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 3mx5_1_C DATA FIRST_RESID 8 DATA SEQUENCE KSFLWTQSLR RELSGYCSNI KLQVVKDAQA LLHGLDFSEV SNVQRLMRKE DATA SEQUENCE RRDDNDLKRL RDLNQAVNNL VELKSTQQKS ILRVGTLTSD DLLILAADLE DATA SEQUENCE KLKSKVIRTE RPLSAGVYMG NLSSQQLDQR RALLNMIGMX XXXXXXXXXX DATA SEQUENCE DGVVRVWDVK NAELLNNQFG TMPSLTLACL TKQGQVDLND AVQALTDLGL DATA SEQUENCE IYTAKYPNTS DLDRLTQSHP ILNMIDTKKS SLNISGYNFS LGAAVKAGAC DATA SEQUENCE MLDGGNMLET IKVSPQTMDG ILKSILKVKK ALGMFISDTP GERNPYENIL DATA SEQUENCE YKICLSGDGW PYIASRTSIT GRAWENTVVD LXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXGLTY SQLMTLKDAM LQLDPNAKTW MDIEGRPEDP VEIALYQPSS DATA SEQUENCE GCYIHFFREP TDLKQFKQDA KYSHGIDVTD LFATQPGLTS AVIDALPRNM DATA SEQUENCE VITCQGSDDI RKLLESQGRK DIKLIDIALS KTDSRKYENA VWDQYKDLCH DATA SEQUENCE MHTGVVVEKK XXXXKEEITP HCALMDCIMF DAAVSGGLXX SVLRAVLPRD DATA SEQUENCE MVFR 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 K HA 0.000 nan 4.320 nan 0.000 0.191 8 K C 0.000 176.192 176.600 -0.680 0.000 0.988 8 K CA 0.000 56.083 56.287 -0.340 0.000 0.838 8 K CB 0.000 32.267 32.500 -0.388 0.000 1.064 9 S N 0.625 116.029 115.700 -0.495 0.000 2.338 9 S HA -0.029 4.441 4.470 0.000 0.000 0.218 9 S C 1.678 176.212 174.600 -0.109 0.000 1.032 9 S CA 1.492 59.432 58.200 -0.432 0.000 0.999 9 S CB -0.392 62.652 63.200 -0.259 0.000 0.905 9 S HN 0.351 nan 8.310 nan 0.000 0.439 10 F N 2.003 121.905 119.950 -0.081 0.000 2.216 10 F HA -0.014 4.513 4.527 0.000 0.000 0.300 10 F C 1.823 177.666 175.800 0.071 0.000 1.085 10 F CA 1.028 59.054 58.000 0.043 0.000 1.326 10 F CB -0.432 38.616 39.000 0.080 0.000 1.027 10 F HN 0.273 nan 8.300 nan 0.000 0.497 11 L N -0.079 121.220 121.223 0.126 0.000 1.990 11 L HA -0.241 4.099 4.340 0.000 0.000 0.213 11 L C 1.964 178.938 176.870 0.174 0.000 1.072 11 L CA 2.111 57.031 54.840 0.134 0.000 0.755 11 L CB -1.377 40.806 42.059 0.207 0.000 0.889 11 L HN 0.213 nan 8.230 nan 0.000 0.432 12 W N 0.160 121.425 121.300 -0.059 0.000 2.333 12 W HA -0.130 4.530 4.660 0.000 0.000 0.316 12 W C 2.717 179.173 176.519 -0.106 0.000 1.215 12 W CA 1.743 59.049 57.345 -0.065 0.000 1.278 12 W CB -1.925 27.510 29.460 -0.041 0.000 1.154 12 W HN 0.129 nan 8.180 nan 0.000 0.486 13 T N 0.557 115.153 114.554 0.071 0.000 2.649 13 T HA -0.300 4.050 4.350 0.000 0.000 0.268 13 T C 1.746 176.308 174.700 -0.230 0.000 1.036 13 T CA 2.186 64.220 62.100 -0.111 0.000 1.157 13 T CB -0.460 68.261 68.868 -0.246 0.000 0.861 13 T HN 0.262 nan 8.240 nan 0.000 0.445 14 Q N 0.104 119.696 119.800 -0.348 0.000 2.172 14 Q HA 0.005 4.345 4.340 0.000 0.000 0.200 14 Q C 2.750 178.685 176.000 -0.108 0.000 0.964 14 Q CA 0.909 56.549 55.803 -0.272 0.000 0.855 14 Q CB -0.113 28.453 28.738 -0.286 0.000 0.918 14 Q HN 0.451 nan 8.270 nan 0.000 0.444 15 S N 1.081 116.751 115.700 -0.050 0.000 2.368 15 S HA -0.080 4.391 4.470 0.000 0.000 0.224 15 S C 1.999 176.585 174.600 -0.024 0.000 1.029 15 S CA 0.815 59.001 58.200 -0.024 0.000 0.988 15 S CB -0.135 63.055 63.200 -0.016 0.000 0.838 15 S HN 0.275 nan 8.310 nan 0.000 0.462 16 L N 0.835 122.050 121.223 -0.014 0.000 2.093 16 L HA -0.073 4.267 4.340 0.000 0.000 0.208 16 L C 2.707 179.576 176.870 -0.001 0.000 1.085 16 L CA 1.112 55.958 54.840 0.009 0.000 0.755 16 L CB -0.405 41.683 42.059 0.049 0.000 0.904 16 L HN 0.204 nan 8.230 nan 0.000 0.435 17 R N -0.182 120.291 120.500 -0.045 0.000 2.096 17 R HA -0.185 4.156 4.340 0.000 0.000 0.240 17 R C 2.496 178.781 176.300 -0.025 0.000 1.139 17 R CA 1.691 57.757 56.100 -0.057 0.000 0.952 17 R CB -0.224 30.006 30.300 -0.116 0.000 0.854 17 R HN 0.353 nan 8.270 nan 0.000 0.436 18 R N -0.236 120.249 120.500 -0.025 0.000 2.062 18 R HA -0.127 4.213 4.340 0.000 0.000 0.229 18 R C 2.257 178.561 176.300 0.006 0.000 1.128 18 R CA 1.356 57.449 56.100 -0.012 0.000 0.960 18 R CB -0.230 30.061 30.300 -0.015 0.000 0.855 18 R HN 0.118 nan 8.270 nan 0.000 0.432 19 E N 1.204 121.414 120.200 0.015 0.000 2.153 19 E HA -0.124 4.227 4.350 0.000 0.000 0.194 19 E C 1.262 177.914 176.600 0.087 0.000 0.988 19 E CA 1.191 57.613 56.400 0.037 0.000 0.811 19 E CB 0.003 29.721 29.700 0.031 0.000 0.746 19 E HN 0.266 nan 8.360 nan 0.000 0.466 20 L N 0.612 121.897 121.223 0.104 0.000 2.700 20 L HA 0.178 4.518 4.340 0.000 0.000 0.234 20 L C 1.813 178.776 176.870 0.155 0.000 1.156 20 L CA 0.475 55.441 54.840 0.210 0.000 0.946 20 L CB -0.061 42.104 42.059 0.177 0.000 1.216 20 L HN 0.112 nan 8.230 nan 0.000 0.493 21 S N -0.303 115.432 115.700 0.058 0.000 2.465 21 S HA -0.135 4.335 4.470 0.000 0.000 0.241 21 S C 1.808 176.400 174.600 -0.013 0.000 1.000 21 S CA 1.238 59.448 58.200 0.017 0.000 0.964 21 S CB -0.375 62.821 63.200 -0.006 0.000 0.763 21 S HN 0.468 nan 8.310 nan 0.000 0.512 22 G N -1.077 107.676 108.800 -0.079 0.000 2.939 22 G HA2 0.197 4.158 3.960 0.000 0.000 0.210 22 G HA3 0.197 4.158 3.960 0.000 0.000 0.210 22 G C 0.691 175.423 174.900 -0.279 0.000 1.160 22 G CA -0.040 44.934 45.100 -0.210 0.000 0.770 22 G HN 0.621 nan 8.290 nan 0.000 0.543 23 Y N -0.040 120.267 120.300 0.011 0.000 2.462 23 Y HA 0.304 4.854 4.550 0.000 0.000 0.261 23 Y C 1.169 177.090 175.900 0.034 0.000 1.146 23 Y CA -1.303 56.807 58.100 0.016 0.000 1.283 23 Y CB -0.007 38.462 38.460 0.014 0.000 1.090 23 Y HN 0.017 nan 8.280 nan 0.000 0.526 24 C N 1.091 120.480 119.300 0.149 0.000 2.350 24 C HA 0.698 5.159 4.460 0.000 0.000 0.348 24 C C 0.716 175.760 174.990 0.090 0.000 1.260 24 C CA -0.865 58.224 59.018 0.118 0.000 1.966 24 C CB 0.130 27.916 27.740 0.076 0.000 2.380 24 C HN 0.445 nan 8.230 nan 0.000 0.535 25 S N 2.203 117.970 115.700 0.111 0.000 2.810 25 S HA 0.497 4.967 4.470 0.000 0.000 0.315 25 S C -0.940 173.703 174.600 0.072 0.000 1.138 25 S CA -0.725 57.531 58.200 0.093 0.000 0.889 25 S CB 0.877 64.153 63.200 0.127 0.000 1.236 25 S HN 0.775 nan 8.310 nan 0.000 0.548 26 N N 0.351 119.085 118.700 0.057 0.000 2.479 26 N HA 0.408 5.148 4.740 0.000 0.000 0.285 26 N C -0.280 175.251 175.510 0.036 0.000 1.075 26 N CA -0.408 52.665 53.050 0.039 0.000 0.967 26 N CB 0.837 39.339 38.487 0.026 0.000 1.137 26 N HN 0.772 nan 8.380 nan 0.000 0.472 27 I N 0.466 121.044 120.570 0.012 0.000 4.453 27 I HA 0.201 4.371 4.170 0.000 0.000 0.342 27 I C 1.609 177.700 176.117 -0.043 0.000 1.341 27 I CA -0.522 60.761 61.300 -0.028 0.000 1.217 27 I CB 0.243 38.195 38.000 -0.079 0.000 1.545 27 I HN 0.385 nan 8.210 nan 0.000 0.557 28 K N 2.210 122.599 120.400 -0.019 0.000 2.059 28 K HA -0.150 4.171 4.320 0.000 0.000 0.212 28 K C 1.821 178.407 176.600 -0.024 0.000 1.050 28 K CA 2.260 58.536 56.287 -0.018 0.000 0.927 28 K CB -0.200 32.296 32.500 -0.006 0.000 0.714 28 K HN 0.488 nan 8.250 nan 0.000 0.447 29 L N 0.625 121.836 121.223 -0.020 0.000 2.083 29 L HA -0.203 4.137 4.340 0.000 0.000 0.209 29 L C 2.720 179.572 176.870 -0.031 0.000 1.083 29 L CA 1.389 56.219 54.840 -0.017 0.000 0.752 29 L CB -0.362 41.692 42.059 -0.009 0.000 0.899 29 L HN 0.318 nan 8.230 nan 0.000 0.433 30 Q N -0.723 119.043 119.800 -0.056 0.000 2.083 30 Q HA -0.126 4.214 4.340 0.000 0.000 0.198 30 Q C 2.414 178.354 176.000 -0.099 0.000 0.969 30 Q CA 1.211 56.960 55.803 -0.091 0.000 0.838 30 Q CB 0.008 28.654 28.738 -0.154 0.000 0.900 30 Q HN 0.346 nan 8.270 nan 0.000 0.436 31 V N 0.087 119.944 119.914 -0.096 0.000 2.358 31 V HA -0.210 3.910 4.120 0.000 0.000 0.246 31 V C 2.173 178.248 176.094 -0.033 0.000 1.047 31 V CA 1.310 63.565 62.300 -0.075 0.000 1.035 31 V CB -0.326 31.458 31.823 -0.064 0.000 0.658 31 V HN 0.175 nan 8.190 nan 0.000 0.452 32 V N 0.085 119.987 119.914 -0.020 0.000 2.358 32 V HA -0.262 3.859 4.120 0.000 0.000 0.246 32 V C 2.411 178.514 176.094 0.014 0.000 1.047 32 V CA 2.316 64.616 62.300 0.000 0.000 1.035 32 V CB -0.630 31.194 31.823 0.001 0.000 0.658 32 V HN 0.585 nan 8.190 nan 0.000 0.452 33 K N -0.057 120.346 120.400 0.004 0.000 2.097 33 K HA -0.227 4.093 4.320 0.000 0.000 0.206 33 K C 1.729 178.342 176.600 0.021 0.000 1.049 33 K CA 1.852 58.148 56.287 0.015 0.000 0.933 33 K CB -0.196 32.303 32.500 -0.002 0.000 0.717 33 K HN 0.376 nan 8.250 nan 0.000 0.442 34 D N 0.122 120.520 120.400 -0.003 0.000 2.219 34 D HA -0.059 4.581 4.640 0.000 0.000 0.205 34 D C 1.619 177.942 176.300 0.039 0.000 0.970 34 D CA 1.099 55.100 54.000 0.002 0.000 0.851 34 D CB 0.060 40.837 40.800 -0.038 0.000 0.943 34 D HN 0.385 nan 8.370 nan 0.000 0.488 35 A N 0.422 123.270 122.820 0.046 0.000 1.898 35 A HA -0.145 4.176 4.320 0.000 0.000 0.214 35 A C 2.069 179.716 177.584 0.105 0.000 1.183 35 A CA 0.885 52.969 52.037 0.078 0.000 0.622 35 A CB -0.431 18.605 19.000 0.060 0.000 0.824 35 A HN 0.144 nan 8.150 nan 0.000 0.444 36 Q N -0.308 119.553 119.800 0.102 0.000 2.062 36 Q HA -0.247 4.093 4.340 0.000 0.000 0.209 36 Q C 2.372 178.555 176.000 0.306 0.000 0.996 36 Q CA 1.851 57.754 55.803 0.168 0.000 0.859 36 Q CB -0.464 28.388 28.738 0.191 0.000 0.920 36 Q HN 0.675 nan 8.270 nan 0.000 0.415 37 A N 0.549 123.503 122.820 0.223 0.000 2.019 37 A HA -0.137 4.184 4.320 0.000 0.000 0.219 37 A C 2.035 179.723 177.584 0.174 0.000 1.164 37 A CA 1.033 53.184 52.037 0.189 0.000 0.644 37 A CB -0.523 18.529 19.000 0.086 0.000 0.805 37 A HN 0.281 nan 8.150 nan 0.000 0.449 38 L N -0.997 120.321 121.223 0.159 0.000 2.072 38 L HA -0.113 4.227 4.340 0.000 0.000 0.205 38 L C 2.476 179.531 176.870 0.308 0.000 1.079 38 L CA 0.882 55.825 54.840 0.171 0.000 0.752 38 L CB -0.511 41.646 42.059 0.163 0.000 0.906 38 L HN 0.349 nan 8.230 nan 0.000 0.436 39 L N -0.996 120.396 121.223 0.282 0.000 2.131 39 L HA -0.249 4.091 4.340 0.000 0.000 0.210 39 L C 2.385 179.321 176.870 0.111 0.000 1.092 39 L CA 1.346 56.304 54.840 0.196 0.000 0.759 39 L CB -0.571 41.452 42.059 -0.059 0.000 0.903 39 L HN 0.312 nan 8.230 nan 0.000 0.435 40 H N -1.734 117.420 119.070 0.139 0.000 2.448 40 H HA 0.035 4.591 4.556 0.000 0.000 0.292 40 H C 1.859 177.241 175.328 0.091 0.000 1.035 40 H CA 1.022 57.126 56.048 0.093 0.000 1.349 40 H CB 0.243 30.040 29.762 0.059 0.000 1.425 40 H HN 0.302 nan 8.280 nan 0.000 0.539 41 G N -0.942 107.983 108.800 0.209 0.000 3.443 41 G HA2 0.165 4.126 3.960 0.000 0.000 0.252 41 G HA3 0.165 4.126 3.960 0.000 0.000 0.252 41 G C -0.434 174.501 174.900 0.059 0.000 1.015 41 G CA -0.206 44.965 45.100 0.119 0.000 0.891 41 G HN 0.042 nan 8.290 nan 0.000 0.510 42 L N 1.135 122.386 121.223 0.048 0.000 2.325 42 L HA 0.573 4.913 4.340 0.000 0.000 0.279 42 L C -0.970 175.833 176.870 -0.111 0.000 1.054 42 L CA -0.842 53.919 54.840 -0.131 0.000 0.804 42 L CB 1.776 43.598 42.059 -0.394 0.000 1.200 42 L HN -0.104 nan 8.230 nan 0.000 0.436 43 D N 3.058 123.370 120.400 -0.148 0.000 2.393 43 D HA 0.073 4.713 4.640 0.000 0.000 0.232 43 D C 0.597 176.828 176.300 -0.115 0.000 1.192 43 D CA 0.160 54.130 54.000 -0.050 0.000 0.882 43 D CB 0.318 41.093 40.800 -0.041 0.000 1.038 43 D HN 0.436 nan 8.370 nan 0.000 0.499 44 F N 1.360 121.319 119.950 0.015 0.000 2.661 44 F HA -0.107 4.421 4.527 0.000 0.000 0.298 44 F C 2.644 178.449 175.800 0.009 0.000 1.137 44 F CA 0.391 58.405 58.000 0.023 0.000 1.454 44 F CB 0.057 39.084 39.000 0.044 0.000 1.103 44 F HN 0.366 nan 8.300 nan 0.000 0.577 45 S N -0.337 115.443 115.700 0.133 0.000 2.402 45 S HA -0.206 4.264 4.470 0.000 0.000 0.229 45 S C 1.913 176.517 174.600 0.007 0.000 1.021 45 S CA 1.298 59.538 58.200 0.067 0.000 0.974 45 S CB -0.277 62.953 63.200 0.051 0.000 0.800 45 S HN 0.306 nan 8.310 nan 0.000 0.484 46 E N 1.248 121.423 120.200 -0.041 0.000 2.208 46 E HA 0.036 4.387 4.350 0.000 0.000 0.193 46 E C 1.807 178.303 176.600 -0.172 0.000 0.988 46 E CA 0.720 57.059 56.400 -0.102 0.000 0.828 46 E CB -0.532 29.093 29.700 -0.125 0.000 0.763 46 E HN 0.407 nan 8.360 nan 0.000 0.478 47 V N -0.115 119.699 119.914 -0.166 0.000 2.237 47 V HA -0.246 3.874 4.120 0.000 0.000 0.245 47 V C 2.355 178.399 176.094 -0.083 0.000 1.046 47 V CA 1.955 64.138 62.300 -0.194 0.000 1.007 47 V CB -0.879 30.934 31.823 -0.016 0.000 0.638 47 V HN 0.309 nan 8.190 nan 0.000 0.445 48 S N -0.005 115.712 115.700 0.028 0.000 2.402 48 S HA -0.278 4.192 4.470 0.000 0.000 0.233 48 S C 1.882 176.484 174.600 0.003 0.000 1.030 48 S CA 2.135 60.363 58.200 0.047 0.000 1.003 48 S CB -0.591 62.654 63.200 0.076 0.000 0.813 48 S HN 0.697 nan 8.310 nan 0.000 0.477 49 N N 0.135 118.815 118.700 -0.033 0.000 2.216 49 N HA -0.007 4.734 4.740 0.000 0.000 0.183 49 N C 1.443 176.922 175.510 -0.052 0.000 1.017 49 N CA 1.286 54.314 53.050 -0.036 0.000 0.861 49 N CB -0.125 38.337 38.487 -0.042 0.000 0.986 49 N HN 0.240 nan 8.380 nan 0.000 0.428 50 V N 0.530 120.373 119.914 -0.118 0.000 2.453 50 V HA -0.143 3.977 4.120 0.000 0.000 0.247 50 V C 2.094 178.170 176.094 -0.030 0.000 1.048 50 V CA 1.401 63.627 62.300 -0.124 0.000 1.049 50 V CB -0.540 31.072 31.823 -0.352 0.000 0.672 50 V HN 0.374 nan 8.190 nan 0.000 0.457 51 Q N -0.272 119.514 119.800 -0.023 0.000 2.124 51 Q HA -0.227 4.114 4.340 0.000 0.000 0.202 51 Q C 2.455 178.476 176.000 0.034 0.000 0.977 51 Q CA 1.726 57.550 55.803 0.035 0.000 0.850 51 Q CB -0.283 28.489 28.738 0.056 0.000 0.901 51 Q HN 0.521 nan 8.270 nan 0.000 0.429 52 R N 0.645 121.157 120.500 0.019 0.000 2.081 52 R HA -0.135 4.206 4.340 0.000 0.000 0.235 52 R C 2.031 178.336 176.300 0.008 0.000 1.131 52 R CA 1.102 57.211 56.100 0.015 0.000 0.960 52 R CB -0.135 30.171 30.300 0.010 0.000 0.856 52 R HN 0.264 nan 8.270 nan 0.000 0.436 53 L N 0.059 121.289 121.223 0.011 0.000 2.109 53 L HA -0.134 4.206 4.340 0.000 0.000 0.207 53 L C 2.509 179.376 176.870 -0.005 0.000 1.086 53 L CA 0.732 55.577 54.840 0.009 0.000 0.760 53 L CB -0.256 41.829 42.059 0.044 0.000 0.910 53 L HN 0.257 nan 8.230 nan 0.000 0.437 54 M N -0.645 118.980 119.600 0.041 0.000 2.296 54 M HA -0.150 4.330 4.480 0.000 0.000 0.265 54 M C 2.189 178.487 176.300 -0.004 0.000 1.064 54 M CA 1.461 56.791 55.300 0.049 0.000 1.109 54 M CB -1.020 31.656 32.600 0.126 0.000 1.396 54 M HN 0.194 nan 8.290 nan 0.000 0.430 55 R N 0.344 120.842 120.500 -0.002 0.000 2.189 55 R HA -0.005 4.335 4.340 0.000 0.000 0.218 55 R C 0.328 176.603 176.300 -0.042 0.000 1.074 55 R CA 0.434 56.527 56.100 -0.012 0.000 0.991 55 R CB 0.044 30.348 30.300 0.006 0.000 0.883 55 R HN 0.363 nan 8.270 nan 0.000 0.457 56 K N 0.806 121.166 120.400 -0.066 0.000 2.382 56 K HA -0.036 4.284 4.320 0.000 0.000 0.275 56 K C 0.695 177.216 176.600 -0.132 0.000 1.009 56 K CA 0.125 56.357 56.287 -0.091 0.000 0.970 56 K CB 0.697 33.134 32.500 -0.104 0.000 0.934 56 K HN 0.076 nan 8.250 nan 0.000 0.479 57 E N 1.849 121.983 120.200 -0.111 0.000 2.106 57 E HA -0.124 4.226 4.350 0.000 0.000 0.192 57 E C -0.069 176.430 176.600 -0.169 0.000 0.984 57 E CA 1.080 57.408 56.400 -0.121 0.000 0.806 57 E CB 0.235 29.886 29.700 -0.082 0.000 0.750 57 E HN 0.300 nan 8.360 nan 0.000 0.458 58 R N 0.248 120.649 120.500 -0.165 0.000 2.561 58 R HA 0.457 4.798 4.340 0.000 0.000 0.297 58 R C -0.786 175.381 176.300 -0.221 0.000 0.969 58 R CA -0.474 55.512 56.100 -0.190 0.000 0.879 58 R CB 1.920 32.157 30.300 -0.104 0.000 1.178 58 R HN -0.091 nan 8.270 nan 0.000 0.445 59 R N 0.913 121.215 120.500 -0.330 0.000 2.807 59 R HA 0.389 4.730 4.340 0.000 0.000 0.276 59 R C -0.893 175.401 176.300 -0.011 0.000 0.979 59 R CA -1.031 54.879 56.100 -0.317 0.000 0.928 59 R CB 1.531 31.289 30.300 -0.903 0.000 1.191 59 R HN 0.662 nan 8.270 nan 0.000 0.471 60 D N -1.100 119.387 120.400 0.146 0.000 2.758 60 D HA 0.145 4.785 4.640 0.000 0.000 0.262 60 D C -0.043 176.424 176.300 0.279 0.000 1.113 60 D CA -0.620 53.510 54.000 0.217 0.000 1.114 60 D CB 0.295 41.165 40.800 0.117 0.000 1.363 60 D HN 0.239 nan 8.370 nan 0.000 0.617 61 D N -1.078 119.432 120.400 0.183 0.000 2.178 61 D HA -0.102 4.538 4.640 0.000 0.000 0.202 61 D C 1.238 177.608 176.300 0.117 0.000 0.974 61 D CA 0.796 54.880 54.000 0.140 0.000 0.841 61 D CB -0.038 40.818 40.800 0.094 0.000 0.953 61 D HN 0.255 nan 8.370 nan 0.000 0.478 62 N N 1.114 119.877 118.700 0.105 0.000 2.069 62 N HA -0.127 4.613 4.740 0.000 0.000 0.191 62 N C 1.217 176.787 175.510 0.100 0.000 1.031 62 N CA 1.010 54.108 53.050 0.080 0.000 0.852 62 N CB -0.245 38.278 38.487 0.061 0.000 1.018 62 N HN 0.226 nan 8.380 nan 0.000 0.423 63 D N 0.037 120.529 120.400 0.154 0.000 2.149 63 D HA -0.090 4.550 4.640 0.000 0.000 0.201 63 D C 1.987 178.454 176.300 0.279 0.000 0.972 63 D CA 0.337 54.456 54.000 0.199 0.000 0.835 63 D CB -0.332 40.592 40.800 0.206 0.000 0.966 63 D HN 0.151 nan 8.370 nan 0.000 0.476 64 L N 1.234 122.648 121.223 0.319 0.000 2.093 64 L HA -0.069 4.271 4.340 0.000 0.000 0.208 64 L C 1.954 178.837 176.870 0.020 0.000 1.085 64 L CA 1.618 56.528 54.840 0.118 0.000 0.755 64 L CB -0.445 41.590 42.059 -0.041 0.000 0.904 64 L HN -0.200 nan 8.230 nan 0.000 0.435 65 K N -0.152 120.271 120.400 0.037 0.000 2.063 65 K HA -0.205 4.116 4.320 0.000 0.000 0.208 65 K C 2.251 178.847 176.600 -0.006 0.000 1.048 65 K CA 1.551 57.841 56.287 0.005 0.000 0.928 65 K CB -0.116 32.393 32.500 0.014 0.000 0.713 65 K HN 0.373 nan 8.250 nan 0.000 0.442 66 R N 0.383 120.890 120.500 0.011 0.000 2.115 66 R HA -0.133 4.207 4.340 0.000 0.000 0.230 66 R C 2.396 178.664 176.300 -0.052 0.000 1.111 66 R CA 0.915 57.004 56.100 -0.019 0.000 0.976 66 R CB -0.357 29.936 30.300 -0.012 0.000 0.870 66 R HN 0.169 nan 8.270 nan 0.000 0.445 67 L N 1.256 122.462 121.223 -0.029 0.000 1.994 67 L HA -0.156 4.184 4.340 0.000 0.000 0.208 67 L C 2.203 179.020 176.870 -0.088 0.000 1.071 67 L CA 1.743 56.545 54.840 -0.064 0.000 0.745 67 L CB -0.304 41.736 42.059 -0.032 0.000 0.892 67 L HN -0.057 nan 8.230 nan 0.000 0.431 68 R N -0.380 120.061 120.500 -0.098 0.000 2.096 68 R HA -0.162 4.178 4.340 0.000 0.000 0.235 68 R C 1.919 178.179 176.300 -0.067 0.000 1.127 68 R CA 1.569 57.609 56.100 -0.100 0.000 0.968 68 R CB -0.571 29.671 