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 2b1g_1_B DATA FIRST_RESID 4 DATA SEQUENCE RQQLALLSVS EKAGLVEFAR SLNALGLGLI ASGGTATALR DAGLPVRDVS DATA SEQUENCE DLTGFPEMLG GRVKTLHPAV HAGILARNIP EDNADMNKQD FSLVRVVVCN DATA SEQUENCE LYPFVKTVSS PGVTVPEAVE KIDIGGVALL RAAAKNHARV TVVCDPADYS DATA SEQUENCE SVAKEMAASK DKDTSVETRR HLALKAFTHT AQYDAAISDY FRKEYSKGVS DATA SEQUENCE QLPLRYGMNP HQSPAQLYTT RPKLPLTVVN GSPGFINLCD ALNAWQLVKE DATA SEQUENCE LKQALGIPAA ASFKHVSPAG AAVGIPLSEE EAQVCMVHDL HKTLTPLASA DATA SEQUENCE YARSRGADRM SSFGDFIALS DICDVPTAKI ISREVSDGVV APGYEEEALK DATA SEQUENCE ILSKKKNGGY CVLQMDPNYE PDDNEIRTLY GLQLMQKRNN AVIDRSLFKN DATA SEQUENCE IVTKNKTLPE SAVRDLIVAS IAVKYTQSNS VCYAKDGQVI GIGAGQQSRI DATA SEQUENCE HCTRLAGDKA NSWWLRHHPR VLSMKFKAGV KRAEVSNAID QYVTGTIGED DATA SEQUENCE EDLVKWQAMF EEVPAQLTEA EKKQWIAKLT AVSLSSDAFF PFRDNVDRAK DATA SEQUENCE RIGVQFIVAP SGSAADEVVI EACNELGITL IHTNLRLFHH 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 4 R HA 0.000 nan 4.340 nan 0.000 0.208 4 R C 0.000 176.304 176.300 0.006 0.000 0.893 4 R CA 0.000 56.105 56.100 0.008 0.000 0.921 4 R CB 0.000 30.308 30.300 0.013 0.000 0.687 5 Q N 3.258 123.060 119.800 0.004 0.000 2.330 5 Q HA 0.059 4.446 4.340 0.079 0.000 0.279 5 Q C -0.724 175.275 176.000 -0.001 0.000 1.024 5 Q CA 0.473 56.275 55.803 -0.002 0.000 0.900 5 Q CB 0.847 29.581 28.738 -0.006 0.000 1.221 5 Q HN 0.551 nan 8.270 nan 0.000 0.396 6 Q N 2.817 122.612 119.800 -0.009 0.000 2.215 6 Q HA 0.523 4.910 4.340 0.079 0.000 0.256 6 Q C -0.730 175.256 176.000 -0.024 0.000 0.972 6 Q CA -0.611 55.186 55.803 -0.011 0.000 0.889 6 Q CB 1.357 30.088 28.738 -0.011 0.000 1.281 6 Q HN 0.576 nan 8.270 nan 0.000 0.456 7 L N 0.350 121.556 121.223 -0.028 0.000 2.333 7 L HA 0.784 5.171 4.340 0.079 0.000 0.269 7 L C -0.611 176.226 176.870 -0.056 0.000 1.010 7 L CA -1.060 53.755 54.840 -0.042 0.000 0.818 7 L CB 1.809 43.845 42.059 -0.038 0.000 1.306 7 L HN 0.600 nan 8.230 nan 0.000 0.430 8 A N 2.395 125.172 122.820 -0.073 0.000 2.318 8 A HA 0.735 5.102 4.320 0.079 0.000 0.324 8 A C -1.230 176.308 177.584 -0.077 0.000 1.170 8 A CA -0.418 51.566 52.037 -0.087 0.000 0.810 8 A CB 1.353 20.273 19.000 -0.134 0.000 1.198 8 A HN 0.509 nan 8.150 nan 0.000 0.484 9 L N 3.403 124.586 121.223 -0.067 0.000 2.305 9 L HA 0.730 5.117 4.340 0.079 0.000 0.284 9 L C -1.442 175.403 176.870 -0.042 0.000 1.013 9 L CA -0.418 54.386 54.840 -0.060 0.000 0.819 9 L CB 0.960 42.976 42.059 -0.072 0.000 1.227 9 L HN 0.543 nan 8.230 nan 0.000 0.417 10 L N 4.433 125.634 121.223 -0.037 0.000 2.333 10 L HA 0.707 5.094 4.340 0.079 0.000 0.280 10 L C 0.021 176.889 176.870 -0.003 0.000 1.004 10 L CA -0.139 54.692 54.840 -0.014 0.000 0.820 10 L CB 1.904 43.947 42.059 -0.027 0.000 1.247 10 L HN 0.640 nan 8.230 nan 0.000 0.416 11 S N 2.806 118.515 115.700 0.016 0.000 2.397 11 S HA 0.568 5.085 4.470 0.079 0.000 0.190 11 S C -0.973 173.650 174.600 0.038 0.000 1.100 11 S CA -0.567 57.644 58.200 0.018 0.000 1.150 11 S CB 0.472 63.675 63.200 0.005 0.000 1.302 11 S HN 0.425 nan 8.310 nan 0.000 0.417 12 V N 2.026 121.971 119.914 0.053 0.000 2.628 12 V HA 0.769 4.936 4.120 0.079 0.000 0.306 12 V C 1.089 177.224 176.094 0.067 0.000 1.045 12 V CA -0.278 62.067 62.300 0.075 0.000 0.905 12 V CB 1.381 33.274 31.823 0.117 0.000 0.997 12 V HN 0.550 nan 8.190 nan 0.000 0.436 13 S N 1.646 117.395 115.700 0.082 0.000 2.371 13 S HA 0.004 4.521 4.470 0.079 0.000 0.221 13 S C 0.974 175.633 174.600 0.099 0.000 1.036 13 S CA 1.070 59.325 58.200 0.092 0.000 0.965 13 S CB -0.211 63.084 63.200 0.159 0.000 0.845 13 S HN 0.990 nan 8.310 nan 0.000 0.475 14 E N 1.234 121.497 120.200 0.105 0.000 2.105 14 E HA 0.304 4.701 4.350 0.079 0.000 0.285 14 E C -0.091 176.561 176.600 0.087 0.000 1.055 14 E CA 0.057 56.508 56.400 0.086 0.000 0.843 14 E CB 1.073 30.808 29.700 0.058 0.000 1.067 14 E HN 0.081 nan 8.360 nan 0.000 0.398 15 K N 2.788 123.236 120.400 0.081 0.000 2.444 15 K HA 0.328 4.696 4.320 0.079 0.000 0.193 15 K C -0.104 176.563 176.600 0.111 0.000 1.024 15 K CA 0.349 56.692 56.287 0.095 0.000 1.077 15 K CB 0.234 32.773 32.500 0.064 0.000 0.833 15 K HN 0.543 nan 8.250 nan 0.000 0.517 16 A N 0.517 123.391 122.820 0.090 0.000 2.566 16 A HA 0.365 4.733 4.320 0.079 0.000 0.245 16 A C 1.360 179.041 177.584 0.162 0.000 1.056 16 A CA 0.758 52.843 52.037 0.080 0.000 0.757 16 A CB -0.740 18.273 19.000 0.021 0.000 0.979 16 A HN 0.562 nan 8.150 nan 0.000 0.508 17 G N 1.380 110.274 108.800 0.157 0.000 2.186 17 G HA2 -0.307 3.700 3.960 0.079 0.000 0.266 17 G HA3 -0.307 3.700 3.960 0.079 0.000 0.266 17 G C 0.812 175.873 174.900 0.268 0.000 0.982 17 G CA 0.953 46.194 45.100 0.234 0.000 0.670 17 G HN 1.634 nan 8.290 nan 0.000 0.533 18 L N 0.120 121.472 121.223 0.215 0.000 2.046 18 L HA 0.089 4.476 4.340 0.079 0.000 0.208 18 L C 2.760 179.642 176.870 0.020 0.000 1.077 18 L CA 2.607 57.503 54.840 0.093 0.000 0.747 18 L CB -0.344 41.779 42.059 0.107 0.000 0.896 18 L HN 0.179 nan 8.230 nan 0.000 0.432 19 V N -0.261 119.676 119.914 0.039 0.000 2.323 19 V HA -0.255 3.912 4.120 0.079 0.000 0.244 19 V C 2.559 178.659 176.094 0.010 0.000 1.041 19 V CA 1.958 64.265 62.300 0.012 0.000 1.025 19 V CB -0.648 31.186 31.823 0.017 0.000 0.656 19 V HN 0.561 nan 8.190 nan 0.000 0.451 20 E N -0.546 119.681 120.200 0.046 0.000 2.097 20 E HA -0.280 4.117 4.350 0.079 0.000 0.196 20 E C 2.081 178.727 176.600 0.076 0.000 1.000 20 E CA 1.731 58.166 56.400 0.059 0.000 0.804 20 E CB -0.140 29.611 29.700 0.085 0.000 0.740 20 E HN 0.540 nan 8.360 nan 0.000 0.454 21 F N 0.680 120.540 119.950 -0.151 0.000 2.163 21 F HA 0.050 4.625 4.527 0.079 0.000 0.297 21 F C 2.058 177.726 175.800 -0.219 0.000 1.094 21 F CA 1.228 59.071 58.000 -0.261 0.000 1.290 21 F CB -0.601 37.992 39.000 -0.679 0.000 1.017 21 F HN 0.034 nan 8.300 nan 0.000 0.483 22 A N 0.207 122.873 122.820 -0.256 0.000 1.972 22 A HA -0.181 4.187 4.320 0.079 0.000 0.219 22 A C 2.261 179.718 177.584 -0.212 0.000 1.169 22 A CA 1.587 53.453 52.037 -0.285 0.000 0.635 22 A CB -0.757 18.145 19.000 -0.163 0.000 0.810 22 A HN 0.376 nan 8.150 nan 0.000 0.446 23 R N 0.305 120.726 120.500 -0.131 0.000 2.094 23 R HA -0.132 4.255 4.340 0.079 0.000 0.239 23 R C 2.318 178.551 176.300 -0.112 0.000 1.137 23 R CA 2.318 58.364 56.100 -0.090 0.000 0.943 23 R CB -0.555 29.719 30.300 -0.043 0.000 0.850 23 R HN 0.447 nan 8.270 nan 0.000 0.433 24 S N 0.148 115.768 115.700 -0.134 0.000 2.383 24 S HA -0.061 4.457 4.470 0.079 0.000 0.227 24 S C 1.785 176.272 174.600 -0.188 0.000 1.026 24 S CA 1.256 59.381 58.200 -0.124 0.000 0.981 24 S CB -0.180 62.979 63.200 -0.068 0.000 0.818 24 S HN 0.261 nan 8.310 nan 0.000 0.472 25 L N 1.437 122.468 121.223 -0.319 0.000 2.072 25 L HA -0.068 4.320 4.340 0.079 0.000 0.205 25 L C 2.420 179.183 176.870 -0.178 0.000 1.079 25 L CA 1.166 55.829 54.840 -0.295 0.000 0.752 25 L CB -0.751 41.053 42.059 -0.425 0.000 0.906 25 L HN 0.284 nan 8.230 nan 0.000 0.436 26 N N 0.802 119.406 118.700 -0.160 0.000 2.061 26 N HA -0.231 4.556 4.740 0.079 0.000 0.193 26 N C 1.801 177.263 175.510 -0.081 0.000 1.030 26 N CA 1.808 54.795 53.050 -0.106 0.000 0.856 26 N CB -0.120 38.312 38.487 -0.092 0.000 1.023 26 N HN 0.287 nan 8.380 nan 0.000 0.424 27 A N 0.261 123.035 122.820 -0.078 0.000 2.024 27 A HA -0.045 4.322 4.320 0.079 0.000 0.220 27 A C 1.995 179.550 177.584 -0.048 0.000 1.164 27 A CA 1.011 53.016 52.037 -0.054 0.000 0.643 27 A CB -0.747 18.225 19.000 -0.046 0.000 0.806 27 A HN 0.424 nan 8.150 nan 0.000 0.451 28 L N -1.152 120.035 121.223 -0.061 0.000 2.610 28 L HA 0.161 4.548 4.340 0.079 0.000 0.232 28 L C 1.637 178.482 176.870 -0.043 0.000 1.149 28 L CA 0.462 55.272 54.840 -0.049 0.000 0.872 28 L CB -0.611 41.413 42.059 -0.057 0.000 0.992 28 L HN 0.560 nan 8.230 nan 0.000 0.447 29 G N 0.419 109.192 108.800 -0.046 0.000 2.143 29 G HA2 -0.274 3.733 3.960 0.079 0.000 0.249 29 G HA3 -0.274 3.733 3.960 0.079 0.000 0.249 29 G C 0.162 175.037 174.900 -0.042 0.000 0.981 29 G CA -0.284 44.793 45.100 -0.038 0.000 0.665 29 G HN 0.243 nan 8.290 nan 0.000 0.528 30 L N 1.138 122.325 121.223 -0.059 0.000 2.367 30 L HA 0.526 4.913 4.340 0.079 0.000 0.275 30 L C 1.403 178.234 176.870 -0.064 0.000 1.129 30 L CA 0.011 54.813 54.840 -0.064 0.000 0.839 30 L CB 1.105 43.110 42.059 -0.090 0.000 1.133 30 L HN 0.195 nan 8.230 nan 0.000 0.453 31 G N 4.363 113.132 108.800 -0.052 0.000 2.360 31 G HA2 0.370 4.377 3.960 0.079 0.000 0.279 31 G HA3 0.370 4.377 3.960 0.079 0.000 0.279 31 G C -0.387 174.477 174.900 -0.059 0.000 1.189 31 G CA -0.582 44.489 45.100 -0.048 0.000 0.941 31 G HN 0.218 nan 8.290 nan 0.000 0.445 32 L N 2.751 123.935 121.223 -0.065 0.000 2.380 32 L HA 0.448 4.836 4.340 0.079 0.000 0.273 32 L C 0.432 177.268 176.870 -0.057 0.000 1.138 32 L CA -0.185 54.612 54.840 -0.072 0.000 0.832 32 L CB 0.994 43.006 42.059 -0.078 0.000 1.124 32 L HN 0.369 nan 8.230 nan 0.000 0.454 33 I N 2.762 123.298 120.570 -0.058 0.000 2.569 33 I HA 0.741 4.959 4.170 0.079 0.000 0.290 33 I C -0.382 175.708 176.117 -0.045 0.000 1.088 33 I CA -0.353 60.918 61.300 -0.049 0.000 1.047 33 I CB 1.944 39.913 38.000 -0.051 0.000 1.237 33 I HN 0.721 nan 8.210 nan 0.000 0.421 34 A N 3.816 126.615 122.820 -0.036 0.000 2.564 34 A HA 0.935 5.302 4.320 0.079 0.000 0.291 34 A C -1.300 176.272 177.584 -0.020 0.000 1.102 34 A CA -0.495 51.526 52.037 -0.027 0.000 0.660 34 A CB 2.008 20.993 19.000 -0.025 0.000 1.283 34 A HN 0.514 nan 8.150 nan 0.000 0.430 35 S N -1.556 114.136 115.700 -0.013 0.000 2.638 35 S HA 0.833 5.350 4.470 0.079 0.000 0.274 35 S C 0.511 175.109 174.600 -0.004 0.000 1.157 35 S CA 0.534 58.729 58.200 -0.008 0.000 0.826 35 S CB 1.347 64.544 63.200 -0.005 0.000 1.139 35 S HN 2.744 nan 8.310 nan 0.000 0.474 36 G N 1.442 110.241 108.800 -0.002 0.000 2.583 36 G HA2 -0.240 3.768 3.960 0.079 0.000 0.292 36 G HA3 -0.240 3.768 3.960 0.079 0.000 0.292 36 G C 1.028 175.927 174.900 -0.002 0.000 1.203 36 G CA 0.617 45.717 45.100 -0.001 0.000 0.987 36 G HN 1.469 nan 8.290 nan 0.000 0.554 37 G N -1.503 107.296 108.800 -0.002 0.000 2.421 37 G HA2 0.144 4.151 3.960 0.079 0.000 0.217 37 G HA3 0.144 4.151 3.960 0.079 0.000 0.217 37 G C 1.814 176.716 174.900 0.002 0.000 1.143 37 G CA 2.343 47.442 45.100 -0.002 0.000 0.784 37 G HN 0.988 nan 8.290 nan 0.000 0.541 38 T N 1.610 116.167 114.554 0.005 0.000 2.737 38 T HA 0.036 4.433 4.350 0.079 0.000 0.265 38 T C 2.845 177.544 174.700 -0.002 0.000 1.038 38 T CA 1.444 63.549 62.100 0.007 0.000 1.144 38 T CB -0.352 68.523 68.868 0.011 0.000 0.866 38 T HN 0.336 nan 8.240 nan 0.000 0.434 39 A N 1.186 124.003 122.820 -0.006 0.000 1.933 39 A HA -0.120 4.248 4.320 0.079 0.000 0.218 39 A C 2.519 180.098 177.584 -0.009 0.000 1.175 39 A CA 2.043 54.074 52.037 -0.011 0.000 0.628 39 A CB -1.185 17.808 19.000 -0.012 0.000 0.814 39 A HN 0.482 nan 8.150 nan 0.000 0.444 40 T N 0.337 114.887 114.554 -0.006 0.000 2.674 40 T HA -0.022 4.375 4.350 0.079 0.000 0.265 40 T C 2.291 176.989 174.700 -0.004 0.000 1.039 40 T CA 1.662 63.759 62.100 -0.005 0.000 1.150 40 T CB -0.553 68.313 68.868 -0.004 0.000 0.864 40 T HN 0.609 nan 8.240 nan 0.000 0.427 41 A N 1.346 124.166 122.820 -0.000 0.000 1.917 41 A HA -0.064 4.304 4.320 0.079 0.000 0.219 41 A C 2.334 179.917 177.584 -0.002 0.000 1.182 41 A CA 1.414 53.453 52.037 0.003 0.000 0.633 41 A CB -0.935 18.071 19.000 0.010 0.000 0.819 41 A HN 0.487 nan 8.150 nan 0.000 0.448 42 L N -1.673 119.545 121.223 -0.008 0.000 2.072 42 L HA -0.141 4.246 4.340 0.079 0.000 0.205 42 L C 2.890 179.750 176.870 -0.018 0.000 1.079 42 L CA 1.423 56.252 54.840 -0.017 0.000 0.752 42 L CB -0.476 41.568 42.059 -0.026 0.000 0.906 42 L HN 0.348 nan 8.230 nan 0.000 0.436 43 R N -0.067 120.424 120.500 -0.015 0.000 2.073 43 R HA -0.117 4.270 4.340 0.079 0.000 0.229 43 R C 1.880 178.173 176.300 -0.011 0.000 1.120 43 R CA 1.259 57.350 56.100 -0.014 0.000 0.967 43 R CB -0.244 30.049 30.300 -0.013 0.000 0.862 43 R HN 0.298 nan 8.270 nan 0.000 0.436 44 D N 0.717 121.113 120.400 -0.008 0.000 2.218 44 D HA -0.109 4.578 4.640 0.079 0.000 0.204 44 D C 1.258 177.555 176.300 -0.005 0.000 0.976 44 D CA 1.198 55.195 54.000 -0.005 0.000 0.853 44 D CB -0.043 40.755 40.800 -0.003 0.000 0.939 44 D HN 0.247 nan 8.370 nan 0.000 0.481 45 A N -0.146 122.670 122.820 -0.006 0.000 2.276 45 A HA 0.398 4.765 4.320 0.079 0.000 0.212 45 A C 1.652 179.230 177.584 -0.010 0.000 1.230 45 A CA 0.833 52.867 52.037 -0.006 0.000 0.844 45 A CB -0.424 18.572 19.000 -0.005 0.000 0.860 45 A HN 0.216 nan 8.150 nan 0.000 0.486 46 G N -1.125 107.668 108.800 -0.011 0.000 2.160 46 G HA2 -0.223 3.784 3.960 0.079 0.000 0.251 46 G HA3 -0.223 3.784 3.960 0.079 0.000 0.251 46 G C -0.015 174.874 174.900 -0.018 0.000 1.008 46 G CA 0.462 45.554 45.100 -0.013 0.000 0.724 46 G HN 0.473 nan 8.290 nan 0.000 0.514 47 L N 0.956 122.166 121.223 -0.022 0.000 2.343 47 L HA 0.525 4.912 4.340 0.079 0.000 0.275 47 L C -1.603 175.249 176.870 -0.030 0.000 1.056 47 L CA -2.387 52.434 54.840 -0.031 0.000 0.804 47 L CB 1.345 43.380 42.059 -0.040 0.000 1.203 47 L HN -0.074 nan 8.230 nan 0.000 0.440 48 P HA 0.108 nan 4.420 nan 0.000 0.279 48 P C -0.873 176.406 177.300 -0.035 0.000 1.318 48 P CA 0.014 63.096 63.100 -0.031 0.000 0.819 48 P CB 1.165 32.847 31.700 -0.030 0.000 0.927 49 V N 5.021 124.916 119.914 -0.031 0.000 2.656 49 V HA 0.537 4.704 4.120 0.079 0.000 0.307 49 V C -0.638 175.440 176.094 -0.027 0.000 1.051 49 V CA -1.015 61.266 62.300 -0.033 0.000 0.893 49 V CB 2.208 34.011 31.823 -0.034 0.000 0.999 49 V HN 0.348 nan 8.190 nan 0.000 0.426 50 R N 3.997 124.480 120.500 -0.028 0.000 2.460 50 R HA 0.411 4.798 4.340 0.079 0.000 0.303 50 R C -0.694 175.591 176.300 -0.026 0.000 0.968 50 R CA -0.778 55.307 56.100 -0.024 0.000 0.889 50 R CB 1.407 31.694 30.300 -0.023 0.000 1.123 50 R HN 0.848 nan 8.270 nan 0.000 0.455 51 D N 1.632 122.019 120.400 -0.022 0.000 2.443 51 D HA -0.046 4.642 4.640 0.079 0.000 0.239 51 D C 1.292 177.575 176.300 -0.028 0.000 1.136 51 D CA 0.133 54.120 54.000 -0.021 0.000 0.879 51 D CB 1.450 42.240 40.800 -0.016 0.000 1.195 51 D HN 0.165 nan 8.370 nan 0.000 0.443 52 V N 3.385 123.280 119.914 -0.032 0.000 2.313 52 V HA -0.319 3.848 4.120 0.079 0.000 0.253 52 V C 2.428 178.491 176.094 -0.052 0.000 1.070 52 V CA 2.264 64.537 62.300 -0.044 0.000 1.057 52 V CB -0.555 31.246 31.823 -0.037 0.000 0.653 52 V HN 0.564 nan 8.190 nan 0.000 0.450 53 S N -0.707 114.973 115.700 -0.033 0.000 2.419 53 S HA -0.220 4.297 4.470 0.079 0.000 0.235 53 S C 1.688 176.269 174.600 -0.031 0.000 1.019 53 S CA 1.400 59.583 58.200 -0.028 0.000 0.982 53 S CB -0.414 62.782 63.200 -0.006 0.000 0.789 53 S HN 0.657 nan 8.310 nan 0.000 0.490 54 D N 0.893 121.277 120.400 -0.027 0.000 2.178 54 D HA -0.036 4.651 4.640 0.079 0.000 0.202 54 D C 1.825 178.113 176.300 -0.019 0.000 0.974 54 D CA 0.632 54.621 54.000 -0.018 0.000 0.841 54 D CB -0.077 40.714 