0.706 41.337 42.059 -0.027 0.000 0.899 237 L HN 0.497 nan 8.230 nan 0.000 0.433 238 G N -0.656 108.127 108.800 -0.028 0.000 2.509 238 G HA2 -0.229 3.337 3.960 -0.657 0.000 0.218 238 G HA3 -0.229 3.337 3.960 -0.657 0.000 0.218 238 G C 1.641 176.526 174.900 -0.026 0.000 1.124 238 G CA 1.067 46.150 45.100 -0.027 0.000 0.776 238 G HN 0.473 nan 8.290 nan 0.000 0.547 239 T N -2.575 111.963 114.554 -0.027 0.000 3.035 239 T HA 0.266 4.222 4.350 -0.657 0.000 0.268 239 T C 2.134 176.822 174.700 -0.021 0.000 1.109 239 T CA 1.069 63.154 62.100 -0.025 0.000 1.119 239 T CB -0.223 68.628 68.868 -0.028 0.000 0.900 239 T HN 1.275 nan 8.240 nan 0.000 0.503 240 G N 1.372 110.159 108.800 -0.021 0.000 2.184 240 G HA2 -0.248 3.318 3.960 -0.657 0.000 0.264 240 G HA3 -0.248 3.318 3.960 -0.657 0.000 0.264 240 G C 0.809 175.700 174.900 -0.016 0.000 0.975 240 G CA 0.426 45.516 45.100 -0.017 0.000 0.642 240 G HN 0.533 nan 8.290 nan 0.000 0.536 241 K N -0.346 120.042 120.400 -0.020 0.000 2.413 241 K HA 0.456 4.382 4.320 -0.657 0.000 0.204 241 K C 0.242 176.826 176.600 -0.027 0.000 1.041 241 K CA 0.232 56.508 56.287 -0.019 0.000 1.082 241 K CB 1.621 34.110 32.500 -0.018 0.000 0.871 241 K HN 0.340 nan 8.250 nan 0.000 0.535 242 V N 1.265 121.160 119.914 -0.032 0.000 2.588 242 V HA 0.363 4.089 4.120 -0.657 0.000 0.304 242 V C -0.295 175.775 176.094 -0.039 0.000 1.042 242 V CA -0.678 61.598 62.300 -0.041 0.000 0.877 242 V CB 2.106 33.900 31.823 -0.048 0.000 0.996 242 V HN -0.008 nan 8.190 nan 0.000 0.425 243 T N 5.649 120.177 114.554 -0.045 0.000 2.841 243 T HA 0.717 4.673 4.350 -0.657 0.000 0.283 243 T C -0.520 174.144 174.700 -0.060 0.000 1.000 243 T CA -0.261 61.809 62.100 -0.050 0.000 0.977 243 T CB 1.410 70.247 68.868 -0.053 0.000 0.979 243 T HN 0.413 nan 8.240 nan 0.000 0.446 244 I N 2.714 123.247 120.570 -0.062 0.000 2.436 244 I HA 0.408 4.184 4.170 -0.657 0.000 0.289 244 I C -0.448 175.615 176.117 -0.090 0.000 1.010 244 I CA -0.870 60.389 61.300 -0.067 0.000 1.098 244 I CB 2.004 39.976 38.000 -0.047 0.000 1.266 244 I HN 0.362 nan 8.210 nan 0.000 0.434 245 Q N 4.884 124.604 119.800 -0.133 0.000 2.348 245 Q HA 0.403 4.349 4.340 -0.657 0.000 0.265 245 Q C -0.362 175.562 176.000 -0.127 0.000 0.998 245 Q CA -0.504 55.160 55.803 -0.231 0.000 0.831 245 Q CB 1.482 29.927 28.738 -0.489 0.000 1.251 245 Q HN 0.771 nan 8.270 nan 0.000 0.456 246 T N -0.020 114.532 114.554 -0.003 0.000 2.912 246 T HA 0.502 4.458 4.350 -0.657 0.000 0.280 246 T C 0.522 175.367 174.700 0.241 0.000 0.989 246 T CA -0.684 61.469 62.100 0.089 0.000 0.995 246 T CB 0.459 69.341 68.868 0.025 0.000 1.077 246 T HN 0.760 nan 8.240 nan 0.000 0.531 247 L N -0.085 121.244 121.223 0.177 0.000 3.839 247 L HA -0.168 3.778 4.340 -0.657 0.000 0.416 247 L C -0.759 176.180 176.870 0.114 0.000 1.195 247 L CA 0.477 55.408 54.840 0.152 0.000 0.946 247 L CB -2.195 39.906 42.059 0.069 0.000 1.891 247 L HN 0.793 nan 8.230 nan 0.000 0.963 248 H N -0.214 118.883 119.070 0.044 0.000 2.708 248 H HA 0.482 4.644 4.556 -0.657 0.000 0.320 248 H C -0.030 175.319 175.328 0.035 0.000 0.991 248 H CA -0.222 55.844 56.048 0.030 0.000 1.243 248 H CB 1.362 31.132 29.762 0.014 0.000 1.446 248 H HN 0.181 nan 8.280 nan 0.000 0.502 249 Q N 3.485 123.343 119.800 0.095 0.000 2.325 249 Q HA 0.391 4.337 4.340 -0.657 0.000 0.262 249 Q C -0.865 175.166 176.000 0.051 0.000 0.968 249 Q CA -0.953 54.893 55.803 0.072 0.000 0.877 249 Q CB 1.159 29.938 28.738 0.069 0.000 1.253 249 Q HN 0.434 nan 8.270 nan 0.000 0.448 250 V N 5.480 125.419 119.914 0.042 0.000 2.521 250 V HA 0.010 3.736 4.120 -0.657 0.000 0.286 250 V C 0.759 176.859 176.094 0.011 0.000 1.034 250 V CA 0.217 62.532 62.300 0.025 0.000 1.045 250 V CB 0.914 32.744 31.823 0.012 0.000 0.974 250 V HN 0.810 nan 8.190 nan 0.000 0.480 251 K N 2.394 122.799 120.400 0.008 0.000 2.262 251 K HA 0.173 4.099 4.320 -0.657 0.000 0.200 251 K C 0.806 177.402 176.600 -0.007 0.000 1.058 251 K CA 0.804 57.094 56.287 0.006 0.000 0.974 251 K CB 0.543 33.049 32.500 0.010 0.000 0.910 251 K HN 0.842 nan 8.250 nan 0.000 0.484 252 T N -1.357 113.189 114.554 -0.012 0.000 2.903 252 T HA 0.733 4.689 4.350 -0.657 0.000 0.299 252 T C -0.473 174.209 174.700 -0.029 0.000 1.093 252 T CA -0.817 61.267 62.100 -0.027 0.000 1.002 252 T CB 1.794 70.651 68.868 -0.019 0.000 1.127 252 T HN -0.065 nan 8.240 nan 0.000 0.488 253 I N 2.060 122.600 120.570 -0.049 0.000 2.533 253 I HA 0.655 4.431 4.170 -0.657 0.000 0.290 253 I C -0.171 175.927 176.117 -0.031 0.000 1.056 253 I CA -1.053 60.221 61.300 -0.044 0.000 1.057 253 I CB 2.154 40.090 38.000 -0.107 0.000 1.240 253 I HN 0.856 nan 8.210 nan 0.000 0.423 254 R N 3.804 124.319 120.500 0.025 0.000 2.774 254 R HA 0.586 4.532 4.340 -0.657 0.000 0.272 254 R C -1.318 175.027 176.300 0.074 0.000 1.000 254 R CA -1.013 55.101 56.100 0.023 0.000 0.906 254 R CB 1.724 32.026 30.300 0.003 0.000 1.227 254 R HN 0.501 nan 8.270 nan 0.000 0.468 255 Q N 1.569 121.378 119.800 0.015 0.000 2.288 255 Q HA 0.203 4.149 4.340 -0.657 0.000 0.254 255 Q C -0.404 175.523 176.000 -0.122 0.000 0.932 255 Q CA -0.138 55.575 55.803 -0.150 0.000 0.902 255 Q CB 1.429 30.138 28.738 -0.048 0.000 1.203 255 Q HN 0.731 nan 8.270 nan 0.000 0.415 256 T N 0.629 115.067 114.554 -0.193 0.000 2.881 256 T HA 0.296 4.252 4.350 -0.657 0.000 0.278 256 T C 0.684 175.321 174.700 -0.104 0.000 0.982 256 T CA -0.473 61.563 62.100 -0.107 0.000 0.989 256 T CB 0.869 69.688 68.868 -0.081 0.000 1.058 256 T HN 0.759 nan 8.240 nan 0.000 0.529 257 K N 0.290 120.648 120.400 -0.069 0.000 2.280 257 K HA -0.075 3.852 4.320 -0.657 0.000 0.202 257 K C 1.425 177.986 176.600 -0.065 0.000 1.047 257 K CA 1.551 57.805 56.287 -0.055 0.000 0.942 257 K CB -0.032 32.444 32.500 -0.041 0.000 0.739 257 K HN 0.765 nan 8.250 nan 0.000 0.457 258 D N -1.698 118.652 120.400 -0.083 0.000 2.395 258 D HA 0.043 4.289 4.640 -0.657 0.000 0.213 258 D C 0.846 177.079 176.300 -0.111 0.000 1.110 258 D CA 0.585 54.535 54.000 -0.084 0.000 0.835 258 D CB 0.777 41.530 40.800 -0.079 0.000 0.965 258 D HN 0.205 nan 8.370 nan 0.000 0.505 259 G N 0.136 108.840 108.800 -0.161 0.000 2.157 259 G HA2 -0.178 3.388 3.960 -0.657 0.000 0.239 259 G HA3 -0.178 3.388 3.960 -0.657 0.000 0.239 259 G C 0.632 175.333 174.900 -0.332 0.000 0.982 259 G CA -0.048 44.924 45.100 -0.214 0.000 0.650 259 G HN 0.735 nan 8.290 nan 0.000 0.527 260 G N -1.074 107.526 108.800 -0.333 0.000 2.510 260 G HA2 0.622 4.188 3.960 -0.657 0.000 0.280 260 G HA3 0.622 4.188 3.960 -0.657 0.000 0.280 260 G C -0.616 173.849 174.900 -0.725 0.000 1.386 260 G CA -0.830 44.034 45.100 -0.393 0.000 1.047 260 G HN 0.356 nan 8.290 nan 0.000 0.527 261 Y N -1.293 118.997 120.300 -0.017 0.000 2.499 261 Y HA 0.624 4.781 4.550 -0.656 0.000 0.347 261 Y C 0.384 176.275 175.900 -0.014 0.000 0.987 261 Y CA -0.673 57.404 58.100 -0.039 0.000 1.044 261 Y CB 2.458 40.873 38.460 -0.075 0.000 1.245 261 Y HN 0.687 nan 8.280 nan 0.000 0.461 262 A N 2.901 125.789 122.820 0.113 0.000 2.355 262 A HA 0.859 4.785 4.320 -0.657 0.000 0.317 262 A C -1.868 175.752 177.584 0.059 0.000 1.094 262 A CA -0.623 51.455 52.037 0.070 0.000 0.764 262 A CB 0.765 19.788 19.000 0.038 0.000 1.230 262 A HN 0.590 nan 8.150 nan 0.000 0.448 263 L N 1.601 122.851 121.223 0.046 0.000 2.346 263 L HA 0.604 4.550 4.340 -0.657 0.000 0.276 263 L C 0.736 177.623 176.870 0.027 0.000 1.006 263 L CA -0.188 54.669 54.840 0.029 0.000 0.817 263 L CB 2.006 44.081 42.059 0.028 0.000 1.272 263 L HN 0.769 nan 8.230 nan 0.000 0.421 264 T N -0.009 114.556 114.554 0.019 0.000 2.806 264 T HA 0.745 4.701 4.350 -0.657 0.000 0.290 264 T C -0.291 174.422 174.700 0.022 0.000 0.966 264 T CA -0.661 61.450 62.100 0.019 0.000 1.060 264 T CB 0.967 69.842 68.868 0.011 0.000 0.927 264 T HN 0.247 nan 8.240 nan 0.000 0.485 265 V N 3.198 123.130 119.914 0.030 0.000 2.525 265 V HA 0.405 4.131 4.120 -0.657 0.000 0.299 265 V C -0.178 175.918 176.094 0.004 0.000 1.034 265 V CA -0.922 61.404 62.300 0.043 0.000 0.863 265 V CB 1.690 33.575 31.823 0.104 0.000 0.999 265 V HN 0.957 nan 8.190 nan 0.000 0.423 266 E N 3.182 123.367 120.200 -0.026 0.000 2.174 266 E HA 0.367 4.323 4.350 -0.657 0.000 0.282 266 E C -0.608 175.881 176.600 -0.185 0.000 0.992 266 E CA -0.381 55.971 56.400 -0.079 0.000 0.803 266 E CB 2.036 31.704 29.700 -0.053 0.000 1.090 266 E HN 0.653 nan 8.360 nan 0.000 0.396 267 Q N 3.506 123.132 119.800 -0.289 0.000 2.278 267 Q HA 0.251 4.197 4.340 -0.657 0.000 0.257 267 Q C -1.021 174.848 176.000 -0.218 0.000 0.928 267 Q CA -0.350 55.178 55.803 -0.459 0.000 0.932 267 Q CB 0.826 29.214 28.738 -0.584 0.000 1.221 267 Q HN 0.336 nan 8.270 nan 0.000 0.434 268 K N 2.077 122.382 120.400 -0.158 0.000 2.350 268 K HA 0.287 4.213 4.320 -0.657 0.000 0.241 268 K C -0.955 175.606 176.600 -0.065 0.000 0.994 268 K CA -0.921 55.310 56.287 -0.095 0.000 0.839 268 K CB 1.215 33.664 32.500 -0.085 0.000 1.244 268 K HN 0.729 nan 8.250 nan 0.000 0.443 269 D N -1.131 119.240 120.400 -0.049 0.000 2.466 269 D HA 0.001 4.247 4.640 -0.657 0.000 0.262 269 D C 0.896 177.176 176.300 -0.034 0.000 1.177 269 D CA -0.423 53.556 54.000 -0.035 0.000 1.035 269 D CB 0.262 41.048 40.800 -0.022 0.000 1.105 269 D HN 0.566 nan 8.370 nan 0.000 0.551 270 T N -3.713 110.801 114.554 -0.067 0.000 3.072 270 T HA -0.073 3.883 4.350 -0.657 0.000 0.266 270 T C 0.586 175.224 174.700 -0.104 0.000 1.127 270 T CA 0.579 62.562 62.100 -0.196 0.000 1.107 270 T CB -0.279 68.417 68.868 -0.288 0.000 