30.300 -0.097 0.000 0.861 68 R HN 0.438 nan 8.270 nan 0.000 0.440 69 D N 0.560 120.925 120.400 -0.058 0.000 2.117 69 D HA -0.140 4.501 4.640 0.000 0.000 0.197 69 D C 1.719 177.985 176.300 -0.057 0.000 0.987 69 D CA 0.792 54.762 54.000 -0.050 0.000 0.829 69 D CB -0.121 40.652 40.800 -0.045 0.000 0.961 69 D HN 0.008 nan 8.370 nan 0.000 0.460 70 L N 0.865 122.039 121.223 -0.081 0.000 2.056 70 L HA -0.092 4.248 4.340 0.000 0.000 0.207 70 L C 1.560 178.430 176.870 -0.000 0.000 1.078 70 L CA 1.486 56.265 54.840 -0.100 0.000 0.749 70 L CB -0.555 41.349 42.059 -0.259 0.000 0.901 70 L HN -0.061 nan 8.230 nan 0.000 0.433 71 N N -0.529 118.191 118.700 0.033 0.000 2.205 71 N HA -0.239 4.502 4.740 0.000 0.000 0.186 71 N C 1.828 177.338 175.510 -0.000 0.000 1.015 71 N CA 1.238 54.315 53.050 0.044 0.000 0.862 71 N CB -0.200 38.274 38.487 -0.022 0.000 0.986 71 N HN 0.443 nan 8.380 nan 0.000 0.429 72 Q N 0.516 120.304 119.800 -0.020 0.000 2.187 72 Q HA 0.176 4.517 4.340 0.000 0.000 0.199 72 Q C 1.750 177.739 176.000 -0.018 0.000 0.957 72 Q CA 1.297 57.087 55.803 -0.023 0.000 0.857 72 Q CB -0.262 28.458 28.738 -0.029 0.000 0.929 72 Q HN 0.317 nan 8.270 nan 0.000 0.453 73 A N -0.714 122.092 122.820 -0.022 0.000 1.897 73 A HA -0.045 4.276 4.320 0.000 0.000 0.215 73 A C 2.215 179.787 177.584 -0.019 0.000 1.181 73 A CA 1.306 53.327 52.037 -0.026 0.000 0.620 73 A CB -0.702 18.271 19.000 -0.045 0.000 0.821 73 A HN 0.240 nan 8.150 nan 0.000 0.443 74 V N 0.871 120.781 119.914 -0.006 0.000 2.295 74 V HA -0.295 3.825 4.120 0.000 0.000 0.246 74 V C 2.408 178.501 176.094 -0.003 0.000 1.049 74 V CA 2.405 64.707 62.300 0.003 0.000 1.024 74 V CB -1.092 30.756 31.823 0.041 0.000 0.648 74 V HN 0.816 nan 8.190 nan 0.000 0.447 75 N N 0.499 119.197 118.700 -0.004 0.000 2.166 75 N HA -0.191 4.549 4.740 0.000 0.000 0.186 75 N C 1.598 177.108 175.510 -0.001 0.000 1.019 75 N CA 1.540 54.588 53.050 -0.005 0.000 0.856 75 N CB -0.150 38.332 38.487 -0.008 0.000 0.993 75 N HN 0.434 nan 8.380 nan 0.000 0.426 76 N N 0.013 118.711 118.700 -0.003 0.000 2.381 76 N HA -0.054 4.686 4.740 0.000 0.000 0.182 76 N C 1.258 176.770 175.510 0.003 0.000 1.025 76 N CA 0.610 53.660 53.050 -0.001 0.000 0.888 76 N CB -0.029 38.456 38.487 -0.004 0.000 0.965 76 N HN 0.395 nan 8.380 nan 0.000 0.438 77 L N 0.364 121.589 121.223 0.004 0.000 2.375 77 L HA 0.095 4.435 4.340 0.000 0.000 0.215 77 L C 0.874 177.751 176.870 0.010 0.000 1.108 77 L CA 0.032 54.879 54.840 0.011 0.000 0.830 77 L CB 0.088 42.157 42.059 0.017 0.000 0.959 77 L HN -0.045 nan 8.230 nan 0.000 0.457 78 V N -3.678 116.238 119.914 0.003 0.000 3.109 78 V HA 0.301 4.421 4.120 0.000 0.000 0.317 78 V C 0.496 176.583 176.094 -0.011 0.000 1.074 78 V CA -0.494 61.801 62.300 -0.008 0.000 1.033 78 V CB 1.727 33.540 31.823 -0.017 0.000 1.111 78 V HN 0.129 nan 8.190 nan 0.000 0.458 79 E N 0.365 120.543 120.200 -0.036 0.000 2.514 79 E HA 0.366 4.717 4.350 0.000 0.000 0.215 79 E C -0.115 176.439 176.600 -0.078 0.000 0.946 79 E CA -0.159 56.222 56.400 -0.031 0.000 1.038 79 E CB 0.718 30.400 29.700 -0.031 0.000 1.069 79 E HN 0.659 nan 8.360 nan 0.000 0.503 80 L N 2.388 123.508 121.223 -0.170 0.000 2.356 80 L HA 0.263 4.603 4.340 0.000 0.000 0.282 80 L C -0.233 176.624 176.870 -0.020 0.000 1.132 80 L CA 0.311 54.974 54.840 -0.294 0.000 0.923 80 L CB 0.117 41.915 42.059 -0.437 0.000 1.278 80 L HN -0.209 nan 8.230 nan 0.000 0.436 81 K N 1.531 122.028 120.400 0.162 0.000 2.482 81 K HA 0.422 4.742 4.320 0.000 0.000 0.251 81 K C -0.776 175.969 176.600 0.241 0.000 0.936 81 K CA -0.532 55.853 56.287 0.164 0.000 0.791 81 K CB 2.424 34.986 32.500 0.103 0.000 1.213 81 K HN 0.280 nan 8.250 nan 0.000 0.428 82 S N 0.888 116.684 115.700 0.159 0.000 2.580 82 S HA 0.284 4.754 4.470 0.000 0.000 0.274 82 S C -0.388 174.238 174.600 0.044 0.000 1.329 82 S CA -0.084 58.175 58.200 0.099 0.000 1.036 82 S CB 0.937 64.169 63.200 0.053 0.000 0.919 82 S HN 0.439 nan 8.310 nan 0.000 0.515 83 T N 3.095 117.654 114.554 0.007 0.000 2.792 83 T HA 0.244 4.594 4.350 0.000 0.000 0.280 83 T C -0.398 174.281 174.700 -0.036 0.000 0.990 83 T CA -0.540 61.554 62.100 -0.010 0.000 0.960 83 T CB 1.406 70.267 68.868 -0.012 0.000 0.939 83 T HN 0.510 nan 8.240 nan 0.000 0.439 84 Q N 2.943 122.721 119.800 -0.037 0.000 2.520 84 Q HA 0.028 4.368 4.340 0.000 0.000 0.320 84 Q C -0.547 175.420 176.000 -0.054 0.000 1.104 84 Q CA 0.790 56.563 55.803 -0.050 0.000 1.062 84 Q CB 0.094 28.805 28.738 -0.045 0.000 1.005 84 Q HN 0.517 nan 8.270 nan 0.000 0.390 85 Q N 2.888 122.648 119.800 -0.067 0.000 2.483 85 Q HA 0.309 4.650 4.340 0.000 0.000 0.245 85 Q C -1.795 174.160 176.000 -0.075 0.000 0.902 85 Q CA -0.461 55.302 55.803 -0.067 0.000 0.767 85 Q CB 0.969 29.664 28.738 -0.073 0.000 1.341 85 Q HN 0.539 nan 8.270 nan 0.000 0.453 86 K N 1.203 121.563 120.400 -0.065 0.000 2.185 86 K HA 0.667 4.987 4.320 0.000 0.000 0.271 86 K C -0.888 175.677 176.600 -0.058 0.000 1.013 86 K CA -0.052 56.196 56.287 -0.065 0.000 0.943 86 K CB 0.858 33.326 32.500 -0.054 0.000 0.998 86 K HN 0.518 nan 8.250 nan 0.000 0.468 87 S N 3.797 119.463 115.700 -0.057 0.000 2.779 87 S HA 0.412 4.882 4.470 0.000 0.000 0.293 87 S C -0.758 173.821 174.600 -0.034 0.000 1.150 87 S CA -0.711 57.460 58.200 -0.048 0.000 1.057 87 S CB 0.396 63.562 63.200 -0.058 0.000 1.021 87 S HN 0.481 nan 8.310 nan 0.000 0.485 88 I N 4.187 124.742 120.570 -0.025 0.000 2.301 88 I HA 0.286 4.456 4.170 0.000 0.000 0.292 88 I C -0.418 175.691 176.117 -0.012 0.000 1.046 88 I CA -0.484 60.807 61.300 -0.014 0.000 1.282 88 I CB 0.516 38.510 38.000 -0.010 0.000 1.409 88 I HN 0.338 nan 8.210 nan 0.000 0.484 89 L N 7.399 128.617 121.223 -0.008 0.000 2.319 89 L HA 0.421 4.761 4.340 0.000 0.000 0.280 89 L C 0.357 177.226 176.870 -0.002 0.000 1.099 89 L CA -0.217 54.619 54.840 -0.007 0.000 0.828 89 L CB 0.374 42.430 42.059 -0.005 0.000 1.150 89 L HN 0.596 nan 8.230 nan 0.000 0.442 90 R N 1.815 122.313 120.500 -0.003 0.000 2.787 90 R HA 0.522 4.862 4.340 0.000 0.000 0.271 90 R C -0.911 175.389 176.300 0.001 0.000 0.993 90 R CA -1.092 55.008 56.100 -0.000 0.000 0.993 90 R CB 2.174 32.473 30.300 -0.002 0.000 1.155 90 R HN 0.262 nan 8.270 nan 0.000 0.486 91 V N 2.168 122.083 119.914 0.002 0.000 2.557 91 V HA 0.170 4.291 4.120 0.000 0.000 0.301 91 V C 1.007 177.102 176.094 0.002 0.000 1.026 91 V CA 1.772 64.073 62.300 0.002 0.000 1.137 91 V CB 0.455 32.279 31.823 0.002 0.000 0.917 91 V HN 1.130 nan 8.190 nan 0.000 0.484 92 G N 3.860 112.662 108.800 0.002 0.000 2.307 92 G HA2 -0.070 3.890 3.960 0.000 0.000 0.077 92 G HA3 -0.070 3.890 3.960 0.000 0.000 0.077 92 G C 0.804 175.706 174.900 0.004 0.000 0.867 92 G CA 0.328 45.429 45.100 0.003 0.000 1.246 92 G HN 0.439 nan 8.290 nan 0.000 0.489 93 T N 1.714 116.271 114.554 0.006 0.000 2.652 93 T HA 0.062 4.413 4.350 0.000 0.000 0.267 93 T C 1.335 176.040 174.700 0.008 0.000 1.039 93 T CA 0.982 63.087 62.100 0.009 0.000 1.153 93 T CB -0.364 68.512 68.868 0.013 0.000 0.863 93 T HN 0.191 nan 8.240 nan 0.000 0.428 94 L N 2.784 124.011 121.223 0.006 0.000 2.367 94 L HA 0.234 4.574 4.340 0.000 0.000 0.275 94 L C 1.076 177.949 176.870 0.005 0.000 1.129 94 L CA -0.754 54.089 54.840 0.006 0.000 0.839 94 L CB 0.617 42.679 42.059 0.005 0.000 1.133 94 L HN 0.304 nan 8.230 nan 0.000 0.453 95 T N -1.145 113.412 114.554 0.005 0.000 2.816 95 T HA 0.042 4.393 4.350 0.000 0.000 0.282 95 T C 1.238 175.941 174.700 0.005 0.000 0.993 95 T CA -0.240 61.862 62.100 0.004 0.000 0.994 95 T CB 1.481 70.350 68.868 0.002 0.000 1.025 95 T HN 0.563 nan 8.240 nan 0.000 0.529 96 S N -0.100 115.603 115.700 0.004 0.000 2.374 96 S HA -0.217 4.253 4.470 0.000 0.000 0.227 96 S C 1.664 176.267 174.600 0.006 0.000 1.037 96 S CA 2.090 60.293 58.200 0.005 0.000 1.024 96 S CB -0.912 62.290 63.200 0.003 0.000 0.861 96 S HN 0.900 nan 8.310 nan 0.000 0.456 97 D N 0.368 120.771 120.400 0.004 0.000 2.123 97 D HA -0.076 4.564 4.640 0.000 0.000 0.200 97 D C 1.609 177.914 176.300 0.008 0.000 0.976 97 D CA 1.337 55.339 54.000 0.004 0.000 0.831 97 D CB -0.267 40.533 40.800 0.000 0.000 0.974 97 D HN 0.337 nan 8.370 nan 0.000 0.469 98 D N 0.127 120.532 120.400 0.008 0.000 2.116 98 D HA -0.169 4.471 4.640 0.000 0.000 0.193 98 D C 2.273 178.584 176.300 0.019 0.000 0.998 98 D CA 0.692 54.699 54.000 0.012 0.000 0.836 98 D CB -0.365 40.441 40.800 0.010 0.000 0.951 98 D HN 0.324 nan 8.370 nan 0.000 0.449 99 L N 0.163 121.396 121.223 0.016 0.000 2.083 99 L HA -0.151 4.189 4.340 0.000 0.000 0.209 99 L C 2.566 179.450 176.870 0.023 0.000 1.083 99 L CA 0.589 55.440 54.840 0.019 0.000 0.752 99 L CB -0.295 41.772 42.059 0.014 0.000 0.899 99 L HN 0.042 nan 8.230 nan 0.000 0.433 100 L N -0.748 120.487 121.223 0.020 0.000 2.291 100 L HA -0.169 4.172 4.340 0.000 0.000 0.214 100 L C 2.267 179.155 176.870 0.029 0.000 1.120 100 L CA 0.908 55.761 54.840 0.021 0.000 0.799 100 L CB -0.071 41.996 42.059 0.014 0.000 0.925 100 L HN 0.221 nan 8.230 nan 0.000 0.446 101 I N -1.053 119.537 120.570 0.033 0.000 2.339 101 I HA -0.238 3.932 4.170 0.000 0.000 0.245 101 I C 2.193 178.352 176.117 0.072 0.000 1.096 101 I CA 0.886 62.215 61.300 0.047 0.000 1.408 101 I CB -0.099 37.924 38.000 0.038 0.000 1.092 101 I HN 0.125 nan 8.210 nan 0.000 0.423 102 L N 0.705 121.968 121.223 0.067 0.000 2.127 102 L HA -0.233 4.107 4.340 0.000 0.000 0.211 102 L C 2.782 179.689 176.870 0.061 0.000 1.089 102 L CA 1.358 56.242 54.840 0.072 0.000 0.757 102 L CB -0.687 41.403 42.059 0.052 0.000 0.899 102 L HN 0.266 nan 8.230 nan 0.000 0.434 103 A N -0.103 122.747 122.820 0.051 0.000 1.873 103 A HA -0.126 4.194 4.320 0.000 0.000 0.215 103 A C 2.559 180.171 177.584 0.047 0.000 1.186 103 A CA 1.542 53.607 52.037 0.046 0.000 0.616 103 A CB -0.732 18.290 19.000 0.037 0.000 0.823 103 A HN 0.376 nan 8.150 nan 0.000 0.442 104 A N -0.064 122.786 122.820 0.049 0.000 1.908 104 A HA -0.210 4.111 4.320 0.000 0.000 0.218 104 A C 1.729 179.353 177.584 0.067 0.000 1.181 104 A CA 2.168 54.237 52.037 0.053 0.000 0.627 104 A CB -0.577 18.456 19.000 0.055 0.000 0.818 104 A HN 0.456 nan 8.150 nan 0.000 0.445 105 D N -0.576 119.875 120.400 0.086 0.000 2.213 105 D HA 0.051 4.691 4.640 0.000 0.000 0.205 105 D C 1.869 178.199 176.300 0.050 0.000 0.961 105 D CA 0.461 54.520 54.000 0.099 0.000 0.853 105 D CB -0.160 40.739 40.800 0.164 0.000 0.967 105 D HN 0.422 nan 8.370 nan 0.000 0.496 106 L N 0.659 121.914 121.223 0.053 0.000 2.093 106 L HA -0.093 4.248 4.340 0.000 0.000 0.208 106 L C 2.383 179.266 176.870 0.023 0.000 1.085 106 L CA 0.908 55.789 54.840 0.068 0.000 0.755 106 L CB -0.229 41.890 42.059 0.100 0.000 0.904 106 L HN 0.008 nan 8.230 nan 0.000 0.435 107 E N 1.076 121.277 120.200 0.001 0.000 2.072 107 E HA -0.212 4.138 4.350 0.000 0.000 0.191 107 E C 2.037 178.593 176.600 -0.074 0.000 0.985 107 E CA 1.334 57.700 56.400 -0.057 0.000 0.801 107 E CB 0.151 29.839 29.700 -0.020 0.000 0.750 107 E HN 0.423 nan 8.360 nan 0.000 0.452 108 K N 0.146 120.544 120.400 -0.005 0.000 2.148 108 K HA -0.122 4.199 4.320 0.000 0.000 0.204 108 K C 2.171 178.763 176.600 -0.013 0.000 1.050 108 K CA 0.641 56.941 56.287 0.021 0.000 0.942 108 K CB -0.080 32.475 32.500 0.093 0.000 0.724 108 K HN 0.051 nan 8.250 nan 0.000 0.446 109 L N 1.793 123.007 121.223 -0.016 0.000 2.072 109 L HA -0.104 4.237 4.340 0.000 0.000 0.205 109 L C 2.133 178.948 176.870 -0.093 0.000 1.079 109 L CA 1.737 56.578 54.840 0.001 0.000 0.752 109 L CB -0.356 41.753 42.059 0.083 0.000 0.906 109 L HN -0.021 nan 8.230 nan 0.000 0.436 110 K N -1.017 119.207 120.400 -0.294 0.000 2.001 110 K HA -0.241 4.079 4.320 0.000 0.000 0.214 110 K C 2.357 178.615 176.600 -0.569 0.000 1.050 110 K CA 1.951 57.703 56.287 -0.891 0.000 0.934 110 K CB -0.474 31.308 32.500 -1.197 0.000 0.718 110 K HN 0.408 nan 8.250 nan 0.000 0.443 111 S N 0.608 116.100 115.700 -0.347 0.000 2.359 111 S HA -0.205 4.265 4.470 0.000 0.000 0.224 111 S C 2.041 176.550 174.600 -0.152 0.000 1.035 111 S CA 1.588 59.653 58.200 -0.226 0.000 1.018 111 S CB -0.324 62.776 63.200 -0.167 0.000 0.876 111 S HN 0.300 nan 8.310 nan 0.000 0.448 112 K N 0.551 120.889 120.400 -0.104 0.000 2.020 112 K HA -0.086 4.234 4.320 0.000 0.000 0.212 112 K C 2.105 178.664 176.600 -0.068 0.000 1.050 112 K CA 1.882 58.134 56.287 -0.057 0.000 0.929 112 K CB -0.848 31.644 32.500 -0.014 0.000 0.714 112 K HN 0.378 nan 8.250 nan 0.000 0.443 113 V N 1.567 121.430 119.914 -0.084 0.000 2.358 113 V HA -0.237 3.883 4.120 0.000 0.000 0.246 113 V C 2.429 178.516 176.094 -0.013 0.000 1.047 113 V CA 1.532 63.800 62.300 -0.053 0.000 1.035 113 V CB -0.242 31.584 31.823 0.005 0.000 0.658 113 V HN 0.284 nan 8.190 nan 0.000 0.452 114 I N -0.429 120.111 120.570 -0.050 0.000 2.179 114 I HA -0.248 3.923 4.170 0.000 0.000 0.242 114 I C 2.637 178.740 176.117 -0.023 0.000 1.088 114 I CA 1.592 62.884 61.300 -0.013 0.000 1.357 114 I CB -0.356 37.602 38.000 -0.070 0.000 1.051 114 I HN 0.208 nan 8.210 nan 0.000 0.409 115 R N -0.216 120.252 120.500 -0.052 0.000 2.237 115 R HA -0.083 4.257 4.340 0.000 0.000 0.219 115 R C 1.997 178.280 176.300 -0.029 0.000 1.080 115 R CA 1.468 57.542 56.100 -0.043 0.000 0.995 115 R CB -0.325 29.940 30.300 -0.058 0.000 0.875 115 R HN 0.369 nan 8.270 nan 0.000 0.462 116 T N -0.072 114.465 114.554 -0.029 0.000 3.009 116 T HA 0.025 4.376 4.350 0.000 0.000 0.258 116 T C 1.300 175.987 174.700 -0.021 0.000 1.063 116 T CA 0.802 62.886 62.100 -0.027 0.000 1.139 116 T CB 0.237 69.082 68.868 -0.038 0.000 0.890 116 T HN 0.309 nan 8.240 nan 0.000 0.471 117 E N 0.384 120.579 120.200 -0.009 0.000 2.256 117 E HA 0.220 4.571 4.350 0.000 0.000 0.198 117 E C 2.232 178.846 176.600 0.023 0.000 0.908 117 E CA -0.174 56.226 56.400 -0.001 0.000 0.915 117 E CB 0.171 29.872 29.700 0.002 0.000 0.890 117 E HN 0.117 nan 8.360 nan 0.000 0.484 118 R N 1.149 121.670 120.500 0.036 0.000 2.103 118 R HA -0.127 4.214 4.340 0.000 0.000 0.242 118 R C -0.824 175.503 176.300 0.044 0.000 1.142 118 R CA 1.791 57.918 56.100 0.045 0.000 0.960 118 R CB -0.697 29.628 30.300 0.041 0.000 0.858 118 R HN 0.080 nan 8.270 nan 0.000 0.439 119 P HA -0.084 nan 4.420 nan 0.000 0.223 119 P C 0.669 177.995 177.300 0.045 0.000 1.151 119 P CA 1.027 64.145 63.100 0.030 0.000 0.787 119 P CB -0.018 31.689 31.700 0.012 0.000 0.788 120 L N -0.981 120.276 121.223 0.057 0.000 2.353 120 L HA -0.124 4.216 4.340 0.000 0.000 0.220 120 L C 2.161 179.131 176.870 0.167 0.000 1.133 120 L CA 1.765 56.661 54.840 0.093 0.000 0.798 120 L CB -1.025 41.103 42.059 0.115 0.000 0.922 120 L HN 0.143 nan 8.230 nan 0.000 0.445 121 S N -1.374 114.418 115.700 0.153 0.000 2.731 121 S HA 0.246 4.717 4.470 0.000 0.000 0.244 121 S C 2.051 176.719 174.600 0.115 0.000 1.084 121 S CA 0.236 58.542 58.200 0.177 0.000 0.877 121 S CB -0.048 63.256 63.200 0.172 0.000 0.798 121 S HN 0.176 nan 8.310 nan 0.000 0.496 122 A N 2.021 124.890 122.820 0.081 0.000 1.898 122 A HA 0.509 4.829 4.320 0.000 0.000 0.216 122 A C 1.573 179.190 177.584 0.056 0.000 1.181 122 A CA 1.145 53.216 52.037 0.058 0.000 0.620 122 A CB -1.388 17.633 19.000 0.035 0.000 0.819 122 A HN 1.840 nan 8.150 nan 0.000 0.442 123 G N -2.998 105.834 108.800 0.053 0.000 2.662 123 G HA2 0.172 4.133 3.960 0.000 0.000 0.686 123 G HA3 0.172 4.133 3.960 0.000 0.000 0.686 123 G C -0.838 174.091 174.900 0.048 0.000 1.271 123 G CA -0.452 44.677 45.100 0.049 0.000 0.816 123 G HN 1.100 nan 8.290 nan 0.000 0.608 124 V N 1.633 121.575 119.914 0.046 0.000 2.443 124 V HA 0.488 4.608 4.120 0.000 0.000 0.293 124 V C 0.003 176.144 176.094 0.078 0.000 1.021 124 V CA -0.864 61.468 62.300 0.053 0.000 0.848 124 V CB 1.492 33.327 31.823 0.020 0.000 0.998 124 V HN 1.014 nan 8.190 nan 0.000 0.424 125 Y N 5.999 126.293 120.300 -0.009 0.000 2.511 125 Y HA 0.273 4.824 4.550 0.000 0.000 0.332 125 Y C 0.807 176.700 175.900 -0.011 0.000 1.177 125 Y CA 0.249 58.343 58.100 -0.010 0.000 1.422 125 Y CB 0.846 39.299 38.460 -0.011 0.000 1.271 125 Y HN 0.562 nan 8.280 nan 0.000 0.550 126 M N 5.902 125.104 119.600 -0.664 0.000 2.821 126 M HA 0.212 4.693 4.480 0.000 0.000 0.432 126 M C 0.605 176.572 176.300 -0.555 0.000 1.291 126 M CA 0.119 55.155 55.300 -0.440 0.000 0.838 126 M CB 0.256 32.720 32.600 -0.227 0.000 1.505 126 M HN 0.857 nan 8.290 nan 0.000 0.523 127 G N 1.244 109.396 108.800 -1.079 0.000 3.348 127 G HA2 0.024 3.984 3.960 0.000 0.000 0.180 127 G HA3 0.024 3.984 3.960 0.000 0.000 0.180 127 G C 0.249 175.024 174.900 -0.208 0.000 1.915 127 G CA -0.057 44.690 45.100 -0.587 0.000 0.937 127 G HN 0.384 nan 8.290 nan 0.000 0.564 128 N N 0.770 119.489 118.700 0.031 0.000 2.434 128 N HA 0.268 5.008 4.740 0.000 0.000 0.273 128 N C -0.716 174.874 175.510 0.134 0.000 1.210 128 N CA 0.208 53.315 53.050 0.094 0.000 0.992 128 N CB -0.677 37.877 38.487 0.112 0.000 1.355 128 N HN 0.226 nan 8.380 nan 0.000 0.495 129 L N 0.514 121.774 121.223 0.062 0.000 2.359 129 L HA 0.485 4.826 4.340 0.000 0.000 0.256 129 L C 0.408 177.296 176.870 0.029 0.000 1.026 129 L CA -1.101 53.779 54.840 0.066 0.000 0.828 129 L CB 1.843 43.940 42.059 0.063 0.000 1.406 129 L HN 0.340 nan 8.230 nan 0.000 0.413 130 S N -0.842 114.873 115.700 0.025 0.000 2.596 130 S HA 0.074 4.544 4.470 0.000 0.000 0.260 130 S C 1.044 175.647 174.600 0.004 0.000 1.336 130 S CA -0.134 58.073 58.200 0.012 0.000 0.993 130 S CB 1.267 64.473 63.200 0.011 0.000 0.923 130 S HN 0.606 nan 8.310 nan 0.000 0.567 131 S N -0.009 115.691 115.700 0.000 0.000 2.359 131 S HA -0.199 4.271 4.470 0.000 0.000 0.224 131 S C 2.013 176.611 174.600 -0.003 0.000 1.035 131 S CA 1.619 59.816 58.200 -0.004 0.000 1.018 131 S CB -0.689 62.509 63.200 -0.004 0.000 0.876 131 S HN 0.807 nan 8.310 nan 0.000 0.448 132 Q N 0.298 120.098 119.800 -0.000 0.000 2.045 132 Q HA -0.241 