40.800 -0.015 0.000 0.953 54 D HN 0.254 nan 8.370 nan 0.000 0.478 55 L N 0.851 122.050 121.223 -0.040 0.000 2.049 55 L HA -0.103 4.284 4.340 0.079 0.000 0.203 55 L C 2.600 179.423 176.870 -0.078 0.000 1.074 55 L CA 1.869 56.680 54.840 -0.048 0.000 0.749 55 L CB -0.891 41.124 42.059 -0.073 0.000 0.907 55 L HN 0.025 nan 8.230 nan 0.000 0.439 56 T N -4.017 110.432 114.554 -0.174 0.000 3.014 56 T HA 0.177 4.574 4.350 0.079 0.000 0.263 56 T C 1.633 176.223 174.700 -0.184 0.000 1.078 56 T CA 0.670 62.521 62.100 -0.415 0.000 1.135 56 T CB -0.350 68.049 68.868 -0.783 0.000 0.895 56 T HN 0.623 nan 8.240 nan 0.000 0.480 57 G N 0.701 109.470 108.800 -0.053 0.000 2.184 57 G HA2 -0.242 3.765 3.960 0.079 0.000 0.264 57 G HA3 -0.242 3.765 3.960 0.079 0.000 0.264 57 G C -0.096 174.831 174.900 0.044 0.000 0.975 57 G CA 0.129 45.242 45.100 0.022 0.000 0.642 57 G HN 0.590 nan 8.290 nan 0.000 0.536 58 F N 3.362 123.234 119.950 -0.130 0.000 2.412 58 F HA 0.521 5.096 4.527 0.079 0.000 0.348 58 F C -1.052 174.731 175.800 -0.029 0.000 1.102 58 F CA -2.090 55.881 58.000 -0.050 0.000 1.196 58 F CB 1.056 40.037 39.000 -0.033 0.000 1.144 58 F HN -0.045 nan 8.300 nan 0.000 0.541 59 P HA 0.002 nan 4.420 nan 0.000 0.271 59 P C -1.030 176.287 177.300 0.028 0.000 1.216 59 P CA -0.247 62.790 63.100 -0.104 0.000 0.776 59 P CB 0.629 32.212 31.700 -0.195 0.000 0.881 60 E N 3.140 123.358 120.200 0.030 0.000 2.217 60 E HA 0.251 4.648 4.350 0.079 0.000 0.279 60 E C 0.025 176.657 176.600 0.054 0.000 1.068 60 E CA -0.247 56.187 56.400 0.056 0.000 0.882 60 E CB 0.074 29.794 29.700 0.034 0.000 1.039 60 E HN 0.408 nan 8.360 nan 0.000 0.418 61 M N 2.244 121.894 119.600 0.084 0.000 2.691 61 M HA 0.393 4.921 4.480 0.079 0.000 0.293 61 M C -0.442 175.900 176.300 0.070 0.000 1.259 61 M CA -0.925 54.420 55.300 0.075 0.000 0.827 61 M CB 1.272 33.932 32.600 0.100 0.000 1.753 61 M HN 0.425 nan 8.290 nan 0.000 0.465 62 L N 1.351 122.608 121.223 0.058 0.000 4.179 62 L HA -0.179 4.208 4.340 0.079 0.000 0.418 62 L C 0.909 177.806 176.870 0.045 0.000 1.168 62 L CA 1.632 56.503 54.840 0.051 0.000 0.972 62 L CB -2.216 39.877 42.059 0.057 0.000 2.005 62 L HN 1.318 nan 8.230 nan 0.000 0.935 63 G N -1.736 107.088 108.800 0.040 0.000 2.198 63 G HA2 0.134 4.141 3.960 0.079 0.000 0.260 63 G HA3 0.134 4.141 3.960 0.079 0.000 0.260 63 G C 1.549 176.471 174.900 0.036 0.000 1.025 63 G CA 0.724 45.845 45.100 0.034 0.000 0.769 63 G HN 1.925 nan 8.290 nan 0.000 0.507 64 G N -0.986 107.841 108.800 0.045 0.000 2.179 64 G HA2 -0.346 3.661 3.960 0.079 0.000 0.260 64 G HA3 -0.346 3.661 3.960 0.079 0.000 0.260 64 G C 1.386 176.315 174.900 0.047 0.000 0.977 64 G CA 1.121 46.249 45.100 0.046 0.000 0.641 64 G HN 0.942 nan 8.290 nan 0.000 0.533 65 R N -0.555 119.974 120.500 0.048 0.000 2.204 65 R HA -0.070 4.317 4.340 0.079 0.000 0.253 65 R C 0.738 177.067 176.300 0.048 0.000 1.172 65 R CA 1.601 57.731 56.100 0.049 0.000 0.994 65 R CB -0.314 30.016 30.300 0.051 0.000 0.874 65 R HN 0.498 nan 8.270 nan 0.000 0.462 66 V N 0.837 120.783 119.914 0.053 0.000 2.482 66 V HA 0.217 4.384 4.120 0.079 0.000 0.295 66 V C 0.488 176.621 176.094 0.065 0.000 1.026 66 V CA -0.457 61.873 62.300 0.050 0.000 0.856 66 V CB 2.020 33.869 31.823 0.044 0.000 1.001 66 V HN 0.138 nan 8.190 nan 0.000 0.424 67 K N 2.121 122.554 120.400 0.055 0.000 2.826 67 K HA 0.010 4.377 4.320 0.079 0.000 0.187 67 K C 1.498 178.121 176.600 0.038 0.000 1.662 67 K CA 0.924 57.242 56.287 0.052 0.000 1.307 67 K CB 0.866 33.390 32.500 0.040 0.000 1.792 67 K HN 0.709 nan 8.250 nan 0.000 0.618 68 T N -0.448 114.137 114.554 0.051 0.000 3.060 68 T HA 0.292 4.689 4.350 0.079 0.000 0.249 68 T C 0.736 175.534 174.700 0.163 0.000 1.079 68 T CA -0.181 61.961 62.100 0.069 0.000 1.013 68 T CB 0.038 68.938 68.868 0.052 0.000 0.975 68 T HN 0.023 nan 8.240 nan 0.000 0.518 69 L N 3.041 124.330 121.223 0.110 0.000 2.399 69 L HA 0.400 4.787 4.340 0.079 0.000 0.257 69 L C -0.084 176.802 176.870 0.028 0.000 1.236 69 L CA -0.312 54.558 54.840 0.051 0.000 1.144 69 L CB -0.368 41.676 42.059 -0.025 0.000 1.379 69 L HN 0.408 nan 8.230 nan 0.000 0.414 70 H N 1.851 120.906 119.070 -0.025 0.000 3.087 70 H HA 0.193 4.796 4.556 0.078 0.000 0.348 70 H C -2.420 172.851 175.328 -0.095 0.000 1.092 70 H CA -1.295 54.683 56.048 -0.117 0.000 1.285 70 H CB 2.937 32.610 29.762 -0.148 0.000 1.875 70 H HN -0.025 nan 8.280 nan 0.000 0.512 71 P HA -0.182 nan 4.420 nan 0.000 0.217 71 P C 1.153 178.221 177.300 -0.387 0.000 1.148 71 P CA 2.366 65.350 63.100 -0.193 0.000 0.834 71 P CB 0.113 31.737 31.700 -0.127 0.000 0.783 72 A N -0.855 121.721 122.820 -0.407 0.000 1.877 72 A HA -0.172 4.195 4.320 0.079 0.000 0.216 72 A C 2.345 179.650 177.584 -0.465 0.000 1.186 72 A CA 1.986 53.432 52.037 -0.985 0.000 0.620 72 A CB -1.620 17.092 19.000 -0.481 0.000 0.822 72 A HN 0.035 nan 8.150 nan 0.000 0.443 73 V N -0.442 119.364 119.914 -0.180 0.000 2.237 73 V HA -0.259 3.908 4.120 0.079 0.000 0.245 73 V C 2.449 178.433 176.094 -0.185 0.000 1.046 73 V CA 2.175 64.382 62.300 -0.155 0.000 1.007 73 V CB -1.003 30.770 31.823 -0.084 0.000 0.638 73 V HN 0.662 nan 8.190 nan 0.000 0.445 74 H N -0.650 118.359 119.070 -0.102 0.000 2.482 74 H HA 0.139 4.742 4.556 0.078 0.000 0.286 74 H C 2.298 177.598 175.328 -0.047 0.000 1.017 74 H CA 1.232 57.242 56.048 -0.062 0.000 1.322 74 H CB 0.094 29.826 29.762 -0.050 0.000 1.426 74 H HN 0.451 nan 8.280 nan 0.000 0.546 75 A N 0.710 123.548 122.820 0.029 0.000 1.969 75 A HA -0.064 4.303 4.320 0.079 0.000 0.218 75 A C 2.713 180.322 177.584 0.042 0.000 1.169 75 A CA 1.324 53.398 52.037 0.061 0.000 0.635 75 A CB -0.898 18.196 19.000 0.157 0.000 0.810 75 A HN 0.432 nan 8.150 nan 0.000 0.445 76 G N -0.084 108.693 108.800 -0.038 0.000 2.432 76 G HA2 -0.134 3.873 3.960 0.079 0.000 0.219 76 G HA3 -0.134 3.873 3.960 0.079 0.000 0.219 76 G C 1.456 176.343 174.900 -0.023 0.000 1.135 76 G CA 1.176 46.261 45.100 -0.024 0.000 0.767 76 G HN 0.486 nan 8.290 nan 0.000 0.550 77 I N -0.200 120.341 120.570 -0.048 0.000 2.400 77 I HA 0.090 4.308 4.170 0.079 0.000 0.248 77 I C 2.361 178.481 176.117 0.005 0.000 1.109 77 I CA 0.533 61.807 61.300 -0.042 0.000 1.425 77 I CB 0.039 37.978 38.000 -0.102 0.000 1.094 77 I HN 0.062 nan 8.210 nan 0.000 0.425 78 L N 0.471 121.713 121.223 0.031 0.000 2.446 78 L HA 0.220 4.607 4.340 0.079 0.000 0.219 78 L C 1.303 178.200 176.870 0.045 0.000 1.116 78 L CA -0.392 54.478 54.840 0.051 0.000 0.844 78 L CB -0.244 41.860 42.059 0.075 0.000 0.970 78 L HN 0.106 nan 8.230 nan 0.000 0.457 79 A N 1.165 124.014 122.820 0.047 0.000 2.462 79 A HA 0.317 4.685 4.320 0.079 0.000 0.243 79 A C 0.089 177.690 177.584 0.029 0.000 1.076 79 A CA 0.043 52.108 52.037 0.047 0.000 0.773 79 A CB 0.111 19.149 19.000 0.063 0.000 1.010 79 A HN 0.294 nan 8.150 nan 0.000 0.493 80 R N 1.334 121.848 120.500 0.024 0.000 2.604 80 R HA 0.265 4.653 4.340 0.079 0.000 0.287 80 R C -0.325 175.982 176.300 0.012 0.000 0.970 80 R CA -0.797 55.310 56.100 0.012 0.000 0.946 80 R CB 0.754 31.058 30.300 0.006 0.000 1.127 80 R HN 0.736 nan 8.270 nan 0.000 0.473 81 N N 2.864 121.569 118.700 0.007 0.000 3.243 81 N HA 0.078 4.865 4.740 0.079 0.000 0.310 81 N C -0.721 174.792 175.510 0.006 0.000 1.313 81 N CA -0.188 52.867 53.050 0.008 0.000 1.204 81 N CB -0.306 38.184 38.487 0.006 0.000 1.483 81 N HN 0.486 nan 8.380 nan 0.000 0.553 82 I N -3.202 117.372 120.570 0.007 0.000 2.693 82 I HA 0.563 4.780 4.170 