0.910 270 T HN 0.324 nan 8.240 nan 0.000 0.513 271 D N 1.247 121.680 120.400 0.054 0.000 2.340 271 D HA 0.219 4.465 4.640 -0.657 0.000 0.220 271 D C 1.721 178.153 176.300 0.221 0.000 1.039 271 D CA 0.764 54.852 54.000 0.147 0.000 0.866 271 D CB -0.048 40.808 40.800 0.093 0.000 0.913 271 D HN 0.621 nan 8.370 nan 0.000 0.523 272 G N 1.674 110.550 108.800 0.127 0.000 2.157 272 G HA2 -0.310 3.256 3.960 -0.657 0.000 0.248 272 G HA3 -0.310 3.256 3.960 -0.657 0.000 0.248 272 G C 0.413 175.225 174.900 -0.147 0.000 0.979 272 G CA 0.074 45.068 45.100 -0.176 0.000 0.650 272 G HN 0.357 nan 8.290 nan 0.000 0.529 273 K N 0.263 120.624 120.400 -0.065 0.000 2.350 273 K HA 0.486 4.412 4.320 -0.657 0.000 0.279 273 K C 0.496 177.052 176.600 -0.073 0.000 1.027 273 K CA -0.854 55.396 56.287 -0.062 0.000 0.969 273 K CB 0.366 32.846 32.500 -0.033 0.000 0.954 273 K HN 0.170 nan 8.250 nan 0.000 0.474 274 L N 6.393 127.572 121.223 -0.074 0.000 2.433 274 L HA 0.057 4.004 4.340 -0.657 0.000 0.275 274 L C 0.330 177.164 176.870 -0.060 0.000 1.128 274 L CA 0.633 55.429 54.840 -0.073 0.000 0.875 274 L CB 0.366 42.386 42.059 -0.065 0.000 1.171 274 L HN 0.788 nan 8.230 nan 0.000 0.463 275 L N 4.926 126.107 121.223 -0.069 0.000 2.357 275 L HA 0.507 4.454 4.340 -0.657 0.000 0.211 275 L C 0.693 177.532 176.870 -0.053 0.000 1.075 275 L CA 0.467 55.273 54.840 -0.057 0.000 0.830 275 L CB -0.281 41.742 42.059 -0.061 0.000 0.996 275 L HN 0.776 nan 8.230 nan 0.000 0.467 276 A N -0.813 121.966 122.820 -0.069 0.000 2.597 276 A HA 0.641 4.567 4.320 -0.657 0.000 0.292 276 A C -0.989 176.559 177.584 -0.060 0.000 1.057 276 A CA -0.371 51.634 52.037 -0.052 0.000 0.674 276 A CB 1.194 20.169 19.000 -0.041 0.000 1.278 276 A HN -0.100 nan 8.150 nan 0.000 0.416 277 T N 2.228 116.762 114.554 -0.033 0.000 2.812 277 T HA 0.566 4.522 4.350 -0.657 0.000 0.282 277 T C -0.550 174.149 174.700 -0.002 0.000 0.990 277 T CA -0.482 61.605 62.100 -0.022 0.000 0.960 277 T CB 1.055 69.914 68.868 -0.016 0.000 0.948 277 T HN 0.573 nan 8.240 nan 0.000 0.438 278 K N 2.145 122.554 120.400 0.014 0.000 2.340 278 K HA 0.554 4.480 4.320 -0.657 0.000 0.244 278 K C -0.747 175.876 176.600 0.037 0.000 0.973 278 K CA -1.150 55.158 56.287 0.035 0.000 0.828 278 K CB 1.852 34.393 32.500 0.068 0.000 1.226 278 K HN 0.399 nan 8.250 nan 0.000 0.437 279 E N 2.212 122.434 120.200 0.037 0.000 2.145 279 E HA 0.401 4.357 4.350 -0.657 0.000 0.270 279 E C -0.509 176.117 176.600 0.045 0.000 0.906 279 E CA -0.434 55.988 56.400 0.037 0.000 0.761 279 E CB 1.531 31.249 29.700 0.030 0.000 1.116 279 E HN 0.440 nan 8.360 nan 0.000 0.408 280 I N 1.848 122.445 120.570 0.045 0.000 2.436 280 I HA 0.251 4.027 4.170 -0.657 0.000 0.289 280 I C 0.220 176.363 176.117 0.043 0.000 1.010 280 I CA -0.659 60.665 61.300 0.039 0.000 1.098 280 I CB 1.779 39.795 38.000 0.027 0.000 1.266 280 I HN 0.396 nan 8.210 nan 0.000 0.434 281 S N 5.309 121.042 115.700 0.054 0.000 2.638 281 S HA 0.893 4.969 4.470 -0.657 0.000 0.302 281 S C -0.522 174.064 174.600 -0.024 0.000 1.096 281 S CA -0.601 57.649 58.200 0.084 0.000 0.953 281 S CB 2.205 65.497 63.200 0.154 0.000 1.107 281 S HN 0.898 nan 8.310 nan 0.000 0.503 282 C N 0.231 119.539 119.300 0.014 0.000 3.321 282 C HA 0.700 4.767 4.460 -0.657 0.000 0.329 282 C C 0.949 175.968 174.990 0.049 0.000 1.394 282 C CA -0.778 58.136 59.018 -0.173 0.000 1.291 282 C CB 0.987 28.673 27.740 -0.089 0.000 1.606 282 C HN 1.206 nan 8.230 nan 0.000 0.463 283 R N -0.561 119.906 120.500 -0.055 0.000 2.105 283 R HA 0.228 4.174 4.340 -0.657 0.000 0.214 283 R C -0.439 175.726 176.300 -0.224 0.000 1.091 283 R CA 0.843 56.825 56.100 -0.196 0.000 1.007 283 R CB 0.023 30.072 30.300 -0.418 0.000 0.912 283 R HN 0.768 nan 8.270 nan 0.000 0.450 284 Y N 0.674 121.103 120.300 0.214 0.000 2.341 284 Y HA 0.438 4.594 4.550 -0.657 0.000 0.337 284 Y C -0.632 175.373 175.900 0.174 0.000 1.014 284 Y CA -1.290 56.952 58.100 0.236 0.000 1.111 284 Y CB 1.635 40.333 38.460 0.397 0.000 1.194 284 Y HN -0.039 nan 8.280 nan 0.000 0.462 285 L N 4.676 125.948 121.223 0.081 0.000 2.376 285 L HA 0.635 4.581 4.340 -0.657 0.000 0.275 285 L C -1.944 174.833 176.870 -0.156 0.000 0.987 285 L CA -0.954 53.868 54.840 -0.031 0.000 0.828 285 L CB 0.509 42.394 42.059 -0.290 0.000 1.249 285 L HN 0.449 nan 8.230 nan 0.000 0.409 286 F N 5.707 125.704 119.950 0.078 0.000 2.426 286 F HA 0.518 4.651 4.527 -0.657 0.000 0.348 286 F C -0.472 175.330 175.800 0.003 0.000 1.124 286 F CA -0.720 57.334 58.000 0.090 0.000 1.008 286 F CB 1.564 40.607 39.000 0.071 0.000 1.139 286 F HN 0.190 nan 8.300 nan 0.000 0.452 287 L N 3.132 124.420 121.223 0.109 0.000 2.260 287 L HA 0.503 4.449 4.340 -0.657 0.000 0.289 287 L C 0.783 177.689 176.870 0.060 0.000 1.057 287 L CA 0.024 54.888 54.840 0.040 0.000 0.811 287 L CB 1.144 43.185 42.059 -0.029 0.000 1.184 287 L HN 0.802 nan 8.230 nan 0.000 0.429 288 G N 1.947 110.771 108.800 0.041 0.000 4.543 288 G HA2 0.393 3.959 3.960 -0.657 0.000 0.286 288 G HA3 0.393 3.959 3.960 -0.657 0.000 0.286 288 G C 0.669 175.571 174.900 0.004 0.000 1.112 288 G CA 0.405 45.519 45.100 0.023 0.000 0.870 288 G HN 0.692 nan 8.290 nan 0.000 0.540 289 A N -0.033 122.784 122.820 -0.004 0.000 2.278 289 A HA 0.611 4.537 4.320 -0.657 0.000 0.212 289 A C 1.479 179.057 177.584 -0.011 0.000 1.213 289 A CA 0.931 52.957 52.037 -0.018 0.000 0.840 289 A CB -0.465 18.517 19.000 -0.031 0.000 0.866 289 A HN 1.875 nan 8.150 nan 0.000 0.489 290 G N -1.404 107.403 108.800 0.012 0.000 2.707 290 G HA2 -0.043 3.523 3.960 -0.657 0.000 0.686 290 G HA3 -0.043 3.523 3.960 -0.657 0.000 0.686 290 G C 0.756 175.678 174.900 0.038 0.000 1.315 290 G CA 0.224 45.350 45.100 0.043 0.000 0.832 290 G HN 1.002 nan 8.290 nan 0.000 0.573 291 S N -0.915 114.842 115.700 0.096 0.000 2.372 291 S HA -0.157 3.919 4.470 -0.657 0.000 0.227 291 S C 2.532 177.139 174.600 0.011 0.000 1.044 291 S CA 2.379 60.663 58.200 0.139 0.000 1.050 291 S CB -0.384 62.999 63.200 0.305 0.000 0.901 291 S HN 0.730 nan 8.310 nan 0.000 0.447 292 L N 0.188 121.423 121.223 0.021 0.000 2.023 292 L HA 0.067 4.013 4.340 -0.657 0.000 0.205 292 L C 2.948 179.698 176.870 -0.200 0.000 1.073 292 L CA 1.369 56.129 54.840 -0.134 0.000 0.745 292 L CB -1.251 40.850 42.059 0.070 0.000 0.900 292 L HN 0.512 nan 8.230 nan 0.000 0.435 293 G N -1.030 107.716 108.800 -0.091 0.000 2.394 293 G HA2 -0.171 3.396 3.960 -0.657 0.000 0.215 293 G HA3 -0.171 3.396 3.960 -0.657 0.000 0.215 293 G C 1.744 176.584 174.900 -0.100 0.000 1.165 293 G CA 0.706 45.756 45.100 -0.083 0.000 0.784 293 G HN 0.290 nan 8.290 nan 0.000 0.535 294 S N 0.444 116.090 115.700 -0.090 0.000 2.368 294 S HA -0.092 3.984 4.470 -0.657 0.000 0.224 294 S C 2.558 177.081 174.600 -0.128 0.000 1.029 294 S CA 1.659 59.807 58.200 -0.087 0.000 0.988 294 S CB -0.395 62.775 63.200 -0.051 0.000 0.838 294 S HN 0.417 nan 8.310 nan 0.000 0.462 295 T N 1.695 116.132 114.554 -0.195 0.000 2.777 295 T HA -0.110 3.846 4.350 -0.657 0.000 0.266 295 T C 1.815 176.359 174.700 -0.259 0.000 1.040 295 T CA 1.387 63.333 62.100 -0.257 0.000 1.141 295 T CB -0.254 68.333 68.868 -0.469 0.000 0.868 295 T HN 0.569 nan 8.240 nan 0.000 0.444 296 E N 0.748 120.781 120.200 -0.279 0.000 2.077 296 E HA -0.089 3.867 4.350 -0.657 0.000 0.193 296 E C 2.120 178.663 176.600 -0.094 0.000 0.989 296 E CA 0.761 57.072 56.400 -0.147 0.000 0.800 296 E CB -0.256 29.391 29.700 -0.089 0.000 0.746 296 E HN 0.420 nan 8.360 nan 0.000 0.452 297 L N 0.525 121.686 121.223 -0.103 0.000 2.042 297 L HA -0.219 3.727 4.340 -0.657 0.000 0.210 297 L C 2.517 179.309 176.870 -0.130 0.000 1.076 297 L CA 1.031 55.811 54.840 -0.101 0.000 0.749 297 L CB -0.275 41.728 42.059 -0.094 0.000 0.893 297 L HN 0.280 nan 8.230 nan 0.000 0.432 298 L N -0.948 120.197 121.223 -0.129 0.000 2.095 298 L HA -0.117 3.829 4.340 -0.657 0.000 0.204 298 L C 2.618 179.414 176.870 -0.123 0.000 1.080 298 L CA 0.855 55.618 54.840 -0.128 0.000 0.759 298 L CB -0.581 41.414 42.059 -0.106 0.000 0.914 298 L HN 0.225 nan 8.230 nan 0.000 0.439 299 V N -1.650 118.202 119.914 -0.103 0.000 2.343 299 V HA -0.270 3.456 4.120 -0.657 0.000 0.247 299 V C 2.599 178.522 176.094 -0.284 0.000 1.051 299 V CA 1.844 64.091 62.300 -0.089 0.000 1.036 299 V CB -0.911 30.933 31.823 0.034 0.000 0.654 299 V HN 0.452 nan 8.190 nan 0.000 0.451 300 R N 1.154 121.430 120.500 -0.374 0.000 2.073 300 R HA -0.110 3.836 4.340 -0.657 0.000 0.234 300 R C 2.340 178.347 176.300 -0.489 0.000 1.134 300 R CA 1.953 57.610 56.100 -0.738 0.000 0.952 300 R CB -0.724 29.359 30.300 -0.361 0.000 0.850 300 R HN 0.574 nan 8.270 nan 0.000 0.433 301 A N 1.112 123.768 122.820 -0.273 0.000 1.933 301 A HA -0.172 3.754 4.320 -0.657 0.000 0.218 301 A C 2.229 179.719 177.584 -0.157 0.000 1.175 301 A CA 1.394 53.316 52.037 -0.191 0.000 0.628 301 A CB -0.574 18.325 19.000 -0.168 0.000 0.814 301 A HN 0.443 nan 8.150 nan 0.000 0.444 302 R N -0.334 120.080 120.500 -0.144 0.000 2.070 302 R HA -0.162 3.784 4.340 -0.657 0.000 0.233 302 R C 1.287 177.536 176.300 -0.085 0.000 1.137 302 R CA 1.984 58.041 56.100 -0.073 0.000 0.945 302 R CB -0.336 29.939 30.300 -0.040 0.000 0.845 302 R HN 0.396 nan 8.270 nan 0.000 0.430 303 D N -0.569 119.737 120.400 -0.157 0.000 2.224 303 D HA -0.087 4.159 4.640 -0.657 0.000 0.205 303 D C 1.570 177.830 176.300 -0.066 0.000 0.965 303 D CA 1.681 55.632 54.000 -0.080 0.000 0.852 303 D CB -0.031 40.768 40.800 -0.002 0.000 0.947 303 D HN 0.452 nan 8.370 nan 0.000 0.494 