4.099 4.340 0.000 0.000 0.206 132 Q C 2.241 178.242 176.000 0.001 0.000 0.991 132 Q CA 1.922 57.725 55.803 0.000 0.000 0.851 132 Q CB -0.193 28.547 28.738 0.002 0.000 0.911 132 Q HN 0.604 nan 8.270 nan 0.000 0.418 133 Q N 0.000 119.804 119.800 0.005 0.000 2.020 133 Q HA -0.149 4.192 4.340 0.000 0.000 0.202 133 Q C 2.307 178.308 176.000 0.002 0.000 0.982 133 Q CA 1.551 57.360 55.803 0.009 0.000 0.838 133 Q CB -0.116 28.636 28.738 0.023 0.000 0.899 133 Q HN 0.387 nan 8.270 nan 0.000 0.423 134 L N 0.863 122.083 121.223 -0.005 0.000 2.021 134 L HA -0.304 4.036 4.340 0.000 0.000 0.215 134 L C 1.965 178.823 176.870 -0.019 0.000 1.074 134 L CA 1.372 56.200 54.840 -0.021 0.000 0.760 134 L CB -0.426 41.617 42.059 -0.026 0.000 0.889 134 L HN 0.265 nan 8.230 nan 0.000 0.433 135 D N -1.071 119.321 120.400 -0.013 0.000 2.149 135 D HA -0.152 4.488 4.640 0.000 0.000 0.201 135 D C 2.313 178.607 176.300 -0.010 0.000 0.972 135 D CA 0.886 54.879 54.000 -0.012 0.000 0.835 135 D CB -0.052 40.742 40.800 -0.009 0.000 0.966 135 D HN 0.434 nan 8.370 nan 0.000 0.476 136 Q N 0.387 120.184 119.800 -0.006 0.000 2.050 136 Q HA -0.098 4.243 4.340 0.000 0.000 0.202 136 Q C 2.291 178.287 176.000 -0.006 0.000 0.980 136 Q CA 1.014 56.814 55.803 -0.004 0.000 0.840 136 Q CB 0.041 28.778 28.738 -0.001 0.000 0.898 136 Q HN 0.187 nan 8.270 nan 0.000 0.424 137 R N 0.121 120.617 120.500 -0.007 0.000 2.081 137 R HA -0.085 4.255 4.340 0.000 0.000 0.235 137 R C 2.335 178.625 176.300 -0.016 0.000 1.131 137 R CA 1.129 57.224 56.100 -0.009 0.000 0.960 137 R CB -0.101 30.194 30.300 -0.008 0.000 0.856 137 R HN 0.140 nan 8.270 nan 0.000 0.436 138 R N 0.082 120.570 120.500 -0.019 0.000 2.083 138 R HA -0.132 4.208 4.340 0.000 0.000 0.237 138 R C 2.334 178.625 176.300 -0.016 0.000 1.137 138 R CA 1.558 57.645 56.100 -0.021 0.000 0.951 138 R CB -0.409 29.878 30.300 -0.022 0.000 0.851 138 R HN 0.230 nan 8.270 nan 0.000 0.434 139 A N 1.114 123.927 122.820 -0.012 0.000 1.908 139 A HA -0.180 4.140 4.320 0.000 0.000 0.218 139 A C 2.060 179.639 177.584 -0.009 0.000 1.181 139 A CA 1.209 53.241 52.037 -0.009 0.000 0.627 139 A CB -0.496 18.501 19.000 -0.006 0.000 0.818 139 A HN 0.261 nan 8.150 nan 0.000 0.445 140 L N -0.256 120.961 121.223 -0.009 0.000 2.017 140 L HA -0.081 4.260 4.340 0.000 0.000 0.208 140 L C 2.277 179.139 176.870 -0.012 0.000 1.073 140 L CA 1.702 56.536 54.840 -0.010 0.000 0.745 140 L CB -0.589 41.464 42.059 -0.010 0.000 0.894 140 L HN 0.396 nan 8.230 nan 0.000 0.432 141 L N -0.219 120.995 121.223 -0.015 0.000 2.083 141 L HA -0.222 4.119 4.340 0.000 0.000 0.209 141 L C 2.317 179.176 176.870 -0.018 0.000 1.083 141 L CA 1.168 55.998 54.840 -0.018 0.000 0.752 141 L CB -0.749 41.297 42.059 -0.022 0.000 0.899 141 L HN 0.415 nan 8.230 nan 0.000 0.433 142 N N -0.220 118.470 118.700 -0.016 0.000 2.142 142 N HA -0.186 4.554 4.740 0.000 0.000 0.186 142 N C 1.852 177.354 175.510 -0.013 0.000 1.023 142 N CA 1.255 54.296 53.050 -0.015 0.000 0.852 142 N CB -0.227 38.253 38.487 -0.013 0.000 0.998 142 N HN 0.283 nan 8.380 nan 0.000 0.424 143 M N 0.791 120.385 119.600 -0.011 0.000 2.149 143 M HA -0.091 4.389 4.480 0.000 0.000 0.261 143 M C 1.416 177.708 176.300 -0.013 0.000 1.064 143 M CA 1.458 56.752 55.300 -0.010 0.000 1.102 143 M CB -0.025 32.571 32.600 -0.006 0.000 1.369 143 M HN 0.175 nan 8.290 nan 0.000 0.408 144 I N -3.952 116.609 120.570 -0.015 0.000 3.904 144 I HA 0.434 4.605 4.170 0.000 0.000 0.333 144 I C 0.854 176.957 176.117 -0.022 0.000 1.361 144 I CA 0.276 61.565 61.300 -0.019 0.000 1.116 144 I CB -0.328 37.660 38.000 -0.019 0.000 1.028 144 I HN 0.349 nan 8.210 nan 0.000 0.398 145 G N 1.725 110.513 108.800 -0.020 0.000 2.182 145 G HA2 -0.246 3.715 3.960 0.000 0.000 0.248 145 G HA3 -0.246 3.715 3.960 0.000 0.000 0.248 145 G C -0.056 174.827 174.900 -0.028 0.000 1.042 145 G CA 0.381 45.468 45.100 -0.022 0.000 0.775 145 G HN 0.441 nan 8.290 nan 0.000 0.501 159 G N 0.578 109.403 108.800 0.041 0.000 2.729 159 G HA2 -0.278 3.682 3.960 0.000 0.000 0.216 159 G HA3 -0.278 3.682 3.960 0.000 0.000 0.216 159 G C 0.181 175.030 174.900 -0.084 0.000 1.252 159 G CA 0.328 45.405 45.100 -0.037 0.000 0.751 159 G HN 0.568 nan 8.290 nan 0.000 0.527 160 V N 2.108 122.081 119.914 0.098 0.000 2.530 160 V HA 0.514 4.634 4.120 0.000 0.000 0.282 160 V C 0.689 176.791 176.094 0.015 0.000 1.048 160 V CA -0.317 62.034 62.300 0.085 0.000 0.997 160 V CB 1.617 33.516 31.823 0.127 0.000 0.987 160 V HN 0.439 nan 8.190 nan 0.000 0.477 161 V N 7.561 127.472 119.914 -0.006 0.000 2.350 161 V HA 0.589 4.709 4.120 0.000 0.000 0.276 161 V C 0.209 176.301 176.094 -0.004 0.000 1.028 161 V CA -0.400 61.887 62.300 -0.022 0.000 0.860 161 V CB 0.969 32.766 31.823 -0.043 0.000 0.990 161 V HN 1.056 nan 8.190 nan 0.000 0.453 162 R N 3.318 123.813 120.500 -0.007 0.000 2.739 162 R HA 0.708 5.048 4.340 0.000 0.000 0.271 162 R C -0.834 175.443 176.300 -0.038 0.000 1.010 162 R CA -0.854 55.249 56.100 0.004 0.000 0.897 162 R CB 1.803 32.128 30.300 0.042 0.000 1.236 162 R HN 0.135 nan 8.270 nan 0.000 0.466 163 V N -0.907 118.975 119.914 -0.054 0.000 2.672 163 V HA 0.197 4.318 4.120 0.000 0.000 0.242 163 V C -0.032 175.869 176.094 -0.323 0.000 1.059 163 V CA 0.350 62.520 62.300 -0.216 0.000 1.081 163 V CB -0.211 31.446 31.823 -0.278 0.000 0.752 163 V HN 0.584 nan 8.190 nan 0.000 0.472 164 W N 1.141 122.448 121.300 0.012 0.000 2.314 164 W HA 0.507 5.167 4.660 0.000 0.000 0.310 164 W C -0.494 176.048 176.519 0.039 0.000 1.075 164 W CA -0.407 56.958 57.345 0.034 0.000 1.253 164 W CB 0.879 30.367 29.460 0.046 0.000 1.238 164 W HN -0.032 nan 8.180 nan 0.000 0.440 165 D N 4.257 124.818 120.400 0.268 0.000 2.499 165 D HA 0.285 4.925 4.640 0.000 0.000 0.225 165 D C -0.916 175.513 176.300 0.216 0.000 1.124 165 D CA -0.169 53.946 54.000 0.192 0.000 0.938 165 D CB 0.389 41.258 40.800 0.114 0.000 1.014 165 D HN 0.125 nan 8.370 nan 0.000 0.517 166 V N 1.353 121.391 119.914 0.207 0.000 2.735 166 V HA 0.463 4.583 4.120 0.000 0.000 0.310 166 V C 1.372 177.537 176.094 0.118 0.000 1.061 166 V CA -1.023 61.375 62.300 0.164 0.000 0.913 166 V CB 1.942 33.850 31.823 0.142 0.000 1.005 166 V HN 0.292 nan 8.190 nan 0.000 0.428 167 K N 2.496 122.954 120.400 0.097 0.000 2.097 167 K HA -0.066 4.254 4.320 0.000 0.000 0.205 167 K C 0.626 177.277 176.600 0.084 0.000 1.050 167 K CA 1.787 58.128 56.287 0.090 0.000 0.938 167 K CB 0.083 32.629 32.500 0.075 0.000 0.718 167 K HN 0.819 nan 8.250 nan 0.000 0.442 168 N N -0.312 118.427 118.700 0.064 0.000 2.576 168 N HA 0.231 4.971 4.740 0.000 0.000 0.269 168 N C -0.297 175.230 175.510 0.029 0.000 1.058 168 N CA -0.072 53.008 53.050 0.051 0.000 0.860 168 N CB 1.715 40.226 38.487 0.039 0.000 1.249 168 N HN 0.186 nan 8.380 nan 0.000 0.525 169 A N 2.905 125.750 122.820 0.041 0.000 2.070 169 A HA -0.085 4.235 4.320 0.000 0.000 0.220 169 A C 1.513 179.099 177.584 0.003 0.000 1.159 169 A CA 1.208 53.261 52.037 0.026 0.000 0.656 169 A CB -0.236 18.797 19.000 0.054 0.000 0.800 169 A HN 0.794 nan 8.150 nan 0.000 0.453 170 E N -0.297 119.909 120.200 0.011 0.000 2.347 170 E HA -0.007 4.344 4.350 0.000 0.000 0.196 170 E C 1.343 177.926 176.600 -0.029 0.000 1.008 170 E CA 0.347 56.746 56.400 -0.001 0.000 0.852 170 E CB -0.170 29.535 29.700 0.007 0.000 0.783 170 E HN 0.640 nan 8.360 nan 0.000 0.505 171 L N 0.482 121.679 121.223 -0.044 0.000 2.551 171 L HA -0.062 4.279 4.340 0.000 0.000 0.228 171 L C 1.835 178.632 176.870 -0.121 0.000 1.153 171 L CA 0.347 55.142 54.840 -0.074 0.000 0.851 171 L CB -0.034 41.985 42.059 -0.068 0.000 0.959 171 L HN 0.179 nan 8.230 nan 0.000 0.451 172 L N -1.136 120.018 121.223 -0.115 0.000 2.375 172 L HA 0.034 4.374 4.340 0.000 0.000 0.215 172 L C 0.613 177.506 176.870 0.038 0.000 1.108 172 L CA -0.139 54.649 54.840 -0.087 0.000 0.830 172 L CB -0.260 41.710 42.059 -0.148 0.000 0.959 172 L HN 0.232 nan 8.230 nan 0.000 0.457 173 N N 1.965 120.666 118.700 0.002 0.000 2.359 173 N HA -0.099 4.641 4.740 0.000 0.000 0.261 173 N C 0.301 175.816 175.510 0.008 0.000 1.267 173 N CA 0.667 53.729 53.050 0.020 0.000 0.864 173 N CB -0.049 38.425 38.487 -0.021 0.000 1.063 173 N HN 0.194 nan 8.380 nan 0.000 0.474 174 N N 0.147 118.883 118.700 0.060 0.000 2.828 174 N HA -0.206 4.535 4.740 0.000 0.000 0.248 174 N C -0.153 175.329 175.510 -0.045 0.000 1.044 174 N CA 0.403 53.472 53.050 0.032 0.000 0.851 174 N CB -0.499 37.983 38.487 -0.009 0.000 1.136 174 N HN 0.542 nan 8.380 nan 0.000 0.572 175 Q N -1.005 118.711 119.800 -0.140 0.000 2.403 175 Q HA 0.208 4.548 4.340 0.000 0.000 0.203 175 Q C 0.364 175.929 176.000 -0.725 0.000 0.932 175 Q CA 0.684 56.184 55.803 -0.507 0.000 0.945 175 Q CB 0.158 28.433 28.738 -0.771 0.000 1.045 175 Q HN 0.588 nan 8.270 nan 0.000 0.511 176 F N -1.105 118.840 119.950 -0.009 0.000 2.746 176 F HA 0.323 4.850 4.527 0.001 0.000 0.320 176 F C 1.331 177.118 175.800 -0.022 0.000 1.097 176 F CA -0.618 57.385 58.000 0.005 0.000 1.195 176 F CB 0.406 39.424 39.000 0.031 0.000 1.056 176 F HN -0.144 nan 8.300 nan 0.000 0.562 177 G N 1.068 109.912 108.800 0.073 0.000 2.491 177 G HA2 0.368 4.328 3.960 0.000 0.000 0.242 177 G HA3 0.368 4.328 3.960 0.000 0.000 0.242 177 G C 0.159 175.042 174.900 -0.028 0.000 1.266 177 G CA -0.144 44.979 45.100 0.039 0.000 0.844 177 G HN 0.127 nan 8.290 nan 0.000 0.571 178 T N -0.482 114.068 114.554 -0.007 0.000 2.909 178 T HA 0.618 4.968 4.350 0.000 0.000 0.289 178 T C -0.012 174.676 174.700 -0.021 0.000 1.005 178 T CA -0.683 61.392 62.100 -0.040 0.000 1.084 178 T CB 1.554 70.421 68.868 -0.000 0.000 0.975 178 T HN 0.463 nan 8.240 nan 0.000 0.509 179 M N 3.059 122.630 119.600 -0.048 0.000 2.267 179 M HA 0.343 4.823 4.480 0.000 0.000 0.289 179 M C -2.369 173.926 176.300 -0.009 0.000 1.043 179 M CA -2.442 52.844 55.300 -0.023 0.000 0.928 179 M CB 2.556 35.124 32.600 -0.054 0.000 1.613 179 M HN 0.345 nan 8.290 nan 0.000 0.450 180 P HA -0.130 nan 4.420 nan 0.000 0.217 180 P C 1.274 178.585 177.300 0.018 0.000 1.150 180 P CA 1.536 64.648 63.100 0.020 0.000 0.832 180 P CB 0.155 31.867 31.700 0.021 0.000 0.787 181 S N -0.677 115.025 115.700 0.003 0.000 2.368 181 S HA -0.168 4.302 4.470 0.000 0.000 0.225 181 S C 1.916 176.544 174.600 0.048 0.000 1.030 181 S CA 1.096 59.306 58.200 0.016 0.000 0.999 181 S CB -1.613 61.586 63.200 -0.003 0.000 0.844 181 S HN -0.017 nan 8.310 nan 0.000 0.459 182 L N 2.165 123.402 121.223 0.023 0.000 2.017 182 L HA -0.028 4.313 4.340 0.000 0.000 0.208 182 L C 2.598 179.522 176.870 0.090 0.000 1.073 182 L CA 2.355 57.214 54.840 0.033 0.000 0.745 182 L CB -1.590 40.415 42.059 -0.089 0.000 0.894 182 L HN 0.345 nan 8.230 nan 0.000 0.432 183 T N -0.241 114.352 114.554 0.064 0.000 2.684 183 T HA -0.223 4.127 4.350 0.000 0.000 0.267 183 T C 1.802 176.613 174.700 0.185 0.000 1.036 183 T CA 1.904 64.088 62.100 0.140 0.000 1.148 183 T CB -0.424 68.507 68.868 0.105 0.000 0.863 183 T HN 0.279 nan 8.240 nan 0.000 0.436 184 L N 0.809 122.099 121.223 0.112 0.000 2.141 184 L HA 0.129 4.470 4.340 0.000 0.000 0.209 184 L C 2.469 179.395 176.870 0.093 0.000 1.094 184 L CA 1.583 56.472 54.840 0.081 0.000 0.763 184 L CB -0.761 41.325 42.059 0.044 0.000 0.908 184 L HN 0.219 nan 8.230 nan 0.000 0.437 185 A N -1.772 121.135 122.820 0.145 0.000 1.898 185 A HA -0.160 4.161 4.320 0.000 0.000 0.214 185 A C 2.354 180.064 177.584 0.210 0.000 1.183 185 A CA 1.403 53.551 52.037 0.186 0.000 0.622 185 A CB -1.290 17.898 19.000 0.314 0.000 0.824 185 A HN 0.557 nan 8.150 nan 0.000 0.444 186 C N -0.525 119.009 119.300 0.389 0.000 2.432 186 C HA -0.050 4.410 4.460 0.000 0.000 0.277 186 C C 2.623 177.801 174.990 0.313 0.000 1.249 186 C CA 0.946 60.252 59.018 0.480 0.000 1.725 186 C CB -1.515 26.567 27.740 0.570 0.000 2.028 186 C HN 0.617 nan 8.230 nan 0.000 0.477 187 L N 0.358 121.726 121.223 0.241 0.000 2.042 187 L HA -0.191 4.149 4.340 0.000 0.000 0.210 187 L C 2.695 179.516 176.870 -0.083 0.000 1.076 187 L CA 1.810 56.627 54.840 -0.038 0.000 0.749 187 L CB -1.140 40.894 42.059 -0.042 0.000 0.893 187 L HN 0.420 nan 8.230 nan 0.000 0.432 188 T N -0.701 113.817 114.554 -0.060 0.000 2.643 188 T HA -0.226 4.125 4.350 0.000 0.000 0.264 188 T C 1.943 176.531 174.700 -0.186 0.000 1.045 188 T CA 1.691 63.724 62.100 -0.111 0.000 1.155 188 T CB -0.105 68.707 68.868 -0.094 0.000 0.863 188 T HN 0.068 nan 8.240 nan 0.000 0.420 189 K N 1.138 121.346 120.400 -0.320 0.000 2.062 189 K HA 0.046 4.367 4.320 0.000 0.000 0.205 189 K C 2.285 178.726 176.600 -0.266 0.000 1.051 189 K CA 1.345 57.355 56.287 -0.462 0.000 0.941 189 K CB -0.203 31.590 32.500 -1.178 0.000 0.719 189 K HN 0.365 nan 8.250 nan 0.000 0.440 190 Q N -1.316 118.392 119.800 -0.152 0.000 2.331 190 Q HA 0.102 4.442 4.340 0.000 0.000 0.203 190 Q C 1.686 177.646 176.000 -0.066 0.000 0.944 190 Q CA 1.019 56.808 55.803 -0.024 0.000 0.892 190 Q CB 0.335 29.170 28.738 0.161 0.000 0.983 190 Q HN 0.451 nan 8.270 nan 0.000 0.482 191 G N 0.090 108.818 108.800 -0.120 0.000 2.838 191 G HA2 -0.073 3.887 3.960 0.000 0.000 0.210 191 G HA3 -0.073 3.887 3.960 0.000 0.000 0.210 191 G C 0.051 174.893 174.900 -0.097 0.000 1.153 191 G CA -0.277 44.744 45.100 -0.132 0.000 0.778 191 G HN 0.274 nan 8.290 nan 0.000 0.539 192 Q N -0.972 118.768 119.800 -0.099 0.000 2.459 192 Q HA -0.146 4.194 4.340 0.000 0.000 0.322 192 Q C -0.440 175.516 176.000 -0.073 0.000 1.427 192 Q CA 0.357 56.109 55.803 -0.085 0.000 0.861 192 Q CB -2.021 26.679 28.738 -0.064 0.000 1.137 192 Q HN 0.666 nan 8.270 nan 0.000 0.394 193 V N -3.752 116.114 119.914 -0.080 0.000 2.962 193 V HA 0.623 4.743 4.120 0.000 0.000 0.313 193 V C 0.021 176.077 176.094 -0.063 0.000 1.099 193 V CA -1.287 60.976 62.300 -0.062 0.000 0.971 193 V CB 2.325 34.114 31.823 -0.056 0.000 1.028 193 V HN 0.093 nan 8.190 nan 0.000 0.430 194 D N 1.537 121.908 120.400 -0.047 0.000 2.443 194 D HA 0.134 4.774 4.640 0.000 0.000 0.239 194 D C 0.948 177.221 176.300 -0.043 0.000 1.136 194 D CA 0.116 54.090 54.000 -0.044 0.000 0.879 194 D CB 1.749 42.532 40.800 -0.028 0.000 1.195 194 D HN 0.699 nan 8.370 nan 0.000 0.443 195 L N 4.331 125.527 121.223 -0.046 0.000 1.997 195 L HA -0.293 4.047 4.340 0.000 0.000 0.216 195 L C 1.794 178.648 176.870 -0.026 0.000 1.074 195 L CA 1.997 56.815 54.840 -0.036 0.000 0.763 195 L CB -0.973 41.068 42.059 -0.029 0.000 0.890 195 L HN 0.485 nan 8.230 nan 0.000 0.434 196 N N -0.459 118.229 118.700 -0.019 0.000 2.096 196 N HA -0.263 4.477 4.740 0.000 0.000 0.195 196 N C 1.538 177.037 175.510 -0.019 0.000 1.017 196 N CA 2.129 55.170 53.050 -0.015 0.000 0.870 196 N CB -0.322 38.160 38.487 -0.007 0.000 1.024 196 N HN 0.519 nan 8.380 nan 0.000 0.434 197 D N -0.325 120.064 120.400 -0.017 0.000 2.097 197 D HA -0.039 4.601 4.640 0.000 0.000 0.197 197 D C 1.895 178.170 176.300 -0.041 0.000 0.984 197 D CA 1.344 55.338 54.000 -0.011 0.000 0.826 197 D CB -0.738 40.066 40.800 0.007 0.000 0.973 197 D HN 0.435 nan 8.370 nan 0.000 0.460 198 A N 0.881 123.674 122.820 -0.045 0.000 1.948 198 A HA -0.184 4.136 4.320 0.000 0.000 0.220 198 A C 2.548 180.092 177.584 -0.067 0.000 1.177 198 A CA 1.419 53.422 52.037 -0.057 0.000 0.636 198 A CB -0.822 18.152 19.000 -0.045 0.000 0.815 198 A HN 0.154 nan 8.150 nan 0.000 0.449 199 V N -0.130 119.752 119.914 -0.053 0.000 2.295 199 V HA -0.281 3.840 4.120 0.000 0.000 0.246 199 V C 2.752 178.796 176.094 -0.083 0.000 1.049 199 V CA 2.117 64.386 62.300 -0.051 0.000 1.024 199 V CB -0.745 31.060 31.823 -0.030 0.000 0.648 199 V HN 0.585 nan 8.190 nan 0.000 0.447 200 Q N -0.326 119.415 119.800 -0.099 0.000 2.061 200 Q HA -0.206 4.134 4.340 0.000 0.000 0.204 200 Q C 2.477 178.270 176.000 -0.345 0.000 0.984 200 Q CA 1.944 57.657 55.803 -0.149 0.000 0.846 200 Q CB -0.589 28.098 28.738 -0.085 0.000 0.902 200 Q HN 0.657 nan 8.270 nan 0.000 0.421 201 A N 1.153 123.694 122.820 -0.464 0.000 1.873 201 A HA -0.194 4.126 4.320 0.000 0.000 0.218 201 A C 2.212 179.623 177.584 -0.287 0.000 1.193 201 A CA 1.467 53.150 52.037 -0.589 0.000 0.629 201 A CB -0.858 17.961 19.000 -0.301 0.000 0.826 201 A HN 0.324 nan 8.150 nan 0.000 0.447 202 L N -1.027 120.096 121.223 -0.166 0.000 2.141 202 L HA -0.123 4.217 4.340 0.000 0.000 0.209 202 L C 2.753 179.577 176.870 -0.077 0.000 1.094 202 L CA 1.483 56.266 54.840 -0.096 0.000 0.763 202 L CB -0.831 41.196 42.059 -0.054 0.000 0.908 202 L HN 0.354 nan 8.230 nan 0.000 0.437 203 T N -0.570 113.931 114.554 -0.088 0.000 2.652 203 T HA -0.216 4.135 4.350 0.000 0.000 0.267 203 T C 1.370 176.042 174.700 -0.047 0.000 1.039 203 T CA 1.867 63.935 62.100 -0.053 0.000 1.153 203 T CB -0.285 68.553 68.868 -0.049 0.000 0.863 203 T HN 0.332 nan 8.240 nan 0.000 0.428 204 D N 0.645 120.991 120.400 -0.091 0.000 2.106 204 D HA -0.087 4.554 4.640 0.000 0.000 0.191 204 D C 1.915 178.202 176.300 -0.022 0.000 0.997 204 D CA 0.698 54.670 54.000 -0.046 0.000 0.834 204 D CB -0.385 40.376 40.800 -0.065 0.000 0.956 204 D HN 0.095 nan 8.370 nan 0.000 0.448 205 L N 0.285 121.480 121.223 -0.047 0.000 2.083 205 L HA 0.010 4.350 4.340 0.000 0.000 0.209 205 L C 2.201 179.068 176.870 -0.005 0.000 1.083 205 L CA 1.881 56.696 54.840 -0.041 0.000 0.752 205 L CB -0.901 41.115 42.059 -0.072 0.000 0.899 205 L HN 0.123 nan 8.230 nan 0.000 0.433 206 G N -0.901 107.908 108.800 0.016 0.000 2.422 206 G HA2 -0.218 3.742 3.960 0.000 0.000 0.218 206 G HA3 -0.218 3.742 3.960 0.000 0.000 0.218 206 G C 1.620 176.580 174.900 0.100 0.000 1.146 206 G CA 0.913 46.065 45.100 0.085 0.000 0.769 206 G HN 0.409 nan 8.290 nan 0.000 0.547 207 L N 0.036 121.290 121.223 0.052 0.000 2.046 207 L HA 0.001 4.342 4.340 0.000 0.000 0.208 207 L C 2.823 179.727 176.870 0.056 0.000 1.077 207 L CA 0.657 55.524 54.840 0.046 0.000 0.747 207 L CB -0.312 41.763 42.059 0.028 