0.079 0.000 0.303 82 I C -1.671 174.450 176.117 0.006 0.000 1.025 82 I CA -2.484 58.819 61.300 0.005 0.000 1.086 82 I CB 2.061 40.063 38.000 0.004 0.000 1.268 82 I HN -0.185 nan 8.210 nan 0.000 0.440 83 P HA -0.206 nan 4.420 nan 0.000 0.216 83 P C 1.177 178.479 177.300 0.004 0.000 1.150 83 P CA 1.326 64.428 63.100 0.003 0.000 0.843 83 P CB 0.181 31.882 31.700 0.002 0.000 0.787 84 E N 0.478 120.681 120.200 0.004 0.000 2.017 84 E HA -0.183 4.214 4.350 0.079 0.000 0.193 84 E C 1.640 178.245 176.600 0.008 0.000 0.997 84 E CA 1.462 57.865 56.400 0.005 0.000 0.804 84 E CB -0.767 28.936 29.700 0.005 0.000 0.757 84 E HN 0.163 nan 8.360 nan 0.000 0.448 85 D N 0.280 120.688 120.400 0.013 0.000 2.178 85 D HA -0.092 4.595 4.640 0.079 0.000 0.201 85 D C 1.614 177.926 176.300 0.022 0.000 0.980 85 D CA 0.582 54.594 54.000 0.021 0.000 0.842 85 D CB -0.232 40.583 40.800 0.025 0.000 0.948 85 D HN 0.177 nan 8.370 nan 0.000 0.472 86 N N 0.139 118.847 118.700 0.015 0.000 2.216 86 N HA -0.073 4.714 4.740 0.079 0.000 0.183 86 N C 1.723 177.234 175.510 0.003 0.000 1.017 86 N CA 0.926 53.983 53.050 0.013 0.000 0.861 86 N CB 0.026 38.519 38.487 0.010 0.000 0.986 86 N HN 0.121 nan 8.380 nan 0.000 0.428 87 A N 1.878 124.697 122.820 -0.002 0.000 1.877 87 A HA -0.168 4.199 4.320 0.079 0.000 0.216 87 A C 1.795 179.366 177.584 -0.022 0.000 1.186 87 A CA 1.545 53.575 52.037 -0.011 0.000 0.620 87 A CB -0.448 18.546 19.000 -0.009 0.000 0.822 87 A HN 0.119 nan 8.150 nan 0.000 0.443 88 D N -0.313 120.079 120.400 -0.013 0.000 2.116 88 D HA -0.181 4.507 4.640 0.079 0.000 0.193 88 D C 1.955 178.227 176.300 -0.047 0.000 0.998 88 D CA 1.475 55.463 54.000 -0.021 0.000 0.836 88 D CB -0.329 40.477 40.800 0.011 0.000 0.951 88 D HN 0.300 nan 8.370 nan 0.000 0.449 89 M N 0.271 119.865 119.600 -0.011 0.000 2.200 89 M HA -0.061 4.466 4.480 0.079 0.000 0.265 89 M C 1.765 178.025 176.300 -0.067 0.000 1.066 89 M CA 0.897 56.196 55.300 -0.001 0.000 1.127 89 M CB -1.057 31.585 32.600 0.069 0.000 1.379 89 M HN 0.092 nan 8.290 nan 0.000 0.420 90 N N 0.818 119.488 118.700 -0.049 0.000 2.080 90 N HA -0.180 4.607 4.740 0.079 0.000 0.189 90 N C 1.638 177.092 175.510 -0.094 0.000 1.036 90 N CA 1.348 54.365 53.050 -0.055 0.000 0.846 90 N CB -0.155 38.313 38.487 -0.031 0.000 1.015 90 N HN 0.429 nan 8.380 nan 0.000 0.423 91 K N 0.465 120.806 120.400 -0.098 0.000 2.280 91 K HA -0.116 4.251 4.320 0.079 0.000 0.202 91 K C 1.130 177.618 176.600 -0.188 0.000 1.047 91 K CA 1.174 57.395 56.287 -0.110 0.000 0.942 91 K CB 0.151 32.602 32.500 -0.080 0.000 0.739 91 K HN 0.170 nan 8.250 nan 0.000 0.457 92 Q N 1.011 120.620 119.800 -0.320 0.000 2.356 92 Q HA -0.012 4.375 4.340 0.079 0.000 0.205 92 Q C -0.355 175.194 176.000 -0.751 0.000 0.901 92 Q CA 0.413 55.826 55.803 -0.650 0.000 0.938 92 Q CB 0.051 28.160 28.738 -1.047 0.000 1.081 92 Q HN 0.374 nan 8.270 nan 0.000 0.517 93 D N -0.068 120.117 120.400 -0.358 0.000 2.689 93 D HA -0.190 4.497 4.640 0.079 0.000 0.237 93 D C -1.443 174.880 176.300 0.038 0.000 1.148 93 D CA 0.359 54.279 54.000 -0.133 0.000 0.656 93 D CB -1.013 39.749 40.800 -0.063 0.000 1.050 93 D HN -0.004 nan 8.370 nan 0.000 0.426 94 F N 0.331 120.299 119.950 0.029 0.000 2.420 94 F HA 0.467 5.042 4.527 0.079 0.000 0.342 94 F C 1.206 177.017 175.800 0.018 0.000 1.113 94 F CA -1.230 56.788 58.000 0.031 0.000 1.059 94 F CB 1.577 40.601 39.000 0.040 0.000 1.128 94 F HN -0.273 nan 8.300 nan 0.000 0.475 95 S N 2.878 118.703 115.700 0.208 0.000 2.601 95 S HA 0.440 4.957 4.470 0.079 0.000 0.271 95 S C -0.345 174.301 174.600 0.077 0.000 1.305 95 S CA -0.561 57.701 58.200 0.103 0.000 1.022 95 S CB 0.848 64.084 63.200 0.060 0.000 0.940 95 S HN 0.272 nan 8.310 nan 0.000 0.525 96 L N 2.704 123.957 121.223 0.050 0.000 2.380 96 L HA 0.280 4.667 4.340 0.079 0.000 0.273 96 L C -0.266 176.606 176.870 0.004 0.000 1.138 96 L CA 0.238 55.096 54.840 0.029 0.000 0.832 96 L CB 0.742 42.816 42.059 0.025 0.000 1.124 96 L HN 0.375 nan 8.230 nan 0.000 0.454 97 V N 5.723 125.630 119.914 -0.011 0.000 2.385 97 V HA 0.300 4.467 4.120 0.079 0.000 0.269 97 V C 1.248 177.330 176.094 -0.021 0.000 1.043 97 V CA -0.306 61.977 62.300 -0.030 0.000 0.906 97 V CB 1.026 32.816 31.823 -0.054 0.000 0.995 97 V HN 0.782 nan 8.190 nan 0.000 0.467 98 R N 3.866 124.353 120.500 -0.022 0.000 2.128 98 R HA 0.206 4.594 4.340 0.079 0.000 0.211 98 R C 0.017 176.312 176.300 -0.008 0.000 1.067 98 R CA 0.684 56.777 56.100 -0.012 0.000 1.010 98 R CB 0.593 30.884 30.300 -0.014 0.000 0.922 98 R HN 0.535 nan 8.270 nan 0.000 0.457 99 V N 1.491 121.392 119.914 -0.022 0.000 2.604 99 V HA 0.394 4.561 4.120 0.079 0.000 0.305 99 V C -0.723 175.361 176.094 -0.016 0.000 1.043 99 V CA -0.807 61.488 62.300 -0.009 0.000 0.888 99 V CB 2.052 33.854 31.823 -0.036 0.000 0.995 99 V HN -0.158 nan 8.190 nan 0.000 0.429 100 V N 4.741 124.659 119.914 0.007 0.000 2.487 100 V HA 0.503 4.670 4.120 0.079 0.000 0.298 100 V C -0.508 175.612 176.094 0.043 0.000 1.028 100 V CA -0.553 61.745 62.300 -0.003 0.000 0.860 100 V CB 2.100 33.903 31.823 -0.033 0.000 0.991 100 V HN 0.622 nan 8.190 nan 0.000 0.427 101 V N 4.072 124.016 119.914 0.050 0.000 2.350 101 V HA 0.558 4.725 4.120 0.079 0.000 0.285 101 V C -0.348 175.796 176.094 0.084 0.000 1.014 101 V CA -0.372 61.997 62.300 0.115 0.000 0.831 101 V CB 1.343 33.255 31.823 0.149 0.000 1.000 101 V HN 0.980 nan 8.190 nan 0.000 0.433 102 C N 6.092 125.441 119.300 0.081 0.000 2.752 102 C HA 0.756 5.263 4.460 0.079 0.000 0.360 102 C C -0.822 174.205 174.990 0.062 0.000 1.081 102 C CA -0.571 58.480 59.018 0.056 0.000 1.272 102 C CB 1.110 28.862 27.740 0.021 0.000 1.754 102 C HN 1.122 nan 8.230 nan 0.000 0.483 103 N N 4.266 123.013 118.700 0.078 0.000 2.405 103 N HA 0.828 5.615 4.740 0.079 0.000 0.285 103 N C -1.698 173.895 175.510 0.138 0.000 1.262 103 N CA -0.854 52.275 53.050 0.131 0.000 0.773 103 N CB 0.968 39.482 38.487 0.045 0.000 1.490 103 N HN 0.564 nan 8.380 nan 0.000 0.486 104 L N 0.262 121.606 121.223 0.202 0.000 2.346 104 L HA 0.444 4.832 4.340 0.079 0.000 0.274 104 L C -0.823 176.114 176.870 0.110 0.000 1.007 104 L CA -1.259 53.571 54.840 -0.017 0.000 0.818 104 L CB 1.184 42.956 42.059 -0.478 0.000 1.284 104 L HN 0.600 nan 8.230 nan 0.000 0.424 105 Y N 4.128 124.445 120.300 0.028 0.000 2.632 105 Y HA 0.129 4.728 4.550 0.081 0.000 0.329 105 Y C -1.958 174.044 175.900 0.171 0.000 1.174 105 Y CA -1.812 56.340 58.100 0.086 0.000 1.469 105 Y CB 0.360 38.867 38.460 0.078 0.000 1.242 105 Y HN 0.336 nan 8.280 nan 0.000 0.540 106 P HA -0.121 nan 4.420 nan 0.000 0.261 106 P C 0.301 177.558 177.300 -0.073 0.000 1.183 106 P CA 0.551 63.581 63.100 -0.115 0.000 0.761 106 P CB 0.209 31.763 31.700 -0.244 0.000 0.785 107 F N 4.659 124.597 119.950 -0.020 0.000 2.171 107 F HA -0.179 4.394 4.527 0.077 0.000 0.300 107 F C 2.158 177.833 175.800 -0.209 0.000 1.090 107 F CA 1.346 59.252 58.000 -0.156 0.000 1.293 107 F CB -0.464 38.277 39.000 -0.432 0.000 1.013 107 F HN 0.129 nan 8.300 nan 0.000 0.486 108 V N 0.652 120.484 119.914 -0.137 0.000 2.453 108 V HA -0.287 3.880 4.120 0.079 0.000 0.252 108 V C 2.345 178.276 176.094 -0.272 0.000 1.068 108 V CA 2.000 64.183 62.300 -0.195 0.000 1.070 108 V CB -0.386 31.381 31.823 -0.094 0.000 0.664 108 V HN 0.232 nan 8.190 nan 0.000 0.461 109 K N -0.402 119.808 120.400 -0.317 0.000 2.076 109 K HA -0.038 4.329 4.320 0.079 0.000 0.204 109 K C 2.163 178.627 176.600 -0.226 0.000 1.051 