304 T N -3.322 111.132 114.554 -0.167 0.000 3.129 304 T HA 0.332 4.288 4.350 -0.657 0.000 0.251 304 T C 1.592 176.269 174.700 -0.037 0.000 1.117 304 T CA 0.485 62.545 62.100 -0.068 0.000 1.034 304 T CB 0.242 69.058 68.868 -0.087 0.000 0.968 304 T HN 0.174 nan 8.240 nan 0.000 0.526 305 G N 1.336 110.112 108.800 -0.038 0.000 2.143 305 G HA2 -0.330 3.236 3.960 -0.657 0.000 0.249 305 G HA3 -0.330 3.236 3.960 -0.657 0.000 0.249 305 G C 0.901 175.798 174.900 -0.005 0.000 0.981 305 G CA 0.877 45.972 45.100 -0.008 0.000 0.665 305 G HN 0.941 nan 8.290 nan 0.000 0.528 306 T N -2.060 112.476 114.554 -0.029 0.000 3.051 306 T HA 0.483 4.439 4.350 -0.657 0.000 0.255 306 T C 1.103 175.789 174.700 -0.023 0.000 1.085 306 T CA 0.837 62.923 62.100 -0.024 0.000 1.109 306 T CB 0.222 69.065 68.868 -0.041 0.000 0.921 306 T HN 0.519 nan 8.240 nan 0.000 0.488 307 L N 2.286 123.486 121.223 -0.037 0.000 2.529 307 L HA 0.370 4.316 4.340 -0.657 0.000 0.246 307 L C -1.957 174.993 176.870 0.133 0.000 1.394 307 L CA -1.907 52.920 54.840 -0.021 0.000 0.906 307 L CB 1.843 43.724 42.059 -0.297 0.000 1.170 307 L HN -0.042 nan 8.230 nan 0.000 0.501 308 P HA -0.069 nan 4.420 nan 0.000 0.230 308 P C 0.445 177.819 177.300 0.123 0.000 1.158 308 P CA 0.913 64.076 63.100 0.105 0.000 0.769 308 P CB 0.315 32.057 31.700 0.070 0.000 0.807 309 N N -0.263 118.560 118.700 0.206 0.000 2.314 309 N HA 0.123 4.469 4.740 -0.657 0.000 0.200 309 N C 0.612 176.203 175.510 0.136 0.000 1.135 309 N CA -0.020 53.063 53.050 0.055 0.000 0.835 309 N CB -0.199 38.162 38.487 -0.210 0.000 0.989 309 N HN 0.261 nan 8.380 nan 0.000 0.478 310 L N 1.611 122.986 121.223 0.253 0.000 2.461 310 L HA 0.031 3.977 4.340 -0.657 0.000 0.272 310 L C 0.957 177.875 176.870 0.079 0.000 1.197 310 L CA -0.427 54.514 54.840 0.168 0.000 0.836 310 L CB 0.206 42.328 42.059 0.106 0.000 1.105 310 L HN 0.194 nan 8.230 nan 0.000 0.477 311 N N -0.076 118.660 118.700 0.060 0.000 2.405 311 N HA 0.071 4.418 4.740 -0.657 0.000 0.269 311 N C 0.662 176.195 175.510 0.039 0.000 1.249 311 N CA -0.206 52.867 53.050 0.039 0.000 0.974 311 N CB 0.662 39.167 38.487 0.030 0.000 1.204 311 N HN 0.535 nan 8.380 nan 0.000 0.565 312 S N -1.689 114.032 115.700 0.035 0.000 2.481 312 S HA -0.035 4.041 4.470 -0.657 0.000 0.231 312 S C 0.891 175.519 174.600 0.046 0.000 0.996 312 S CA 0.315 58.538 58.200 0.039 0.000 0.942 312 S CB -0.345 62.875 63.200 0.033 0.000 0.768 312 S HN 0.565 nan 8.310 nan 0.000 0.520 313 E N 1.364 121.590 120.200 0.043 0.000 2.358 313 E HA 0.140 4.096 4.350 -0.657 0.000 0.195 313 E C 0.229 176.865 176.600 0.060 0.000 1.010 313 E CA 0.063 56.493 56.400 0.050 0.000 0.856 313 E CB -0.256 29.468 29.700 0.039 0.000 0.795 313 E HN 0.396 nan 8.360 nan 0.000 0.504 314 V N 1.093 121.039 119.914 0.053 0.000 2.493 314 V HA 0.199 3.925 4.120 -0.657 0.000 0.292 314 V C 1.538 177.680 176.094 0.080 0.000 1.016 314 V CA 1.278 63.609 62.300 0.051 0.000 1.097 314 V CB 0.438 32.277 31.823 0.027 0.000 0.947 314 V HN 0.517 nan 8.190 nan 0.000 0.479 315 G N 3.752 112.621 108.800 0.115 0.000 2.254 315 G HA2 -0.101 3.465 3.960 -0.657 0.000 0.225 315 G HA3 -0.101 3.465 3.960 -0.657 0.000 0.225 315 G C 0.403 175.461 174.900 0.262 0.000 1.003 315 G CA 0.189 45.414 45.100 0.207 0.000 0.622 315 G HN 1.390 nan 8.290 nan 0.000 0.507 316 A N -0.198 122.732 122.820 0.183 0.000 2.257 316 A HA 0.796 4.722 4.320 -0.657 0.000 0.289 316 A C 1.871 179.571 177.584 0.194 0.000 1.095 316 A CA 1.171 53.307 52.037 0.165 0.000 0.836 316 A CB 0.402 19.465 19.000 0.106 0.000 1.111 316 A HN 2.304 nan 8.150 nan 0.000 0.497 317 G N -1.847 107.060 108.800 0.178 0.000 2.160 317 G HA2 -0.233 3.333 3.960 -0.657 0.000 0.244 317 G HA3 -0.233 3.333 3.960 -0.657 0.000 0.244 317 G C -0.117 174.898 174.900 0.192 0.000 1.022 317 G CA 0.508 45.699 45.100 0.152 0.000 0.741 317 G HN 1.295 nan 8.290 nan 0.000 0.508 318 W N 0.741 122.087 121.300 0.076 0.000 2.272 318 W HA 0.586 4.851 4.660 -0.658 0.000 0.318 318 W C 0.552 177.071 176.519 -0.001 0.000 1.255 318 W CA 0.621 57.994 57.345 0.047 0.000 1.200 318 W CB 1.270 30.721 29.460 -0.015 0.000 1.170 318 W HN 0.625 nan 8.180 nan 0.000 0.549 319 G N 5.078 113.283 108.800 -0.992 0.000 2.690 319 G HA2 0.434 4.000 3.960 -0.657 0.000 0.293 319 G HA3 0.434 4.000 3.960 -0.657 0.000 0.293 319 G C -2.769 171.129 174.900 -1.669 0.000 1.399 319 G CA -1.233 43.181 45.100 -1.142 0.000 0.890 319 G HN 0.274 nan 8.290 nan 0.000 0.485 320 P HA 0.105 nan 4.420 nan 0.000 0.249 320 P C 0.373 177.411 177.300 -0.435 0.000 1.544 320 P CA -0.359 62.212 63.100 -0.882 0.000 0.932 320 P CB 0.027 31.294 31.700 -0.721 0.000 1.524 321 N N 0.965 119.469 118.700 -0.328 0.000 2.708 321 N HA -0.204 4.142 4.740 -0.657 0.000 0.249 321 N C 0.955 176.446 175.510 -0.032 0.000 1.097 321 N CA 1.384 54.377 53.050 -0.096 0.000 0.710 321 N CB -1.946 36.565 38.487 0.040 0.000 1.032 321 N HN 0.391 nan 8.380 nan 0.000 0.551 322 G N -0.989 107.767 108.800 -0.073 0.000 2.203 322 G HA2 -0.381 3.185 3.960 -0.657 0.000 0.263 322 G HA3 -0.381 3.185 3.960 -0.657 0.000 0.263 322 G C -0.009 174.877 174.900 -0.025 0.000 1.012 322 G CA 0.435 45.539 45.100 0.007 0.000 0.749 322 G HN 0.781 nan 8.290 nan 0.000 0.512 323 N N 0.117 118.713 118.700 -0.173 0.000 2.468 323 N HA 0.417 4.763 4.740 -0.657 0.000 0.265 323 N C -0.085 175.295 175.510 -0.217 0.000 1.199 323 N CA -0.027 52.871 53.050 -0.255 0.000 0.928 323 N CB 0.519 38.622 38.487 -0.639 0.000 1.059 323 N HN 0.126 nan 8.380 nan 0.000 0.467 324 I N 2.571 123.170 120.570 0.048 0.000 2.656 324 I HA 0.262 4.038 4.170 -0.657 0.000 0.292 324 I C -0.496 175.812 176.117 0.317 0.000 1.144 324 I CA -0.515 60.903 61.300 0.196 0.000 1.038 324 I CB 1.874 39.965 38.000 0.151 0.000 1.244 324 I HN 0.472 nan 8.210 nan 0.000 0.420 325 M N 4.494 124.263 119.600 0.282 0.000 2.336 325 M HA 0.614 4.700 4.480 -0.657 0.000 0.342 325 M C -0.375 176.014 176.300 0.149 0.000 1.128 325 M CA 0.342 55.702 55.300 0.101 0.000 1.016 325 M CB 1.633 34.075 32.600 -0.264 0.000 1.665 325 M HN 0.722 nan 8.290 nan 0.000 0.445 326 T N 2.622 117.291 114.554 0.192 0.000 2.792 326 T HA 0.953 4.909 4.350 -0.657 0.000 0.303 326 T C -2.170 172.580 174.700 0.084 0.000 1.310 326 T CA -0.359 61.798 62.100 0.096 0.000 1.007 326 T CB 1.317 70.153 68.868 -0.054 0.000 1.335 326 T HN 0.919 nan 8.240 nan 0.000 0.504 327 A N 1.980 124.807 122.820 0.013 0.000 2.549 327 A HA 0.863 4.789 4.320 -0.657 0.000 0.297 327 A C -1.145 176.487 177.584 0.081 0.000 1.061 327 A CA -0.757 51.298 52.037 0.029 0.000 0.690 327 A CB 1.573 20.526 19.000 -0.078 0.000 1.287 327 A HN 0.782 nan 8.150 nan 0.000 0.402 328 R N 0.457 121.020 120.500 0.105 0.000 2.711 328 R HA 0.691 4.637 4.340 -0.657 0.000 0.284 328 R C -0.297 175.999 176.300 -0.006 0.000 0.968 328 R CA -0.573 55.551 56.100 0.040 0.000 0.924 328 R CB 2.286 32.643 30.300 0.096 0.000 1.162 328 R HN 0.898 nan 8.270 nan 0.000 0.465 329 A N 3.201 125.993 122.820 -0.046 0.000 2.302 329 A HA 0.225 4.151 4.320 -0.657 0.000 0.295 329 A C -0.255 177.254 177.584 -0.126 0.000 1.235 329 A CA -0.587 51.423 52.037 -0.045 0.000 0.876 329 A CB 0.088 19.067 19.000 -0.035 0.000 1.133 329 A HN 0.664 nan 8.150 nan 0.000 0.533 330 N N 1.535 120.184 118.700 -0.086 0.000 2.467 330 N HA 0.106 4.452 4.740 -0.657 0.000 0.262 330 N C -0.189 175.120 175.510 -0.334 0.000 1.234 330 N CA -0.188 52.740 53.050 -0.203 0.000 0.952 330 N CB 0.352 38.813 38.487 -0.043 0.000 1.158 330 N HN 0.651 nan 8.380 nan 0.000 0.463 331 H N 1.386 120.177 119.070 -0.466 0.000 2.929 331 H HA -0.018 4.144 4.556 -0.656 0.000 0.358 331 H C 1.501 176.365 175.328 -0.773 0.000 1.111 331 H CA 0.219 55.696 56.048 -0.951 0.000 1.409 331 H CB 0.690 29.227 29.762 -2.042 0.000 1.373 331 H HN 0.422 nan 8.280 nan 0.000 0.610 332 M N 1.023 120.267 119.600 -0.594 0.000 2.202 332 M HA -0.158 3.928 4.480 -0.657 0.000 0.262 332 M C 1.743 178.114 176.300 0.118 0.000 1.063 332 M CA 1.341 56.432 55.300 -0.349 0.000 1.097 332 M CB -0.765 31.693 32.600 -0.236 0.000 1.382 332 M HN 0.769 nan 8.290 nan 0.000 0.413 333 W N 0.178 121.564 121.300 0.143 0.000 3.077 333 W HA 0.103 4.378 4.660 -0.642 0.000 0.245 333 W C 0.025 176.647 176.519 0.171 0.000 1.316 333 W CA -0.182 57.245 57.345 0.137 0.000 1.537 333 W CB -0.863 28.635 29.460 0.063 0.000 1.131 333 W HN 0.060 nan 8.180 nan 0.000 0.695 334 N N 2.389 121.136 118.700 0.079 0.000 2.818 334 N HA 0.193 4.539 4.740 -0.657 0.000 0.301 334 N C -2.750 172.836 175.510 0.127 0.000 1.821 334 N CA -1.598 51.507 53.050 0.091 0.000 0.930 334 N CB 0.285 38.773 38.487 0.003 0.000 1.263 334 N HN -0.015 nan 8.380 nan 0.000 0.487 335 P HA 0.052 nan 4.420 nan 0.000 0.269 335 P C 0.839 178.023 177.300 -0.193 0.000 1.209 335 P CA 0.068 63.048 63.100 -0.200 0.000 0.776 335 P CB 0.926 32.473 31.700 -0.255 0.000 0.876 336 T N -1.487 112.894 114.554 -0.289 0.000 3.081 336 T HA 0.390 4.346 4.350 -0.657 0.000 0.250 336 T C 0.838 175.417 174.700 -0.202 0.000 1.100 336 T CA 0.279 62.277 62.100 -0.170 0.000 1.038 336 T CB -0.713 68.080 68.868 -0.126 0.000 0.962 336 T HN 0.848 nan 8.240 nan 0.000 0.516 337 G N 0.227 108.827 108.800 -0.333 0.000 2.697 337 G HA2 0.280 3.846 3.960 -0.657 0.000 0.686 337 G HA3 0.280 3.846 3.960 -0.657 0.000 0.686 337 G C 0.482 175.107 174.900 -0.457 0.000 1.179 337 G CA -0.496 44.394 45.100 -0.351 0.000 0.765 337 G HN 0.724 nan 8.290 nan 0.000 0.649 338 A N 1.268 123.742 122.820 -0.577 0.000 2.119 338 A HA 0.287 4.213 