0.000 0.896 207 L HN 0.197 nan 8.230 nan 0.000 0.432 208 I N -1.224 119.377 120.570 0.051 0.000 2.264 208 I HA -0.343 3.827 4.170 0.000 0.000 0.248 208 I C 2.253 178.423 176.117 0.088 0.000 1.111 208 I CA 1.229 62.553 61.300 0.040 0.000 1.382 208 I CB -0.313 37.690 38.000 0.005 0.000 1.060 208 I HN 0.236 nan 8.210 nan 0.000 0.418 209 Y N 1.842 122.124 120.300 -0.031 0.000 2.632 209 Y HA -0.122 4.428 4.550 0.000 0.000 0.301 209 Y C 2.502 178.495 175.900 0.156 0.000 1.172 209 Y CA 1.051 59.165 58.100 0.023 0.000 1.328 209 Y CB -0.773 37.674 38.460 -0.023 0.000 1.016 209 Y HN 0.267 nan 8.280 nan 0.000 0.529 210 T N -3.651 110.959 114.554 0.093 0.000 3.023 210 T HA 0.187 4.537 4.350 0.000 0.000 0.266 210 T C 1.580 176.384 174.700 0.173 0.000 1.093 210 T CA 0.824 62.960 62.100 0.059 0.000 1.129 210 T CB -0.092 68.797 68.868 0.035 0.000 0.899 210 T HN 0.245 nan 8.240 nan 0.000 0.491 211 A N -0.275 122.639 122.820 0.156 0.000 2.377 211 A HA 0.546 4.866 4.320 0.000 0.000 0.209 211 A C 0.565 178.020 177.584 -0.215 0.000 1.359 211 A CA -0.332 51.773 52.037 0.114 0.000 1.026 211 A CB 0.652 19.678 19.000 0.042 0.000 1.224 211 A HN 0.393 nan 8.150 nan 0.000 0.528 212 K N -1.243 118.895 120.400 -0.436 0.000 2.556 212 K HA 0.406 4.726 4.320 0.000 0.000 0.274 212 K C -1.971 174.338 176.600 -0.485 0.000 0.966 212 K CA -0.686 55.111 56.287 -0.816 0.000 0.865 212 K CB 1.597 33.901 32.500 -0.327 0.000 1.444 212 K HN 0.056 nan 8.250 nan 0.000 0.433 213 Y N 3.259 123.272 120.300 -0.477 0.000 2.436 213 Y HA 0.249 4.799 4.550 0.001 0.000 0.343 213 Y C -2.106 173.773 175.900 -0.036 0.000 1.008 213 Y CA -1.472 56.641 58.100 0.022 0.000 1.241 213 Y CB 0.820 39.349 38.460 0.116 0.000 1.153 213 Y HN 0.378 nan 8.280 nan 0.000 0.521 214 P HA -0.023 nan 4.420 nan 0.000 0.264 214 P C -0.975 176.283 177.300 -0.069 0.000 1.193 214 P CA 0.332 63.308 63.100 -0.206 0.000 0.763 214 P CB 0.443 31.967 31.700 -0.294 0.000 0.810 215 N N 0.769 119.469 118.700 -0.000 0.000 2.619 215 N HA 0.174 4.915 4.740 0.000 0.000 0.294 215 N C 0.971 176.494 175.510 0.022 0.000 1.279 215 N CA -0.493 52.587 53.050 0.049 0.000 0.867 215 N CB -0.319 38.196 38.487 0.047 0.000 1.329 215 N HN 0.285 nan 8.380 nan 0.000 0.557 216 T N -2.072 112.500 114.554 0.030 0.000 2.699 216 T HA -0.237 4.113 4.350 0.000 0.000 0.268 216 T C 1.777 176.482 174.700 0.009 0.000 1.036 216 T CA 2.345 64.457 62.100 0.020 0.000 1.147 216 T CB -1.052 67.829 68.868 0.022 0.000 0.862 216 T HN 0.646 nan 8.240 nan 0.000 0.446 217 S N 1.848 117.552 115.700 0.006 0.000 2.399 217 S HA -0.147 4.323 4.470 0.000 0.000 0.231 217 S C 1.737 176.335 174.600 -0.002 0.000 1.022 217 S CA 1.162 59.363 58.200 0.001 0.000 0.983 217 S CB -0.556 62.644 63.200 -0.000 0.000 0.803 217 S HN 0.483 nan 8.310 nan 0.000 0.480 218 D N 1.148 121.545 120.400 -0.006 0.000 2.183 218 D HA 0.063 4.703 4.640 0.000 0.000 0.203 218 D C 1.825 178.120 176.300 -0.007 0.000 0.969 218 D CA 0.598 54.592 54.000 -0.011 0.000 0.842 218 D CB -0.245 40.541 40.800 -0.024 0.000 0.957 218 D HN 0.352 nan 8.370 nan 0.000 0.484 219 L N 0.903 122.121 121.223 -0.009 0.000 2.095 219 L HA -0.084 4.257 4.340 0.000 0.000 0.204 219 L C 1.823 178.695 176.870 0.003 0.000 1.080 219 L CA 1.394 56.231 54.840 -0.005 0.000 0.759 219 L CB -0.264 41.790 42.059 -0.008 0.000 0.914 219 L HN -0.198 nan 8.230 nan 0.000 0.439 220 D N -0.108 120.293 120.400 0.001 0.000 2.154 220 D HA -0.308 4.333 4.640 0.000 0.000 0.190 220 D C 2.327 178.626 176.300 -0.002 0.000 1.003 220 D CA 1.620 55.620 54.000 -0.000 0.000 0.849 220 D CB -0.018 40.782 40.800 -0.001 0.000 0.942 220 D HN 0.280 nan 8.370 nan 0.000 0.446 221 R N -0.136 120.363 120.500 -0.001 0.000 2.081 221 R HA -0.076 4.264 4.340 0.000 0.000 0.235 221 R C 2.708 179.010 176.300 0.003 0.000 1.131 221 R CA 0.853 56.952 56.100 -0.003 0.000 0.960 221 R CB -0.259 30.040 30.300 -0.001 0.000 0.856 221 R HN 0.236 nan 8.270 nan 0.000 0.436 222 L N -0.154 121.084 121.223 0.025 0.000 2.141 222 L HA -0.110 4.230 4.340 0.000 0.000 0.209 222 L C 2.164 179.070 176.870 0.060 0.000 1.094 222 L CA 1.433 56.318 54.840 0.075 0.000 0.763 222 L CB -0.436 41.685 42.059 0.104 0.000 0.908 222 L HN 0.269 nan 8.230 nan 0.000 0.437 223 T N -1.427 113.143 114.554 0.028 0.000 2.929 223 T HA -0.242 4.109 4.350 0.000 0.000 0.271 223 T C 1.794 176.482 174.700 -0.021 0.000 1.085 223 T CA 0.974 63.081 62.100 0.013 0.000 1.125 223 T CB -0.103 68.766 68.868 0.001 0.000 0.874 223 T HN 0.238 nan 8.240 nan 0.000 0.494 224 Q N 1.110 120.888 119.800 -0.038 0.000 2.167 224 Q HA -0.046 4.294 4.340 0.000 0.000 0.202 224 Q C 2.402 178.334 176.000 -0.113 0.000 0.970 224 Q CA 1.468 57.235 55.803 -0.060 0.000 0.855 224 Q CB -0.024 28.683 28.738 -0.051 0.000 0.911 224 Q HN 0.632 nan 8.270 nan 0.000 0.438 225 S N -1.476 114.108 115.700 -0.193 0.000 2.512 225 S HA 0.065 4.535 4.470 0.000 0.000 0.216 225 S C -0.034 174.157 174.600 -0.683 0.000 1.006 225 S CA -0.458 57.496 58.200 -0.409 0.000 0.915 225 S CB 0.323 63.244 63.200 -0.465 0.000 0.824 225 S HN 0.297 nan 8.310 nan 0.000 0.497 226 H N 0.984 120.039 119.070 -0.026 0.000 2.651 226 H HA 0.327 4.884 4.556 0.000 0.000 0.252 226 H C -2.773 172.532 175.328 -0.039 0.000 1.365 226 H CA -1.406 54.623 56.048 -0.031 0.000 1.539 226 H CB 1.234 30.978 29.762 -0.031 0.000 1.621 226 H HN 0.203 nan 8.280 nan 0.000 0.526 227 P HA -0.095 nan 4.420 nan 0.000 0.228 227 P C 1.649 178.940 177.300 -0.015 0.000 1.151 227 P CA 0.329 63.427 63.100 -0.003 0.000 0.770 227 P CB 0.312 32.000 31.700 -0.020 0.000 0.786 228 I N -0.863 119.701 120.570 -0.009 0.000 2.567 228 I HA -0.162 4.009 4.170 0.000 0.000 0.257 228 I C 1.585 177.655 176.117 -0.079 0.000 1.184 228 I CA 1.341 62.607 61.300 -0.056 0.000 1.451 228 I CB -0.693 37.274 38.000 -0.056 0.000 1.089 228 I HN -0.122 nan 8.210 nan 0.000 0.441 229 L N 0.678 121.881 121.223 -0.032 0.000 2.478 229 L HA -0.082 4.258 4.340 0.000 0.000 0.223 229 L C 1.799 178.645 176.870 -0.040 0.000 1.140 229 L CA 0.794 55.612 54.840 -0.036 0.000 0.842 229 L CB -0.959 41.101 42.059 0.001 0.000 0.953 229 L HN 0.415 nan 8.230 nan 0.000 0.452 230 N N -0.088 118.588 118.700 -0.040 0.000 2.453 230 N HA -0.205 4.535 4.740 0.000 0.000 0.183 230 N C 1.598 177.077 175.510 -0.051 0.000 1.041 230 N CA 1.086 54.115 53.050 -0.034 0.000 0.900 230 N CB -0.422 38.049 38.487 -0.027 0.000 0.961 230 N HN 0.291 nan 8.380 nan 0.000 0.443 231 M N -0.073 119.463 119.600 -0.107 0.000 2.446 231 M HA 0.055 4.535 4.480 0.000 0.000 0.263 231 M C -0.142 176.112 176.300 -0.076 0.000 1.066 231 M CA 0.681 55.880 55.300 -0.167 0.000 1.087 231 M CB -0.228 32.127 32.600 -0.409 0.000 1.406 231 M HN 0.086 nan 8.290 nan 0.000 0.459 232 I N 1.555 122.111 120.570 -0.023 0.000 2.452 232 I HA -0.043 4.127 4.170 0.000 0.000 0.287 232 I C -0.285 175.872 176.117 0.066 0.000 1.079 232 I CA -0.228 61.110 61.300 0.062 0.000 1.387 232 I CB 0.354 38.380 38.000 0.044 0.000 1.404 232 I HN 0.181 nan 8.210 nan 0.000 0.522 233 D N 2.763 123.223 120.400 0.100 0.000 2.365 233 D HA 0.116 4.756 4.640 0.000 0.000 0.237 233 D C 1.101 177.440 176.300 0.065 0.000 1.190 233 D CA -0.638 53.407 54.000 0.076 0.000 0.867 233 D CB 0.793 41.645 40.800 0.088 0.000 1.050 233 D HN 0.659 nan 8.370 nan 0.000 0.491 234 T N -0.473 114.110 114.554 0.049 0.000 3.088 234 T HA -0.045 4.305 4.350 0.000 0.000 0.259 234 T C 1.311 176.039 174.700 0.048 0.000 1.122 234 T CA 0.356 62.485 62.100 0.047 0.000 1.095 234 T CB 0.007 68.897 68.868 0.036 0.000 0.930 234 T HN 0.296 nan 8.240 nan 0.000 0.508 235 K N 0.403 120.828 120.400 0.041 0.000 2.370 235 K HA 0.181 4.501 4.320 0.000 0.000 0.194 235 K C 0.076 176.696 176.600 0.034 0.000 1.070 235 K CA -0.223 56.084 56.287 0.034 0.000 0.998 235 K CB 0.373 32.888 32.500 0.024 0.000 0.911 235 K HN 0.146 nan 8.250 nan 0.000 0.533 236 K N 2.330 122.754 120.400 0.039 0.000 2.511 236 K HA -0.043 4.277 4.320 0.000 0.000 0.280 236 K C 0.325 176.951 176.600 0.043 0.000 1.008 236 K CA 0.308 56.618 56.287 0.039 0.000 1.050 236 K CB 0.899 33.429 32.500 0.051 0.000 0.889 236 K HN 0.156 nan 8.250 nan 0.000 0.484 237 S N 0.384 116.103 115.700 0.031 0.000 2.730 237 S HA 0.145 4.615 4.470 0.000 0.000 0.284 237 S C 1.370 175.989 174.600 0.033 0.000 1.153 237 S CA -0.144 58.073 58.200 0.028 0.000 0.995 237 S CB 1.396 64.603 63.200 0.012 0.000 1.058 237 S HN 0.548 nan 8.310 nan 0.000 0.552 238 S N 0.460 116.179 115.700 0.032 0.000 2.442 238 S HA 0.019 4.489 4.470 0.000 0.000 0.236 238 S C 0.724 175.334 174.600 0.017 0.000 1.007 238 S CA 0.363 58.583 58.200 0.034 0.000 0.965 238 S CB -1.040 62.181 63.200 0.036 0.000 0.773 238 S HN 0.597 nan 8.310 nan 0.000 0.504 239 L N 1.823 123.047 121.223 0.002 0.000 2.439 239 L HA 0.321 4.661 4.340 0.000 0.000 0.261 239 L C 0.957 177.812 176.870 -0.025 0.000 1.153 239 L CA -0.368 54.460 54.840 -0.019 0.000 0.808 239 L CB -0.232 41.814 42.059 -0.022 0.000 1.126 239 L HN 0.144 nan 8.230 nan 0.000 0.460 240 N N 1.412 120.078 118.700 -0.057 0.000 2.707 240 N HA -0.229 4.511 4.740 0.000 0.000 0.253 240 N C -1.022 174.469 175.510 -0.032 0.000 0.998 240 N CA 1.238 54.246 53.050 -0.071 0.000 0.751 240 N CB -0.782 37.672 38.487 -0.055 0.000 0.920 240 N HN 0.596 nan 8.380 nan 0.000 0.539 241 I N -5.273 115.292 120.570 -0.008 0.000 3.434 241 I HA 0.684 4.854 4.170 0.000 0.000 0.317 241 I C -0.009 176.260 176.117 0.254 0.000 1.230 241 I CA -0.831 60.531 61.300 0.104 0.000 0.918 241 I CB 1.764 39.809 38.000 0.075 0.000 1.337 241 I HN 0.063 nan 8.210 nan 0.000 0.482 242 S N -0.385 115.478 115.700 0.271 0.000 2.806 242 S HA 0.643 5.113 4.470 0.000 0.000 0.315 242 S C 0.761 175.384 174.600 0.038 0.000 1.127 242 S CA -0.170 58.210 58.200 0.300 0.000 0.918 242 S CB 1.029 64.465 63.200 0.393 0.000 1.240 242 S HN 1.122 nan 8.310 nan 0.000 0.552 243 G N -0.802 107.896 108.800 -0.170 0.000 2.598 243 G HA2 0.030 3.990 3.960 0.000 0.000 0.215 243 G HA3 0.030 3.990 3.960 0.000 0.000 0.215 243 G C 0.291 174.869 174.900 -0.537 0.000 1.131 243 G CA 0.283 45.151 45.100 -0.387 0.000 0.785 243 G HN 0.699 nan 8.290 nan 0.000 0.539 244 Y N 0.386 120.618 120.300 -0.112 0.000 2.461 244 Y HA 0.261 4.811 4.550 0.000 0.000 0.277 244 Y C 0.597 176.254 175.900 -0.404 0.000 1.182 244 Y CA -0.793 57.179 58.100 -0.213 0.000 1.276 244 Y CB -0.268 38.124 38.460 -0.114 0.000 1.087 244 Y HN 0.102 nan 8.280 nan 0.000 0.519 245 N N -0.472 118.072 118.700 -0.260 0.000 2.430 245 N HA 0.358 5.098 4.740 0.000 0.000 0.298 245 N C -1.446 173.860 175.510 -0.341 0.000 1.130 245 N CA -0.679 52.200 53.050 -0.285 0.000 0.894 245 N CB 0.783 39.245 38.487 -0.041 0.000 1.209 245 N HN -0.127 nan 8.380 nan 0.000 0.503 246 F N 0.874 120.865 119.950 0.069 0.000 2.441 246 F HA 0.282 4.809 4.527 0.000 0.000 0.337 246 F C 0.657 176.480 175.800 0.038 0.000 1.182 246 F CA -0.852 57.177 58.000 0.049 0.000 1.279 246 F CB -0.365 38.662 39.000 0.045 0.000 1.614 246 F HN 0.325 nan 8.300 nan 0.000 0.574 247 S N 0.259 116.049 115.700 0.150 0.000 2.672 247 S HA 0.323 4.794 4.470 0.000 0.000 0.276 247 S C 1.048 175.706 174.600 0.098 0.000 1.207 247 S CA -0.799 57.466 58.200 0.110 0.000 1.002 247 S CB 1.560 64.807 63.200 0.078 0.000 0.998 247 S HN 0.392 nan 8.310 nan 0.000 0.542 248 L N 2.293 123.566 121.223 0.084 0.000 2.012 248 L HA 0.112 4.452 4.340 0.000 0.000 0.210 248 L C 2.451 179.344 176.870 0.039 0.000 1.073 248 L CA 2.496 57.370 54.840 0.057 0.000 0.748 248 L CB -1.690 40.414 42.059 0.076 0.000 0.891 248 L HN 1.021 nan 8.230 nan 0.000 0.431 249 G N -1.538 107.323 108.800 0.101 0.000 2.462 249 G HA2 -0.218 3.743 3.960 0.000 0.000 0.220 249 G HA3 -0.218 3.743 3.960 0.000 0.000 0.220 249 G C 1.543 176.477 174.900 0.056 0.000 1.121 249 G CA 0.862 46.032 45.100 0.118 0.000 0.758 249 G HN 0.628 nan 8.290 nan 0.000 0.559 250 A N 0.992 123.844 122.820 0.055 0.000 1.898 250 A HA 0.466 4.786 4.320 0.000 0.000 0.214 250 A C 2.797 180.402 177.584 0.034 0.000 1.183 250 A CA 1.777 53.844 52.037 0.049 0.000 0.622 250 A CB -0.718 18.313 19.000 0.051 0.000 0.824 250 A HN 0.676 nan 8.150 nan 0.000 0.444 251 A N -0.405 122.434 122.820 0.031 0.000 1.933 251 A HA -0.023 4.297 4.320 0.000 0.000 0.218 251 A C 2.203 179.746 177.584 -0.068 0.000 1.175 251 A CA 1.812 53.851 52.037 0.003 0.000 0.628 251 A CB -0.919 18.084 19.000 0.004 0.000 0.814 251 A HN 0.363 nan 8.150 nan 0.000 0.444 252 V N 0.193 120.018 119.914 -0.147 0.000 2.343 252 V HA -0.266 3.854 4.120 0.000 0.000 0.247 252 V C 2.553 178.517 176.094 -0.217 0.000 1.051 252 V CA 2.378 64.475 62.300 -0.339 0.000 1.036 252 V CB -0.578 30.865 31.823 -0.634 0.000 0.654 252 V HN 0.677 nan 8.190 nan 0.000 0.451 253 K N 0.084 120.441 120.400 -0.072 0.000 2.026 253 K HA -0.169 4.151 4.320 0.000 0.000 0.208 253 K C 2.200 178.833 176.600 0.054 0.000 1.048 253 K CA 1.571 57.886 56.287 0.046 0.000 0.929 253 K CB -0.294 32.264 32.500 0.097 0.000 0.713 253 K HN 0.426 nan 8.250 nan 0.000 0.439 254 A N 0.791 123.629 122.820 0.029 0.000 1.902 254 A HA -0.064 4.256 4.320 0.000 0.000 0.217 254 A C 2.353 179.950 177.584 0.022 0.000 1.181 254 A CA 1.852 53.905 52.037 0.027 0.000 0.623 254 A CB -1.197 17.818 19.000 0.024 0.000 0.818 254 A HN 0.548 nan 8.150 nan 0.000 0.443 255 G N -0.234 108.571 108.800 0.008 0.000 2.446 255 G HA2 -0.073 3.887 3.960 0.000 0.000 0.217 255 G HA3 -0.073 3.887 3.960 0.000 0.000 0.217 255 G C 1.793 176.734 174.900 0.069 0.000 1.168 255 G CA 1.801 46.911 45.100 0.017 0.000 0.771 255 G HN 0.841 nan 8.290 nan 0.000 0.551 256 A N 0.388 123.288 122.820 0.134 0.000 1.870 256 A HA -0.238 4.083 4.320 0.000 0.000 0.219 256 A C 2.555 180.185 177.584 0.076 0.000 1.224 256 A CA 2.170 54.304 52.037 0.161 0.000 0.650 256 A CB -1.310 17.825 19.000 0.225 0.000 0.836 256 A HN 0.512 nan 8.150 nan 0.000 0.454 257 C N -0.458 118.876 119.300 0.058 0.000 2.409 257 C HA -0.086 4.374 4.460 0.000 0.000 0.288 257 C C 2.637 177.636 174.990 0.016 0.000 1.395 257 C CA 1.171 60.207 59.018 0.030 0.000 1.792 257 C CB -1.306 26.444 27.740 0.018 0.000 1.847 257 C HN 0.554 nan 8.230 nan 0.000 0.534 258 M N 0.035 119.646 119.600 0.018 0.000 2.506 258 M HA 0.178 4.659 4.480 0.000 0.000 0.260 258 M C 0.850 177.155 176.300 0.009 0.000 1.104 258 M CA 0.744 56.048 55.300 0.007 0.000 1.112 258 M CB -0.852 31.747 32.600 -0.002 0.000 1.401 258 M HN 0.311 nan 8.290 nan 0.000 0.473 259 L N 0.113 121.346 121.223 0.017 0.000 2.453 259 L HA 0.039 4.379 4.340 0.000 0.000 0.261 259 L C 1.180 178.058 176.870 0.012 0.000 1.179 259 L CA -0.402 54.447 54.840 0.015 0.000 0.813 259 L CB 0.321 42.392 42.059 0.020 0.000 1.110 259 L HN 0.042 nan 8.230 nan 0.000 0.466 260 D N 1.237 121.643 120.400 0.010 0.000 2.087 260 D HA -0.070 4.570 4.640 0.000 0.000 0.210 260 D C 1.447 177.753 176.300 0.010 0.000 0.973 260 D CA 1.727 55.733 54.000 0.010 0.000 0.882 260 D CB -0.123 40.682 40.800 0.008 0.000 1.019 260 D HN 0.712 nan 8.370 nan 0.000 0.450 261 G N -1.753 107.052 108.800 0.008 0.000 2.561 261 G HA2 0.333 4.293 3.960 0.000 0.000 0.208 261 G HA3 0.333 4.293 3.960 0.000 0.000 0.208 261 G C 1.005 175.907 174.900 0.004 0.000 1.510 261 G CA 1.102 46.206 45.100 0.007 0.000 0.941 261 G HN 0.658 nan 8.290 nan 0.000 0.478 262 G N -0.386 108.413 108.800 -0.002 0.000 4.731 262 G HA2 -0.225 3.735 3.960 0.000 0.000 0.266 262 G HA3 -0.225 3.735 3.960 0.000 0.000 0.266 262 G C 0.599 175.483 174.900 -0.025 0.000 1.635 262 G CA 0.834 45.927 45.100 -0.012 0.000 1.229 262 G HN 1.559 nan 8.290 nan 0.000 0.663 263 N N -1.338 117.347 118.700 -0.024 0.000 3.102 263 N HA -0.093 4.647 4.740 0.000 0.000 0.228 263 N C 0.327 175.802 175.510 -0.057 0.000 0.990 263 N CA 1.120 54.151 53.050 -0.031 0.000 0.969 263 N CB -1.048 37.417 38.487 -0.037 0.000 1.081 263 N HN 0.623 nan 8.380 nan 0.000 0.541 264 M N 0.900 120.464 119.600 -0.061 0.000 2.245 264 M HA 0.124 4.604 4.480 0.000 0.000 0.344 264 M C 1.743 177.975 176.300 -0.113 0.000 1.170 264 M CA 0.237 55.478 55.300 -0.099 0.000 1.135 264 M CB 0.072 32.640 32.600 -0.053 0.000 1.574 264 M HN 0.147 nan 8.290 nan 0.000 0.452 265 L N 1.606 122.706 121.223 -0.206 0.000 2.376 265 L HA -0.149 4.191 4.340 0.000 0.000 0.219 265 L C 1.553 178.077 176.870 -0.577 0.000 1.133 265 L CA 0.755 55.399 54.840 -0.327 0.000 0.816 265 L CB -0.324 41.504 42.059 -0.385 0.000 0.933 265 L HN 0.657 nan 8.230 nan 0.000 0.449 266 E N -0.503 119.431 120.200 -0.442 0.000 2.274 266 E HA -0.128 4.222 4.350 0.000 0.000 0.194 266 E C 2.010 178.633 176.600 0.038 0.000 0.996 266 E CA 1.331 57.580 56.400 -0.253 0.000 0.840 266 E CB -0.111 29.572 29.700 -0.028 0.000 0.772 266 E HN 0.425 nan 8.360 nan 0.000 0.491 267 T N -1.751 112.826 114.554 0.039 0.000 3.107 267 T HA 0.186 4.536 4.350 0.000 0.000 0.249 267 T C 0.720 175.562 174.700 0.236 0.000 1.096 267 T CA -0.253 61.933 62.100 0.144 0.000 1.012 267 T CB -0.355 68.571 68.868 0.097 0.000 0.977 267 T HN -0.054 nan 8.240 nan 0.000 0.527 268 I N 1.976 122.667 120.570 0.202 0.000 2.556 268 I HA 0.234 4.404 4.170 0.000 0.000 0.284 268 I C 0.426 176.661 176.117 0.196 0.000 1.114 268 I CA -0.214 61.206 61.300 0.201 0.000 1.418 268 I CB 0.602 38.701 38.000 0.166 0.000 1.394 268 I HN 0.085 nan 8.210 nan 0.000 0.552 269 K N 5.983 126.431 120.400 0.080 0.000 2.244 269 K HA 0.548 4.869 4.320 0.000 0.000 0.260 269 K C -1.300 175.194 176.600 -0.177 0.000 0.951 269 K CA -0.596 55.555 56.287 -0.227 0.000 0.826 269 K CB 2.202 34.451 32.500 -0.419 0.000 1.108 269 K HN 0.424 nan 8.250 nan 0.000 0.433 270 V N 3.416 123.178 119.914 -0.254 0.000 2.483 270 V HA 0.532 4.652 4.120 0.000 0.000 0.295 270 V C -0.752 175.213 176.094 -0.215 0.000 1.035 270 V CA -0.124 62.056 62.300 -0.199 0.000 0.896 270 V CB 1.650 33.370 31.823 -0.172 0.000 0.986 270 V HN 0.968 