109 K CA 1.665 57.768 56.287 -0.307 0.000 0.949 109 K CB -0.986 31.191 32.500 -0.539 0.000 0.726 109 K HN 0.541 nan 8.250 nan 0.000 0.443 110 T N 2.025 116.409 114.554 -0.284 0.000 2.635 110 T HA -0.135 4.262 4.350 0.079 0.000 0.267 110 T C 1.915 176.367 174.700 -0.414 0.000 1.040 110 T CA 2.129 64.076 62.100 -0.254 0.000 1.156 110 T CB -0.384 68.222 68.868 -0.436 0.000 0.863 110 T HN 0.208 nan 8.240 nan 0.000 0.430 111 V N -0.545 118.961 119.914 -0.680 0.000 3.305 111 V HA 0.119 4.286 4.120 0.079 0.000 0.269 111 V C 1.887 177.811 176.094 -0.283 0.000 1.157 111 V CA 1.341 63.279 62.300 -0.604 0.000 1.157 111 V CB -0.491 30.787 31.823 -0.909 0.000 0.772 111 V HN 0.273 nan 8.190 nan 0.000 0.498 112 S N -0.095 115.476 115.700 -0.215 0.000 2.535 112 S HA 0.232 4.750 4.470 0.079 0.000 0.214 112 S C 1.047 175.606 174.600 -0.069 0.000 0.980 112 S CA 0.122 58.253 58.200 -0.115 0.000 0.907 112 S CB -0.074 63.064 63.200 -0.103 0.000 0.790 112 S HN 0.622 nan 8.310 nan 0.000 0.510 113 S N 3.640 119.300 115.700 -0.065 0.000 2.525 113 S HA 0.092 4.609 4.470 0.079 0.000 0.285 113 S C -1.260 173.326 174.600 -0.022 0.000 1.283 113 S CA -0.841 57.343 58.200 -0.027 0.000 1.072 113 S CB 0.589 63.781 63.200 -0.015 0.000 0.867 113 S HN 0.197 nan 8.310 nan 0.000 0.492 114 P HA -0.205 nan 4.420 nan 0.000 0.227 114 P C 0.832 178.130 177.300 -0.004 0.000 1.141 114 P CA 1.799 64.895 63.100 -0.006 0.000 0.964 114 P CB 0.009 31.708 31.700 -0.002 0.000 0.784 115 G N -1.852 106.946 108.800 -0.003 0.000 4.716 115 G HA2 0.299 4.306 3.960 0.079 0.000 0.282 115 G HA3 0.299 4.306 3.960 0.079 0.000 0.282 115 G C -0.745 174.158 174.900 0.004 0.000 1.173 115 G CA -0.141 44.961 45.100 0.002 0.000 0.913 115 G HN 0.320 nan 8.290 nan 0.000 0.566 116 V N 2.486 122.399 119.914 -0.002 0.000 2.572 116 V HA 0.495 4.662 4.120 0.079 0.000 0.291 116 V C 1.064 177.175 176.094 0.027 0.000 1.039 116 V CA 0.475 62.775 62.300 0.000 0.000 1.055 116 V CB 1.002 32.804 31.823 -0.036 0.000 0.969 116 V HN 0.540 nan 8.190 nan 0.000 0.482 117 T N 3.734 118.312 114.554 0.040 0.000 2.824 117 T HA 0.356 4.753 4.350 0.079 0.000 0.277 117 T C 1.136 175.899 174.700 0.106 0.000 0.975 117 T CA -0.014 62.122 62.100 0.060 0.000 0.966 117 T CB 1.447 70.343 68.868 0.047 0.000 1.054 117 T HN 0.386 nan 8.240 nan 0.000 0.533 118 V N 1.292 121.270 119.914 0.107 0.000 2.270 118 V HA -0.008 4.159 4.120 0.079 0.000 0.245 118 V C -0.498 175.690 176.094 0.156 0.000 1.043 118 V CA 1.174 63.558 62.300 0.139 0.000 1.014 118 V CB -2.053 29.768 31.823 -0.003 0.000 0.645 118 V HN 0.695 nan 8.190 nan 0.000 0.447 119 P HA -0.184 nan 4.420 nan 0.000 0.215 119 P C 1.633 179.007 177.300 0.124 0.000 1.157 119 P CA 1.601 64.769 63.100 0.114 0.000 0.874 119 P CB -0.045 31.701 31.700 0.077 0.000 0.790 120 E N -0.599 119.660 120.200 0.098 0.000 2.097 120 E HA -0.202 4.195 4.350 0.079 0.000 0.196 120 E C 2.084 178.744 176.600 0.100 0.000 1.000 120 E CA 1.433 57.883 56.400 0.082 0.000 0.804 120 E CB -0.583 29.148 29.700 0.052 0.000 0.740 120 E HN 0.183 nan 8.360 nan 0.000 0.454 121 A N 0.656 123.548 122.820 0.120 0.000 1.929 121 A HA -0.102 4.265 4.320 0.079 0.000 0.216 121 A C 2.470 180.231 177.584 0.295 0.000 1.176 121 A CA 0.935 53.030 52.037 0.096 0.000 0.628 121 A CB -0.434 18.553 19.000 -0.022 0.000 0.816 121 A HN 0.114 nan 8.150 nan 0.000 0.444 122 V N 0.384 120.515 119.914 0.361 0.000 2.358 122 V HA -0.214 3.953 4.120 0.079 0.000 0.246 122 V C 2.553 178.821 176.094 0.290 0.000 1.047 122 V CA 2.281 64.828 62.300 0.412 0.000 1.035 122 V CB -0.686 31.363 31.823 0.375 0.000 0.658 122 V HN 0.750 nan 8.190 nan 0.000 0.452 123 E N 0.740 121.066 120.200 0.210 0.000 2.333 123 E HA -0.224 4.173 4.350 0.079 0.000 0.198 123 E C 1.863 178.562 176.600 0.165 0.000 1.007 123 E CA 1.234 57.730 56.400 0.159 0.000 0.845 123 E CB -0.216 29.553 29.700 0.116 0.000 0.766 123 E HN 0.391 nan 8.360 nan 0.000 0.507 124 K N -0.185 120.337 120.400 0.203 0.000 2.426 124 K HA 0.246 4.613 4.320 0.079 0.000 0.193 124 K C -0.072 176.714 176.600 0.310 0.000 1.028 124 K CA -0.060 56.355 56.287 0.214 0.000 1.047 124 K CB -0.045 32.562 32.500 0.178 0.000 0.821 124 K HN 0.182 nan 8.250 nan 0.000 0.513 125 I N 1.918 122.680 120.570 0.320 0.000 2.741 125 I HA -0.117 4.100 4.170 0.079 0.000 0.288 125 I C 0.505 176.771 176.117 0.250 0.000 1.192 125 I CA 0.292 61.755 61.300 0.272 0.000 1.426 125 I CB 0.264 38.327 38.000 0.105 0.000 1.367 125 I HN 0.162 nan 8.210 nan 0.000 0.563 126 D N 6.981 127.589 120.400 0.346 0.000 2.348 126 D HA 0.095 4.782 4.640 0.079 0.000 0.253 126 D C 0.492 176.860 176.300 0.113 0.000 1.161 126 D CA -0.178 53.923 54.000 0.168 0.000 0.876 126 D CB 1.214 42.006 40.800 -0.014 0.000 1.160 126 D HN 0.324 nan 8.370 nan 0.000 0.459 127 I N 3.215 123.828 120.570 0.071 0.000 3.341 127 I HA 0.031 4.248 4.170 0.079 0.000 0.243 127 I C 2.429 178.568 176.117 0.037 0.000 1.094 127 I CA 0.450 61.781 61.300 0.051 0.000 1.507 127 I CB -1.469 36.561 38.000 0.050 0.000 1.441 127 I HN 0.544 nan 8.210 nan 0.000 0.465 128 G N 1.140 109.965 108.800 0.041 0.000 2.491 128 G HA2 -0.239 3.768 3.960 0.079 0.000 0.218 128 G HA3 -0.239 3.768 3.960 0.079 0.000 0.218 128 G C 1.653 176.579 174.900 0.044 0.000 1.180 128 G CA 1.134 46.266 45.100 0.053 0.000 0.774 128 G HN 0.492 nan 8.290 nan 0.000 0.562 129 G N 0.069 108.872 108.800 0.006 0.000 2.432 129 G HA2 -0.093 3.915 3.960 0.079 0.000 0.219 129 G HA3 -0.093 3.915 3.960 0.079 0.000 0.219 129 G C 1.781 176.654 174.900 -0.044 0.000 1.135 129 G CA 1.128 46.214 45.100 -0.023 0.000 0.767 129 G HN 0.347 nan 8.290 nan 0.000 0.550 130 V N 1.544 121.422 119.914 -0.060 0.000 2.287 130 V HA -0.184 3.983 4.120 0.079 0.000 0.248 130 V C 3.326 179.424 176.094 0.006 0.000 1.053 130 V CA 2.155 64.424 62.300 -0.052 0.000 1.027 130 V CB -0.881 30.929 31.823 -0.022 0.000 0.646 130 V HN 0.473 nan 8.190 nan 0.000 0.447 131 A N -0.569 122.282 122.820 0.052 0.000 1.902 131 A HA -0.140 4.227 4.320 0.079 0.000 0.217 131 A C 2.111 179.811 177.584 0.194 0.000 1.181 131 A CA 1.590 53.704 52.037 0.129 0.000 0.623 131 A CB -0.522 18.554 19.000 0.128 0.000 0.818 131 A HN 0.394 nan 8.150 nan 0.000 0.443 132 L N -0.602 120.680 121.223 0.098 0.000 1.989 132 L HA -0.160 4.228 4.340 0.079 0.000 0.211 132 L C 2.405 179.245 176.870 -0.050 0.000 1.071 132 L CA 1.359 56.177 54.840 -0.037 0.000 0.749 132 L CB -1.136 40.887 42.059 -0.060 0.000 0.890 132 L HN 0.244 nan 8.230 nan 0.000 0.431 133 L N -0.584 120.609 121.223 -0.051 0.000 2.013 133 L HA -0.236 4.151 4.340 0.079 0.000 0.212 133 L C 2.749 179.500 176.870 -0.198 0.000 1.073 133 L CA 1.744 56.520 54.840 -0.106 0.000 0.753 133 L CB -1.111 40.894 42.059 -0.090 0.000 0.890 133 L HN 0.330 nan 8.230 nan 0.000 0.432 134 R N -1.185 119.237 120.500 -0.131 0.000 2.073 134 R HA -0.065 4.323 4.340 0.079 0.000 0.229 134 R C 2.215 178.498 176.300 -0.029 0.000 1.120 134 R CA 1.201 57.217 56.100 -0.140 0.000 0.967 134 R CB -0.446 29.908 30.300 0.090 0.000 0.862 134 R HN 0.369 nan 8.270 nan 0.000 0.436 135 A N 1.512 124.363 122.820 0.052 0.000 1.883 135 A HA -0.149 4.218 4.320 0.079 0.000 0.217 135 A C 2.399 180.003 177.584 0.034 0.000 1.186 135 A CA 1.854 53.947 52.037 0.093 0.000 0.624 135 A CB -0.706 18.391 19.000 0.162 0.000 0.822 135 A HN 0.399 nan 8.150 nan 0.000 0.444 136 A N -0.344 122.457 122.820 -0.031 0.000 1.902 136 A HA 0.186 4.553 4.320 0.079 0.000 0.217 136 A C 2.494 180.071 