4.320 -0.657 0.000 0.216 338 A C 0.908 178.004 177.584 -0.814 0.000 1.152 338 A CA 1.356 52.962 52.037 -0.718 0.000 0.708 338 A CB -0.110 18.415 19.000 -0.792 0.000 0.805 338 A HN 0.868 nan 8.150 nan 0.000 0.460 339 H N 0.675 119.483 119.070 -0.437 0.000 2.673 339 H HA 0.438 4.626 4.556 -0.613 0.000 0.293 339 H C -0.903 174.195 175.328 -0.384 0.000 1.065 339 H CA -0.176 55.498 56.048 -0.624 0.000 1.236 339 H CB 0.345 29.265 29.762 -1.404 0.000 1.389 339 H HN 0.462 nan 8.280 nan 0.000 0.481 340 Q N 1.614 121.421 119.800 0.011 0.000 2.325 340 Q HA 0.234 4.181 4.340 -0.657 0.000 0.270 340 Q C -0.029 176.042 176.000 0.119 0.000 1.020 340 Q CA -0.671 55.114 55.803 -0.030 0.000 0.785 340 Q CB 2.942 31.407 28.738 -0.456 0.000 1.259 340 Q HN 0.477 nan 8.270 nan 0.000 0.452 341 S N 0.966 116.748 115.700 0.137 0.000 2.552 341 S HA -0.039 4.037 4.470 -0.657 0.000 0.289 341 S C 1.272 175.833 174.600 -0.065 0.000 1.304 341 S CA 0.312 58.499 58.200 -0.021 0.000 1.063 341 S CB 0.518 63.562 63.200 -0.261 0.000 0.848 341 S HN 0.757 nan 8.310 nan 0.000 0.499 342 S N 4.884 120.538 115.700 -0.077 0.000 2.515 342 S HA 0.092 4.168 4.470 -0.657 0.000 0.231 342 S C 0.652 175.247 174.600 -0.009 0.000 0.987 342 S CA 0.111 58.263 58.200 -0.080 0.000 0.936 342 S CB -0.250 62.895 63.200 -0.092 0.000 0.766 342 S HN 0.637 nan 8.310 nan 0.000 0.528 343 I N 3.949 124.547 120.570 0.047 0.000 2.315 343 I HA 0.419 4.195 4.170 -0.657 0.000 0.291 343 I C -2.537 173.850 176.117 0.450 0.000 1.006 343 I CA -2.893 58.502 61.300 0.159 0.000 1.265 343 I CB 0.670 38.657 38.000 -0.022 0.000 1.387 343 I HN 0.042 nan 8.210 nan 0.000 0.475 344 P HA 0.177 nan 4.420 nan 0.000 0.271 344 P C 0.016 177.626 177.300 0.516 0.000 1.218 344 P CA -0.173 63.254 63.100 0.545 0.000 0.780 344 P CB 1.387 33.337 31.700 0.417 0.000 0.901 345 A N 3.220 126.300 122.820 0.434 0.000 2.312 345 A HA 0.299 4.225 4.320 -0.657 0.000 0.215 345 A C 0.408 178.012 177.584 0.033 0.000 1.256 345 A CA 0.329 52.466 52.037 0.168 0.000 0.966 345 A CB 0.217 19.077 19.000 -0.233 0.000 1.053 345 A HN 0.472 nan 8.150 nan 0.000 0.510 346 L N -0.050 121.195 121.223 0.037 0.000 2.408 346 L HA 0.675 4.621 4.340 -0.657 0.000 0.268 346 L C -0.180 176.657 176.870 -0.055 0.000 0.986 346 L CA -0.624 54.139 54.840 -0.129 0.000 0.820 346 L CB 2.147 44.080 42.059 -0.211 0.000 1.303 346 L HN 0.271 nan 8.230 nan 0.000 0.411 347 G N 2.918 111.584 108.800 -0.223 0.000 2.569 347 G HA2 0.678 4.244 3.960 -0.657 0.000 0.300 347 G HA3 0.678 4.244 3.960 -0.657 0.000 0.300 347 G C -1.147 173.427 174.900 -0.544 0.000 1.269 347 G CA -0.555 44.220 45.100 -0.541 0.000 0.959 347 G HN 0.453 nan 8.290 nan 0.000 0.478 348 I N 1.355 121.585 120.570 -0.567 0.000 2.307 348 I HA 0.190 3.966 4.170 -0.657 0.000 0.289 348 I C -0.776 174.986 176.117 -0.592 0.000 1.021 348 I CA -0.471 60.574 61.300 -0.425 0.000 1.224 348 I CB 1.669 39.514 38.000 -0.259 0.000 1.376 348 I HN 0.254 nan 8.210 nan 0.000 0.470 349 D N 6.829 126.943 120.400 -0.476 0.000 2.485 349 D HA 0.364 4.610 4.640 -0.657 0.000 0.221 349 D C 0.138 176.390 176.300 -0.080 0.000 1.112 349 D CA -0.299 53.501 54.000 -0.332 0.000 0.911 349 D CB 1.444 42.171 40.800 -0.122 0.000 1.019 349 D HN 0.598 nan 8.370 nan 0.000 0.516 350 A N 5.055 127.854 122.820 -0.035 0.000 3.003 350 A HA 0.145 4.071 4.320 -0.657 0.000 0.301 350 A C -0.329 177.290 177.584 0.060 0.000 1.280 350 A CA -0.796 51.227 52.037 -0.023 0.000 0.973 350 A CB -0.210 18.723 19.000 -0.112 0.000 1.110 350 A HN 0.544 nan 8.150 nan 0.000 0.590 351 W N 2.238 123.532 121.300 -0.010 0.000 2.294 351 W HA 0.395 4.660 4.660 -0.658 0.000 0.314 351 W C -1.024 175.482 176.519 -0.021 0.000 1.044 351 W CA -0.449 56.895 57.345 -0.002 0.000 1.284 351 W CB 1.416 30.915 29.460 0.064 0.000 1.231 351 W HN 0.589 nan 8.180 nan 0.000 0.419 352 D N 3.095 123.393 120.400 -0.171 0.000 2.513 352 D HA 0.019 4.265 4.640 -0.657 0.000 0.222 352 D C 0.402 176.636 176.300 -0.109 0.000 1.210 352 D CA -0.183 53.785 54.000 -0.054 0.000 0.825 352 D CB -0.162 40.599 40.800 -0.065 0.000 1.037 352 D HN 0.358 nan 8.370 nan 0.000 0.506 353 N N -0.503 117.988 118.700 -0.348 0.000 2.980 353 N HA -0.170 4.176 4.740 -0.657 0.000 0.219 353 N C 0.118 175.482 175.510 -0.243 0.000 0.883 353 N CA 1.242 54.174 53.050 -0.197 0.000 1.018 353 N CB -1.792 36.795 38.487 0.167 0.000 1.041 353 N HN 0.566 nan 8.380 nan 0.000 0.592 354 S N -0.035 115.489 115.700 -0.293 0.000 2.655 354 S HA 0.311 4.387 4.470 -0.657 0.000 0.265 354 S C 0.888 175.312 174.600 -0.293 0.000 1.240 354 S CA -0.250 57.820 58.200 -0.217 0.000 0.986 354 S CB 1.227 64.328 63.200 -0.164 0.000 0.985 354 S HN 0.045 nan 8.310 nan 0.000 0.562 355 D N 0.669 120.955 120.400 -0.190 0.000 2.350 355 D HA 0.007 4.253 4.640 -0.657 0.000 0.216 355 D C 1.403 177.580 176.300 -0.204 0.000 0.968 355 D CA 0.832 54.725 54.000 -0.178 0.000 0.894 355 D CB -0.294 40.444 40.800 -0.103 0.000 0.909 355 D HN 0.509 nan 8.370 nan 0.000 0.520 356 S N 0.003 115.574 115.700 -0.215 0.000 2.562 356 S HA 0.020 4.096 4.470 -0.657 0.000 0.221 356 S C 0.879 175.319 174.600 -0.268 0.000 0.975 356 S CA -0.176 57.906 58.200 -0.196 0.000 0.918 356 S CB 0.278 63.388 63.200 -0.151 0.000 0.772 356 S HN 0.058 nan 8.310 nan 0.000 0.531 357 S N 1.814 117.238 115.700 -0.461 0.000 2.558 357 S HA 0.223 4.299 4.470 -0.657 0.000 0.293 357 S C -0.120 174.268 174.600 -0.353 0.000 1.292 357 S CA 0.028 57.842 58.200 -0.643 0.000 1.063 357 S CB 0.558 62.741 63.200 -1.695 0.000 0.831 357 S HN 0.158 nan 8.310 nan 0.000 0.499 358 V N 3.331 123.219 119.914 -0.044 0.000 2.808 358 V HA 0.422 4.148 4.120 -0.657 0.000 0.308 358 V C -1.155 175.177 176.094 0.398 0.000 1.099 358 V CA -0.864 61.559 62.300 0.205 0.000 0.920 358 V CB 1.982 33.841 31.823 0.059 0.000 1.014 358 V HN 0.974 nan 8.190 nan 0.000 0.425 359 W N 4.396 125.901 121.300 0.341 0.000 2.411 359 W HA 0.770 5.036 4.660 -0.657 0.000 0.317 359 W C -0.216 176.423 176.519 0.200 0.000 1.030 359 W CA -0.393 57.079 57.345 0.212 0.000 1.239 359 W CB 1.492 31.018 29.460 0.109 0.000 1.304 359 W HN 0.732 nan 8.180 nan 0.000 0.437 360 A N 5.213 128.069 122.820 0.060 0.000 2.304 360 A HA 0.332 4.258 4.320 -0.657 0.000 0.314 360 A C -0.538 177.109 177.584 0.105 0.000 1.187 360 A CA -0.673 51.520 52.037 0.260 0.000 0.810 360 A CB 0.996 20.217 19.000 0.369 0.000 1.183 360 A HN 0.652 nan 8.150 nan 0.000 0.487 361 E N 3.001 123.452 120.200 0.417 0.000 2.384 361 E HA 0.190 4.146 4.350 -0.657 0.000 0.266 361 E C -0.882 175.929 176.600 0.352 0.000 1.012 361 E CA -0.125 56.507 56.400 0.387 0.000 0.901 361 E CB 0.396 30.395 29.700 0.498 0.000 0.967 361 E HN 0.579 nan 8.360 nan 0.000 0.435 362 I N 4.109 124.852 120.570 0.289 0.000 2.294 362 I HA 0.162 3.938 4.170 -0.657 0.000 0.295 362 I C 0.212 176.534 176.117 0.342 0.000 1.098 362 I CA -0.219 61.248 61.300 0.278 0.000 1.277 362 I CB 0.746 38.880 38.000 0.224 0.000 1.434 362 I HN 0.443 nan 8.210 nan 0.000 0.498 363 A N 9.657 132.589 122.820 0.185 0.000 2.301 363 A HA 0.696 4.622 4.320 -0.657 0.000 0.298 363 A C -2.395 175.164 177.584 -0.042 0.000 1.185 363 A CA -1.548 50.574 52.037 0.142 0.000 0.830 363 A CB 0.223 19.265 19.000 0.070 0.000 1.112 363 A HN 0.373 nan 8.150 nan 0.000 0.508 364 P HA 0.299 nan 4.420 nan 0.000 0.274 364 P C -0.683 176.338 177.300 -0.466 0.000 1.231 364 P CA 0.045 62.632 63.100 -0.855 0.000 0.790 364 P CB 0.721 31.935 31.700 -0.809 0.000 0.951 365 M N 2.878 122.176 119.600 -0.504 0.000 2.456 365 M HA 0.304 4.390 4.480 -0.657 0.000 0.324 365 M C -1.690 174.419 176.300 -0.318 0.000 1.124 365 M CA -1.962 53.127 55.300 -0.351 0.000 0.959 365 M CB 2.799 35.162 32.600 -0.396 0.000 1.692 365 M HN 0.204 nan 8.290 nan 0.000 0.444 366 P HA 0.126 nan 4.420 nan 0.000 0.255 366 P C 0.786 177.996 177.300 -0.150 0.000 1.248 366 P CA 0.425 63.433 63.100 -0.153 0.000 0.807 366 P CB 0.090 31.735 31.700 -0.092 0.000 1.150 367 A N 1.129 123.807 122.820 -0.237 0.000 1.986 367 A HA 0.066 3.992 4.320 -0.657 0.000 0.220 367 A C 2.006 179.464 177.584 -0.210 0.000 1.171 367 A CA 1.959 53.855 52.037 -0.235 0.000 0.640 367 A CB -1.745 16.905 19.000 -0.584 0.000 0.811 367 A HN 0.316 nan 8.150 nan 0.000 0.451 368 G N -2.293 106.350 108.800 -0.262 0.000 2.159 368 G HA2 -0.172 3.394 3.960 -0.657 0.000 0.256 368 G HA3 -0.172 3.394 3.960 -0.657 0.000 0.256 368 G C 0.081 174.809 174.900 -0.286 0.000 0.977 368 G CA 0.754 45.722 45.100 -0.219 0.000 0.652 368 G HN 1.611 nan 8.290 nan 0.000 0.531 369 L N -3.598 117.417 121.223 -0.346 0.000 2.403 369 L HA 0.984 4.930 4.340 -0.657 0.000 0.253 369 L C -0.221 176.367 176.870 -0.470 0.000 1.045 369 L CA -1.722 52.908 54.840 -0.350 0.000 0.845 369 L CB 1.173 43.099 42.059 -0.221 0.000 1.447 369 L HN -0.009 nan 8.230 nan 0.000 0.411 370 E N 0.304 120.207 120.200 -0.494 0.000 2.324 370 E HA 0.318 4.274 4.350 -0.657 0.000 0.271 370 E C 0.455 176.639 176.600 -0.692 0.000 1.028 370 E CA 0.697 56.660 56.400 -0.728 0.000 0.890 370 E CB 1.014 30.146 29.700 -0.946 0.000 1.004 370 E HN 0.776 nan 8.360 nan 0.000 0.431 371 T N 1.031 115.188 114.554 -0.662 0.000 3.004 371 T HA 0.071 4.027 4.350 -0.657 0.000 0.266 371 T C 0.444 175.196 174.700 0.085 0.000 0.986 371 T CA -0.029 61.907 62.100 -0.273 0.000 0.902 371 T CB -0.290 68.202 68.868 -0.627 0.000 1.118 371 T HN 0.651 nan 8.240 nan 0.000 0.522 372 W N 0.658 121.852 121.300 -0.176 0.000 2.902 372 W HA -0.230 4.153 4.660 -0.460 0.000 0.278 372 W C -0.611 