nan 8.190 nan 0.000 0.447 271 S N 5.233 120.846 115.700 -0.144 0.000 2.599 271 S HA 0.659 5.130 4.470 0.000 0.000 0.294 271 S C -2.384 172.162 174.600 -0.089 0.000 1.094 271 S CA -1.494 56.633 58.200 -0.122 0.000 0.931 271 S CB 1.923 65.070 63.200 -0.089 0.000 1.093 271 S HN 0.515 nan 8.310 nan 0.000 0.488 272 P HA -0.060 nan 4.420 nan 0.000 0.226 272 P C 1.135 178.412 177.300 -0.039 0.000 1.146 272 P CA 0.964 64.029 63.100 -0.058 0.000 0.773 272 P CB 0.078 31.747 31.700 -0.051 0.000 0.772 273 Q N -1.309 118.473 119.800 -0.030 0.000 2.163 273 Q HA -0.023 4.317 4.340 0.000 0.000 0.198 273 Q C 1.873 177.880 176.000 0.012 0.000 0.954 273 Q CA 1.964 57.763 55.803 -0.007 0.000 0.851 273 Q CB -0.887 27.851 28.738 0.000 0.000 0.928 273 Q HN 0.373 nan 8.270 nan 0.000 0.459 274 T N -2.489 112.071 114.554 0.011 0.000 3.014 274 T HA 0.059 4.410 4.350 0.000 0.000 0.250 274 T C 1.754 176.412 174.700 -0.070 0.000 1.060 274 T CA 0.400 62.529 62.100 0.048 0.000 1.040 274 T CB -0.020 68.930 68.868 0.137 0.000 0.971 274 T HN 0.014 nan 8.240 nan 0.000 0.497 275 M N 2.844 122.390 119.600 -0.090 0.000 2.144 275 M HA -0.125 4.355 4.480 0.000 0.000 0.260 275 M C 0.921 177.161 176.300 -0.099 0.000 1.067 275 M CA 1.893 57.122 55.300 -0.119 0.000 1.095 275 M CB -0.706 31.838 32.600 -0.093 0.000 1.365 275 M HN 0.060 nan 8.290 nan 0.000 0.406 276 D N -0.370 119.996 120.400 -0.057 0.000 2.194 276 D HA 0.067 4.707 4.640 0.000 0.000 0.204 276 D C 2.054 178.340 176.300 -0.023 0.000 0.964 276 D CA 1.434 55.414 54.000 -0.033 0.000 0.846 276 D CB -0.651 40.141 40.800 -0.014 0.000 0.962 276 D HN 0.578 nan 8.370 nan 0.000 0.490 277 G N 0.709 109.505 108.800 -0.006 0.000 2.404 277 G HA2 -0.193 3.767 3.960 0.000 0.000 0.215 277 G HA3 -0.193 3.767 3.960 0.000 0.000 0.215 277 G C 1.662 176.561 174.900 -0.001 0.000 1.174 277 G CA 0.366 45.501 45.100 0.058 0.000 0.780 277 G HN 0.218 nan 8.290 nan 0.000 0.537 278 I N 0.549 120.968 120.570 -0.251 0.000 2.118 278 I HA -0.223 3.948 4.170 0.000 0.000 0.241 278 I C 2.788 178.822 176.117 -0.139 0.000 1.070 278 I CA 0.949 62.005 61.300 -0.406 0.000 1.327 278 I CB -0.335 37.326 38.000 -0.566 0.000 1.034 278 I HN 0.117 nan 8.210 nan 0.000 0.405 279 L N 0.400 121.565 121.223 -0.097 0.000 2.013 279 L HA -0.279 4.062 4.340 0.000 0.000 0.212 279 L C 2.632 179.504 176.870 0.002 0.000 1.073 279 L CA 1.548 56.371 54.840 -0.027 0.000 0.753 279 L CB -0.629 41.417 42.059 -0.022 0.000 0.890 279 L HN 0.215 nan 8.230 nan 0.000 0.432 280 K N 0.152 120.553 120.400 0.002 0.000 2.074 280 K HA -0.172 4.148 4.320 0.000 0.000 0.209 280 K C 2.106 178.717 176.600 0.018 0.000 1.048 280 K CA 2.053 58.349 56.287 0.015 0.000 0.926 280 K CB -0.266 32.248 32.500 0.023 0.000 0.713 280 K HN 0.133 nan 8.250 nan 0.000 0.444 281 S N 0.272 115.991 115.700 0.032 0.000 2.368 281 S HA -0.053 4.417 4.470 0.000 0.000 0.224 281 S C 1.907 176.518 174.600 0.019 0.000 1.029 281 S CA 1.409 59.635 58.200 0.043 0.000 0.988 281 S CB -0.341 62.919 63.200 0.100 0.000 0.838 281 S HN 0.288 nan 8.310 nan 0.000 0.462 282 I N 1.562 122.147 120.570 0.025 0.000 2.163 282 I HA -0.208 3.962 4.170 0.000 0.000 0.243 282 I C 2.109 178.213 176.117 -0.022 0.000 1.085 282 I CA 1.146 62.467 61.300 0.035 0.000 1.347 282 I CB -0.402 37.665 38.000 0.112 0.000 1.044 282 I HN 0.237 nan 8.210 nan 0.000 0.408 283 L N 0.627 121.848 121.223 -0.004 0.000 2.079 283 L HA -0.256 4.084 4.340 0.000 0.000 0.210 283 L C 2.643 179.464 176.870 -0.082 0.000 1.081 283 L CA 1.500 56.313 54.840 -0.045 0.000 0.752 283 L CB -0.600 41.456 42.059 -0.004 0.000 0.896 283 L HN 0.289 nan 8.230 nan 0.000 0.433 284 K N 0.154 120.522 120.400 -0.053 0.000 2.063 284 K HA -0.170 4.150 4.320 0.000 0.000 0.208 284 K C 1.900 178.441 176.600 -0.098 0.000 1.048 284 K CA 1.599 57.851 56.287 -0.058 0.000 0.928 284 K CB 0.016 32.499 32.500 -0.028 0.000 0.713 284 K HN 0.097 nan 8.250 nan 0.000 0.442 285 V N 1.682 121.527 119.914 -0.115 0.000 2.379 285 V HA -0.188 3.932 4.120 0.000 0.000 0.245 285 V C 2.456 178.371 176.094 -0.297 0.000 1.044 285 V CA 1.741 63.941 62.300 -0.167 0.000 1.036 285 V CB -0.545 31.200 31.823 -0.131 0.000 0.664 285 V HN 0.400 nan 8.190 nan 0.000 0.453 286 K N 0.588 120.757 120.400 -0.385 0.000 2.052 286 K HA -0.332 3.988 4.320 0.000 0.000 0.215 286 K C 2.304 178.681 176.600 -0.373 0.000 1.053 286 K CA 2.481 58.430 56.287 -0.563 0.000 0.934 286 K CB -0.195 31.926 32.500 -0.632 0.000 0.717 286 K HN 0.410 nan 8.250 nan 0.000 0.450 287 K N -0.341 119.917 120.400 -0.236 0.000 2.025 287 K HA -0.078 4.242 4.320 0.000 0.000 0.207 287 K C 1.998 178.515 176.600 -0.138 0.000 1.049 287 K CA 1.136 57.330 56.287 -0.156 0.000 0.933 287 K CB -0.173 32.266 32.500 -0.102 0.000 0.714 287 K HN 0.222 nan 8.250 nan 0.000 0.438 288 A N 0.790 123.529 122.820 -0.136 0.000 1.933 288 A HA -0.098 4.222 4.320 0.000 0.000 0.218 288 A C 1.870 179.386 177.584 -0.115 0.000 1.175 288 A CA 1.257 53.233 52.037 -0.102 0.000 0.628 288 A CB -0.296 18.653 19.000 -0.085 0.000 0.814 288 A HN 0.364 nan 8.150 nan 0.000 0.444 289 L N -1.676 119.427 121.223 -0.198 0.000 2.693 289 L HA 0.247 4.587 4.340 0.000 0.000 0.235 289 L C 1.380 178.109 176.870 -0.234 0.000 1.127 289 L CA 0.386 55.094 54.840 -0.220 0.000 0.914 289 L CB 0.166 42.015 42.059 -0.351 0.000 1.193 289 L HN 0.561 nan 8.230 nan 0.000 0.502 290 G N 1.358 110.022 108.800 -0.226 0.000 2.273 290 G HA2 -0.307 3.654 3.960 0.000 0.000 0.280 290 G HA3 -0.307 3.654 3.960 0.000 0.000 0.280 290 G C 0.289 175.063 174.900 -0.209 0.000 1.047 290 G CA 0.063 45.081 45.100 -0.137 0.000 0.869 290 G HN 0.253 nan 8.290 nan 0.000 0.502 291 M N -0.635 118.570 119.600 -0.659 0.000 2.245 291 M HA 0.540 5.020 4.480 0.000 0.000 0.344 291 M C 0.625 176.669 176.300 -0.427 0.000 1.170 291 M CA 0.299 54.914 55.300 -1.141 0.000 1.135 291 M CB 0.292 31.988 32.600 -1.506 0.000 1.574 291 M HN 0.436 nan 8.290 nan 0.000 0.452 292 F N 0.481 120.370 119.950 -0.103 0.000 2.613 292 F HA 0.705 5.232 4.527 0.001 0.000 0.314 292 F C -0.979 175.061 175.800 0.401 0.000 1.075 292 F CA -1.579 56.519 58.000 0.164 0.000 0.945 292 F CB 0.724 39.810 39.000 0.144 0.000 1.310 292 F HN 0.210 nan 8.300 nan 0.000 0.467 293 I N 2.410 123.303 120.570 0.538 0.000 2.441 293 I HA 0.186 4.357 4.170 0.000 0.000 0.287 293 I C 0.626 177.027 176.117 0.473 0.000 1.049 293 I CA 0.083 61.602 61.300 0.365 0.000 1.381 293 I CB 0.993 39.122 38.000 0.215 0.000 1.409 293 I HN 0.840 nan 8.210 nan 0.000 0.523 294 S N 4.327 120.258 115.700 0.386 0.000 2.617 294 S HA 0.165 4.635 4.470 0.000 0.000 0.269 294 S C 0.574 175.313 174.600 0.231 0.000 1.292 294 S CA -0.445 57.988 58.200 0.388 0.000 1.010 294 S CB 1.039 64.420 63.200 0.303 0.000 0.944 294 S HN 0.660 nan 8.310 nan 0.000 0.536 295 D N 0.693 121.216 120.400 0.205 0.000 2.402 295 D HA 0.136 4.776 4.640 0.000 0.000 0.216 295 D C -0.136 176.222 176.300 0.097 0.000 1.128 295 D CA -0.159 53.935 54.000 0.156 0.000 0.833 295 D CB -0.331 40.612 40.800 0.239 0.000 0.971 295 D HN 0.372 nan 8.370 nan 0.000 0.503 296 T N 2.641 117.255 114.554 0.100 0.000 2.743 296 T HA 0.397 4.747 4.350 0.000 0.000 0.293 296 T C -2.532 172.191 174.700 0.038 0.000 0.945 296 T CA -1.212 60.927 62.100 0.065 0.000 1.030 296 T CB 1.689 70.603 68.868 0.077 0.000 0.912 296 T HN -0.003 nan 8.240 nan 0.000 0.483 297 P HA 0.488 nan 4.420 nan 0.000 0.272 297 P C 0.779 178.077 177.300 -0.004 0.000 1.223 297 P CA 0.490 63.587 63.100 -0.004 0.000 0.784 297 P CB 0.655 32.347 31.700 -0.014 0.000 0.923 298 G N 0.827 109.619 108.800 -0.014 0.000 2.545 298 G HA2 -0.127 3.834 3.960 0.000 0.000 0.211 298 G HA3 -0.127 3.834 3.960 0.000 0.000 0.211 298 G C -0.868 174.020 174.900 -0.021 0.000 1.167 298 G CA -0.653 44.437 45.100 -0.017 0.000 1.151 298 G HN 0.503 nan 8.290 nan 0.000 0.581 299 E N 1.040 121.229 120.200 -0.018 0.000 2.398 299 E HA 0.412 4.763 4.350 0.000 0.000 0.263 299 E C 0.480 177.068 176.600 -0.018 0.000 1.046 299 E CA -0.038 56.349 56.400 -0.022 0.000 0.908 299 E CB 0.543 30.226 29.700 -0.029 0.000 0.963 299 E HN 0.385 nan 8.360 nan 0.000 0.431 300 R N 2.215 122.706 120.500 -0.015 0.000 2.349 300 R HA 0.111 4.451 4.340 0.000 0.000 0.299 300 R C 0.089 176.391 176.300 0.003 0.000 1.027 300 R CA -0.666 55.434 56.100 -0.000 0.000 0.958 300 R CB 0.475 30.779 30.300 0.006 0.000 1.047 300 R HN 0.548 nan 8.270 nan 0.000 0.468 301 N N 3.000 121.707 118.700 0.012 0.000 2.424 301 N HA 0.104 4.844 4.740 0.000 0.000 0.257 301 N C -2.167 173.417 175.510 0.125 0.000 1.250 301 N CA -1.457 51.597 53.050 0.006 0.000 0.946 301 N CB 0.341 38.790 38.487 -0.063 0.000 1.175 301 N HN 0.121 nan 8.380 nan 0.000 0.477 302 P HA -0.131 nan 4.420 nan 0.000 0.218 302 P C 0.875 178.375 177.300 0.333 0.000 1.148 302 P CA 1.047 64.308 63.100 0.269 0.000 0.822 302 P CB -0.159 31.713 31.700 0.288 0.000 0.784 303 Y N 1.329 121.783 120.300 0.257 0.000 2.145 303 Y HA -0.183 4.367 4.550 0.000 0.000 0.286 303 Y C 2.021 177.990 175.900 0.115 0.000 1.145 303 Y CA 1.464 59.641 58.100 0.129 0.000 1.148 303 Y CB -0.897 37.576 38.460 0.021 0.000 0.981 303 Y HN -0.007 nan 8.280 nan 0.000 0.507 304 E N -0.255 119.963 120.200 0.029 0.000 2.058 304 E HA -0.274 4.076 4.350 0.000 0.000 0.194 304 E C 2.061 178.661 176.600 -0.000 0.000 0.997 304 E CA 1.430 57.789 56.400 -0.068 0.000 0.801 304 E CB -0.326 29.382 29.700 0.014 0.000 0.746 304 E HN 0.417 nan 8.360 nan 0.000 0.450 305 N N 1.050 119.789 118.700 0.066 0.000 2.039 305 N HA -0.159 4.581 4.740 0.000 0.000 0.193 305 N C 1.750 177.285 175.510 0.042 0.000 1.044 305 N CA 1.098 54.195 53.050 0.079 0.000 0.847 305 N CB -0.210 38.352 38.487 0.125 0.000 1.030 305 N HN 0.133 nan 8.380 nan 0.000 0.422 306 I N -0.404 120.223 120.570 0.095 0.000 2.226 306 I HA -0.220 3.950 4.170 0.000 0.000 0.245 306 I C 1.944 178.056 176.117 -0.008 0.000 1.100 306 I CA 0.838 62.189 61.300 0.086 0.000 1.374 306 I CB -0.049 38.092 38.000 0.235 0.000 1.057 306 I HN 0.226 nan 8.210 nan 0.000 0.413 307 L N -0.121 121.063 121.223 -0.066 0.000 2.056 307 L HA -0.250 4.091 4.340 0.000 0.000 0.207 307 L C 2.294 179.120 176.870 -0.074 0.000 1.078 307 L CA 1.837 56.604 54.840 -0.122 0.000 0.749 307 L CB -0.957 40.898 42.059 -0.339 0.000 0.901 307 L HN 0.273 nan 8.230 nan 0.000 0.433 308 Y N 0.474 120.709 120.300 -0.108 0.000 2.128 308 Y HA -0.285 4.265 4.550 0.000 0.000 0.284 308 Y C 2.511 178.355 175.900 -0.094 0.000 1.154 308 Y CA 2.111 60.174 58.100 -0.063 0.000 1.149 308 Y CB -0.104 38.338 38.460 -0.030 0.000 0.976 308 Y HN 0.138 nan 8.280 nan 0.000 0.505 309 K N -0.298 120.039 120.400 -0.106 0.000 2.097 309 K HA -0.145 4.176 4.320 0.000 0.000 0.206 309 K C 2.012 178.475 176.600 -0.227 0.000 1.049 309 K CA 1.712 57.872 56.287 -0.212 0.000 0.933 309 K CB -0.188 32.063 32.500 -0.415 0.000 0.717 309 K HN 0.389 nan 8.250 nan 0.000 0.442 310 I N 0.201 120.660 120.570 -0.185 0.000 2.277 310 I HA -0.249 3.921 4.170 0.000 0.000 0.243 310 I C 2.119 178.129 176.117 -0.178 0.000 1.094 310 I CA 0.669 61.880 61.300 -0.148 0.000 1.393 310 I CB -0.230 37.710 38.000 -0.099 0.000 1.078 310 I HN 0.175 nan 8.210 nan 0.000 0.417 311 C N 0.821 119.997 119.300 -0.207 0.000 2.430 311 C HA -0.091 4.369 4.460 0.000 0.000 0.288 311 C C 2.632 177.443 174.990 -0.298 0.000 1.448 311 C CA 0.241 59.130 59.018 -0.216 0.000 1.784 311 C CB -1.243 26.390 27.740 -0.179 0.000 1.776 311 C HN 0.467 nan 8.230 nan 0.000 0.547 312 L N 0.726 121.722 121.223 -0.379 0.000 2.056 312 L HA 0.072 4.412 4.340 0.000 0.000 0.207 312 L C 0.968 177.703 176.870 -0.225 0.000 1.078 312 L CA 1.898 56.517 54.840 -0.368 0.000 0.749 312 L CB -0.131 41.712 42.059 -0.359 0.000 0.901 312 L HN 0.339 nan 8.230 nan 0.000 0.433 313 S N -2.706 112.887 115.700 -0.178 0.000 2.556 313 S HA 0.507 4.977 4.470 0.000 0.000 0.280 313 S C 0.426 174.951 174.600 -0.124 0.000 1.141 313 S CA -0.326 57.794 58.200 -0.132 0.000 0.883 313 S CB 0.873 64.010 63.200 -0.106 0.000 1.103 313 S HN 0.214 nan 8.310 nan 0.000 0.453 314 G N 1.339 110.072 108.800 -0.112 0.000 2.880 314 G HA2 0.213 4.173 3.960 0.000 0.000 0.209 314 G HA3 0.213 4.173 3.960 0.000 0.000 0.209 314 G C -0.111 174.712 174.900 -0.128 0.000 1.157 314 G CA 0.292 45.325 45.100 -0.112 0.000 0.779 314 G HN 0.684 nan 8.290 nan 0.000 0.539 315 D N -0.793 119.528 120.400 -0.130 0.000 2.473 315 D HA 0.542 5.183 4.640 0.000 0.000 0.253 315 D C 0.342 176.535 176.300 -0.178 0.000 1.233 315 D CA 0.278 54.178 54.000 -0.166 0.000 0.908 315 D CB 0.972 41.698 40.800 -0.123 0.000 1.170 315 D HN 0.277 nan 8.370 nan 0.000 0.558 316 G N 2.409 111.024 108.800 -0.308 0.000 2.356 316 G HA2 0.057 4.017 3.960 0.000 0.000 0.266 316 G HA3 0.057 4.017 3.960 0.000 0.000 0.266 316 G C -1.548 173.102 174.900 -0.416 0.000 1.312 316 G CA -0.919 43.993 45.100 -0.314 0.000 0.922 316 G HN 0.204 nan 8.290 nan 0.000 0.480 317 W N 1.428 122.746 121.300 0.030 0.000 2.374 317 W HA 0.386 5.046 4.660 0.001 0.000 0.302 317 W C -2.057 174.509 176.519 0.077 0.000 0.942 317 W CA -1.354 56.031 57.345 0.066 0.000 1.666 317 W CB 1.497 31.002 29.460 0.074 0.000 1.593 317 W HN 0.338 nan 8.180 nan 0.000 0.412 318 P HA -0.277 nan 4.420 nan 0.000 0.219 318 P C 1.130 178.432 177.300 0.003 0.000 1.153 318 P CA 2.171 65.298 63.100 0.045 0.000 0.865 318 P CB 0.133 31.824 31.700 -0.014 0.000 0.788 319 Y N -1.460 118.921 120.300 0.135 0.000 2.286 319 Y HA -0.003 4.547 4.550 0.000 0.000 0.293 319 Y C 2.066 178.036 175.900 0.117 0.000 1.124 319 Y CA 0.875 59.052 58.100 0.129 0.000 1.178 319 Y CB -0.274 38.268 38.460 0.138 0.000 1.010 319 Y HN -0.026 nan 8.280 nan 0.000 0.536 320 I N -4.365 116.369 120.570 0.274 0.000 4.670 320 I HA 0.517 4.688 4.170 0.000 0.000 0.339 320 I C 0.705 176.879 176.117 0.095 0.000 1.310 320 I CA -0.626 60.774 61.300 0.166 0.000 1.288 320 I CB -0.327 37.753 38.000 0.134 0.000 1.427 320 I HN -0.167 nan 8.210 nan 0.000 0.494 321 A N 1.193 124.111 122.820 0.164 0.000 2.406 321 A HA 0.521 4.841 4.320 0.000 0.000 0.243 321 A C 0.657 178.280 177.584 0.066 0.000 1.082 321 A CA 0.338 52.450 52.037 0.125 0.000 0.786 321 A CB 0.027 19.194 19.000 0.278 0.000 1.029 321 A HN 0.383 nan 8.150 nan 0.000 0.495 322 S N -0.484 115.235 115.700 0.032 0.000 2.563 322 S HA 0.060 4.530 4.470 0.000 0.000 0.294 322 S C 1.003 175.618 174.600 0.024 0.000 1.279 322 S CA 0.296 58.502 58.200 0.011 0.000 1.069 322 S CB -0.101 63.100 63.200 0.003 0.000 0.828 322 S HN 0.639 nan 8.310 nan 0.000 0.497 323 R N 1.528 122.029 120.500 0.001 0.000 2.509 323 R HA 0.105 4.446 4.340 0.000 0.000 0.297 323 R C 1.631 177.917 176.300 -0.023 0.000 0.951 323 R CA 0.630 56.730 56.100 -0.001 0.000 1.103 323 R CB 0.277 30.581 30.300 0.007 0.000 1.283 323 R HN 0.816 nan 8.270 nan 0.000 0.534 324 T N -3.326 111.207 114.554 -0.036 0.000 3.129 324 T HA 0.107 4.457 4.350 0.000 0.000 0.251 324 T C 1.435 176.103 174.700 -0.053 0.000 1.117 324 T CA 0.468 62.532 62.100 -0.059 0.000 1.034 324 T CB 0.361 69.182 68.868 -0.079 0.000 0.968 324 T HN -0.152 nan 8.240 nan 0.000 0.526 325 S N 0.648 116.326 115.700 -0.036 0.000 2.548 325 S HA 0.375 4.846 4.470 0.000 0.000 0.215 325 S C 0.630 175.207 174.600 -0.038 0.000 0.976 325 S CA -0.360 57.820 58.200 -0.034 0.000 0.908 325 S CB -0.136 63.051 63.200 -0.020 0.000 0.781 325 S HN 0.481 nan 8.310 nan 0.000 0.519 326 I N 3.569 124.113 120.570 -0.042 0.000 2.441 326 I HA 0.166 4.336 4.170 0.000 0.000 0.287 326 I C 0.873 176.951 176.117 -0.064 0.000 1.049 326 I CA 0.131 61.399 61.300 -0.054 0.000 1.381 326 I CB 0.810 38.774 38.000 -0.059 0.000 1.409 326 I HN 0.153 nan 8.210 nan 0.000 0.523 327 T N 1.797 116.308 114.554 -0.072 0.000 2.945 327 T HA 0.796 5.146 4.350 0.000 0.000 0.286 327 T C 0.144 174.779 174.700 -0.109 0.000 1.025 327 T CA -0.226 61.828 62.100 -0.078 0.000 1.039 327 T CB 2.005 70.833 68.868 -0.065 0.000 1.068 327 T HN 1.162 nan 8.240 nan 0.000 0.497 328 G N 1.349 110.073 108.800 -0.127 0.000 2.699 328 G HA2 0.065 4.026 3.960 0.000 0.000 0.686 328 G HA3 0.065 4.026 3.960 0.000 0.000 0.686 328 G C -0.900 173.831 174.900 -0.283 0.000 1.301 328 G CA -1.090 43.893 45.100 -0.194 0.000 0.816 328 G HN 0.823 nan 8.290 nan 0.000 0.595 329 R N 0.278 120.481 120.500 -0.495 0.000 2.674 329 R HA 0.778 5.118 4.340 0.000 0.000 0.266 329 R C 1.697 177.556 176.300 -0.736 0.000 1.016 329 R CA -0.091 55.540 56.100 -0.781 0.000 1.062 329 R CB 0.844 30.114 30.300 -1.717 0.000 1.142 329 R HN 1.173 nan 8.270 nan 0.000 0.517 330 A N 1.168 123.605 122.820 -0.638 0.000 1.902 330 A HA -0.178 4.143 4.320 0.000 0.000 0.217 330 A C 1.837 179.297 177.584 -0.206 0.000 1.181 330 A CA 1.764 53.493 52.037 -0.513 0.000 0.623 330 A CB -0.787 17.680 19.000 -0.887 0.000 0.818 330 A HN 0.888 nan 8.150 nan 0.000 0.443 331 W N 0.040 121.325 121.300 -0.025 0.000 2.392 331 W HA -0.037 4.623 4.660 0.001 0.000 0.279 331 W C 1.398 177.911 176.519 -0.010 0.000 1.225 331 W CA 1.021 58.364 57.345 -0.003 0.000 1.233 331 W CB -0.364 29.119 29.460 0.037 0.000 1.122 331 W HN 0.360 nan 8.180 nan 0.000 0.561 332 E N 0.646 120.647 120.200 -0.331 0.000 2.086 332 E HA -0.132 4.218 4.350 0.000 0.000 0.190 332 E C 1.759 178.277 176.600 -0.137 0.000 0.975 332 E CA 1.019 57.300 56.400 -0.199 0.000 0.813 332 E CB -0.268 29.253 29.700 -0.299 0.000 0.768 332 E HN 0.260 nan 8.360 nan 0.000 0.457 333 N N 0.076 118.664 118.700 -0.187 0.000 2.409 333 N HA -0.021 4.719 4.740 0.000 0.000 0.179 333 N C -0.151 175.296 175.510 -0.106 0.000 1.032 333 N CA 0.721 53.683 53.050 -0.147 0.000 0.898 333 N CB 0.527 38.905 38.487 -0.182 0.000 0.971 333 N HN -0.067 nan 8.380 nan 0.000 0.441 334 T N 1.035 115.536 114.554 -0.089 0.000 2.840 334 T HA 0.527 4.877 4.350 0.000 0.000 0.287 334 T C -0.399 174.297 174.700 -0.005 0.000 0.991 334 T CA -0.721 