177.584 -0.012 0.000 1.181 136 A CA 2.094 54.114 52.037 -0.029 0.000 0.623 136 A CB -0.976 17.993 19.000 -0.051 0.000 0.818 136 A HN 1.078 nan 8.150 nan 0.000 0.443 137 A N -0.128 122.612 122.820 -0.134 0.000 1.930 137 A HA -0.119 4.248 4.320 0.079 0.000 0.217 137 A C 2.102 179.818 177.584 0.220 0.000 1.175 137 A CA 1.892 53.828 52.037 -0.168 0.000 0.627 137 A CB -0.426 18.093 19.000 -0.801 0.000 0.815 137 A HN 0.592 nan 8.150 nan 0.000 0.443 138 K N -0.254 120.319 120.400 0.289 0.000 2.057 138 K HA -0.180 4.187 4.320 0.079 0.000 0.207 138 K C 0.920 177.679 176.600 0.264 0.000 1.049 138 K CA 1.705 58.249 56.287 0.428 0.000 0.931 138 K CB -0.191 32.505 32.500 0.328 0.000 0.714 138 K HN 0.365 nan 8.250 nan 0.000 0.440 139 N N 1.038 119.828 118.700 0.149 0.000 2.597 139 N HA -0.033 4.754 4.740 0.079 0.000 0.269 139 N C 0.642 176.163 175.510 0.018 0.000 1.204 139 N CA -0.163 52.913 53.050 0.042 0.000 0.947 139 N CB -0.016 38.493 38.487 0.037 0.000 1.258 139 N HN 0.369 nan 8.380 nan 0.000 0.508 140 H N -1.820 117.284 119.070 0.056 0.000 2.546 140 H HA 0.105 4.708 4.556 0.080 0.000 0.277 140 H C 1.368 176.718 175.328 0.037 0.000 1.004 140 H CA 0.851 56.925 56.048 0.043 0.000 1.231 140 H CB -0.041 29.754 29.762 0.055 0.000 1.382 140 H HN 0.239 nan 8.280 nan 0.000 0.580 141 A N 1.583 124.171 122.820 -0.387 0.000 2.024 141 A HA -0.171 4.196 4.320 0.079 0.000 0.220 141 A C 2.542 180.089 177.584 -0.062 0.000 1.164 141 A CA 1.770 53.683 52.037 -0.205 0.000 0.643 141 A CB -0.494 18.386 19.000 -0.201 0.000 0.806 141 A HN 0.492 nan 8.150 nan 0.000 0.451 142 R N -1.960 118.518 120.500 -0.037 0.000 2.350 142 R HA 0.238 4.625 4.340 0.079 0.000 0.199 142 R C -0.524 175.788 176.300 0.019 0.000 0.876 142 R CA 0.337 56.435 56.100 -0.002 0.000 1.062 142 R CB 0.591 30.888 30.300 -0.005 0.000 1.263 142 R HN 0.210 nan 8.270 nan 0.000 0.641 143 V N 2.103 122.034 119.914 0.029 0.000 2.509 143 V HA 0.261 4.429 4.120 0.079 0.000 0.284 143 V C -0.171 175.960 176.094 0.060 0.000 1.047 143 V CA -0.309 62.012 62.300 0.035 0.000 0.952 143 V CB 1.618 33.455 31.823 0.024 0.000 0.988 143 V HN 0.175 nan 8.190 nan 0.000 0.469 144 T N 4.478 119.064 114.554 0.054 0.000 2.771 144 T HA 0.412 4.809 4.350 0.079 0.000 0.291 144 T C -0.408 174.330 174.700 0.064 0.000 0.954 144 T CA -0.059 62.084 62.100 0.072 0.000 1.045 144 T CB 1.324 70.243 68.868 0.084 0.000 0.917 144 T HN 0.458 nan 8.240 nan 0.000 0.484 145 V N 5.360 125.308 119.914 0.056 0.000 2.448 145 V HA 0.650 4.817 4.120 0.079 0.000 0.295 145 V C -0.989 175.132 176.094 0.045 0.000 1.025 145 V CA -0.514 61.805 62.300 0.032 0.000 0.859 145 V CB 1.580 33.388 31.823 -0.024 0.000 0.988 145 V HN 0.698 nan 8.190 nan 0.000 0.431 146 V N 6.788 126.749 119.914 0.078 0.000 2.380 146 V HA 0.245 4.412 4.120 0.079 0.000 0.286 146 V C 0.642 176.761 176.094 0.042 0.000 1.015 146 V CA -0.282 62.069 62.300 0.085 0.000 0.834 146 V CB 1.017 32.973 31.823 0.222 0.000 1.009 146 V HN 1.082 nan 8.190 nan 0.000 0.428 147 C N -0.052 119.203 119.300 -0.076 0.000 3.038 147 C HA 0.402 4.909 4.460 0.079 0.000 0.279 147 C C 0.428 175.250 174.990 -0.281 0.000 1.276 147 C CA -0.084 58.834 59.018 -0.167 0.000 1.697 147 C CB -0.758 26.822 27.740 -0.266 0.000 2.032 147 C HN 0.757 nan 8.230 nan 0.000 0.636 148 D N 0.996 121.226 120.400 -0.283 0.000 2.505 148 D HA 0.388 5.075 4.640 0.079 0.000 0.250 148 D C -1.925 174.006 176.300 -0.615 0.000 1.164 148 D CA -1.885 51.894 54.000 -0.368 0.000 0.870 148 D CB 1.958 42.585 40.800 -0.288 0.000 1.160 148 D HN -0.146 nan 8.370 nan 0.000 0.549 149 P HA -0.168 nan 4.420 nan 0.000 0.218 149 P C 1.052 177.816 177.300 -0.893 0.000 1.146 149 P CA 1.407 63.670 63.100 -1.396 0.000 0.820 149 P CB 0.252 31.558 31.700 -0.656 0.000 0.778 150 A N -0.339 122.186 122.820 -0.493 0.000 2.024 150 A HA -0.204 4.163 4.320 0.079 0.000 0.220 150 A C 1.735 179.155 177.584 -0.274 0.000 1.164 150 A CA 1.879 53.735 52.037 -0.301 0.000 0.643 150 A CB -1.025 17.851 19.000 -0.208 0.000 0.806 150 A HN 0.134 nan 8.150 nan 0.000 0.451 151 D N -1.821 118.375 120.400 -0.340 0.000 2.349 151 D HA 0.022 4.709 4.640 0.079 0.000 0.215 151 D C 1.142 177.305 176.300 -0.229 0.000 1.016 151 D CA 0.239 54.103 54.000 -0.227 0.000 0.870 151 D CB -0.200 40.497 40.800 -0.171 0.000 0.917 151 D HN 0.470 nan 8.370 nan 0.000 0.524 152 Y N 2.176 122.188 120.300 -0.480 0.000 2.070 152 Y HA -0.232 4.366 4.550 0.080 0.000 0.280 152 Y C 2.768 178.425 175.900 -0.405 0.000 1.148 152 Y CA 0.923 58.496 58.100 -0.879 0.000 1.125 152 Y CB -1.286 36.690 38.460 -0.807 0.000 0.975 152 Y HN 0.010 nan 8.280 nan 0.000 0.492 153 S N -1.256 114.434 115.700 -0.018 0.000 2.399 153 S HA -0.196 4.321 4.470 0.079 0.000 0.231 153 S C 2.261 176.882 174.600 0.036 0.000 1.022 153 S CA 1.208 59.431 58.200 0.039 0.000 0.983 153 S CB -0.855 62.359 63.200 0.022 0.000 0.803 153 S HN 0.422 nan 8.310 nan 0.000 0.480 154 S N 1.029 116.728 115.700 -0.003 0.000 2.357 154 S HA -0.009 4.508 4.470 0.079 0.000 0.221 154 S C 1.884 176.510 174.600 0.043 0.000 1.031 154 S CA 1.068 59.272 58.200 0.006 0.000 0.982 154 S CB -0.665 62.520 63.200 -0.025 0.000 0.853 154 S HN 0.368 nan 8.310 nan 0.000 0.458 155 V N 2.399 122.346 119.914 0.055 0.000 2.343 155 V HA -0.096 4.071 4.120 0.079 0.000 0.247 155 V C 2.998 179.219 176.094 0.211 0.000 1.051 155 V CA 1.775 64.154 62.300 0.132 0.000 1.036 155 V CB -1.397 30.529 31.823 0.173 0.000 0.654 155 V HN 0.638 nan 8.190 nan 0.000 0.451 156 A N -0.504 122.500 122.820 0.306 0.000 1.877 156 A HA -0.268 4.100 4.320 0.079 0.000 0.216 156 A C 2.363 180.028 177.584 0.135 0.000 1.186 156 A CA 2.122 54.329 52.037 0.283 0.000 0.620 156 A CB -0.559 18.651 19.000 0.351 0.000 0.822 156 A HN 0.446 nan 8.150 nan 0.000 0.443 157 K N -0.322 120.141 120.400 0.105 0.000 2.103 157 K HA -0.230 4.138 4.320 0.079 0.000 0.207 157 K C 2.060 178.691 176.600 0.053 0.000 1.048 157 K CA 1.875 58.200 56.287 0.064 0.000 0.930 157 K CB -0.120 32.408 32.500 0.047 0.000 0.716 157 K HN 0.723 nan 8.250 nan 0.000 0.444 158 E N 0.097 120.334 120.200 0.061 0.000 2.076 158 E HA -0.121 4.276 4.350 0.079 0.000 0.190 158 E C 2.022 178.651 176.600 0.049 0.000 0.979 158 E CA 0.685 57.115 56.400 0.051 0.000 0.807 158 E CB 0.018 29.750 29.700 0.054 0.000 0.761 158 E HN 0.271 nan 8.360 nan 0.000 0.454 159 M N 0.392 120.028 119.600 0.060 0.000 2.213 159 M HA -0.104 4.423 4.480 0.079 0.000 0.263 159 M C 2.364 178.679 176.300 0.026 0.000 1.062 159 M CA 1.324 56.649 55.300 0.042 0.000 1.105 159 M CB -0.082 32.544 32.600 0.042 0.000 1.385 159 M HN 0.219 nan 8.290 nan 0.000 0.417 160 A N 0.247 123.085 122.820 0.029 0.000 1.897 160 A HA 0.091 4.459 4.320 0.079 0.000 0.215 160 A C 2.245 179.839 177.584 0.017 0.000 1.181 160 A CA 1.614 53.662 52.037 0.019 0.000 0.620 160 A CB -0.635 18.379 19.000 0.023 0.000 0.821 160 A HN 0.474 nan 8.150 nan 0.000 0.443 161 A N -0.744 122.088 122.820 0.021 0.000 2.208 161 A HA 0.324 4.691 4.320 0.079 0.000 0.209 161 A C 1.379 178.973 177.584 0.017 0.000 1.161 161 A CA 0.743 52.790 52.037 0.018 0.000 0.782 161 A CB -0.478 18.534 19.000 0.019 0.000 0.816 161 A HN 0.430 nan 8.150 nan 0.000 0.477 162 S N 0.330 116.041 115.700 0.018 0.000 2.548 162 S HA 0.203 4.720 4.470 0.079 0.000 0.277 162 S C 1.185 175.793 174.600 0.013 0.000 1.315 162 S CA -0.580 57.631 58.200 0.018 0.000 1.050 162 S CB 0.472 63.685 63.200 0.021 0.000 0.918 162 S HN 0.403 nan 8.310 nan 0.000 0.497 