175.820 176.519 -0.147 0.000 1.066 372 W CA 0.026 57.284 57.345 -0.145 0.000 0.570 372 W CB -2.126 27.262 29.460 -0.119 0.000 2.092 372 W HN 0.233 nan 8.180 nan 0.000 1.423 373 V N 1.332 121.215 119.914 -0.052 0.000 2.509 373 V HA 0.349 4.075 4.120 -0.657 0.000 0.284 373 V C 0.846 176.862 176.094 -0.131 0.000 1.047 373 V CA 0.034 62.292 62.300 -0.070 0.000 0.952 373 V CB 1.750 33.511 31.823 -0.103 0.000 0.988 373 V HN -0.009 nan 8.190 nan 0.000 0.469 374 S N 4.822 120.453 115.700 -0.115 0.000 2.437 374 S HA 0.648 4.724 4.470 -0.657 0.000 0.305 374 S C -0.608 173.745 174.600 -0.412 0.000 1.109 374 S CA -0.371 57.689 58.200 -0.233 0.000 1.099 374 S CB 1.228 64.340 63.200 -0.146 0.000 1.004 374 S HN 0.518 nan 8.310 nan 0.000 0.475 375 L N 4.103 125.010 121.223 -0.527 0.000 2.334 375 L HA 0.691 4.637 4.340 -0.657 0.000 0.276 375 L C -1.800 174.690 176.870 -0.634 0.000 1.014 375 L CA -0.393 54.197 54.840 -0.416 0.000 0.815 375 L CB 0.836 42.774 42.059 -0.201 0.000 1.268 375 L HN 0.630 nan 8.230 nan 0.000 0.428 376 Y N 4.206 124.506 120.300 -0.001 0.000 2.492 376 Y HA 0.539 4.703 4.550 -0.643 0.000 0.346 376 Y C -0.806 175.154 175.900 0.100 0.000 0.997 376 Y CA -0.718 57.412 58.100 0.050 0.000 1.025 376 Y CB 1.876 40.277 38.460 -0.098 0.000 1.263 376 Y HN 0.434 nan 8.280 nan 0.000 0.454 377 L N 3.190 124.616 121.223 0.339 0.000 2.295 377 L HA 0.828 4.774 4.340 -0.657 0.000 0.281 377 L C -0.420 176.685 176.870 0.392 0.000 1.018 377 L CA -0.583 54.447 54.840 0.317 0.000 0.841 377 L CB 0.499 42.730 42.059 0.286 0.000 1.218 377 L HN 0.868 nan 8.230 nan 0.000 0.424 378 A N 6.298 129.339 122.820 0.368 0.000 2.331 378 A HA 0.658 4.584 4.320 -0.657 0.000 0.283 378 A C -0.493 177.284 177.584 0.320 0.000 1.142 378 A CA -0.412 51.861 52.037 0.393 0.000 0.812 378 A CB 0.428 19.670 19.000 0.403 0.000 1.074 378 A HN 0.711 nan 8.150 nan 0.000 0.497 379 I N 2.570 123.368 120.570 0.379 0.000 2.362 379 I HA 0.411 4.187 4.170 -0.657 0.000 0.289 379 I C 0.532 176.911 176.117 0.438 0.000 0.994 379 I CA -0.185 61.317 61.300 0.335 0.000 1.158 379 I CB 1.998 40.175 38.000 0.295 0.000 1.315 379 I HN 0.831 nan 8.210 nan 0.000 0.451 380 T N 1.936 116.700 114.554 0.351 0.000 2.888 380 T HA 0.464 4.420 4.350 -0.657 0.000 0.288 380 T C -0.584 174.281 174.700 0.275 0.000 1.063 380 T CA -0.994 61.270 62.100 0.273 0.000 1.010 380 T CB 2.183 71.118 68.868 0.112 0.000 1.214 380 T HN 0.492 nan 8.240 nan 0.000 0.533 381 K N 1.547 121.964 120.400 0.028 0.000 2.414 381 K HA 0.343 4.269 4.320 -0.657 0.000 0.251 381 K C -1.031 175.587 176.600 0.029 0.000 1.037 381 K CA -0.557 55.753 56.287 0.038 0.000 0.980 381 K CB 0.125 32.476 32.500 -0.248 0.000 1.280 381 K HN 0.620 nan 8.250 nan 0.000 0.451 382 N N 4.912 123.665 118.700 0.087 0.000 2.442 382 N HA 0.267 4.613 4.740 -0.657 0.000 0.274 382 N C -1.862 173.705 175.510 0.096 0.000 1.002 382 N CA -2.080 51.016 53.050 0.076 0.000 0.910 382 N CB 1.707 40.253 38.487 0.099 0.000 1.244 382 N HN 0.333 nan 8.380 nan 0.000 0.492 383 P HA -0.043 nan 4.420 nan 0.000 0.233 383 P C -0.262 177.087 177.300 0.082 0.000 1.167 383 P CA 0.496 63.638 63.100 0.070 0.000 0.770 383 P CB 0.409 32.134 31.700 0.042 0.000 0.837 384 Q N 1.117 120.973 119.800 0.093 0.000 2.349 384 Q HA 0.094 4.040 4.340 -0.657 0.000 0.287 384 Q C 0.436 176.587 176.000 0.252 0.000 1.044 384 Q CA 0.821 56.678 55.803 0.089 0.000 0.918 384 Q CB 0.614 29.331 28.738 -0.034 0.000 1.242 384 Q HN 0.200 nan 8.270 nan 0.000 0.405 385 R N 0.304 120.942 120.500 0.232 0.000 2.795 385 R HA 0.691 4.637 4.340 -0.657 0.000 0.275 385 R C -0.094 176.442 176.300 0.393 0.000 0.981 385 R CA -0.680 55.634 56.100 0.356 0.000 0.917 385 R CB 1.801 32.218 30.300 0.195 0.000 1.202 385 R HN 0.742 nan 8.270 nan 0.000 0.469 386 G N -0.209 108.937 108.800 0.578 0.000 2.597 386 G HA2 0.603 4.169 3.960 -0.657 0.000 0.317 386 G HA3 0.603 4.169 3.960 -0.657 0.000 0.317 386 G C -1.036 173.966 174.900 0.171 0.000 1.230 386 G CA -0.242 45.091 45.100 0.389 0.000 0.996 386 G HN 0.312 nan 8.290 nan 0.000 0.490 387 T N 0.243 114.789 114.554 -0.012 0.000 2.886 387 T HA 0.442 4.399 4.350 -0.657 0.000 0.292 387 T C -1.116 173.463 174.700 -0.202 0.000 1.012 387 T CA -0.165 61.921 62.100 -0.023 0.000 0.982 387 T CB 1.231 70.122 68.868 0.038 0.000 1.018 387 T HN 0.246 nan 8.240 nan 0.000 0.451 388 F N 2.049 121.971 119.950 -0.047 0.000 2.420 388 F HA 0.501 4.634 4.527 -0.657 0.000 0.352 388 F C 0.248 176.044 175.800 -0.006 0.000 1.108 388 F CA -0.571 57.376 58.000 -0.089 0.000 1.162 388 F CB 0.907 39.847 39.000 -0.100 0.000 1.118 388 F HN 0.147 nan 8.300 nan 0.000 0.510 389 V N 4.761 124.777 119.914 0.170 0.000 2.407 389 V HA 0.153 3.879 4.120 -0.657 0.000 0.291 389 V C -0.699 175.502 176.094 0.179 0.000 1.018 389 V CA -1.134 61.253 62.300 0.144 0.000 0.842 389 V CB 1.165 33.031 31.823 0.071 0.000 0.996 389 V HN 0.492 nan 8.190 nan 0.000 0.426 390 Y N 3.730 124.068 120.300 0.064 0.000 2.620 390 Y HA 0.221 4.377 4.550 -0.657 0.000 0.330 390 Y C 0.378 176.305 175.900 0.044 0.000 1.186 390 Y CA -0.324 57.807 58.100 0.052 0.000 1.467 390 Y CB 0.674 39.156 38.460 0.036 0.000 1.262 390 Y HN 0.769 nan 8.280 nan 0.000 0.550 391 D N 5.004 125.099 120.400 -0.508 0.000 2.467 391 D HA 0.359 4.605 4.640 -0.657 0.000 0.220 391 D C 0.567 176.343 176.300 -0.872 0.000 1.103 391 D CA 0.180 53.892 54.000 -0.481 0.000 0.886 391 D CB 0.906 41.564 40.800 -0.236 0.000 1.025 391 D HN 0.675 nan 8.370 nan 0.000 0.514 392 A N 3.702 126.104 122.820 -0.697 0.000 2.019 392 A HA 0.014 3.940 4.320 -0.657 0.000 0.219 392 A C 2.105 179.571 177.584 -0.197 0.000 1.164 392 A CA 1.612 53.405 52.037 -0.407 0.000 0.644 392 A CB -0.452 18.545 19.000 -0.006 0.000 0.805 392 A HN 0.622 nan 8.150 nan 0.000 0.449 393 A N -0.283 122.438 122.820 -0.165 0.000 1.877 393 A HA -0.090 3.836 4.320 -0.657 0.000 0.216 393 A C 2.343 179.876 177.584 -0.085 0.000 1.186 393 A CA 2.386 54.370 52.037 -0.088 0.000 0.620 393 A CB -1.077 17.883 19.000 -0.066 0.000 0.822 393 A HN 0.801 nan 8.150 nan 0.000 0.443 394 T N -4.435 110.049 114.554 -0.117 0.000 3.060 394 T HA 0.234 4.190 4.350 -0.657 0.000 0.249 394 T C 0.426 175.083 174.700 -0.072 0.000 1.079 394 T CA 0.922 62.975 62.100 -0.078 0.000 1.013 394 T CB -0.019 68.814 68.868 -0.058 0.000 0.975 394 T HN 0.462 nan 8.240 nan 0.000 0.518 395 D N 0.821 121.138 120.400 -0.139 0.000 2.746 395 D HA -0.150 4.096 4.640 -0.657 0.000 0.236 395 D C -0.609 175.724 176.300 0.055 0.000 1.129 395 D CA 0.451 54.440 54.000 -0.019 0.000 0.691 395 D CB -0.730 40.132 40.800 0.103 0.000 1.077 395 D HN 0.330 nan 8.370 nan 0.000 0.432 396 R N -0.281 120.174 120.500 -0.074 0.000 2.744 396 R HA 0.834 4.780 4.340 -0.657 0.000 0.279 396 R C -0.389 175.968 176.300 0.096 0.000 0.977 396 R CA -0.335 55.799 56.100 0.057 0.000 0.906 396 R CB 1.636 31.960 30.300 0.040 0.000 1.197 396 R HN 0.150 nan 8.270 nan 0.000 0.463 397 A N 2.884 125.833 122.820 0.215 0.000 2.362 397 A HA 0.386 4.313 4.320 -0.657 0.000 0.276 397 A C -0.263 177.494 177.584 0.288 0.000 1.153 397 A CA -0.190 52.003 52.037 0.260 0.000 0.813 397 A CB 0.304 19.428 19.000 0.207 0.000 1.081 397 A HN 0.493 nan 8.150 nan 0.000 0.507 398 K N 1.633 122.158 120.400 0.208 0.000 2.182 398 K HA 0.425 4.351 4.320 -0.657 0.000 0.262 398 K C -1.163 175.393 176.600 -0.074 0.000 0.957 398 K CA -0.771 55.604 56.287 0.147 0.000 0.842 398 K CB 1.899 34.445 32.500 0.077 0.000 1.099 398 K HN 0.522 nan 8.250 nan 0.000 0.438 399 L N 3.662 124.622 121.223 -0.439 0.000 2.260 399 L HA 0.218 4.165 4.340 -0.657 0.000 0.289 399 L C -0.813 175.810 176.870 -0.413 0.000 1.057 399 L CA -0.221 54.070 54.840 -0.915 0.000 0.811 399 L CB 0.283 41.316 42.059 -1.710 0.000 1.184 399 L HN 0.427 nan 8.230 nan 0.000 0.429 400 N N 6.589 125.114 118.700 -0.292 0.000 2.663 400 N HA 0.122 4.468 4.740 -0.657 0.000 0.250 400 N C -1.412 174.090 175.510 -0.012 0.000 1.129 400 N CA 0.075 53.060 53.050 -0.108 0.000 0.995 400 N CB 0.078 38.523 38.487 -0.071 0.000 1.324 400 N HN 0.612 nan 8.380 nan 0.000 0.512 401 W N 2.363 123.548 121.300 -0.192 0.000 2.883 401 W HA 0.349 4.615 4.660 -0.657 0.000 0.335 401 W C -0.763 175.727 176.519 -0.048 0.000 1.083 401 W CA -0.624 56.664 57.345 -0.094 0.000 1.233 401 W CB 1.789 31.187 29.460 -0.103 0.000 1.412 401 W HN 0.233 nan 8.180 nan 0.000 0.490 402 T N 1.752 116.000 114.554 -0.509 0.000 2.912 402 T HA 0.332 4.288 4.350 -0.657 0.000 0.288 402 T C 0.924 175.384 174.700 -0.400 0.000 1.030 402 T CA -0.703 61.218 62.100 -0.297 0.000 1.020 402 T CB 2.626 71.358 68.868 -0.228 0.000 1.056 402 T HN 0.651 nan 8.240 nan 0.000 0.480 403 R N 0.920 121.372 120.500 -0.081 0.000 2.103 403 R HA -0.166 3.780 4.340 -0.657 0.000 0.242 403 R C 1.932 178.195 176.300 -0.062 0.000 1.142 403 R CA 2.382 58.497 56.100 0.025 0.000 0.960 403 R CB -0.467 29.871 30.300 0.063 0.000 0.858 403 R HN 0.907 nan 8.270 nan 0.000 0.439 404 D N -0.291 120.033 120.400 -0.127 0.000 2.263 404 D HA -0.216 4.030 4.640 -0.657 0.000 0.208 404 D C 1.165 177.346 176.300 -0.198 0.000 0.971 404 D CA 1.016 54.942 54.000 -0.124 0.000 0.867 404 D CB -0.253 40.479 40.800 -0.114 0.000 0.929 404 D HN 0.454 nan 8.370 nan 0.000 0.492 405 Q N -0.307 119.251 119.800 -0.404 0.000 2.364 405 Q HA -0.028 3.918 4.340 -0.657 0.000 0.207 405 Q C 1.157 177.006 176.000 -0.251 0.000 0.970 405 Q CA 0.461 55.923 55.803 -0.569 0.000 0.888 405 Q CB -0.047 27.891 28.738 -1.332 0.000 0.951 405 Q HN 0.196 nan 8.270 