61.348 62.100 -0.053 0.000 0.964 334 T CB 2.018 70.844 68.868 -0.069 0.000 0.954 334 T HN -0.103 nan 8.240 nan 0.000 0.438 335 V N 0.852 120.766 119.914 0.001 0.000 2.823 335 V HA 0.829 4.950 4.120 0.000 0.000 0.312 335 V C -0.385 175.721 176.094 0.020 0.000 1.072 335 V CA -1.093 61.222 62.300 0.026 0.000 0.937 335 V CB 1.824 33.662 31.823 0.026 0.000 1.013 335 V HN 0.563 nan 8.190 nan 0.000 0.430 336 V N 2.389 122.321 119.914 0.030 0.000 2.383 336 V HA 0.368 4.488 4.120 0.000 0.000 0.275 336 V C -0.068 176.039 176.094 0.021 0.000 1.036 336 V CA 0.053 62.367 62.300 0.023 0.000 0.889 336 V CB 1.197 33.037 31.823 0.028 0.000 0.985 336 V HN 1.022 nan 8.190 nan 0.000 0.459 337 D N 4.924 125.332 120.400 0.014 0.000 2.557 337 D HA 0.361 5.002 4.640 0.000 0.000 0.236 337 D C -0.636 175.670 176.300 0.010 0.000 1.154 337 D CA -0.093 53.914 54.000 0.012 0.000 0.985 337 D CB 0.798 41.602 40.800 0.007 0.000 1.010 337 D HN 0.310 nan 8.370 nan 0.000 0.516 365 L N 1.688 122.889 121.223 -0.036 0.000 2.426 365 L HA 0.460 4.800 4.340 0.000 0.000 0.271 365 L C 1.786 178.645 176.870 -0.019 0.000 1.169 365 L CA -0.091 54.724 54.840 -0.042 0.000 0.836 365 L CB 0.815 42.832 42.059 -0.069 0.000 1.112 365 L HN 0.868 nan 8.230 nan 0.000 0.465 366 T N -0.305 114.241 114.554 -0.012 0.000 2.748 366 T HA 0.020 4.371 4.350 0.000 0.000 0.304 366 T C 1.217 175.941 174.700 0.040 0.000 1.041 366 T CA 0.181 62.297 62.100 0.027 0.000 1.033 366 T CB 0.133 69.019 68.868 0.031 0.000 0.995 366 T HN 0.543 nan 8.240 nan 0.000 0.536 367 Y N 1.403 121.683 120.300 -0.032 0.000 2.151 367 Y HA -0.159 4.391 4.550 0.000 0.000 0.284 367 Y C 2.567 178.444 175.900 -0.037 0.000 1.166 367 Y CA 2.194 60.275 58.100 -0.031 0.000 1.163 367 Y CB -0.783 37.663 38.460 -0.025 0.000 0.974 367 Y HN 0.647 nan 8.280 nan 0.000 0.511 368 S N 0.124 115.750 115.700 -0.123 0.000 2.406 368 S HA -0.165 4.305 4.470 0.000 0.000 0.228 368 S C 1.761 176.229 174.600 -0.221 0.000 1.020 368 S CA 1.258 59.322 58.200 -0.226 0.000 0.965 368 S CB -0.235 62.956 63.200 -0.015 0.000 0.798 368 S HN 0.612 nan 8.310 nan 0.000 0.488 369 Q N 0.518 120.226 119.800 -0.152 0.000 2.172 369 Q HA 0.077 4.418 4.340 0.000 0.000 0.200 369 Q C 2.030 177.934 176.000 -0.160 0.000 0.964 369 Q CA 0.715 56.433 55.803 -0.141 0.000 0.855 369 Q CB -0.260 28.418 28.738 -0.101 0.000 0.918 369 Q HN 0.462 nan 8.270 nan 0.000 0.444 370 L N -0.051 121.063 121.223 -0.182 0.000 1.994 370 L HA -0.216 4.124 4.340 0.000 0.000 0.208 370 L C 2.444 179.193 176.870 -0.201 0.000 1.071 370 L CA 0.859 55.594 54.840 -0.175 0.000 0.745 370 L CB -0.378 41.587 42.059 -0.157 0.000 0.892 370 L HN 0.335 nan 8.230 nan 0.000 0.431 371 M N -0.826 118.595 119.600 -0.298 0.000 2.106 371 M HA -0.211 4.269 4.480 0.000 0.000 0.259 371 M C 2.347 178.543 176.300 -0.174 0.000 1.068 371 M CA 2.024 57.167 55.300 -0.261 0.000 1.100 371 M CB -1.647 30.736 32.600 -0.361 0.000 1.351 371 M HN 0.275 nan 8.290 nan 0.000 0.404 372 T N 1.529 115.980 114.554 -0.172 0.000 2.746 372 T HA -0.131 4.220 4.350 0.000 0.000 0.267 372 T C 1.850 176.485 174.700 -0.108 0.000 1.039 372 T CA 1.320 63.342 62.100 -0.129 0.000 1.142 372 T CB -0.407 68.379 68.868 -0.136 0.000 0.866 372 T HN 0.273 nan 8.240 nan 0.000 0.444 373 L N 1.364 122.516 121.223 -0.119 0.000 2.046 373 L HA -0.010 4.330 4.340 0.000 0.000 0.208 373 L C 2.145 178.960 176.870 -0.091 0.000 1.077 373 L CA 1.782 56.557 54.840 -0.109 0.000 0.747 373 L CB -0.585 41.396 42.059 -0.129 0.000 0.896 373 L HN 0.079 nan 8.230 nan 0.000 0.432 374 K N -0.431 119.915 120.400 -0.091 0.000 2.032 374 K HA -0.179 4.141 4.320 0.000 0.000 0.209 374 K C 1.777 178.344 176.600 -0.054 0.000 1.048 374 K CA 1.687 57.932 56.287 -0.069 0.000 0.927 374 K CB -0.398 32.060 32.500 -0.071 0.000 0.712 374 K HN 0.368 nan 8.250 nan 0.000 0.441 375 D N 0.557 120.921 120.400 -0.059 0.000 2.178 375 D HA -0.088 4.552 4.640 0.000 0.000 0.202 375 D C 1.776 178.056 176.300 -0.032 0.000 0.974 375 D CA 1.050 55.025 54.000 -0.042 0.000 0.841 375 D CB -0.111 40.661 40.800 -0.047 0.000 0.953 375 D HN 0.214 nan 8.370 nan 0.000 0.478 376 A N 0.717 123.512 122.820 -0.042 0.000 1.898 376 A HA -0.119 4.202 4.320 0.000 0.000 0.216 376 A C 2.048 179.615 177.584 -0.029 0.000 1.181 376 A CA 1.000 53.016 52.037 -0.035 0.000 0.620 376 A CB -0.357 18.614 19.000 -0.047 0.000 0.819 376 A HN 0.084 nan 8.150 nan 0.000 0.442 377 M N 0.086 119.666 119.600 -0.034 0.000 2.446 377 M HA -0.023 4.458 4.480 0.000 0.000 0.263 377 M C 1.687 177.981 176.300 -0.010 0.000 1.066 377 M CA 0.866 56.150 55.300 -0.027 0.000 1.087 377 M CB -1.243 31.337 32.600 -0.033 0.000 1.406 377 M HN 0.402 nan 8.290 nan 0.000 0.459 378 L N -0.593 120.631 121.223 0.002 0.000 2.362 378 L HA -0.190 4.150 4.340 0.000 0.000 0.219 378 L C 2.417 179.321 176.870 0.058 0.000 1.134 378 L CA 0.808 55.666 54.840 0.031 0.000 0.807 378 L CB -0.796 41.279 42.059 0.026 0.000 0.927 378 L HN 0.421 nan 8.230 nan 0.000 0.447 379 Q N 0.784 120.603 119.800 0.033 0.000 2.167 379 Q HA -0.095 4.245 4.340 0.000 0.000 0.202 379 Q C 0.857 176.869 176.000 0.021 0.000 0.970 379 Q CA 0.564 56.392 55.803 0.042 0.000 0.855 379 Q CB 0.127 28.874 28.738 0.015 0.000 0.911 379 Q HN 0.403 nan 8.270 nan 0.000 0.438 380 L N 2.078 123.285 121.223 -0.026 0.000 2.485 380 L HA -0.020 4.320 4.340 0.000 0.000 0.275 380 L C -0.005 176.702 176.870 -0.271 0.000 1.207 380 L CA -0.018 54.758 54.840 -0.106 0.000 0.855 380 L CB 0.354 42.363 42.059 -0.084 0.000 1.114 380 L HN 0.105 nan 8.230 nan 0.000 0.485 381 D N 4.448 124.563 120.400 -0.476 0.000 2.317 381 D HA 0.196 4.836 4.640 0.000 0.000 0.234 381 D C -1.787 174.205 176.300 -0.513 0.000 1.112 381 D CA -2.251 51.141 54.000 -1.014 0.000 0.840 381 D CB 1.517 41.732 40.800 -0.974 0.000 1.078 381 D HN 0.164 nan 8.370 nan 0.000 0.486 382 P HA -0.014 nan 4.420 nan 0.000 0.233 382 P C 0.102 177.318 177.300 -0.140 0.000 1.167 382 P CA 0.676 63.671 63.100 -0.174 0.000 0.770 382 P CB 0.329 31.980 31.700 -0.082 0.000 0.837 383 N N -0.358 118.242 118.700 -0.167 0.000 2.392 383 N HA 0.137 4.877 4.740 0.000 0.000 0.177 383 N C 0.798 176.245 175.510 -0.104 0.000 1.066 383 N CA -0.111 52.881 53.050 -0.095 0.000 0.895 383 N CB -0.101 38.368 38.487 -0.031 0.000 0.988 383 N HN 0.071 nan 8.380 nan 0.000 0.457 384 A N 1.172 123.902 122.820 -0.150 0.000 2.332 384 A HA 0.177 4.497 4.320 0.000 0.000 0.258 384 A C 0.287 177.803 177.584 -0.112 0.000 1.087 384 A CA -0.424 51.539 52.037 -0.123 0.000 0.802 384 A CB 0.272 19.184 19.000 -0.147 0.000 1.042 384 A HN 0.186 nan 8.150 nan 0.000 0.489 385 K N 0.472 120.813 120.400 -0.099 0.000 2.511 385 K HA 0.185 4.505 4.320 0.000 0.000 0.280 385 K C -0.918 175.617 176.600 -0.108 0.000 1.008 385 K CA 0.966 57.184 56.287 -0.114 0.000 1.050 385 K CB 0.036 32.492 32.500 -0.074 0.000 0.889 385 K HN 0.637 nan 8.250 nan 0.000 0.484 386 T N 4.198 118.672 114.554 -0.133 0.000 3.031 386 T HA 0.218 4.568 4.350 0.000 0.000 0.305 386 T C -1.289 173.383 174.700 -0.046 0.000 0.985 386 T CA -0.672 61.397 62.100 -0.052 0.000 1.008 386 T CB 0.214 69.053 68.868 -0.049 0.000 1.005 386 T HN 0.496 nan 8.240 nan 0.000 0.444 387 W N 3.033 124.340 121.300 0.013 0.000 2.303 387 W HA 0.747 5.408 4.660 0.000 0.000 0.334 387 W C 0.246 176.809 176.519 0.074 0.000 1.197 387 W CA -0.817 56.570 57.345 0.070 0.000 1.262 387 W CB 1.004 30.549 29.460 0.141 0.000 1.153 387 W HN 0.464 nan 8.180 nan 0.000 0.596 388 M N 2.790 122.576 119.600 0.310 0.000 2.433 388 M HA 0.325 4.805 4.480 0.000 0.000 0.290 388 M C -1.897 174.534 176.300 0.217 0.000 1.173 388 M CA -0.344 55.081 55.300 0.208 0.000 0.905 388 M CB 2.101 34.771 32.600 0.117 0.000 1.692 388 M HN 0.474 nan 8.290 nan 0.000 0.462 389 D N 4.280 124.771 120.400 0.152 0.000 2.661 389 D HA 0.615 5.255 4.640 0.000 0.000 0.228 389 D C -1.831 174.512 176.300 0.072 0.000 1.210 389 D CA -0.352 53.731 54.000 0.140 0.000 0.826 389 D CB 2.545 43.434 40.800 0.147 0.000 1.542 389 D HN 0.787 nan 8.370 nan 0.000 0.447 390 I N -0.927 119.692 120.570 0.082 0.000 2.647 390 I HA 0.583 4.753 4.170 0.000 0.000 0.295 390 I C -0.955 175.225 176.117 0.105 0.000 1.078 390 I CA -0.660 60.676 61.300 0.061 0.000 1.048 390 I CB 2.522 40.555 38.000 0.055 0.000 1.239 390 I HN 0.009 nan 8.210 nan 0.000 0.421 391 E N 3.679 123.949 120.200 0.117 0.000 2.179 391 E HA 0.666 5.016 4.350 0.000 0.000 0.275 391 E C 0.087 176.804 176.600 0.195 0.000 0.945 391 E CA 0.069 56.588 56.400 0.197 0.000 0.792 391 E CB 1.850 31.703 29.700 0.255 0.000 1.125 391 E HN 1.107 nan 8.360 nan 0.000 0.397 392 G N 2.581 111.529 108.800 0.246 0.000 2.730 392 G HA2 -0.222 3.739 3.960 0.000 0.000 0.686 392 G HA3 -0.222 3.739 3.960 0.000 0.000 0.686 392 G C -0.512 174.478 174.900 0.149 0.000 1.343 392 G CA -0.815 44.412 45.100 0.213 0.000 0.826 392 G HN 0.490 nan 8.290 nan 0.000 0.582 393 R N 1.879 122.458 120.500 0.132 0.000 2.641 393 R HA 0.333 4.673 4.340 0.000 0.000 0.269 393 R C -0.855 175.499 176.300 0.089 0.000 1.074 393 R CA -0.772 55.388 56.100 0.100 0.000 1.133 393 R CB 0.619 30.972 30.300 0.088 0.000 1.029 393 R HN 0.410 nan 8.270 nan 0.000 0.488 394 P HA -0.258 nan 4.420 nan 0.000 0.216 394 P C 0.603 177.941 177.300 0.064 0.000 1.150 394 P CA 1.523 64.662 63.100 0.064 0.000 0.843 394 P CB 0.114 31.846 31.700 0.052 0.000 0.787 395 E N -0.254 119.984 120.200 0.064 0.000 2.481 395 E HA -0.094 4.256 4.350 0.000 0.000 0.195 395 E C -0.073 176.571 176.600 0.073 0.000 1.047 395 E CA 0.723 57.160 56.400 0.062 0.000 0.867 395 E CB -0.408 29.324 29.700 0.053 0.000 0.858 395 E HN 0.120 nan 8.360 nan 0.000 0.513 396 D N 1.216 121.669 120.400 0.089 0.000 3.220 396 D HA 0.210 4.851 4.640 0.000 0.000 0.309 396 D C -2.685 173.693 176.300 0.129 0.000 1.276 396 D CA -1.729 52.335 54.000 0.107 0.000 0.736 396 D CB 0.865 41.737 40.800 0.120 0.000 1.304 396 D HN -0.031 nan 8.370 nan 0.000 0.582 397 P HA 0.033 nan 4.420 nan 0.000 0.269 397 P C 0.790 178.161 177.300 0.118 0.000 1.209 397 P CA -0.178 62.983 63.100 0.101 0.000 0.776 397 P CB 1.790 33.527 31.700 0.062 0.000 0.876 398 V N -1.530 118.457 119.914 0.121 0.000 3.408 398 V HA 0.382 4.502 4.120 0.000 0.000 0.263 398 V C 0.412 176.579 176.094 0.122 0.000 1.503 398 V CA 0.417 62.804 62.300 0.146 0.000 1.046 398 V CB 0.002 31.970 31.823 0.242 0.000 0.851 398 V HN 0.493 nan 8.190 nan 0.000 0.435 399 E N 0.820 121.049 120.200 0.048 0.000 2.275 399 E HA 0.606 4.957 4.350 0.000 0.000 0.270 399 E C -1.803 174.688 176.600 -0.183 0.000 0.882 399 E CA -0.681 55.693 56.400 -0.045 0.000 0.758 399 E CB 2.381 32.176 29.700 0.159 0.000 1.195 399 E HN 0.329 nan 8.360 nan 0.000 0.419 400 I N 2.285 122.571 120.570 -0.473 0.000 2.545 400 I HA 0.659 4.830 4.170 0.000 0.000 0.292 400 I C -0.494 175.439 176.117 -0.307 0.000 1.040 400 I CA -0.755 60.274 61.300 -0.452 0.000 1.068 400 I CB 1.410 38.951 38.000 -0.765 0.000 1.251 400 I HN 0.576 nan 8.210 nan 0.000 0.424 401 A N 6.502 129.268 122.820 -0.089 0.000 2.449 401 A HA 0.935 5.255 4.320 0.000 0.000 0.302 401 A C -1.435 176.204 177.584 0.092 0.000 1.048 401 A CA -0.421 51.630 52.037 0.023 0.000 0.708 401 A CB 1.978 20.953 19.000 -0.042 0.000 1.274 401 A HN 0.564 nan 8.150 nan 0.000 0.410 402 L N 1.232 122.553 121.223 0.164 0.000 2.388 402 L HA 0.680 5.020 4.340 0.000 0.000 0.264 402 L C -1.159 175.884 176.870 0.288 0.000 0.998 402 L CA -0.401 54.559 54.840 0.200 0.000 0.817 402 L CB 2.272 44.425 42.059 0.156 0.000 1.338 402 L HN 0.731 nan 8.230 nan 0.000 0.414 403 Y N 1.429 121.808 120.300 0.133 0.000 2.401 403 Y HA 0.431 4.981 4.550 0.000 0.000 0.330 403 Y C -1.395 174.589 175.900 0.139 0.000 1.071 403 Y CA -0.727 57.440 58.100 0.112 0.000 1.049 403 Y CB 1.773 40.237 38.460 0.007 0.000 1.239 403 Y HN 0.587 nan 8.280 nan 0.000 0.437 404 Q N 8.690 128.267 119.800 -0.371 0.000 2.466 404 Q HA 0.265 4.605 4.340 0.000 0.000 0.242 404 Q C -2.030 173.569 176.000 -0.669 0.000 1.046 404 Q CA -2.069 53.504 55.803 -0.383 0.000 0.841 404 Q CB 1.737 30.364 28.738 -0.185 0.000 1.193 404 Q HN 0.512 nan 8.270 nan 0.000 0.508 405 P HA -0.161 nan 4.420 nan 0.000 0.222 405 P C 1.234 178.404 177.300 -0.217 0.000 1.147 405 P CA 1.049 63.782 63.100 -0.612 0.000 0.790 405 P CB 0.520 32.084 31.700 -0.227 0.000 0.780 406 S N 0.340 115.945 115.700 -0.157 0.000 2.345 406 S HA -0.093 4.377 4.470 0.000 0.000 0.220 406 S C 2.051 176.630 174.600 -0.035 0.000 1.031 406 S CA 1.910 60.070 58.200 -0.066 0.000 0.996 406 S CB -0.621 62.549 63.200 -0.050 0.000 0.882 406 S HN 0.350 nan 8.310 nan 0.000 0.445 407 S N -0.645 115.026 115.700 -0.048 0.000 2.501 407 S HA 0.351 4.821 4.470 0.000 0.000 0.220 407 S C 1.607 176.227 174.600 0.033 0.000 0.997 407 S CA 0.906 59.107 58.200 0.002 0.000 0.919 407 S CB 0.047 63.247 63.200 0.001 0.000 0.778 407 S HN 0.993 nan 8.310 nan 0.000 0.523 408 G N 0.944 109.752 108.800 0.013 0.000 2.176 408 G HA2 -0.312 3.648 3.960 0.000 0.000 0.253 408 G HA3 -0.312 3.648 3.960 0.000 0.000 0.253 408 G C 0.392 175.431 174.900 0.232 0.000 0.979 408 G CA 0.053 45.235 45.100 0.137 0.000 0.641 408 G HN 1.415 nan 8.290 nan 0.000 0.530 409 C N 0.711 120.086 119.300 0.124 0.000 2.605 409 C HA 0.898 5.358 4.460 0.000 0.000 0.404 409 C C 0.243 175.387 174.990 0.258 0.000 1.284 409 C CA -0.703 58.401 59.018 0.143 0.000 2.199 409 C CB -0.376 27.382 27.740 0.030 0.000 2.647 409 C HN 1.449 nan 8.230 nan 0.000 0.604 410 Y N 0.798 121.166 120.300 0.115 0.000 2.571 410 Y HA 0.814 5.364 4.550 0.000 0.000 0.341 410 Y C -1.121 174.850 175.900 0.118 0.000 1.076 410 Y CA -1.784 56.400 58.100 0.140 0.000 1.029 410 Y CB 0.849 39.385 38.460 0.127 0.000 1.308 410 Y HN 0.692 nan 8.280 nan 0.000 0.461 411 I N 4.087 124.784 120.570 0.212 0.000 2.378 411 I HA 0.345 4.515 4.170 0.000 0.000 0.291 411 I C -0.900 175.421 176.117 0.340 0.000 0.992 411 I CA -0.545 60.867 61.300 0.186 0.000 1.154 411 I CB 1.481 39.596 38.000 0.191 0.000 1.315 411 I HN 0.829 nan 8.210 nan 0.000 0.448 412 H N 8.081 127.271 119.070 0.199 0.000 3.096 412 H HA 0.473 5.030 4.556 0.000 0.000 0.335 412 H C -1.889 173.454 175.328 0.024 0.000 0.990 412 H CA -0.534 55.563 56.048 0.080 0.000 1.393 412 H CB 1.647 31.506 29.762 0.161 0.000 1.742 412 H HN 0.574 nan 8.280 nan 0.000 0.501 413 F N 2.975 122.590 119.950 -0.559 0.000 2.745 413 F HA 0.698 5.225 4.527 0.000 0.000 0.316 413 F C -2.265 173.051 175.800 -0.808 0.000 1.155 413 F CA -1.096 56.479 58.000 -0.709 0.000 0.937 413 F CB 1.253 40.085 39.000 -0.280 0.000 1.361 413 F HN 0.158 nan 8.300 nan 0.000 0.472 414 F N 0.557 120.492 119.950 -0.025 0.000 2.598 414 F HA 0.791 5.319 4.527 0.000 0.000 0.327 414 F C -0.230 175.594 175.800 0.041 0.000 1.057 414 F CA -0.966 56.979 58.000 -0.092 0.000 0.957 414 F CB 2.116 41.021 39.000 -0.159 0.000 1.278 414 F HN 0.677 nan 8.300 nan 0.000 0.484 415 R N 0.632 121.262 120.500 0.217 0.000 2.698 415 R HA 0.340 4.680 4.340 0.000 0.000 0.275 415 R C -1.407 174.957 176.300 0.107 0.000 1.001 415 R CA -0.670 55.524 56.100 0.156 0.000 0.896 415 R CB 1.910 32.300 30.300 0.149 0.000 1.218 415 R HN 0.782 nan 8.270 nan 0.000 0.462 416 E N 4.543 124.784 120.200 0.069 0.000 2.360 416 E HA 0.166 4.517 4.350 0.000 0.000 0.269 416 E C -2.007 174.603 176.600 0.015 0.000 1.022 416 E CA -1.639 54.775 56.400 0.023 0.000 0.887 416 E CB 0.931 30.649 29.700 0.029 0.000 0.990 416 E HN 0.384 nan 8.360 nan 0.000 0.426 417 P HA -0.023 nan 4.420 nan 0.000 0.269 417 P C -0.033 177.277 177.300 0.017 0.000 1.215 417 P CA 0.027 63.138 63.100 0.019 0.000 0.780 417 P CB 0.954 32.620 31.700 -0.056 0.000 0.898 418 T N -1.367 113.219 114.554 0.054 0.000 3.040 418 T HA 0.025 4.375 4.350 0.000 0.000 0.252 418 T C 0.353 175.085 174.700 0.052 0.000 1.064 418 T CA 0.877 63.003 62.100 0.043 0.000 1.110 418 T CB -0.137 68.759 68.868 0.047 0.000 0.921 418 T HN 0.417 nan 8.240 nan 0.000 0.480 419 D N 1.221 121.671 120.400 0.083 0.000 2.453 419 D HA 0.241 4.882 4.640 0.000 0.000 0.238 419 D C 0.528 176.909 176.300 0.136 0.000 1.088 419 D CA -0.563 53.495 54.000 0.098 0.000 0.854 419 D CB 1.445 42.309 40.800 0.106 0.000 1.076 419 D HN -0.058 nan 8.370 nan 0.000 0.533 420 L N 4.537 125.824 121.223 0.106 0.000 2.313 420 L HA 0.093 4.433 4.340 0.000 0.000 0.214 420 L C 1.670 178.656 176.870 0.194 0.000 1.119 420 L CA 1.595 56.513 54.840 0.130 0.000 0.809 420 L CB -0.070 42.032 42.059 0.071 0.000 0.933 420 L HN 0.244 nan 8.230 nan 0.000 0.449 421 K N -1.052 119.435 120.400 0.144 0.000 2.167 421 K HA -0.118 4.202 4.320 0.000 0.000 0.203 421 K C 2.061 178.742 176.600 0.136 0.000 1.052 421 K CA 0.981 57.344 56.287 0.126 0.000 0.956 421 K CB -0.023 32.530 32.500 0.088 0.000 0.735 421 K HN 0.223 nan 8.250 nan 0.000 0.451 422 Q N 0.505 120.395 119.800 0.150 0.000 2.123 422 Q HA -0.091 4.249 4.340 0.000 0.000 0.199 422 Q C 1.641 177.750 176.000 0.182 0.000 0.966 422 Q CA 1.311 57.200 55.803 0.142 0.000 0.845 422 Q CB -0.225 28.593 28.738 0.134 0.000 0.907 422 Q HN 0.289 nan 8.270 nan 0.000 0.439 423 F N 0.633 120.647 119.950 0.106 0.000 2.102 423 F HA -0.184 4.343 4.527 0.000 0.000 0.298 423 F C 1.714 177.583 175.800 0.116 0.000 1.105 423 F CA 1.340 59.428 58.000 0.147 0.000 1.239 423 F CB -0.029 39.057 39.000 0.143 0.000 0.991 423 F HN -0.041 nan 8.300 nan 0.000 0.474 424 K N 0.315 120.895 120.400 0.300 0.000 2.052 424 K HA -0.255 4.065 4.320 0.000 0.000 0.215 424 K C 1.976 178.578 176.600 0.004 0.000 1.053 424 K CA 1.861 58.233 56.287 0.142 0.000 0.934 424 K CB -0.840 31.745 32.500 0.141 0.000 0.717 424 K HN 0.424 nan 8.250 nan 0.000 0.450 425 Q N 0.440 120.260 119.800 0.034 0.000 2.137 425 Q HA -0.085 4.255 4.340 0.000 0.000 0.198 425 Q C 1.763 177.762 176.000 -0.002 0.000 0.960 425 Q CA 1.023 56.869 55.803 0.072 0.000 0.847 425 Q CB -0.226 