163 K N 2.767 123.175 120.400 0.012 0.000 2.283 163 K HA -0.045 4.322 4.320 0.079 0.000 0.202 163 K C 0.229 176.834 176.600 0.008 0.000 1.048 163 K CA 0.849 57.141 56.287 0.009 0.000 0.948 163 K CB -0.283 32.223 32.500 0.009 0.000 0.742 163 K HN 0.791 nan 8.250 nan 0.000 0.458 164 D N 0.211 120.616 120.400 0.009 0.000 2.623 164 D HA 0.065 4.753 4.640 0.079 0.000 0.252 164 D C -0.425 175.879 176.300 0.006 0.000 1.294 164 D CA -0.423 53.581 54.000 0.007 0.000 0.824 164 D CB 0.406 41.211 40.800 0.008 0.000 1.070 164 D HN -0.247 nan 8.370 nan 0.000 0.487 165 K N 0.171 120.574 120.400 0.005 0.000 3.035 165 K HA -0.200 4.167 4.320 0.079 0.000 0.262 165 K C -0.509 176.094 176.600 0.005 0.000 1.024 165 K CA 0.876 57.164 56.287 0.002 0.000 0.748 165 K CB -2.155 30.341 32.500 -0.007 0.000 1.247 165 K HN 0.511 nan 8.250 nan 0.000 0.482 166 D N -1.025 119.384 120.400 0.015 0.000 2.531 166 D HA 0.445 5.132 4.640 0.079 0.000 0.244 166 D C -0.241 176.081 176.300 0.036 0.000 1.090 166 D CA 0.094 54.108 54.000 0.022 0.000 0.989 166 D CB 1.225 42.037 40.800 0.020 0.000 1.433 166 D HN 0.075 nan 8.370 nan 0.000 0.492 167 T N -1.538 113.044 114.554 0.047 0.000 2.824 167 T HA 0.577 4.974 4.350 0.079 0.000 0.277 167 T C 0.490 175.223 174.700 0.055 0.000 0.975 167 T CA -0.702 61.434 62.100 0.060 0.000 0.966 167 T CB 0.696 69.611 68.868 0.077 0.000 1.054 167 T HN 0.325 nan 8.240 nan 0.000 0.533 168 S N 0.110 115.847 115.700 0.061 0.000 2.646 168 S HA 0.296 4.813 4.470 0.079 0.000 0.276 168 S C 1.736 176.380 174.600 0.073 0.000 1.222 168 S CA -0.401 57.834 58.200 0.060 0.000 1.014 168 S CB 1.061 64.296 63.200 0.058 0.000 0.991 168 S HN 1.288 nan 8.310 nan 0.000 0.533 169 V N -1.028 118.926 119.914 0.067 0.000 2.568 169 V HA -0.106 4.061 4.120 0.079 0.000 0.253 169 V C 2.051 178.206 176.094 0.101 0.000 1.072 169 V CA 1.809 64.155 62.300 0.077 0.000 1.084 169 V CB -1.016 30.840 31.823 0.055 0.000 0.676 169 V HN 0.834 nan 8.190 nan 0.000 0.469 170 E N 1.480 121.741 120.200 0.101 0.000 2.046 170 E HA -0.139 4.259 4.350 0.079 0.000 0.190 170 E C 2.568 179.300 176.600 0.220 0.000 0.982 170 E CA 2.211 58.691 56.400 0.133 0.000 0.800 170 E CB -0.605 29.178 29.700 0.139 0.000 0.756 170 E HN 0.924 nan 8.360 nan 0.000 0.449 171 T N -0.842 113.822 114.554 0.185 0.000 2.821 171 T HA -0.081 4.316 4.350 0.079 0.000 0.267 171 T C 1.892 176.694 174.700 0.169 0.000 1.046 171 T CA 0.740 62.959 62.100 0.197 0.000 1.139 171 T CB -0.137 68.797 68.868 0.110 0.000 0.871 171 T HN 0.050 nan 8.240 nan 0.000 0.454 172 R N 0.744 121.325 120.500 0.134 0.000 2.096 172 R HA 0.038 4.425 4.340 0.079 0.000 0.235 172 R C 2.925 179.279 176.300 0.090 0.000 1.127 172 R CA 1.341 57.519 56.100 0.130 0.000 0.968 172 R CB -0.305 30.088 30.300 0.155 0.000 0.861 172 R HN 0.441 nan 8.270 nan 0.000 0.440 173 R N -0.400 120.132 120.500 0.054 0.000 2.083 173 R HA -0.157 4.230 4.340 0.079 0.000 0.237 173 R C 2.041 178.193 176.300 -0.248 0.000 1.137 173 R CA 1.866 57.869 56.100 -0.163 0.000 0.951 173 R CB -0.353 29.834 30.300 -0.189 0.000 0.851 173 R HN 0.435 nan 8.270 nan 0.000 0.434 174 H N -0.503 118.553 119.070 -0.023 0.000 2.363 174 H HA -0.066 4.536 4.556 0.078 0.000 0.301 174 H C 1.762 177.071 175.328 -0.031 0.000 1.074 174 H CA 1.088 57.122 56.048 -0.023 0.000 1.354 174 H CB 0.046 29.803 29.762 -0.010 0.000 1.397 174 H HN -0.002 nan 8.280 nan 0.000 0.516 175 L N 0.585 121.863 121.223 0.093 0.000 2.017 175 L HA -0.145 4.242 4.340 0.079 0.000 0.208 175 L C 2.569 179.429 176.870 -0.017 0.000 1.073 175 L CA 1.788 56.648 54.840 0.033 0.000 0.745 175 L CB -1.110 40.977 42.059 0.046 0.000 0.894 175 L HN 0.333 nan 8.230 nan 0.000 0.432 176 A N -0.971 121.816 122.820 -0.054 0.000 1.908 176 A HA -0.212 4.155 4.320 0.079 0.000 0.218 176 A C 2.355 179.936 177.584 -0.005 0.000 1.181 176 A CA 1.805 53.784 52.037 -0.097 0.000 0.627 176 A CB -0.830 18.026 19.000 -0.240 0.000 0.818 176 A HN 0.411 nan 8.150 nan 0.000 0.445 177 L N -0.807 120.415 121.223 -0.003 0.000 1.994 177 L HA -0.213 4.174 4.340 0.079 0.000 0.208 177 L C 2.506 179.426 176.870 0.084 0.000 1.071 177 L CA 2.407 57.288 54.840 0.068 0.000 0.745 177 L CB -0.482 41.586 42.059 0.016 0.000 0.892 177 L HN 0.429 nan 8.230 nan 0.000 0.431 178 K N -0.441 119.981 120.400 0.037 0.000 2.074 178 K HA -0.219 4.148 4.320 0.079 0.000 0.209 178 K C 2.008 178.618 176.600 0.017 0.000 1.048 178 K CA 1.704 58.001 56.287 0.017 0.000 0.926 178 K CB -0.152 32.335 32.500 -0.021 0.000 0.713 178 K HN 0.505 nan 8.250 nan 0.000 0.444 179 A N -0.040 122.761 122.820 -0.031 0.000 1.897 179 A HA -0.097 4.270 4.320 0.079 0.000 0.215 179 A C 1.839 179.393 177.584 -0.051 0.000 1.181 179 A CA 1.108 53.097 52.037 -0.079 0.000 0.620 179 A CB -0.593 18.276 19.000 -0.218 0.000 0.821 179 A HN 0.266 nan 8.150 nan 0.000 0.443 180 F N 0.873 120.848 119.950 0.042 0.000 2.293 180 F HA -0.072 4.502 4.527 0.078 0.000 0.300 180 F C 2.599 178.428 175.800 0.047 0.000 1.086 180 F CA 1.594 59.617 58.000 0.037 0.000 1.375 180 F CB -0.797 38.211 39.000 0.012 0.000 1.045 180 F HN 0.147 nan 8.300 nan 0.000 0.516 181 T N -2.096 112.590 114.554 0.220 0.000 2.770 181 T HA -0.206 4.191 4.350 0.079 0.000 0.263 181 T C 1.753 176.556 174.700 0.171 0.000 1.039 181 T CA 1.623 63.818 62.100 0.159 0.000 1.142 181 T CB -0.457 68.480 68.868 0.114 0.000 0.868 181 T HN 0.223 nan 8.240 nan 0.000 0.435 182 H N 1.662 120.759 119.070 0.044 0.000 2.290 182 H HA -0.108 4.494 4.556 0.078 0.000 0.298 182 H C 2.473 177.835 175.328 0.058 0.000 1.087 182 H CA 2.307 58.371 56.048 0.026 0.000 1.291 182 H CB -0.622 29.126 29.762 -0.024 0.000 1.369 182 H HN 0.458 nan 8.280 nan 0.000 0.492 183 T N -2.329 112.257 114.554 0.054 0.000 2.904 183 T HA 0.032 4.429 4.350 0.079 0.000 0.267 183 T C 2.252 177.006 174.700 0.091 0.000 1.059 183 T CA 1.011 63.130 62.100 0.030 0.000 1.137 183 T CB -0.676 68.224 68.868 0.053 0.000 0.879 183 T HN 0.390 nan 8.240 nan 0.000 0.467 184 A N 1.792 124.680 122.820 0.113 0.000 1.877 184 A HA -0.123 4.244 4.320 0.079 0.000 0.216 184 A C 2.479 180.096 177.584 0.055 0.000 1.186 184 A CA 1.679 53.767 52.037 0.085 0.000 0.620 184 A CB -0.931 18.125 19.000 0.093 0.000 0.822 184 A HN 0.586 nan 8.150 nan 0.000 0.443 185 Q N -2.147 117.694 119.800 0.068 0.000 2.084 185 Q HA -0.203 4.184 4.340 0.079 0.000 0.202 185 Q C 2.000 178.022 176.000 0.037 0.000 0.978 185 Q CA 1.840 57.675 55.803 0.054 0.000 0.844 185 Q CB -0.343 28.442 28.738 0.078 0.000 0.898 185 Q HN 0.795 nan 8.270 nan 0.000 0.426 186 Y N 1.668 121.899 120.300 -0.115 0.000 2.097 186 Y HA -0.265 4.332 4.550 0.079 0.000 0.282 186 Y C 1.602 177.388 175.900 -0.190 0.000 1.152 186 Y CA 1.974 59.980 58.100 -0.157 0.000 1.136 186 Y CB -0.109 38.220 38.460 -0.218 0.000 0.975 186 Y HN 0.109 nan 8.280 nan 0.000 0.498 187 D N -0.491 119.839 120.400 -0.116 0.000 2.269 187 D HA -0.068 4.619 4.640 0.079 0.000 0.208 187 D C 2.141 178.304 176.300 -0.228 0.000 0.963 187 D CA 1.083 54.944 54.000 -0.233 0.000 0.864 187 D CB -0.414 40.318 40.800 -0.113 0.000 0.936 187 D HN 0.446 nan 8.370 nan 0.000 0.505 188 A N 0.656 123.395 122.820 -0.135 0.000 1.969 188 A HA 0.017 4.384 4.320 0.079 0.000 0.218 188 A C 2.241 179.742 177.584 -0.138 0.000 1.169 188 A CA 1.774 53.747 52.037 -0.107 0.000 0.635 188 A CB -0.515 18.463 19.000 -0.038 0.000 0.810 188 A HN 0.226 nan 8.150 nan 0.000 0.445 189 A N 0.018 122.744 122.820 -0.158 0.000 1.929 189 A HA 0.021 4.388 