nan 0.000 0.469 406 N N -0.087 118.610 118.700 -0.006 0.000 2.398 406 N HA 0.085 4.431 4.740 -0.657 0.000 0.188 406 N C 1.015 176.555 175.510 0.051 0.000 1.122 406 N CA 0.313 53.471 53.050 0.179 0.000 0.866 406 N CB 0.264 38.925 38.487 0.290 0.000 0.970 406 N HN 0.206 nan 8.380 nan 0.000 0.462 407 A N 1.554 124.367 122.820 -0.012 0.000 1.908 407 A HA -0.069 3.857 4.320 -0.657 0.000 0.218 407 A C -0.307 177.254 177.584 -0.039 0.000 1.181 407 A CA 1.251 53.270 52.037 -0.031 0.000 0.627 407 A CB -1.263 17.712 19.000 -0.043 0.000 0.818 407 A HN 0.186 nan 8.150 nan 0.000 0.445 408 P HA -0.085 nan 4.420 nan 0.000 0.217 408 P C 1.712 178.993 177.300 -0.031 0.000 1.150 408 P CA 1.787 64.869 63.100 -0.030 0.000 0.832 408 P CB -0.090 31.601 31.700 -0.015 0.000 0.787 409 A N -0.486 122.334 122.820 -0.000 0.000 1.877 409 A HA -0.152 3.774 4.320 -0.657 0.000 0.216 409 A C 2.343 179.892 177.584 -0.059 0.000 1.186 409 A CA 1.801 53.839 52.037 0.003 0.000 0.620 409 A CB -1.725 17.305 19.000 0.049 0.000 0.822 409 A HN 0.005 nan 8.150 nan 0.000 0.443 410 V N 1.217 121.071 119.914 -0.099 0.000 2.282 410 V HA -0.313 3.413 4.120 -0.657 0.000 0.249 410 V C 2.342 178.222 176.094 -0.357 0.000 1.057 410 V CA 2.303 64.438 62.300 -0.275 0.000 1.032 410 V CB -1.064 30.621 31.823 -0.229 0.000 0.645 410 V HN 0.567 nan 8.190 nan 0.000 0.447 411 N N 0.502 119.081 118.700 -0.201 0.000 2.120 411 N HA -0.124 4.222 4.740 -0.657 0.000 0.188 411 N C 1.865 177.293 175.510 -0.135 0.000 1.024 411 N CA 1.758 54.711 53.050 -0.161 0.000 0.852 411 N CB -0.615 37.815 38.487 -0.095 0.000 1.003 411 N HN 0.509 nan 8.380 nan 0.000 0.424 412 A N 0.913 123.669 122.820 -0.106 0.000 1.873 412 A HA 0.079 4.005 4.320 -0.657 0.000 0.215 412 A C 2.368 179.922 177.584 -0.049 0.000 1.186 412 A CA 1.905 53.894 52.037 -0.081 0.000 0.616 412 A CB -0.924 18.030 19.000 -0.077 0.000 0.823 412 A HN 0.309 nan 8.150 nan 0.000 0.442 413 A N -0.181 122.619 122.820 -0.033 0.000 1.877 413 A HA -0.196 3.730 4.320 -0.657 0.000 0.216 413 A C 2.150 179.832 177.584 0.163 0.000 1.186 413 A CA 2.099 54.205 52.037 0.115 0.000 0.620 413 A CB -0.493 18.581 19.000 0.124 0.000 0.822 413 A HN 0.551 nan 8.150 nan 0.000 0.443 414 K N -0.413 119.889 120.400 -0.163 0.000 2.057 414 K HA -0.075 3.851 4.320 -0.657 0.000 0.207 414 K C 2.125 178.819 176.600 0.157 0.000 1.049 414 K CA 1.185 57.471 56.287 -0.002 0.000 0.931 414 K CB -0.316 31.981 32.500 -0.337 0.000 0.714 414 K HN 0.375 nan 8.250 nan 0.000 0.440 415 A N 1.730 124.568 122.820 0.030 0.000 1.933 415 A HA -0.148 3.778 4.320 -0.657 0.000 0.218 415 A C 2.057 179.639 177.584 -0.003 0.000 1.175 415 A CA 1.070 53.120 52.037 0.021 0.000 0.628 415 A CB -0.609 18.375 19.000 -0.028 0.000 0.814 415 A HN 0.389 nan 8.150 nan 0.000 0.444 416 L N -1.196 119.993 121.223 -0.056 0.000 1.976 416 L HA -0.134 3.812 4.340 -0.657 0.000 0.209 416 L C 2.348 179.058 176.870 -0.267 0.000 1.071 416 L CA 2.279 56.982 54.840 -0.229 0.000 0.746 416 L CB -1.134 40.697 42.059 -0.380 0.000 0.890 416 L HN 0.431 nan 8.230 nan 0.000 0.432 417 F N 0.728 120.718 119.950 0.067 0.000 2.365 417 F HA -0.177 3.958 4.527 -0.652 0.000 0.300 417 F C 2.281 178.117 175.800 0.061 0.000 1.090 417 F CA 1.028 59.072 58.000 0.073 0.000 1.408 417 F CB -0.530 38.622 39.000 0.254 0.000 1.060 417 F HN 0.227 nan 8.300 nan 0.000 0.534 418 D N -0.043 120.514 120.400 0.262 0.000 2.144 418 D HA -0.118 4.128 4.640 -0.657 0.000 0.199 418 D C 2.275 178.597 176.300 0.038 0.000 0.984 418 D CA 1.015 55.105 54.000 0.151 0.000 0.834 418 D CB -0.246 40.664 40.800 0.183 0.000 0.955 418 D HN 0.240 nan 8.370 nan 0.000 0.465 419 R N -0.034 120.464 120.500 -0.004 0.000 2.115 419 R HA 0.070 4.016 4.340 -0.657 0.000 0.226 419 R C 2.426 178.697 176.300 -0.049 0.000 1.100 419 R CA 0.531 56.609 56.100 -0.037 0.000 0.980 419 R CB -0.066 30.193 30.300 -0.068 0.000 0.875 419 R HN 0.240 nan 8.270 nan 0.000 0.445 420 I N 0.949 121.475 120.570 -0.072 0.000 2.252 420 I HA -0.239 3.537 4.170 -0.657 0.000 0.245 420 I C 1.609 177.704 176.117 -0.037 0.000 1.102 420 I CA 0.966 62.232 61.300 -0.057 0.000 1.385 420 I CB -0.334 37.626 38.000 -0.066 0.000 1.064 420 I HN 0.149 nan 8.210 nan 0.000 0.414 421 N N 1.159 119.823 118.700 -0.061 0.000 2.120 421 N HA -0.205 4.141 4.740 -0.657 0.000 0.188 421 N C 1.781 177.269 175.510 -0.036 0.000 1.024 421 N CA 1.231 54.222 53.050 -0.098 0.000 0.852 421 N CB -0.269 38.092 38.487 -0.210 0.000 1.003 421 N HN 0.339 nan 8.380 nan 0.000 0.424 422 K N 0.686 121.077 120.400 -0.015 0.000 2.057 422 K HA 0.016 3.943 4.320 -0.657 0.000 0.207 422 K C 1.812 178.424 176.600 0.020 0.000 1.049 422 K CA 1.157 57.449 56.287 0.009 0.000 0.931 422 K CB -0.046 32.462 32.500 0.012 0.000 0.714 422 K HN 0.099 nan 8.250 nan 0.000 0.440 423 A N 1.032 123.860 122.820 0.013 0.000 2.015 423 A HA -0.086 3.841 4.320 -0.657 0.000 0.219 423 A C 1.479 179.098 177.584 0.058 0.000 1.163 423 A CA 1.345 53.397 52.037 0.026 0.000 0.646 423 A CB -0.188 18.817 19.000 0.010 0.000 0.806 423 A HN 0.371 nan 8.150 nan 0.000 0.448 424 N N -1.415 117.325 118.700 0.066 0.000 2.197 424 N HA 0.140 4.486 4.740 -0.657 0.000 0.201 424 N C 0.918 176.554 175.510 0.210 0.000 1.148 424 N CA 0.803 53.938 53.050 0.141 0.000 0.883 424 N CB 0.667 39.201 38.487 0.077 0.000 1.012 424 N HN 0.535 nan 8.380 nan 0.000 0.507 425 G N 2.120 110.993 108.800 0.122 0.000 2.221 425 G HA2 -0.277 3.289 3.960 -0.657 0.000 0.265 425 G HA3 -0.277 3.289 3.960 -0.657 0.000 0.265 425 G C 0.277 175.243 174.900 0.109 0.000 1.041 425 G CA 1.073 46.259 45.100 0.144 0.000 0.807 425 G HN 0.459 nan 8.290 nan 0.000 0.502 426 T N -1.944 112.584 114.554 -0.043 0.000 2.949 426 T HA 0.815 4.771 4.350 -0.657 0.000 0.287 426 T C 0.496 175.116 174.700 -0.133 0.000 1.034 426 T CA -0.464 61.541 62.100 -0.160 0.000 1.018 426 T CB 2.644 71.333 68.868 -0.298 0.000 1.135 426 T HN 1.276 nan 8.240 nan 0.000 0.532 427 I N -2.077 118.414 120.570 -0.131 0.000 2.957 427 I HA 0.671 4.447 4.170 -0.657 0.000 0.310 427 I C -0.933 175.077 176.117 -0.178 0.000 1.063 427 I CA -1.883 59.352 61.300 -0.109 0.000 1.033 427 I CB 1.215 39.250 38.000 0.058 0.000 1.230 427 I HN 0.541 nan 8.210 nan 0.000 0.447 428 Y N 1.826 122.088 120.300 -0.064 0.000 2.426 428 Y HA 0.281 4.435 4.550 -0.661 0.000 0.344 428 Y C 0.800 176.531 175.900 -0.282 0.000 1.256 428 Y CA -0.115 57.805 58.100 -0.300 0.000 1.451 428 Y CB 0.304 38.342 38.460 -0.704 0.000 1.342 428 Y HN 0.335 nan 8.280 nan 0.000 0.600 429 R N 1.421 121.853 120.500 -0.113 0.000 2.490 429 R HA 0.064 4.010 4.340 -0.657 0.000 0.280 429 R C -0.604 175.479 176.300 -0.362 0.000 1.077 429 R CA -0.060 55.968 56.100 -0.120 0.000 1.065 429 R CB 0.096 30.346 30.300 -0.082 0.000 1.003 429 R HN 0.829 nan 8.270 nan 0.000 0.470 430 Y N -0.272 120.003 120.300 -0.041 0.000 2.527 430 Y HA 0.050 4.207 4.550 -0.656 0.000 0.247 430 Y C 0.827 176.686 175.900 -0.067 0.000 1.138 430 Y CA -0.175 57.895 58.100 -0.049 0.000 1.228 430 Y CB 0.679 39.131 38.460 -0.013 0.000 1.252 430 Y HN 0.553 nan 8.280 nan 0.000 0.531 431 D N -0.960 119.438 120.400 -0.002 0.000 2.431 431 D HA 0.076 4.322 4.640 -0.657 0.000 0.213 431 D C 1.119 177.315 176.300 -0.173 0.000 1.130 431 D CA 0.218 54.188 54.000 -0.051 0.000 0.834 431 D CB -0.439 40.340 40.800 -0.036 0.000 0.985 431 D HN 0.312 nan 8.370 nan 0.000 0.504 432 L N -0.950 120.055 121.223 -0.365 0.000 2.418 432 L HA 0.228 4.174 4.340 -0.657 0.000 0.218 432 L C 0.626 177.161 176.870 -0.558 0.000 1.125 432 L CA 0.563 55.081 54.840 -0.537 0.000 0.835 432 L CB -0.242 41.325 42.059 -0.819 0.000 0.953 432 L HN -0.089 nan 8.230 nan 0.000 0.454 433 F N 0.268 120.189 119.950 -0.048 0.000 2.881 433 F HA 0.550 4.691 4.527 -0.643 0.000 0.343 433 F C 0.984 176.729 175.800 -0.092 0.000 1.233 433 F CA -0.417 57.542 58.000 -0.069 0.000 1.262 433 F CB 0.641 39.611 39.000 -0.050 0.000 0.980 433 F HN 0.034 nan 8.300 nan 0.000 0.506 434 G N 0.190 108.971 108.800 -0.032 0.000 2.525 434 G HA2 0.073 3.639 3.960 -0.657 0.000 0.685 434 G HA3 0.073 3.639 3.960 -0.657 0.000 0.685 434 G C 0.613 175.492 174.900 -0.035 0.000 1.290 434 G CA -0.297 44.749 45.100 -0.091 0.000 0.915 434 G HN 0.324 nan 8.290 nan 0.000 0.548 435 T N -1.151 113.380 114.554 -0.038 0.000 2.737 435 T HA 0.518 4.474 4.350 -0.657 0.000 0.265 435 T C 1.876 176.583 174.700 0.012 0.000 1.038 435 T CA 3.421 65.514 62.100 -0.012 0.000 1.144 435 T CB -0.847 68.015 68.868 -0.011 0.000 0.866 435 T HN 2.249 nan 8.240 nan 0.000 0.434 436 Q N 0.858 120.672 119.800 0.023 0.000 2.330 436 Q HA 0.537 4.483 4.340 -0.657 0.000 0.279 436 Q C 0.142 176.184 176.000 0.071 0.000 1.024 436 Q CA -0.515 55.312 55.803 0.041 0.000 0.900 436 Q CB -0.533 28.233 28.738 0.045 0.000 1.221 436 Q HN 0.466 nan 8.270 nan 0.000 0.396 437 L N 2.699 123.965 121.223 0.071 0.000 2.700 437 L HA 0.163 4.109 4.340 -0.657 0.000 0.272 437 L C 0.587 177.570 176.870 0.188 0.000 1.176 437 L CA 1.376 56.290 54.840 0.124 0.000 0.961 437 L CB -0.334 41.745 42.059 0.033 0.000 1.249 437 L HN 0.851 nan 8.230 nan 0.000 0.487 438 K N 2.501 123.043 120.400 0.235 0.000 2.695 438 K HA 0.509 4.435 4.320 -0.657 0.000 0.255 438 K C 0.216 176.891 176.600 0.126 0.000 1.016 438 K CA -0.136 56.275 56.287 0.208 0.000 0.928 438 K CB 1.214 33.834 32.500 0.200 0.000 1.235 438 K HN 0.493 nan 8.250 nan 0.000 0.467 439 A N 4.280 127.015 122.820 -0.141 0.000 2.123 439 A HA 0.218 4.144 4.320 -0.657 0.000 0.214 439 A C -0.274 176.869 177.584 -0.735 0.000 1.152 439 A CA 0.598 52.214 52.037 -0.702 0.000 0.728 439 A CB -0.056 18.044 19.000 -1.500 0.000 0.814 439 A HN 0.458 nan 8.150 nan 0.000 0.464 440 F N -0.362 119.581 119.950 -0.012 0.000 2.499 440 F HA 0.610 4.747 4.527 -0.651 0.000 0.333 440 F C 0.378 176.062 175.800 -0.194 0.000 1.138 440 F CA -1.222 56.731 58.000 -0.079 0.000 0.945 440 F CB 1.436 40.386 39.000 -0.083 0.000 1.181 440 F HN 0.069 nan 8.300 nan 0.000 0.435 441 A N 2.189 124.757 122.820 -0.419 0.000 2.396 441 A HA 0.427 4.353 4.320 -0.657 0.000 0.279 441 A C 0.312 177.907 177.584 0.018 0.000 1.165 441 A CA -0.273 51.445 52.037 -0.532 0.000 0.824 441 A CB -0.085 18.123 19.000 -1.320 0.000 1.100 441 A HN 0.748 nan 8.150 nan 0.000 0.516 442 D N 1.535 121.988 120.400 0.088 0.000 2.563 442 D HA 0.040 4.286 4.640 -0.657 0.000 0.237 442 D C -0.234 176.161 176.300 0.159 0.000 1.282 442 D CA 0.231 54.307 54.000 0.128 0.000 0.816 442 D CB 0.376 41.247 40.800 0.118 0.000 1.066 442 D HN 0.457 nan 8.370 nan 0.000 0.501 443 D N 0.199 120.716 120.400 0.195 0.000 2.692 443 D HA 0.120 4.366 4.640 -0.657 0.000 0.290 443 D C -0.167 176.280 176.300 0.245 0.000 1.455 443 D CA -0.599 53.525 54.000 0.206 0.000 0.796 443 D CB -0.861 40.054 40.800 0.192 0.000 1.131 443 D HN 0.224 nan 8.370 nan 0.000 0.467 444 F N 0.666 120.653 119.950 0.060 0.000 2.611 444 F HA 0.819 4.956 4.527 -0.649 0.000 0.324 444 F C -0.806 175.029 175.800 0.058 0.000 1.061 444 F CA -1.571 56.503 58.000 0.124 0.000 0.954 444 F CB 1.551 40.611 39.000 0.100 0.000 1.301 444 F HN 0.132 nan 8.300 nan 0.000 0.482 445 C N 0.435 119.651 119.300 -0.141 0.000 3.285 445 C HA 0.577 4.643 4.460 -0.657 0.000 0.325 445 C C -0.729 174.440 174.990 0.299 0.000 1.304 445 C CA -0.642 58.117 59.018 -0.431 0.000 1.319 445 C CB 0.798 28.358 27.740 -0.300 0.000 1.640 445 C HN 0.973 nan 8.230 nan 0.000 0.477 446 Y N -0.812 119.500 120.300 0.020 0.000 2.462 446 Y HA 0.312 4.466 4.550 -0.660 0.000 0.253 446 Y C 1.279 177.322 175.900 0.239 0.000 1.095 446 Y CA 0.322 58.509 58.100 0.146 0.000 1.283 446 Y CB -0.307 38.193 38.460 0.068 0.000 1.138 446 Y HN 0.795 nan 8.280 nan 0.000 0.522 447 H N 1.317 120.508 119.070 0.200 0.000 2.317 447 H HA 0.235 4.397 4.556 -0.657 0.000 0.231 447 H C -2.507 172.822 175.328 0.001 0.000 1.442 447 H CA -2.297 53.803 56.048 0.087 0.000 1.336 447 H CB 0.514 30.284 29.762 0.013 0.000 1.533 447 H HN -0.071 nan 8.280 nan 0.000 0.522 448 P HA 0.060 nan 4.420 nan 0.000 0.271 448 P C -0.431 176.898 177.300 0.048 0.000 1.220 448 P CA 0.127 63.347 63.100 0.200 0.000 0.768 448 P CB 1.567 33.606 31.700 0.565 0.000 0.848 449 L N 3.002 124.051 121.223 -0.289 0.000 2.436 449 L HA 0.742 4.688 4.340 -0.657 0.000 0.268 449 L C 0.672 177.420 176.870 -0.203 0.000 0.974 449 L CA -0.372 54.360 54.840 -0.181 0.000 0.826 449 L CB 2.034 43.980 42.059 -0.189 0.000 1.291 449 L HN 0.735 nan 8.230 nan 0.000 0.406 450 G N 1.301 110.122 108.800 0.035 0.000 2.549 450 G HA2 0.328 3.894 3.960 -0.657 0.000 0.404 450 G HA3 0.328 3.894 3.960 -0.657 0.000 0.404 450 G C 0.377 175.479 174.900 0.338 0.000 1.292 450 G CA -0.280 44.896 45.100 0.128 0.000 0.935 450 G HN 1.384 nan 8.290 nan 0.000 0.512 451 G N -2.923 106.069 108.800 0.321 0.000 2.313 451 G HA2 -0.001 3.565 3.960 -0.657 0.000 0.215 451 G HA3 -0.001 3.565 3.960 -0.657 0.000 0.215 451 G C 0.713 175.699 174.900 0.144 0.000 1.023 451 G CA 1.088 46.373 45.100 0.309 0.000 0.626 451 G HN 2.161 nan 8.290 nan 0.000 0.503 452 C N 2.207 121.562 119.300 0.092 0.000 3.465 452 C HA 0.639 4.705 4.460 -0.657 0.000 0.193 452 C C 0.734 175.745 174.990 0.036 0.000 1.515 452 C CA -0.838 58.208 59.018 0.047 0.000 1.340 452 C CB -0.126 27.623 27.740 0.016 0.000 1.928 452 C HN 0.455 nan 8.230 nan 0.000 0.510 453 V N 2.191 122.129 119.914 0.040 0.000 2.637 453 V HA 0.051 3.777 4.120 -0.657 0.000 0.296 453 V C 0.578 176.668 176.094 -0.006 0.000 1.046 453 V CA -0.069 62.239 62.300 0.013 0.000 1.066 453 V CB 0.864 32.696 31.823 0.013 0.000 0.968 453 V HN 0.595 nan 8.190 nan 0.000 0.483 454 L N 5.467 126.673 121.223 -0.029 0.000 2.628 454 L HA 0.402 4.348 4.340 -0.657 0.000 0.274 454 L C 1.227 178.065 176.870 -0.052 0.000 1.209 454 L CA 1.912 56.724 54.840 -0.047 0.000 0.930 454 L CB -0.105 41.905 42.059 -0.081 0.000 1.183 454 L HN 1.002 nan 8.230 nan 0.000 0.492 455 G N 2.935 111.713 108.800 -0.037 0.000 2.176 455 G HA2 -0.302 3.264 3.960 -0.657 0.000 0.253 455 G HA3 -0.302 3.264 3.960 -0.657 0.000 0.253 455 G C 0.993 175.885 174.900 -0.013 0.000 0.979 455 G CA 0.617 45.698 45.100 -0.031 0.000 0.641 455 G HN 0.653 nan 8.290 nan 0.000 0.530 456 K N -0.724 119.673 120.400 -0.004 0.000 2.410 456 K HA 0.576 4.502 4.320 -0.657 0.000 0.204 456 K C 2.629 179.239 176.600 0.018 0.000 1.268 456 K CA 0.509 56.800 56.287 0.007 0.000 0.896 456 K CB -0.030 32.476 32.500 0.009 0.000 1.401 456 K HN 0.386 nan 8.250 nan 0.000 0.479 457 A N 1.675 124.508 122.820 0.022 0.000 2.119 457 A HA 0.008 3.935 4.320 -0.657 0.000 0.216 457 A C 1.160 178.759 177.584 0.025 0.000 1.152 457 A CA 1.310 53.363 52.037 0.027 0.000 0.708 457 A CB -0.319 18.698 19.000 0.029 0.000 0.805 457 A HN 0.453 nan 8.150 nan 0.000 0.460 458 T N -2.597 111.969 114.554 0.021 0.000 2.864 458 T HA 0.502 4.458 4.350 -0.657 0.000 0.289 458 T C -0.468 174.250 174.700 0.030 0.000 1.082 458 T CA -0.249 61.868 62.100 0.029 0.000 1.009 458 T CB 1.537 70.424 68.868 0.032 0.000 1.234 458 T HN 0.224 nan 8.240 nan 0.000 0.526 459 D N -0.012 120.420 120.400 0.053 0.000 2.356 459 D HA 0.125 4.371 4.640 -0.657 0.000 0.258 459 D C 0.298 176.609 176.300 0.019 0.000 1.279 459 D CA -0.383 53.654 54.000 0.061 0.000 1.016 459 D CB -0.068 40.803 40.800 0.118 0.000 1.107 459 D HN 0.496 nan 8.370 nan 0.000 0.544 460 D N -1.637 118.749 120.400 -0.024 0.000 2.363 460 D HA -0.057 4.189 4.640 -0.657 0.000 0.226 460 D C 0.093 176.061 176.300 -0.554 0.000 1.020 460 D CA 0.582 54.428 54.000 -0.257 0.000 0.892 460 D CB -0.189 40.419 40.800 -0.320 0.000 0.900 460 D HN 0.403 nan 8.370 nan 0.000 0.531 461 Y N -0.959 119.352 120.300 0.019 0.000 2.641 461 Y HA 0.328 4.484 4.550 -0.656 0.000 0.248 461 Y C 1.680 177.599 175.900 0.031 0.000 1.170 461 Y CA -0.261 57.843 58.100 0.007 0.000 1.201 461 Y CB 1.036 39.498 38.460 0.004 0.000 1.232 461 Y HN -0.022 nan 8.280 nan 0.000 0.537 462 G N 1.068 109.938 108.800 0.116 0.000 2.143 462 G HA2 -0.285 3.281 3.960 -0.657 0.000 0.249 462 G HA3 -0.285 3.281 3.960 -0.657 0.000 0.249 462 G C 0.171 175.171 174.900 0.166 0.000 0.981 462 G CA -0.494 44.674 45.100 0.113 0.000 0.665 462 G HN 0.301 nan 8.290 nan 0.000 0.528 463 R N 0.221 120.844 120.500 0.205 0.000 2.370 463 R HA 0.379 4.325 4.340 -0.657 0.000 0.309 463 R C 0.559 176.886 176.300 0.045 0.000 1.059 463 R CA -0.423 55.770 56.100 0.154 0.000 0.981 463 R CB 1.253 31.662 30.300 0.181 0.000 0.972 463 R HN 0.100 nan 8.270 nan 0.000 0.437 464 V N 3.411 123.305 119.914 -0.032 0.000 2.529 464 V HA 0.031 3.757 4.120 -0.657 0.000 0.292 464 V C 0.894 177.019 176.094 0.051 0.000 1.028 464 V CA -0.152 62.146 62.300 -0.002 0.000 1.074 464 V CB 0.873 32.664 31.823 -0.054 0.000 0.958 464 V HN 0.872 nan 8.190 nan 0.000 0.481 465 A N 4.472 127.324 122.820 0.054 0.000 2.511 465 A HA 0.530 4.456 4.320 -0.657 0.000 0.242 465 A C 1.488 179.104 177.584 0.054 0.000 1.069 465 A CA 0.562 52.624 52.037 0.042 0.000 0.763 465 A CB -0.209 18.808 19.000 0.028 0.000 1.001 465 A HN 2.065 nan 8.150 nan 0.000 0.498 466 G N 0.415 109.188 108.800 -0.045 0.000 2.213 466 G HA2 -0.208 3.358 3.960 -0.657 0.000 0.226 466 G HA3 -0.208 3.358 3.960 -0.657 0.000 0.226 466 G C -0.096 174.459 174.900 -0.574 0.000 0.992 466 G CA 0.513 45.465 45.100 -0.245 0.000 0.632 466 G HN 0.956 nan 8.290 nan 0.000 0.511 467 Y N -0.070 120.221 120.300 -0.014 0.000 2.524 467 Y HA 0.680 4.836 4.550 -0.656 0.000 0.347 467 Y C 0.235 176.120 175.900 -0.026 0.000 1.005 467 Y CA -0.966 57.138 58.100 0.005 0.000 1.025 467 Y CB 1.800 40.273 38.460 0.021 0.000 1.275 467 Y HN 0.071 nan 8.280 nan 0.000 0.460 468 K N 1.324 121.816 120.400 0.154 0.000 2.130 468 K HA 0.328 4.254 4.320 -0.657 0.000 0.268 468 K C -0.288 176.353 176.600 0.070 0.000 0.983 468 K CA -0.222 56.111 56.287 0.076 0.000 0.893 468 K CB 0.398 32.941 32.500 0.072 0.000 1.066 468 K HN 0.890 nan 8.250 nan 0.000 0.450 469 N N 0.851 119.485 118.700 -0.109 0.000 2.741 469 N HA -0.248 4.098 4.740 -0.657 0.000 0.250 469 N C -1.358 173.750 175.510 -0.670 0.000 1.115 469 N CA 0.187 53.119 53.050 -0.197 0.000 0.724 469 N CB -0.741 37.888 38.487 0.236 0.000 1.090 469 N HN 0.189 nan 8.380 nan 0.000 0.558 470 L N 1.164 121.757 121.223 -1.051 0.000 2.372 470 L HA 0.540 4.486 4.340 -0.657 0.000 0.274 470 L C -1.322 174.949 176.870 -0.999 0.000 0.988 470 L CA -0.799 53.454 54.840 -0.978 0.000 0.833 470 L CB 0.839 42.486 42.059 -0.686 0.000 1.236 470 L HN 0.054 nan 8.230 nan 0.000 0.410 471 Y N 3.477 123.543 120.300 -0.390 0.000 2.477 471 Y HA 0.732 4.888 4.550 -0.657 0.000 0.347 471 Y C -0.423 175.375 175.900 -0.169 0.000 0.981 471 Y CA -1.201 56.721 58.100 -0.297 0.000 1.033 471 Y CB 2.265 40.409 38.460 -0.526 0.000 1.245 471 Y HN 0.231 nan 8.280 nan 0.000 0.455 472 V N 1.323 121.284 119.914 0.077 0.000 2.513 472 V HA 0.371 4.097 4.120 -0.657 0.000 0.299 472 V C 0.332 176.482 176.094 0.093 0.000 1.035 472 V CA -0.254 62.080 62.300 0.058 0.000 0.889 472 V CB 1.758 33.589 31.823 0.014 0.000 0.988 472 V HN 1.018 nan 8.190 nan 0.000 0.440 473 T N -1.648 112.957 114.554 0.085 0.000 3.058 473 T HA 0.223 4.179 4.350 -0.657 0.000 0.278 473 T C 0.092 174.810 174.700 0.030 0.000 0.974 473 T CA 0.207 62.352 62.100 0.074 0.000 0.893 473 T CB 0.115 69.044 68.868 0.102 0.000 1.138 473 T HN 0.708 nan 8.240 nan 0.000 0.529 474 D N 0.329 120.748 120.400 0.031 0.000 2.723 474 D HA 0.487 4.734 4.640 -0.657 0.000 0.247 474 D C 1.731 178.050 176.300 0.032 0.000 1.134 474 D CA -0.147 53.873 54.000 0.034 0.000 1.099 474 D CB 0.035 40.860 40.800 0.041 0.000 1.287 474 D HN -0.034 nan 8.370 nan 0.000 0.634 475 G N -0.830 107.999 108.800 0.049 0.000 2.498 475 G HA2 -0.196 3.370 3.960 -0.657 0.000 0.219 475 G HA3 -0.196 3.370 3.960 -0.657 0.000 0.219 475 G C 1.214 176.146 174.900 0.053 0.000 1.119 475 G CA 0.987 46.114 45.100 0.045 0.000 0.766 475 G HN 0.372 nan 8.290 nan 0.000 0.552 476 S N 0.512 116.249 115.700 0.061 0.000 2.402 476 S HA -0.084 3.992 4.470 -0.657 0.000 0.233 476 S C 2.157 176.785 174.600 0.047 0.000 1.030 476 S CA 0.812 59.054 58.200 0.069 0.000 1.003 476 S CB -0.196 63.026 63.200 0.037 0.000 0.813 476 S HN 0.388 nan 8.310 nan 0.000 0.477 477 L N 0.511 121.747 121.223 0.021 0.000 2.217 477 L HA 0.103 4.049 4.340 -0.657 0.000 0.211 477 L C 0.636 177.492 176.870 -0.023 0.000 1.107 477 L CA 0.559 55.398 54.840 -0.001 0.000 0.783 477 L CB -0.360 41.693 42.059 -0.011 0.000 0.919 477 L HN 0.240 nan 8.230 nan 0.000 0.442 478 I N 1.497 122.051 120.570 -0.026 0.000 2.428 478 I HA 0.123 3.899 4.170 -0.657 0.000 0.289 478 I C -1.737 174.342 176.117 -0.064 0.000 1.019 478 I CA -1.790 59.474 61.300 -0.060 0.000 1.351 478 I CB 1.187 39.153 38.000 -0.058 0.000 1.412 478 I HN -0.197 nan 8.210 nan 0.000 0.513 479 P HA 0.091 nan 4.420 nan 0.000 0.226 479 P C 0.758 178.013 177.300 -0.075 0.000 1.783 479 P CA 0.324 63.381 63.100 -0.071 0.000 0.980 479 P CB 0.170 31.815 31.700 -0.091 0.000 1.967 480 G N 0.106 108.839 108.800 -0.112 0.000 2.245 480 G HA2 -0.245 3.321 3.960 -0.657 0.000 0.264 480 G HA3 -0.245 3.321 3.960 -0.657 0.000 0.264 480 G C 0.126 174.939 174.900 -0.144 0.000 0.985 480 G CA 0.346 45.336 45.100 -0.183 0.000 0.625 480 G HN 0.814 nan 8.290 nan 0.000 0.536 481 S N -1.769 113.901 115.700 -0.051 0.000 2.548 481 S HA 0.569 4.645 4.470 -0.657 0.000 0.278 481 S C 0.337 174.990 174.600 0.089 0.000 1.150 481 S CA 0.609 58.842 58.200 0.054 0.000 0.907 481 S CB 1.642 64.967 63.200 0.209 0.000 1.108 481 S HN 1.677 nan 8.310 nan 0.000 0.459 482 V N 1.244 121.200 119.914 0.070 0.000 3.451 482 V HA 0.655 4.381 4.120 -0.657 0.000 0.288 482 V C 1.387 177.430 176.094 -0.086 0.000 1.502 482 V CA 0.647 62.991 62.300 0.074 0.000 1.026 482 V CB -0.113 31.696 31.823 -0.023 0.000 0.840 482 V HN 2.021 nan 8.190 nan 0.000 0.437 483 G N 0.963 109.530 108.800 -0.387 0.000 2.179 483 G HA2 -0.157 3.409 3.960 -0.657 0.000 0.260 483 G HA3 -0.157 3.409 3.960 -0.657 0.000 0.260 483 G C 0.282 174.590 174.900 -0.987 0.000 0.977 483 G CA 0.851 45.160 45.100 -1.319 0.000 0.641 483 G HN 1.932 nan 8.290 nan 0.000 0.533 484 V N -3.925 115.593 119.914 -0.660 0.000 3.202 484 V HA 0.741 4.467 4.120 -0.657 0.000 0.306 484 V C 0.142 175.883 176.094 -0.588 0.000 1.283 484 V CA -1.343 60.470 62.300 -0.811 0.000 1.065 484 V CB 1.023 32.338 31.823 -0.846 0.000 1.079 484 V HN 0.191 nan 8.190 nan 0.000 0.448 485 N N 2.768 121.060 118.700 -0.679 0.000 2.292 485 N HA 0.184 4.530 4.740 -0.657 0.000 0.258 485 N C -1.803 173.344 175.510 -0.604 0.000 1.261 485 N CA 0.090 52.760 53.050 -0.634 0.000 0.845 485 N CB 0.730 38.894 38.487 -0.538 0.000 1.064 485 N HN 0.713 nan 8.380 nan 0.000 0.471 486 P HA -0.049 nan 4.420 nan 0.000 0.245 486 P C 0.848 177.975 177.300 -0.288 0.000 1.203 486 P CA 0.480 63.366 63.100 -0.358 0.000 0.792 486 P CB 0.079 31.617 31.700 -0.269 0.000 0.997 487 F N 0.037 119.748 119.950 -0.399 0.000 2.234 487 F HA 0.030 4.162 4.527 -0.658 0.000 0.299 487 F C 2.132 177.683 175.800 -0.415 0.000 1.087 487 F CA 0.697 58.330 58.000 -0.613 0.000 1.340 487 F CB -2.155 36.117 39.000 -1.215 0.000 1.031 487 F HN -0.185 nan 8.300 nan 0.000 0.500 488 V N 0.854 120.607 119.914 -0.268 0.000 2.407 488 V HA -0.237 3.489 4.120 -0.657 0.000 0.248 488 V C 2.298 178.461 176.094 0.115 0.000 1.055 488 V CA 3.077 65.385 62.300 0.014 0.000 1.049 488 V CB -1.358 30.438 31.823 -0.045 0.000 0.662 488 V HN 0.474 nan 8.190 nan 0.000 0.455 489 T N 0.341 114.958 114.554 0.105 0.000 2.777 489 T HA -0.081 3.875 4.350 -0.657 0.000 0.266 489 T C 1.941 176.613 174.700 -0.046 0.000 1.040 489 T CA 1.773 63.942 62.100 0.114 0.000 1.141 489 T CB -0.285 68.686 68.868 0.171 0.000 0.868 489 T HN 0.620 nan 8.240 nan 0.000 0.444 490 I N 1.290 121.831 120.570 -0.049 0.000 2.208 490 I HA -0.209 3.567 4.170 -0.657 0.000 0.245 490 I C 2.706 178.784 176.117 -0.065 0.000 1.097 490 I CA 1.200 62.471 61.300 -0.050 0.000 1.363 490 I CB -0.778 37.202 38.000 -0.034 0.000 1.051 490 I HN 0.258 nan 8.210 nan 0.000 0.413 491 T N 0.755 115.280 114.554 -0.048 0.000 2.708 491 T HA -0.158 3.798 4.350 -0.657 0.000 0.266 491 T C 2.077 176.703 174.700 -0.124 0.000 1.037 491 T CA 1.537 63.608 62.100 -0.049 0.000 1.146 491 T CB -0.369 68.547 68.868 0.080 0.000 0.865 491 T HN 0.484 nan 8.240 nan 0.000 0.435 492 A N 1.181 123.873 122.820 -0.213 0.000 1.898 492 A HA 0.015 3.942 4.320 -0.657 0.000 0.216 492 A C 2.245 179.601 177.584 -0.380 0.000 1.181 492 A CA 1.199 53.003 52.037 -0.389 0.000 0.620 492 A CB -0.794 17.589 19.000 -1.029 0.000 0.819 492 A HN 0.394 nan 8.150 nan 0.000 0.442 493 L N -0.267 120.764 121.223 -0.319 0.000 2.083 493 L HA -0.036 3.910 4.340 -0.657 0.000 0.209 493 L C 2.600 179.346 176.870 -0.207 0.000 1.083 493 L CA 2.073 56.778 54.840 -0.225 0.000 0.752 493 L CB -0.705 41.291 42.059 -0.105 0.000 0.899 493 L HN 0.333 nan 8.230 nan 0.000 0.433 494 A N -1.061 121.656 122.820 -0.171 0.000 1.930 494 A HA -0.138 3.788 4.320 -0.657 0.000 0.217 494 A C 2.142 179.611 177.584 -0.193 0.000 1.175 494 A CA 1.387 53.336 52.037 -0.148 0.000 0.627 494 A CB -0.480 18.441 19.000 -0.132 0.000 0.815 494 A HN 0.506 nan 8.150 nan 0.000 0.443 495 E N -0.244 119.823 120.200 -0.220 0.000 2.051 495 E HA -0.225 3.731 4.350 -0.657 0.000 0.192 495 E C 2.211 178.516 176.600 -0.491 0.000 0.991 495 E CA 1.369 57.642 56.400 -0.212 0.000 0.799 495 E CB -0.368 29.309 29.700 -0.039 0.000 0.748 495 E HN 0.707 nan 8.360 nan 0.000 0.449 496 R N 0.838 120.798 120.500 -0.901 0.000 2.083 496 R HA -0.143 3.803 4.340 -0.657 0.000 0.237 496 R C 1.890 177.970 176.300 -0.367 0.000 1.137 496 R CA 1.685 57.086 56.100 -1.166 0.000 0.951 496 R CB -0.034 29.749 30.300 -0.863 0.000 0.851 496 R HN 0.063 nan 8.270 nan 0.000 0.434 497 N N 0.255 118.844 118.700 -0.185 0.000 2.106 497 N HA -0.145 4.201 4.740 -0.657 0.000 0.188 497 N C 1.691 177.172 175.510 -0.049 0.000 1.029 497 N CA 1.277 54.339 53.050 0.019 0.000 0.848 497 N CB -0.580 37.921 38.487 0.024 0.000 1.007 497 N HN 0.097 nan 8.380 nan 0.000 0.423 498 V N 1.503 121.354 119.914 -0.104 0.000 2.515 498 V HA -0.176 3.550 4.120 -0.657 0.000 0.250 498 V C 2.261 178.278 176.094 -0.129 0.000 1.058 498 V CA 1.722 63.950 62.300 -0.121 0.000 1.064 498 V CB -0.284 31.442 31.823 -0.163 0.000 0.675 498 V HN 0.311 nan 8.190 nan 0.000 0.461 499 E N -0.013 120.118 120.200 -0.115 0.000 2.058 499 E HA -0.323 3.633 4.350 -0.657 0.000 0.194 499 E C 2.347 178.892 176.600 -0.093 0.000 0.997 499 E CA 1.783 58.141 56.400 -0.069 0.000 0.801 499 E CB -0.211 29.494 29.700 0.009 0.000 0.746 499 E HN 0.465 nan 8.360 nan 0.000 0.450 500 R N 0.713 121.134 120.500 -0.131 0.000 2.075 500 R HA -0.046 3.900 4.340 -0.657 0.000 0.232 500 R C 2.188 178.355 176.300 -0.221 0.000 1.126 500 R CA 1.508 57.471 56.100 -0.228 0.000 0.963 500 R CB -0.669 29.327 30.300 -0.507 0.000 0.858 500 R HN 0.317 nan 8.270 nan 0.000 0.435 501 I N 0.013 120.462 120.570 -0.202 0.000 2.163 501 I HA -0.293 3.483 4.170 -0.657 0.000 0.243 501 I C 2.127 178.139 176.117 -0.174 0.000 1.085 501 I CA 1.467 62.640 61.300 -0.212 0.000 1.347 501 I CB -0.240 37.538 38.000 -0.369 0.000 1.044 501 I HN 0.154 nan 8.210 nan 0.000 0.408 502 I N 0.413 120.887 120.570 -0.161 0.000 2.226 502 I HA -0.297 3.479 4.170 -0.657 0.000 0.245 502 I C 2.502 178.560 176.117 -0.099 0.000 1.100 502 I CA 1.467 62.683 61.300 -0.141 0.000 1.374 502 I CB -0.369 37.553 38.000 -0.131 0.000 1.057 502 I HN 0.156 nan 8.210 nan 0.000 0.413 503 K N 0.024 120.372 120.400 -0.088 0.000 2.057 503 K HA -0.240 3.686 4.320 -0.657 0.000 0.207 503 K C 2.152 178.720 176.600 -0.053 0.000 1.049 503 K CA 1.394 57.644 56.287 -0.062 0.000 0.931 503 K CB -0.077 32.386 32.500 -0.062 0.000 0.714 503 K HN 0.128 nan 8.250 nan 0.000 0.440 504 Q N 0.241 119.999 119.800 -0.069 0.000 2.391 504 Q HA -0.036 3.911 4.340 -0.657 0.000 0.211 504 Q C 0.380 176.380 176.000 -0.001 0.000 0.908 504 Q CA 1.264 57.040 55.803 -0.044 0.000 0.920 504 Q CB 0.670 29.362 28.738 -0.077 0.000 1.056 504 Q HN 0.179 nan 8.270 nan 0.000 0.523 505 D N -1.744 118.658 120.400 0.003 0.000 2.469 505 D HA 0.158 4.404 4.640 -0.657 0.000 0.240 505 D C -0.069 176.280 176.300 0.083 0.000 1.087 505 D CA 0.160 54.207 54.000 0.078 0.000 0.876 505 D CB 0.962 41.853 40.800 0.151 0.000 1.160 505 D HN -0.005 nan 8.370 nan 0.000 0.497 506 V N 0.000 119.894 119.914 -0.033 0.000 2.409 506 V HA 0.000 3.726 4.120 -0.657 0.000 0.244 506 V CA 0.000 62.231 62.300 -0.115 0.000 1.235 506 V CB 0.000 31.615 31.823 -0.347 0.000 1.184 506 V HN 0.000 nan 8.190 nan 0.000 0.556