28.574 28.738 0.104 0.000 0.915 425 Q HN 0.326 nan 8.270 nan 0.000 0.448 426 D N 1.026 121.344 120.400 -0.137 0.000 2.144 426 D HA -0.098 4.542 4.640 0.000 0.000 0.199 426 D C 1.781 177.591 176.300 -0.816 0.000 0.984 426 D CA 1.351 55.145 54.000 -0.343 0.000 0.834 426 D CB -0.106 40.553 40.800 -0.234 0.000 0.955 426 D HN 0.211 nan 8.370 nan 0.000 0.465 427 A N 1.175 123.502 122.820 -0.821 0.000 1.883 427 A HA -0.193 4.127 4.320 0.000 0.000 0.217 427 A C 2.046 179.401 177.584 -0.381 0.000 1.186 427 A CA 1.472 53.120 52.037 -0.647 0.000 0.624 427 A CB -0.223 18.564 19.000 -0.355 0.000 0.822 427 A HN 0.010 nan 8.150 nan 0.000 0.444 428 K N -1.898 118.320 120.400 -0.302 0.000 2.305 428 K HA 0.042 4.362 4.320 0.000 0.000 0.199 428 K C 0.597 176.869 176.600 -0.547 0.000 1.047 428 K CA 0.902 56.961 56.287 -0.379 0.000 0.976 428 K CB -0.140 32.132 32.500 -0.381 0.000 0.765 428 K HN 0.688 nan 8.250 nan 0.000 0.474 429 Y N -1.074 119.108 120.300 -0.196 0.000 2.500 429 Y HA 0.177 4.728 4.550 0.001 0.000 0.246 429 Y C 1.820 177.612 175.900 -0.181 0.000 1.146 429 Y CA -0.160 57.846 58.100 -0.155 0.000 1.230 429 Y CB 1.093 39.493 38.460 -0.101 0.000 1.214 429 Y HN -0.093 nan 8.280 nan 0.000 0.526 430 S N -1.427 114.175 115.700 -0.163 0.000 4.736 430 S HA -0.004 4.466 4.470 0.000 0.000 0.170 430 S C 1.199 175.694 174.600 -0.175 0.000 1.074 430 S CA 0.534 58.638 58.200 -0.159 0.000 1.250 430 S CB -0.476 62.726 63.200 0.003 0.000 1.772 430 S HN 0.486 nan 8.310 nan 0.000 0.633 431 H N -0.086 118.979 119.070 -0.009 0.000 2.595 431 H HA 0.526 5.082 4.556 0.000 0.000 0.265 431 H C 1.304 176.736 175.328 0.173 0.000 0.953 431 H CA 0.843 56.970 56.048 0.131 0.000 1.197 431 H CB -0.734 29.159 29.762 0.218 0.000 1.438 431 H HN 0.603 nan 8.280 nan 0.000 0.531 432 G N 1.321 110.185 108.800 0.107 0.000 2.321 432 G HA2 -0.313 3.647 3.960 0.000 0.000 0.287 432 G HA3 -0.313 3.647 3.960 0.000 0.000 0.287 432 G C -0.052 174.951 174.900 0.171 0.000 1.018 432 G CA 0.627 45.780 45.100 0.088 0.000 0.855 432 G HN 0.538 nan 8.290 nan 0.000 0.507 433 I N 0.350 121.110 120.570 0.315 0.000 2.371 433 I HA 0.182 4.352 4.170 0.000 0.000 0.290 433 I C 0.309 176.554 176.117 0.214 0.000 1.028 433 I CA -0.790 60.589 61.300 0.131 0.000 1.345 433 I CB 1.067 39.050 38.000 -0.028 0.000 1.407 433 I HN -0.001 nan 8.210 nan 0.000 0.501 434 D N 5.547 126.014 120.400 0.112 0.000 2.383 434 D HA -0.001 4.640 4.640 0.000 0.000 0.252 434 D C 0.842 177.161 176.300 0.033 0.000 1.166 434 D CA 0.125 54.176 54.000 0.086 0.000 0.879 434 D CB 1.780 42.568 40.800 -0.020 0.000 1.164 434 D HN 0.344 nan 8.370 nan 0.000 0.462 435 V N 4.032 123.947 119.914 0.002 0.000 2.469 435 V HA -0.253 3.867 4.120 0.000 0.000 0.251 435 V C 2.288 177.987 176.094 -0.660 0.000 1.064 435 V CA 2.978 65.065 62.300 -0.355 0.000 1.066 435 V CB -0.629 30.901 31.823 -0.488 0.000 0.667 435 V HN 0.872 nan 8.190 nan 0.000 0.461 436 T N -2.980 111.155 114.554 -0.698 0.000 2.929 436 T HA -0.183 4.167 4.350 0.000 0.000 0.271 436 T C 1.482 175.849 174.700 -0.555 0.000 1.085 436 T CA 1.509 63.014 62.100 -0.991 0.000 1.125 436 T CB -0.546 68.016 68.868 -0.510 0.000 0.874 436 T HN 0.538 nan 8.240 nan 0.000 0.494 437 D N 1.055 121.268 120.400 -0.313 0.000 2.269 437 D HA 0.114 4.755 4.640 0.000 0.000 0.208 437 D C 1.918 178.134 176.300 -0.141 0.000 0.963 437 D CA 0.468 54.371 54.000 -0.162 0.000 0.864 437 D CB -0.113 40.610 40.800 -0.129 0.000 0.936 437 D HN 0.419 nan 8.370 nan 0.000 0.505 438 L N -0.177 120.936 121.223 -0.183 0.000 2.418 438 L HA -0.022 4.318 4.340 0.000 0.000 0.218 438 L C 1.941 178.877 176.870 0.110 0.000 1.125 438 L CA 0.045 54.828 54.840 -0.095 0.000 0.835 438 L CB -0.146 41.861 42.059 -0.086 0.000 0.953 438 L HN -0.094 nan 8.230 nan 0.000 0.454 439 F N 0.914 120.821 119.950 -0.072 0.000 2.154 439 F HA -0.215 4.313 4.527 0.000 0.000 0.301 439 F C 2.366 178.156 175.800 -0.016 0.000 1.087 439 F CA 0.962 58.936 58.000 -0.044 0.000 1.274 439 F CB -0.979 38.004 39.000 -0.030 0.000 1.009 439 F HN 0.053 nan 8.300 nan 0.000 0.485 440 A N -0.509 122.438 122.820 0.212 0.000 2.379 440 A HA 0.201 4.521 4.320 0.000 0.000 0.236 440 A C 0.931 178.599 177.584 0.140 0.000 1.272 440 A CA 0.369 52.524 52.037 0.197 0.000 0.886 440 A CB -1.101 18.050 19.000 0.250 0.000 0.962 440 A HN 0.269 nan 8.150 nan 0.000 0.504 441 T N -2.482 112.035 114.554 -0.063 0.000 2.918 441 T HA 0.484 4.834 4.350 0.000 0.000 0.283 441 T C -0.149 174.489 174.700 -0.105 0.000 1.001 441 T CA -0.614 61.294 62.100 -0.320 0.000 1.041 441 T CB 1.166 69.805 68.868 -0.382 0.000 1.028 441 T HN 0.189 nan 8.240 nan 0.000 0.511 442 Q N 2.488 122.228 119.800 -0.100 0.000 2.294 442 Q HA 0.413 4.753 4.340 0.000 0.000 0.257 442 Q C -2.480 173.510 176.000 -0.016 0.000 0.955 442 Q CA -1.875 53.909 55.803 -0.032 0.000 0.936 442 Q CB 0.663 29.385 28.738 -0.027 0.000 1.188 442 Q HN 0.477 nan 8.270 nan 0.000 0.420 443 P HA 0.337 nan 4.420 nan 0.000 0.276 443 P C 0.213 177.504 177.300 -0.016 0.000 1.244 443 P CA 0.348 63.451 63.100 0.004 0.000 0.801 443 P CB 1.369 33.069 31.700 -0.001 0.000 1.006 444 G N 0.402 109.198 108.800 -0.007 0.000 2.284 444 G HA2 -0.263 3.698 3.960 0.000 0.000 0.216 444 G HA3 -0.263 3.698 3.960 0.000 0.000 0.216 444 G C 0.939 175.794 174.900 -0.075 0.000 1.009 444 G CA 0.191 45.272 45.100 -0.031 0.000 0.625 444 G HN 0.457 nan 8.290 nan 0.000 0.501 445 L N 1.062 122.202 121.223 -0.138 0.000 2.191 445 L HA -0.019 4.322 4.340 0.000 0.000 0.212 445 L C 3.014 179.641 176.870 -0.406 0.000 1.103 445 L CA 1.895 56.494 54.840 -0.402 0.000 0.769 445 L CB -0.785 40.840 42.059 -0.723 0.000 0.908 445 L HN 0.367 nan 8.230 nan 0.000 0.438 446 T N -0.684 113.905 114.554 0.058 0.000 2.569 446 T HA -0.207 4.143 4.350 0.000 0.000 0.263 446 T C 2.127 176.888 174.700 0.102 0.000 1.074 446 T CA 1.990 64.257 62.100 0.278 0.000 1.176 446 T CB -0.206 68.831 68.868 0.282 0.000 0.863 446 T HN 0.296 nan 8.240 nan 0.000 0.410 447 S N 1.312 117.042 115.700 0.051 0.000 2.374 447 S HA -0.115 4.355 4.470 0.000 0.000 0.227 447 S C 2.461 177.051 174.600 -0.016 0.000 1.037 447 S CA 1.133 59.345 58.200 0.021 0.000 1.024 447 S CB -0.571 62.637 63.200 0.014 0.000 0.861 447 S HN 0.588 nan 8.310 nan 0.000 0.456 448 A N 0.754 123.535 122.820 -0.065 0.000 1.929 448 A HA 0.049 4.370 4.320 0.000 0.000 0.216 448 A C 2.329 179.844 177.584 -0.115 0.000 1.176 448 A CA 1.087 53.067 52.037 -0.096 0.000 0.628 448 A CB -0.660 18.264 19.000 -0.127 0.000 0.816 448 A HN 0.339 nan 8.150 nan 0.000 0.444 449 V N 0.311 120.125 119.914 -0.166 0.000 2.270 449 V HA -0.241 3.879 4.120 0.000 0.000 0.245 449 V C 2.431 178.518 176.094 -0.012 0.000 1.043 449 V CA 2.041 64.268 62.300 -0.123 0.000 1.014 449 V CB -0.644 31.080 31.823 -0.166 0.000 0.645 449 V HN 0.569 nan 8.190 nan 0.000 0.447 450 I N -0.039 120.552 120.570 0.035 0.000 2.179 450 I HA -0.238 3.932 4.170 0.000 0.000 0.242 450 I C 2.337 178.465 176.117 0.018 0.000 1.088 450 I CA 1.562 62.892 61.300 0.049 0.000 1.357 450 I CB -0.615 37.428 38.000 0.071 0.000 1.051 450 I HN 0.311 nan 8.210 nan 0.000 0.409 451 D N 1.221 121.623 120.400 0.004 0.000 2.149 451 D HA -0.216 4.425 4.640 0.000 0.000 0.194 451 D C 2.040 178.333 176.300 -0.011 0.000 1.001 451 D CA 1.920 55.917 54.000 -0.005 0.000 0.849 451 D CB -0.058 40.734 40.800 -0.013 0.000 0.939 451 D HN 0.424 nan 8.370 nan 0.000 0.449 452 A N 0.048 122.856 122.820 -0.021 0.000 2.238 452 A HA 0.135 4.455 4.320 0.000 0.000 0.210 452 A C 1.076 178.651 177.584 -0.016 0.000 1.179 452 A CA -0.222 51.801 52.037 -0.024 0.000 0.827 452 A CB -0.196 18.779 19.000 -0.040 0.000 0.856 452 A HN 0.153 nan 8.150 nan 0.000 0.488 453 L N 1.989 123.208 121.223 -0.006 0.000 2.615 453 L HA 0.047 4.387 4.340 0.000 0.000 0.284 453 L C -1.800 175.064 176.870 -0.010 0.000 1.237 453 L CA -1.095 53.743 54.840 -0.003 0.000 0.905 453 L CB 0.037 42.101 42.059 0.009 0.000 1.149 453 L HN 0.189 nan 8.230 nan 0.000 0.499 454 P HA 0.033 nan 4.420 nan 0.000 0.269 454 P C -0.532 176.759 177.300 -0.015 0.000 1.217 454 P CA -0.372 62.718 63.100 -0.016 0.000 0.783 454 P CB 0.506 32.189 31.700 -0.027 0.000 0.898 455 R N 2.017 122.512 120.500 -0.010 0.000 2.594 455 R HA 0.109 4.449 4.340 0.000 0.000 0.272 455 R C 1.092 177.384 176.300 -0.014 0.000 1.074 455 R CA 0.321 56.416 56.100 -0.009 0.000 1.105 455 R CB -0.397 29.901 30.300 -0.005 0.000 1.008 455 R HN 0.479 nan 8.270 nan 0.000 0.472 456 N N 1.027 119.718 118.700 -0.015 0.000 2.946 456 N HA -0.276 4.464 4.740 0.000 0.000 0.228 456 N C -0.476 175.017 175.510 -0.029 0.000 0.873 456 N CA 1.544 54.583 53.050 -0.019 0.000 1.029 456 N CB -1.212 37.266 38.487 -0.016 0.000 1.047 456 N HN 0.631 nan 8.380 nan 0.000 0.612 457 M N 1.087 120.667 119.600 -0.033 0.000 2.146 457 M HA -0.183 4.298 4.480 0.000 0.000 0.401 457 M C 0.216 176.484 176.300 -0.052 0.000 1.144 457 M CA 1.218 56.490 55.300 -0.046 0.000 0.764 457 M CB 0.077 32.653 32.600 -0.041 0.000 1.819 457 M HN -0.108 nan 8.290 nan 0.000 0.513 458 V N 5.855 125.727 119.914 -0.069 0.000 2.370 458 V HA 0.427 4.547 4.120 0.000 0.000 0.279 458 V C 0.193 176.221 176.094 -0.110 0.000 1.029 458 V CA -0.564 61.685 62.300 -0.085 0.000 0.870 458 V CB 1.483 33.252 31.823 -0.091 0.000 0.984 458 V HN 0.561 nan 8.190 nan 0.000 0.451 459 I N 3.804 124.307 120.570 -0.113 0.000 2.433 459 I HA 0.413 4.583 4.170 0.000 0.000 0.292 459 I C 0.257 176.248 176.117 -0.209 0.000 1.001 459 I CA -0.066 61.153 61.300 -0.134 0.000 1.119 459 I CB 2.223 40.183 38.000 -0.066 0.000 1.289 459 I HN 0.526 nan 8.210 nan 0.000 0.438 460 T N 5.575 119.912 114.554 -0.362 0.000 2.829 460 T HA 0.576 4.926 4.350 0.000 0.000 0.282 460 T C -0.288 174.137 174.700 -0.458 0.000 0.990 460 T CA -0.404 61.336 62.100 -0.601 0.000 1.028 460 T CB 0.986 69.144 68.868 -1.183 0.000 0.951 460 T HN 0.786 nan 8.240 nan 0.000 0.460 461 C N 2.348 121.482 119.300 -0.276 0.000 2.985 461 C HA 0.688 5.148 4.460 0.000 0.000 0.332 461 C C -0.613 174.406 174.990 0.048 0.000 1.164 461 C CA -1.339 57.697 59.018 0.029 0.000 1.347 461 C CB 0.740 28.505 27.740 0.042 0.000 1.764 461 C HN 0.807 nan 8.230 nan 0.000 0.489 462 Q N 1.608 121.484 119.800 0.127 0.000 2.344 462 Q HA 0.492 4.832 4.340 0.000 0.000 0.253 462 Q C 0.606 176.587 176.000 -0.033 0.000 1.050 462 Q CA 1.775 57.508 55.803 -0.116 0.000 0.912 462 Q CB -0.064 28.294 28.738 -0.633 0.000 1.258 462 Q HN 2.473 nan 8.270 nan 0.000 0.443 463 G N 2.817 111.595 108.800 -0.037 0.000 2.830 463 G HA2 -0.213 3.747 3.960 0.000 0.000 0.298 463 G HA3 -0.213 3.747 3.960 0.000 0.000 0.298 463 G C 0.273 175.176 174.900 0.006 0.000 1.031 463 G CA 0.058 45.154 45.100 -0.007 0.000 1.179 463 G HN 0.609 nan 8.290 nan 0.000 0.527 464 S N 0.164 115.857 115.700 -0.011 0.000 2.406 464 S HA -0.049 4.422 4.470 0.000 0.000 0.228 464 S C 1.880 176.480 174.600 -0.001 0.000 1.020 464 S CA 1.799 59.991 58.200 -0.013 0.000 0.965 464 S CB -0.037 63.145 63.200 -0.028 0.000 0.798 464 S HN 0.603 nan 8.310 nan 0.000 0.488 465 D N 1.400 121.802 120.400 0.003 0.000 2.183 465 D HA -0.092 4.549 4.640 0.000 0.000 0.203 465 D C 1.658 177.969 176.300 0.018 0.000 0.969 465 D CA 1.294 55.299 54.000 0.008 0.000 0.842 465 D CB -0.268 40.536 40.800 0.007 0.000 0.957 465 D HN 0.700 nan 8.370 nan 0.000 0.484 466 D N 0.486 120.902 120.400 0.027 0.000 2.213 466 D HA -0.116 4.525 4.640 0.000 0.000 0.205 466 D C 2.097 178.422 176.300 0.041 0.000 0.961 466 D CA 0.246 54.269 54.000 0.038 0.000 0.853 466 D CB -0.347 40.482 40.800 0.049 0.000 0.967 466 D HN 0.174 nan 8.370 nan 0.000 0.496 467 I N 1.014 121.608 120.570 0.039 0.000 2.315 467 I HA -0.136 4.034 4.170 0.000 0.000 0.248 467 I C 2.758 178.891 176.117 0.026 0.000 1.117 467 I CA 0.533 61.855 61.300 0.037 0.000 1.404 467 I CB -0.943 37.079 38.000 0.036 0.000 1.071 467 I HN 0.062 nan 8.210 nan 0.000 0.419 468 R N 1.922 122.432 120.500 0.017 0.000 2.103 468 R HA -0.220 4.120 4.340 0.000 0.000 0.234 468 R C 2.341 178.651 176.300 0.017 0.000 1.132 468 R CA 2.032 58.139 56.100 0.011 0.000 0.925 468 R CB -0.153 30.150 30.300 0.005 0.000 0.842 468 R HN 0.197 nan 8.270 nan 0.000 0.430 469 K N 0.082 120.495 120.400 0.021 0.000 2.113 469 K HA -0.189 4.132 4.320 0.000 0.000 0.208 469 K C 2.071 178.690 176.600 0.031 0.000 1.047 469 K CA 1.565 57.867 56.287 0.025 0.000 0.928 469 K CB -0.299 32.217 32.500 0.027 0.000 0.716 469 K HN 0.160 nan 8.250 nan 0.000 0.446 470 L N 1.168 122.413 121.223 0.037 0.000 2.056 470 L HA -0.125 4.216 4.340 0.000 0.000 0.207 470 L C 1.778 178.673 176.870 0.041 0.000 1.078 470 L CA 1.546 56.413 54.840 0.044 0.000 0.749 470 L CB -0.299 41.790 42.059 0.051 0.000 0.901 470 L HN 0.130 nan 8.230 nan 0.000 0.433 471 L N -0.434 120.809 121.223 0.035 0.000 2.056 471 L HA -0.172 4.168 4.340 0.000 0.000 0.207 471 L C 2.656 179.540 176.870 0.023 0.000 1.078 471 L CA 1.478 56.336 54.840 0.030 0.000 0.749 471 L CB -0.940 41.132 42.059 0.022 0.000 0.901 471 L HN 0.440 nan 8.230 nan 0.000 0.433 472 E N 0.444 120.656 120.200 0.020 0.000 2.055 472 E HA -0.323 4.027 4.350 0.000 0.000 0.209 472 E C 2.214 178.825 176.600 0.020 0.000 1.036 472 E CA 2.353 58.763 56.400 0.017 0.000 0.849 472 E CB -0.254 29.455 29.700 0.016 0.000 0.767 472 E HN 0.305 nan 8.360 nan 0.000 0.461 473 S N -0.017 115.698 115.700 0.025 0.000 2.365 473 S HA -0.165 4.306 4.470 0.000 0.000 0.225 473 S C 1.838 176.454 174.600 0.026 0.000 1.039 473 S CA 1.458 59.674 58.200 0.026 0.000 1.033 473 S CB -0.129 63.090 63.200 0.032 0.000 0.887 473 S HN 0.306 nan 8.310 nan 0.000 0.447 474 Q N -0.224 119.594 119.800 0.030 0.000 2.488 474 Q HA 0.125 4.465 4.340 0.000 0.000 0.211 474 Q C 1.330 177.342 176.000 0.020 0.000 0.967 474 Q CA 0.781 56.601 55.803 0.028 0.000 0.926 474 Q CB -0.327 28.433 28.738 0.037 0.000 0.992 474 Q HN 0.703 nan 8.270 nan 0.000 0.506 475 G N 1.439 110.250 108.800 0.017 0.000 2.165 475 G HA2 -0.191 3.770 3.960 0.000 0.000 0.226 475 G HA3 -0.191 3.770 3.960 0.000 0.000 0.226 475 G C -0.085 174.821 174.900 0.010 0.000 1.035 475 G CA -0.328 44.779 45.100 0.012 0.000 0.744 475 G HN 0.072 nan 8.290 nan 0.000 0.501 476 R N 0.093 120.600 120.500 0.011 0.000 3.194 476 R HA 0.296 4.636 4.340 0.000 0.000 0.306 476 R C 1.300 177.603 176.300 0.004 0.000 1.347 476 R CA -0.501 55.604 56.100 0.008 0.000 1.540 476 R CB 0.280 30.587 30.300 0.012 0.000 1.352 476 R HN 0.440 nan 8.270 nan 0.000 0.621 477 K N 0.519 120.920 120.400 0.002 0.000 2.432 477 K HA -0.095 4.225 4.320 0.000 0.000 0.196 477 K C 1.327 177.924 176.600 -0.005 0.000 1.038 477 K CA 0.990 57.276 56.287 -0.001 0.000 0.986 477 K CB 0.332 32.831 32.500 -0.001 0.000 0.782 477 K HN 0.325 nan 8.250 nan 0.000 0.485 478 D N 1.042 121.439 120.400 -0.005 0.000 2.219 478 D HA -0.150 4.490 4.640 0.000 0.000 0.205 478 D C 0.606 176.898 176.300 -0.013 0.000 0.970 478 D CA 0.557 54.553 54.000 -0.008 0.000 0.851 478 D CB -0.001 40.795 40.800 -0.007 0.000 0.943 478 D HN 0.122 nan 8.370 nan 0.000 0.488 479 I N 1.339 121.901 120.570 -0.012 0.000 2.436 479 I HA 0.031 4.201 4.170 0.000 0.000 0.289 479 I C 0.720 176.823 176.117 -0.024 0.000 1.083 479 I CA -0.288 61.002 61.300 -0.018 0.000 1.372 479 I CB 0.697 38.690 38.000 -0.012 0.000 1.408 479 I HN -0.118 nan 8.210 nan 0.000 0.516 480 K N 7.340 127.720 120.400 -0.033 0.000 2.143 480 K HA 0.632 4.952 4.320 0.000 0.000 0.272 480 K C -1.253 175.314 176.600 -0.055 0.000 1.001 480 K CA -0.508 55.755 56.287 -0.040 0.000 0.915 480 K CB 0.973 33.449 32.500 -0.041 0.000 1.047 480 K HN 0.518 nan 8.250 nan 0.000 0.458 481 L N 5.062 126.251 121.223 -0.057 0.000 2.346 481 L HA 0.500 4.840 4.340 0.000 0.000 0.276 481 L C -0.618 176.197 176.870 -0.091 0.000 1.006 481 L CA -0.949 53.846 54.840 -0.075 0.000 0.817 481 L CB 1.722 43.748 42.059 -0.055 0.000 1.272 481 L HN 0.591 nan 8.230 nan 0.000 0.421 482 I N 2.056 122.546 120.570 -0.133 0.000 2.355 482 I HA 0.227 4.397 4.170 0.000 0.000 0.288 482 I C -0.273 175.750 176.117 -0.158 0.000 0.999 482 I CA -0.328 60.885 61.300 -0.145 0.000 1.163 482 I CB 1.488 39.378 38.000 -0.184 0.000 1.316 482 I HN 0.530 nan 8.210 nan 0.000 0.454 483 D N 5.758 126.093 120.400 -0.108 0.000 2.256 483 D HA 0.199 4.839 4.640 0.000 0.000 0.250 483 D C 0.651 176.895 176.300 -0.094 0.000 1.093 483 D CA -0.244 53.701 54.000 -0.093 0.000 0.882 483 D CB 1.693 42.457 40.800 -0.060 0.000 1.185 483 D HN 0.474 nan 8.370 nan 0.000 0.437 484 I N 2.142 122.660 120.570 -0.087 0.000 2.810 484 I HA 0.295 4.466 4.170 0.000 0.000 0.262 484 I C 1.092 177.186 176.117 -0.037 0.000 1.131 484 I CA 0.170 61.442 61.300 -0.046 0.000 1.453 484 I CB -0.930 37.083 38.000 0.022 0.000 1.161 484 I HN 0.425 nan 8.210 nan 0.000 0.444 485 A N 1.739 124.523 122.820 -0.060 0.000 1.936 485 A HA -0.133 4.188 4.320 0.000 0.000 0.254 485 A C -0.025 177.526 177.584 -0.055 0.000 1.352 485 A CA 0.435 52.432 52.037 -0.067 0.000 0.724 485 A CB -2.423 16.549 19.000 -0.046 0.000 1.196 485 A HN 0.502 nan 8.150 nan 0.000 0.283 486 L N 1.795 122.967 121.223 -0.084 0.000 2.456 486 L HA 0.561 4.901 4.340 0.000 0.000 0.257 486 L C 1.427 178.265 176.870 -0.053 0.000 1.162 486 L CA 0.127 54.933 54.840 -0.056 0.000 0.808 486 L CB 1.288 43.307 42.059 -0.067 0.000 1.136 486 L HN 0.968 nan 8.230 nan 0.000 0.466 487 S N 0.364 116.051 115.700 -0.022 0.000 2.600 487 S HA 0.171 4.641 4.470 0.000 0.000 0.265 487 S C 0.945 175.541 174.600 -0.007 0.000 1.325 487 S CA -0.662 57.530 58.200 -0.013 0.000 1.002 487 S CB 0.991 64.190 63.200 -0.001 0.000 0.921 487 S HN 0.497 nan 8.310 nan 0.000 0.554 488 K N 1.340 121.742 120.400 0.003 0.000 2.063 488 K HA -0.089 4.231 4.320 0.000 0.000 0.208 488 K C 2.283 178.906 176.600 0.037 0.000 1.048 488 K CA 1.930 58.231 56.287 0.023 0.000 0.928 488 K CB -1.603 30.915 32.500 0.030 0.000 0.713 488 K HN 0.807 nan 8.250 nan 0.000 0.442 489 T N 2.228 116.797 114.554 0.026 0.000 2.580 489 T HA -0.174 4.177 4.350 0.000 0.000 0.265 489 T C 1.442 176.158 174.700 0.028 0.000 1.063 489 T CA 1.972 64.085 62.100 0.022 0.000 1.170 489 T CB -0.434 68.440 68.868 0.010 0.000 0.863 489 T HN 0.201 nan 8.240 nan 0.000 0.418 490 D N 1.125 121.541 120.400 0.027 0.000 2.149 490 D HA -0.094 4.546 4.640 0.000 0.000 0.198 490 D C 2.522 178.870 176.300 0.080 0.000 0.990 490 D CA 1.539 55.563 54.000 0.040 0.000 0.839 490 D CB -0.608 40.213 40.800 0.034 0.000 0.948 490 D HN 0.532 nan 8.370 nan 0.000 0.460 491 S N 0.190 115.939 115.700 0.082 0.000 2.400 491 S HA -0.131 4.339 4.470 0.000 0.000 0.232 491 S C 1.646 176.424 174.600 0.296 0.000 1.025 491 S CA 0.758 59.065 58.200 0.178 0.000 0.993 491 S CB -0.135 63.118 63.200 0.089 0.000 0.808 491 S HN 0.196 nan 8.310 nan 0.000 0.478 492 R N 0.429 121.026 120.500 0.161 0.000 2.586 492 R HA 0.339 4.679 4.340 0.000 0.000 0.336 492 R C 1.684 178.005 176.300 0.036 0.000 1.060 492 R CA -0.152 56.013 56.100 0.107 0.000 1.079 492 R CB 0.111 30.472 30.300 0.101 0.000 1.317 492 R HN 0.446 nan 8.270 nan 0.000 0.568 493 K N 0.496 120.894 120.400 -0.004 0.000 2.074 493 K HA -0.172 4.148 4.320 0.000 0.000 0.209 493 K C 0.376 176.774 176.600 -0.337 0.000 1.048 493 K CA 1.647 57.817 56.287 -0.195 0.000 0.926 493 K CB 0.073 32.395 32.500 -0.296 0.000 0.713 493 K HN 0.224 nan 8.250 nan 0.000 0.444 494 Y N 0.676 120.973 120.300 -0.005 0.000 2.571 494 Y HA 0.132 4.682 4.550 0.000 0.000 0.275 494 Y C 1.706 177.580 175.900 -0.043 0.000 1.179 494 Y CA -0.169 57.914 58.100 -0.027 0.000 1.242 494 Y CB 0.226 38.657 38.460 -0.050 0.000 1.126 494 Y HN 0.239 nan 8.280 nan 0.000 0.524 495 E N 0.883 121.123 120.200 0.066 0.000 2.049 495 E HA -0.265 4.085 4.350 0.000 0.000 0.198 495 E C 1.568 178.271 176.600 0.171 0.000 1.007 495 E CA 1.733 58.183 56.400 0.083 0.000 0.809 495 E CB 0.071 29.843 29.700 0.119 0.000 0.749 495 E HN 0.421 nan 8.360 nan 0.000 0.450 496 N N 0.060 118.844 118.700 0.139 0.000 2.142 496 N HA -0.114 4.627 4.740 0.000 0.000 0.186 496 N C 1.691 177.276 175.510 0.125 0.000 1.023 496 N CA 1.223 54.362 53.050 0.150 0.000 0.852 496 N CB -0.388 38.143 38.487 0.074 0.000 0.998 496 N HN 0.250 nan 8.380 nan 0.000 0.424 497 A N 0.798 123.674 122.820 0.093 0.000 1.940 497 A HA -0.090 4.231 4.320 0.000 0.000 0.219 497 A C 2.541 180.142 177.584 0.029 0.000 1.176 497 A CA 1.277 53.360 52.037 0.077 0.000 0.631 497 A CB -0.725 18.365 19.000 0.151 0.000 0.814 497 A HN 0.109 nan 8.150 nan 0.000 0.446 498 V N -2.256 117.662 119.914 0.007 0.000 2.270 498 V HA -0.268 3.852 4.120 0.000 0.000 0.245 498 V C 2.241 178.269 176.094 -0.111 0.000 1.043 498 V CA 1.786 64.033 62.300 -0.088 0.000 1.014 498 V CB -0.991 30.674 31.823 -0.263 0.000 0.645 498 V HN 0.807 nan 8.190 nan 0.000 0.447 499 W N 0.253 121.528 121.300 -0.042 0.000 2.350 499 W HA -0.163 4.497 4.660 0.000 0.000 0.289 499 W C 2.309 178.791 176.519 -0.062 0.000 1.215 499 W CA 1.171 58.485 57.345 -0.051 0.000 1.236 499 W CB -0.329 29.099 29.460 -0.053 0.000 1.130 499 W HN 0.278 nan 8.180 nan 0.000 0.541 500 D N -0.588 119.898 120.400 0.144 0.000 2.123 500 D HA -0.236 4.405 4.640 0.000 0.000 0.196 500 D C 1.931 178.189 176.300 -0.069 0.000 0.992 500 D CA 1.539 55.562 54.000 0.038 0.000 0.833 500 D CB -0.526 40.283 40.800 0.014 0.000 0.954 500 D HN 0.300 nan 8.370 nan 0.000 0.455 501 Q N -1.291 118.387 119.800 -0.203 0.000 2.163 501 Q HA -0.075 4.266 4.340 0.000 0.000 0.198 501 Q C 0.641 176.265 176.000 -0.626 0.000 0.954 501 Q CA 0.839 56.330 55.803 -0.521 0.000 0.851 501 Q CB 0.237 28.453 28.738 -0.869 0.000 0.928 501 Q HN 0.318 nan 8.270 nan 0.000 0.459 502 Y N -0.902 119.324 120.300 -0.123 0.000 2.641 502 Y HA 0.219 4.769 4.550 0.001 0.000 0.248 502 Y C 1.249 177.072 175.900 -0.128 0.000 1.170 502 Y CA -0.350 57.642 58.100 -0.181 0.000 1.201 502 Y CB 0.500 38.750 38.460 -0.350 0.000 1.232 502 Y HN 0.005 nan 8.280 nan 0.000 0.537 503 K N 1.506 121.988 120.400 0.136 0.000 2.089 503 K HA -0.269 4.051 4.320 0.000 0.000 0.210 503 K C 1.550 178.197 176.600 0.078 0.000 1.048 503 K CA 2.406 58.865 56.287 0.286 0.000 0.926 503 K CB -0.368 32.307 32.500 0.292 0.000 0.714 503 K HN 0.243 nan 8.250 nan 0.000 0.448 504 D N -0.323 120.102 120.400 0.041 0.000 2.265 504 D HA -0.119 4.521 4.640 0.000 0.000 0.208 504 D C 1.594 177.853 176.300 -0.067 0.000 0.977 504 D CA 0.934 54.932 54.000 -0.003 0.000 0.871 504 D CB -0.001 40.881 40.800 0.136 0.000 0.925 504 D HN 0.367 nan 8.370 nan 0.000 0.485 505 L N -0.979 120.240 121.223 -0.006 0.000 2.275 505 L HA 0.002 4.342 4.340 0.000 0.000 0.215 505 L C 0.778 177.697 176.870 0.083 0.000 1.119 505 L CA 0.115 54.975 54.840 0.034 0.000 0.790 505 L CB -0.073 41.921 42.059 -0.108 0.000 0.919 505 L HN 0.182 nan 8.230 nan 0.000 0.443 506 C N -0.503 118.799 119.300 0.004 0.000 2.481 506 C HA 0.408 4.868 4.460 0.000 0.000 0.324 506 C C 0.748 175.786 174.990 0.079 0.000 1.170 506 C CA -0.590 58.566 59.018 0.230 0.000 1.361 506 C CB 0.730 28.720 27.740 0.417 0.000 1.977 506 C HN 0.301 nan 8.230 nan 0.000 0.459 507 H N 4.274 123.563 119.070 0.364 0.000 2.581 507 H HA 0.123 4.680 4.556 0.000 0.000 0.275 507 H C 0.997 176.401 175.328 0.127 0.000 1.126 507 H CA -0.001 56.177 56.048 0.217 0.000 1.097 507 H CB 0.636 30.475 29.762 0.129 0.000 1.626 507 H HN 0.622 nan 8.280 nan 0.000 0.565 508 M N 0.356 120.067 119.600 0.185 0.000 2.502 508 M HA 0.028 4.508 4.480 0.000 0.000 0.243 508 M C 0.057 176.201 176.300 -0.261 0.000 1.130 508 M CA 0.690 55.905 55.300 -0.142 0.000 1.055 508 M CB 0.177 32.559 32.600 -0.364 0.000 1.457 508 M HN 0.084 nan 8.290 nan 0.000 0.488 509 H N 0.029 119.177 119.070 0.131 0.000 2.700 509 H HA 0.329 4.885 4.556 0.000 0.000 0.269 509 H C 0.903 176.235 175.328 0.007 0.000 1.222 509 H CA 0.491 56.586 56.048 0.079 0.000 1.254 509 H CB 0.234 30.052 29.762 0.093 0.000 1.413 509 H HN 0.295 nan 8.280 nan 0.000 0.507 510 T N -0.583 114.007 114.554 0.060 0.000 2.978 510 T HA 0.135 4.485 4.350 0.000 0.000 0.248 510 T C 1.315 176.011 174.700 -0.007 0.000 1.018 510 T CA 0.084 62.193 62.100 0.016 0.000 1.026 510 T CB 0.341 69.210 68.868 0.001 0.000 1.032 510 T HN 0.425 nan 8.240 nan 0.000 0.485 511 G N 2.453 111.253 108.800 -0.000 0.000 2.503 511 G HA2 0.487 4.448 3.960 0.000 0.000 0.257 511 G HA3 0.487 4.448 3.960 0.000 0.000 0.257 511 G C 0.052 174.913 174.900 -0.064 0.000 1.214 511 G CA -0.217 44.864 45.100 -0.032 0.000 0.839 511 G HN 0.793 nan 8.290 nan 0.000 0.559 512 V N -0.174 119.689 119.914 -0.086 0.000 2.637 512 V HA 0.593 4.714 4.120 0.000 0.000 0.296 512 V C 0.051 176.054 176.094 -0.152 0.000 1.046 512 V CA -0.630 61.603 62.300 -0.111 0.000 1.066 512 V CB 0.994 32.755 31.823 -0.105 0.000 0.968 512 V HN 0.445 nan 8.190 nan 0.000 0.483 513 V N 5.109 124.922 119.914 -0.169 0.000 2.680 513 V HA 0.763 4.883 4.120 0.000 0.000 0.309 513 V C 0.036 176.005 176.094 -0.208 0.000 1.052 513 V CA -0.134 62.034 62.300 -0.219 0.000 0.908 513 V CB 1.832 33.523 31.823 -0.220 0.000 1.001 513 V HN 1.181 nan 8.190 nan 0.000 0.431 514 V N 1.313 121.070 119.914 -0.263 0.000 2.914 514 V HA 0.888 5.008 4.120 0.000 0.000 0.314 514 V C -0.751 175.320 176.094 -0.038 0.000 1.084 514 V CA -0.700 61.493 62.300 -0.177 0.000 0.963 514 V CB 2.001 33.698 31.823 -0.210 0.000 1.025 514 V HN 1.051 nan 8.190 nan 0.000 0.432 515 E N 1.523 121.749 120.200 0.042 0.000 2.248 515 E HA 0.558 4.909 4.350 0.000 0.000 0.267 515 E C -1.090 175.580 176.600 0.116 0.000 0.877 515 E CA -1.091 55.394 56.400 0.141 0.000 0.759 515 E CB 2.319 32.078 29.700 0.099 0.000 1.182 515 E HN 0.654 nan 8.360 nan 0.000 0.418 516 K N 2.312 122.802 120.400 0.149 0.000 2.489 516 K HA 0.047 4.368 4.320 0.000 0.000 0.278 516 K C 0.047 176.676 176.600 0.048 0.000 1.000 516 K CA 0.185 56.526 56.287 0.090 0.000 1.012 516 K CB 0.705 33.245 32.500 0.067 0.000 0.903 516 K HN 0.367 nan 8.250 nan 0.000 0.485 523 E N 1.418 121.616 120.200 -0.003 0.000 2.312 523 E HA 0.358 4.708 4.350 0.000 0.000 0.267 523 E C -1.105 175.473 176.600 -0.036 0.000 0.894 523 E CA -1.114 55.276 56.400 -0.017 0.000 0.773 523 E CB 2.284 31.979 29.700 -0.009 0.000 1.241 523 E HN 0.552 nan 8.360 nan 0.000 0.432 524 E N 1.742 121.914 120.200 -0.048 0.000 2.313 524 E HA 0.366 4.716 4.350 0.000 0.000 0.276 524 E C -0.115 176.446 176.600 -0.064 0.000 1.031 524 E CA -0.316 56.042 56.400 -0.069 0.000 0.857 524 E CB 1.117 30.774 29.700 -0.071 0.000 1.040 524 E HN 0.457 nan 8.360 nan 0.000 0.408 525 I N -1.749 118.770 120.570 -0.085 0.000 3.174 525 I HA 0.448 4.618 4.170 0.000 0.000 0.313 525 I C -0.361 175.683 176.117 -0.122 0.000 1.155 525 I CA -1.032 60.221 61.300 -0.079 0.000 0.977 525 I CB 2.194 40.158 38.000 -0.061 0.000 1.248 525 I HN 0.103 nan 8.210 nan 0.000 0.453 526 T N 3.720 118.212 114.554 -0.103 0.000 2.794 526 T HA 0.347 4.697 4.350 0.000 0.000 0.296 526 T C -2.396 172.197 174.700 -0.178 0.000 0.949 526 T CA -0.624 61.378 62.100 -0.164 0.000 1.101 526 T CB 0.342 69.126 68.868 -0.138 0.000 0.905 526 T HN 0.441 nan 8.240 nan 0.000 0.516 527 P HA 0.124 nan 4.420 nan 0.000 0.269 527 P C -0.368 176.888 177.300 -0.073 0.000 1.209 527 P CA -0.179 62.804 63.100 -0.195 0.000 0.776 527 P CB 0.281 31.922 31.700 -0.097 0.000 0.876 528 H N -0.213 118.864 119.070 0.012 0.000 2.525 528 H HA 0.437 4.994 4.556 0.000 0.000 0.339 528 H C -0.141 175.129 175.328 -0.097 0.000 1.109 528 H CA -0.728 55.333 56.048 0.022 0.000 1.352 528 H CB 0.700 30.502 29.762 0.067 0.000 1.461 528 H HN 0.425 nan 8.280 nan 0.000 0.533 529 C N 3.075 122.382 119.300 0.011 0.000 2.481 529 C HA 0.575 5.035 4.460 0.000 0.000 0.324 529 C C 1.673 176.622 174.990 -0.068 0.000 1.170 529 C CA -0.085 58.876 59.018 -0.095 0.000 1.361 529 C CB -0.555 27.076 27.740 -0.181 0.000 1.977 529 C HN 1.012 nan 8.230 nan 0.000 0.459 530 A N 4.016 126.855 122.820 0.030 0.000 1.915 530 A HA -0.196 4.125 4.320 0.000 0.000 0.220 530 A C 1.858 179.314 177.584 -0.213 0.000 1.198 530 A CA 2.492 54.499 52.037 -0.049 0.000 0.647 530 A CB -0.664 18.341 19.000 0.008 0.000 0.825 530 A HN 1.271 nan 8.150 nan 0.000 0.456 531 L N -0.989 120.017 121.223 -0.361 0.000 1.988 531 L HA -0.100 4.241 4.340 0.000 0.000 0.207 531 L C 2.362 178.831 176.870 -0.669 0.000 1.071 531 L CA 2.246 56.745 54.840 -0.568 0.000 0.744 531 L CB -0.637 40.876 42.059 -0.910 0.000 0.893 531 L HN 0.344 nan 8.230 nan 0.000 0.433 532 M N -0.564 118.595 119.600 -0.735 0.000 2.202 532 M HA -0.189 4.291 4.480 0.000 0.000 0.262 532 M C 1.907 177.742 176.300 -0.774 0.000 1.063 532 M CA 1.262 56.034 55.300 -0.881 0.000 1.097 532 M CB -1.574 30.250 32.600 -1.294 0.000 1.382 532 M HN 0.291 nan 8.290 nan 0.000 0.413 533 D N 0.376 120.367 120.400 -0.681 0.000 2.087 533 D HA -0.121 4.519 4.640 0.000 0.000 0.192 533 D C 2.192 177.906 176.300 -0.978 0.000 0.993 533 D CA 1.300 54.737 54.000 -0.939 0.000 0.828 533 D CB -0.370 40.047 40.800 -0.639 0.000 0.968 533 D HN 0.333 nan 8.370 nan 0.000 0.448 534 C N 0.558 119.549 119.300 -0.515 0.000 2.363 534 C HA -0.202 4.259 4.460 0.000 0.000 0.274 534 C C 2.855 177.440 174.990 -0.675 0.000 1.183 534 C CA 0.494 59.292 59.018 -0.367 0.000 1.771 534 C CB -1.182 26.492 27.740 -0.109 0.000 2.059 534 C HN 0.369 nan 8.230 nan 0.000 0.455 535 I N 1.162 121.270 120.570 -0.769 0.000 2.252 535 I HA -0.255 3.916 4.170 0.000 0.000 0.245 535 I C 2.614 178.389 176.117 -0.570 0.000 1.102 535 I CA 2.105 62.929 61.300 -0.793 0.000 1.385 535 I CB -0.509 36.897 38.000 -0.989 0.000 1.064 535 I HN 0.503 nan 8.210 nan 0.000 0.414 536 M N -0.370 118.876 119.600 -0.590 0.000 2.349 536 M HA -0.067 4.413 4.480 0.000 0.000 0.266 536 M C 1.799 177.941 176.300 -0.264 0.000 1.076 536 M CA 1.707 56.778 55.300 -0.382 0.000 1.126 536 M CB -0.374 32.010 32.600 -0.359 0.000 1.392 536 M HN -0.062 nan 8.290 nan 0.000 0.440 537 F N 1.787 121.459 119.950 -0.464 0.000 2.163 537 F HA -0.053 4.474 4.527 0.000 0.000 0.297 537 F C 2.157 177.484 175.800 -0.787 0.000 1.094 537 F CA 1.417 59.074 58.000 -0.573 0.000 1.290 537 F CB -1.424 37.154 39.000 -0.703 0.000 1.017 537 F HN 0.331 nan 8.300 nan 0.000 0.483 538 D N 0.029 119.870 120.400 -0.933 0.000 2.149 538 D HA -0.155 4.485 4.640 0.000 0.000 0.198 538 D C 2.204 178.392 176.300 -0.187 0.000 0.990 538 D CA 1.337 55.014 54.000 -0.539 0.000 0.839 538 D CB -0.094 40.461 40.800 -0.408 0.000 0.948 538 D HN 0.129 nan 8.370 nan 0.000 0.460 539 A N 0.371 123.040 122.820 -0.252 0.000 1.930 539 A HA 0.101 4.421 4.320 0.000 0.000 0.217 539 A C 2.378 179.815 177.584 -0.245 0.000 1.175 539 A CA 1.865 53.698 52.037 -0.339 0.000 0.627 539 A CB -1.055 17.624 19.000 -0.535 0.000 0.815 539 A HN 0.315 nan 8.150 nan 0.000 0.443 540 A N -0.268 122.573 122.820 0.034 0.000 1.873 540 A HA -0.107 4.213 4.320 0.000 0.000 0.218 540 A C 2.257 179.931 177.584 0.149 0.000 1.193 540 A CA 2.242 54.413 52.037 0.223 0.000 0.629 540 A CB -1.111 18.020 19.000 0.218 0.000 0.826 540 A HN 0.458 nan 8.150 nan 0.000 0.447 541 V N -0.674 119.314 119.914 0.123 0.000 2.244 541 V HA -0.187 3.933 4.120 0.000 0.000 0.244 541 V C 2.615 178.760 176.094 0.086 0.000 1.042 541 V CA 2.221 64.602 62.300 0.134 0.000 1.006 541 V CB -1.069 30.888 31.823 0.223 0.000 0.641 541 V HN 0.518 nan 8.190 nan 0.000 0.446 542 S N -0.025 115.706 115.700 0.052 0.000 2.493 542 S HA -0.041 4.429 4.470 0.000 0.000 0.243 542 S C 1.666 176.253 174.600 -0.022 0.000 0.991 542 S CA 0.934 59.137 58.200 0.006 0.000 0.957 542 S CB -0.726 62.455 63.200 -0.032 0.000 0.756 542 S HN 1.055 nan 8.310 nan 0.000 0.521 543 G N 0.791 109.586 108.800 -0.009 0.000 2.296 543 G HA2 -0.050 3.910 3.960 0.000 0.000 0.282 543 G HA3 -0.050 3.910 3.960 0.000 0.000 0.282 543 G C 0.235 175.120 174.900 -0.024 0.000 1.014 543 G CA 0.323 45.460 45.100 0.062 0.000 0.812 543 G HN 1.044 nan 8.290 nan 0.000 0.508 544 G N -2.067 106.525 108.800 -0.346 0.000 2.411 544 G HA2 0.617 4.578 3.960 0.000 0.000 0.295 544 G HA3 0.617 4.578 3.960 0.000 0.000 0.295 544 G C -1.244 173.407 174.900 -0.415 0.000 1.542 544 G CA -0.061 44.823 45.100 -0.361 0.000 0.814 544 G HN 1.069 nan 8.290 nan 0.000 0.557 549 V N 2.274 122.290 119.914 0.170 0.000 2.843 549 V HA 0.630 4.750 4.120 0.000 0.000 0.305 549 V C -0.354 175.870 176.094 0.216 0.000 1.065 549 V CA -0.341 62.077 62.300 0.197 0.000 1.116 549 V CB 0.283 32.194 31.823 0.148 0.000 0.968 549 V HN 0.674 nan 8.190 nan 0.000 0.487 550 L N 4.305 125.675 121.223 0.245 0.000 2.341 550 L HA 0.573 4.913 4.340 0.000 0.000 0.278 550 L C 0.357 177.454 176.870 0.378 0.000 1.005 550 L CA -0.280 54.729 54.840 0.281 0.000 0.818 550 L CB 1.725 43.833 42.059 0.083 0.000 1.259 550 L HN 0.645 nan 8.230 nan 0.000 0.418 551 R N 2.393 123.069 120.500 0.293 0.000 2.297 551 R HA 0.661 5.001 4.340 0.000 0.000 0.308 551 R C -0.376 175.824 176.300 -0.167 0.000 1.029 551 R CA -0.697 55.476 56.100 0.121 0.000 0.929 551 R CB 1.357 31.699 30.300 0.070 0.000 1.046 551 R HN 0.713 nan 8.270 nan 0.000 0.461 552 A N 3.066 125.718 122.820 -0.281 0.000 2.409 552 A HA 0.162 4.482 4.320 0.000 0.000 0.267 552 A C 1.290 178.691 177.584 -0.306 0.000 1.127 552 A CA -0.509 51.167 52.037 -0.601 0.000 0.795 552 A CB 0.603 19.450 19.000 -0.255 0.000 1.061 552 A HN 0.627 nan 8.150 nan 0.000 0.502 553 V N 3.526 123.249 119.914 -0.318 0.000 2.323 553 V HA -0.083 4.038 4.120 0.000 0.000 0.244 553 V C 1.112 177.149 176.094 -0.096 0.000 1.041 553 V CA 1.139 63.355 62.300 -0.140 0.000 1.025 553 V CB -0.614 31.153 31.823 -0.093 0.000 0.656 553 V HN 0.686 nan 8.190 nan 0.000 0.451 554 L N 2.056 123.221 121.223 -0.097 0.000 2.290 554 L HA 0.306 4.646 4.340 0.000 0.000 0.284 554 L C -2.268 174.595 176.870 -0.011 0.000 1.078 554 L CA -1.706 53.105 54.840 -0.047 0.000 0.815 554 L CB 0.600 42.640 42.059 -0.031 0.000 1.162 554 L HN 0.151 nan 8.230 nan 0.000 0.435 555 P HA 0.006 nan 4.420 nan 0.000 0.262 555 P C 0.424 177.781 177.300 0.095 0.000 1.182 555 P CA 0.020 63.150 63.100 0.051 0.000 0.761 555 P CB 0.517 32.240 31.700 0.038 0.000 0.795 556 R N 3.443 124.024 120.500 0.135 0.000 2.105 556 R HA -0.185 4.156 4.340 0.000 0.000 0.239 556 R C 1.036 177.475 176.300 0.232 0.000 1.135 556 R CA 2.055 58.274 56.100 0.198 0.000 0.967 556 R CB -0.366 30.043 30.300 0.181 0.000 0.861 556 R HN 0.510 nan 8.270 nan 0.000 0.442 557 D N -0.235 120.282 120.400 0.194 0.000 2.378 557 D HA -0.199 4.441 4.640 0.000 0.000 0.222 557 D C 1.691 178.078 176.300 0.144 0.000 0.980 557 D CA 0.800 54.919 54.000 0.199 0.000 0.907 557 D CB -0.229 40.712 40.800 0.234 0.000 0.899 557 D HN 0.367 nan 8.370 nan 0.000 0.527 558 M N -0.059 119.604 119.600 0.105 0.000 2.486 558 M HA 0.015 4.495 4.480 0.000 0.000 0.264 558 M C 1.344 177.670 176.300 0.043 0.000 1.125 558 M CA 0.445 55.769 55.300 0.039 0.000 1.144 558 M CB 0.390 32.978 32.600 -0.019 0.000 1.353 558 M HN -0.103 nan 8.290 nan 0.000 0.466 559 V N 0.364 120.347 119.914 0.114 0.000 2.358 559 V HA -0.104 4.016 4.120 0.000 0.000 0.246 559 V C 0.722 176.806 176.094 -0.016 0.000 1.047 559 V CA 1.311 63.664 62.300 0.088 0.000 1.035 559 V CB -0.615 31.343 31.823 0.226 0.000 0.658 559 V HN 0.240 nan 8.190 nan 0.000 0.452 560 F N -0.054 119.970 119.950 0.122 0.000 2.470 560 F HA 0.609 5.137 4.527 0.001 0.000 0.329 560 F C 0.758 176.606 175.800 0.081 0.000 1.072 560 F CA -0.972 57.095 58.000 0.112 0.000 0.989 560 F CB 1.118 40.185 39.000 0.112 0.000 1.193 560 F HN 0.022 nan 8.300 nan 0.000 0.481 561 R N 0.000 120.638 120.500 0.229 0.000 2.786 561 R HA 0.000 4.340 4.340 0.000 0.000 0.208 561 R CA 0.000 56.190 56.100 0.149 0.000 0.921 561 R CB 0.000 30.349 30.300 0.082 0.000 0.687 561 R HN 0.000 nan 8.270 nan 0.000 0.535