4.320 0.079 0.000 0.216 189 A C 2.074 179.579 177.584 -0.131 0.000 1.176 189 A CA 1.249 53.234 52.037 -0.087 0.000 0.628 189 A CB -0.538 18.460 19.000 -0.004 0.000 0.816 189 A HN 0.479 nan 8.150 nan 0.000 0.444 190 I N 0.210 120.469 120.570 -0.519 0.000 2.127 190 I HA -0.281 3.937 4.170 0.079 0.000 0.241 190 I C 2.722 178.616 176.117 -0.371 0.000 1.075 190 I CA 1.653 62.526 61.300 -0.711 0.000 1.334 190 I CB -0.574 36.786 38.000 -1.067 0.000 1.040 190 I HN 0.253 nan 8.210 nan 0.000 0.405 191 S N 0.391 115.896 115.700 -0.325 0.000 2.372 191 S HA -0.292 4.225 4.470 0.079 0.000 0.227 191 S C 1.706 176.263 174.600 -0.073 0.000 1.044 191 S CA 1.980 60.076 58.200 -0.173 0.000 1.050 191 S CB -0.518 62.593 63.200 -0.148 0.000 0.901 191 S HN 0.498 nan 8.310 nan 0.000 0.447 192 D N 0.182 120.517 120.400 -0.107 0.000 2.104 192 D HA -0.155 4.533 4.640 0.079 0.000 0.194 192 D C 1.775 178.100 176.300 0.042 0.000 0.994 192 D CA 1.153 55.081 54.000 -0.120 0.000 0.830 192 D CB -0.362 40.368 40.800 -0.116 0.000 0.959 192 D HN 0.425 nan 8.370 nan 0.000 0.452 193 Y N 0.060 120.380 120.300 0.033 0.000 2.145 193 Y HA -0.137 4.459 4.550 0.077 0.000 0.286 193 Y C 2.171 178.129 175.900 0.097 0.000 1.145 193 Y CA 1.514 59.683 58.100 0.115 0.000 1.148 193 Y CB -0.833 37.828 38.460 0.336 0.000 0.981 193 Y HN 0.022 nan 8.280 nan 0.000 0.507 194 F N -0.183 119.655 119.950 -0.187 0.000 2.134 194 F HA -0.240 4.334 4.527 0.078 0.000 0.299 194 F C 2.580 178.244 175.800 -0.228 0.000 1.097 194 F CA 1.220 59.034 58.000 -0.310 0.000 1.264 194 F CB -0.247 38.715 39.000 -0.063 0.000 1.001 194 F HN -0.085 nan 8.300 nan 0.000 0.479 195 R N 0.344 120.871 120.500 0.044 0.000 2.091 195 R HA -0.183 4.204 4.340 0.079 0.000 0.238 195 R C 2.056 178.316 176.300 -0.067 0.000 1.136 195 R CA 1.581 57.679 56.100 -0.003 0.000 0.959 195 R CB -0.297 29.985 30.300 -0.029 0.000 0.856 195 R HN 0.207 nan 8.270 nan 0.000 0.437 196 K N -0.098 120.232 120.400 -0.117 0.000 2.103 196 K HA -0.132 4.235 4.320 0.079 0.000 0.204 196 K C 1.948 178.423 176.600 -0.208 0.000 1.052 196 K CA 1.116 57.330 56.287 -0.121 0.000 0.945 196 K CB 0.104 32.557 32.500 -0.080 0.000 0.722 196 K HN -0.041 nan 8.250 nan 0.000 0.443 197 E N -0.961 118.984 120.200 -0.425 0.000 2.122 197 E HA -0.054 4.343 4.350 0.079 0.000 0.190 197 E C 0.900 177.294 176.600 -0.345 0.000 0.977 197 E CA 1.139 57.206 56.400 -0.555 0.000 0.820 197 E CB 0.199 29.248 29.700 -1.086 0.000 0.770 197 E HN 0.275 nan 8.360 nan 0.000 0.462 198 Y N -1.596 118.568 120.300 -0.226 0.000 2.462 198 Y HA 0.390 4.988 4.550 0.079 0.000 0.253 198 Y C 1.467 177.306 175.900 -0.101 0.000 1.095 198 Y CA -0.073 57.921 58.100 -0.175 0.000 1.283 198 Y CB 0.468 38.801 38.460 -0.211 0.000 1.138 198 Y HN -0.096 nan 8.280 nan 0.000 0.522 199 S N 0.036 115.769 115.700 0.055 0.000 2.741 199 S HA 0.130 4.647 4.470 0.079 0.000 0.247 199 S C 0.222 174.827 174.600 0.008 0.000 1.050 199 S CA -0.399 57.824 58.200 0.038 0.000 1.025 199 S CB -0.173 63.058 63.200 0.051 0.000 0.897 199 S HN -0.014 nan 8.310 nan 0.000 0.508 200 K N 1.323 121.718 120.400 -0.008 0.000 2.453 200 K HA 0.121 4.488 4.320 0.079 0.000 0.280 200 K C 1.161 177.752 176.600 -0.014 0.000 1.045 200 K CA 1.260 57.537 56.287 -0.016 0.000 1.059 200 K CB 0.048 32.533 32.500 -0.026 0.000 0.901 200 K HN 0.506 nan 8.250 nan 0.000 0.475 201 G N 2.583 111.373 108.800 -0.017 0.000 2.189 201 G HA2 -0.266 3.741 3.960 0.079 0.000 0.267 201 G HA3 -0.266 3.741 3.960 0.079 0.000 0.267 201 G C 0.586 175.471 174.900 -0.025 0.000 0.975 201 G CA 0.502 45.587 45.100 -0.025 0.000 0.644 201 G HN 0.464 nan 8.290 nan 0.000 0.537 202 V N 0.425 120.331 119.914 -0.014 0.000 2.784 202 V HA 0.228 4.395 4.120 0.079 0.000 0.231 202 V C 2.351 178.440 176.094 -0.008 0.000 1.128 202 V CA 2.271 64.564 62.300 -0.012 0.000 1.178 202 V CB 0.281 32.104 31.823 -0.001 0.000 0.943 202 V HN 0.935 nan 8.190 nan 0.000 0.500 203 S N -1.325 114.383 115.700 0.013 0.000 2.559 203 S HA 0.246 4.764 4.470 0.079 0.000 0.226 203 S C 0.430 175.066 174.600 0.060 0.000 1.000 203 S CA -0.159 58.060 58.200 0.031 0.000 0.948 203 S CB 0.376 63.608 63.200 0.054 0.000 0.870 203 S HN 0.447 nan 8.310 nan 0.000 0.497 204 Q N 0.835 120.659 119.800 0.040 0.000 2.315 204 Q HA 0.563 4.950 4.340 0.079 0.000 0.273 204 Q C -2.323 173.689 176.000 0.020 0.000 1.053 204 Q CA -0.658 55.180 55.803 0.058 0.000 0.817 204 Q CB 2.294 31.055 28.738 0.038 0.000 1.326 204 Q HN 0.454 nan 8.270 nan 0.000 0.423 205 L N 5.297 126.534 121.223 0.022 0.000 2.404 205 L HA 0.634 5.021 4.340 0.079 0.000 0.272 205 L C -2.731 174.143 176.870 0.007 0.000 0.980 205 L CA -1.441 53.395 54.840 -0.007 0.000 0.836 205 L CB 2.008 44.043 42.059 -0.040 0.000 1.238 205 L HN 0.373 nan 8.230 nan 0.000 0.408 206 P HA 0.308 nan 4.420 nan 0.000 0.275 206 P C -1.121 176.177 177.300 -0.004 0.000 1.227 206 P CA 0.057 63.164 63.100 0.011 0.000 0.781 206 P CB 0.744 32.446 31.700 0.003 0.000 0.906 207 L N 3.041 124.270 121.223 0.010 0.000 2.330 207 L HA 0.480 4.867 4.340 0.079 0.000 0.271 207 L C 2.030 178.868 176.870 -0.053 0.000 1.013 207 L CA -0.898 53.927 54.840 -0.025 0.000 0.816 207 L CB 1.672 43.742 42.059 0.018 0.000 1.287 207 L HN 0.370 nan 8.230 nan 0.000 0.435 208 R N 1.259 121.663 120.500 -0.160 0.000 2.105 208 R HA -0.085 4.303 4.340 0.079 0.000 0.239 208 R C -0.351 175.881 176.300 -0.113 0.000 1.135 208 R CA 1.401 57.387 56.100 -0.190 0.000 0.967 208 R CB -0.444 29.659 30.300 -0.328 0.000 0.861 208 R HN 0.623 nan 8.270 nan 0.000 0.442 209 Y N -3.661 116.660 120.300 0.034 0.000 2.925 209 Y HA 0.599 5.193 4.550 0.073 0.000 0.349 209 Y C 0.276 176.173 175.900 -0.006 0.000 1.342 209 Y CA -1.220 56.879 58.100 -0.003 0.000 1.093 209 Y CB 0.013 38.451 38.460 -0.037 0.000 1.571 209 Y HN -0.056 nan 8.280 nan 0.000 0.438 210 G N 0.555 109.443 108.800 0.148 0.000 2.873 210 G HA2 0.199 4.206 3.960 0.079 0.000 0.170 210 G HA3 0.199 4.206 3.960 0.079 0.000 0.170 210 G C 0.618 175.399 174.900 -0.198 0.000 1.608 210 G CA -0.334 44.613 45.100 -0.255 0.000 1.084 210 G HN 0.630 nan 8.290 nan 0.000 0.563 211 M N 0.447 119.756 119.600 -0.486 0.000 2.202 211 M HA 0.015 4.542 4.480 0.079 0.000 0.262 211 M C 0.136 176.415 176.300 -0.035 0.000 1.063 211 M CA 1.219 56.405 55.300 -0.190 0.000 1.097 211 M CB -0.848 31.628 32.600 -0.207 0.000 1.382 211 M HN 0.289 nan 8.290 nan 0.000 0.413 212 N N -1.554 117.050 118.700 -0.160 0.000 2.329 212 N HA 0.232 5.019 4.740 0.079 0.000 0.282 212 N C -2.218 172.969 175.510 -0.538 0.000 1.198 212 N CA -1.179 51.722 53.050 -0.249 0.000 0.790 212 N CB 1.773 40.109 38.487 -0.252 0.000 1.579 212 N HN -0.295 nan 8.380 nan 0.000 0.475 213 P HA -0.194 nan 4.420 nan 0.000 0.217 213 P C 1.098 178.102 177.300 -0.494 0.000 1.151 213 P CA 1.591 64.048 63.100 -1.072 0.000 0.849 213 P CB -0.101 31.259 31.700 -0.566 0.000 0.787 214 H N -1.481 117.436 119.070 -0.255 0.000 2.555 214 H HA 0.092 4.696 4.556 0.081 0.000 0.269 214 H C 0.193 175.472 175.328 -0.081 0.000 0.988 214 H CA 0.354 56.324 56.048 -0.130 0.000 1.178 214 H CB -0.566 29.141 29.762 -0.092 0.000 1.373 214 H HN 0.228 nan 8.280 nan 0.000 0.588 215 Q N 2.273 121.793 119.800 -0.467 0.000 2.456 215 Q HA 0.312 4.699 4.340 0.079 0.000 0.234 215 Q C -0.491 175.455 176.000 -0.091 0.000 1.061 215 Q CA -0.500 55.134 55.803 -0.281 0.000 0.896 215 Q CB 1.272 29.778 28.738 -0.386 0.000 1.233 215 Q HN 0.472 nan 8.270 nan 0.000 0.506 216 S N 0.996 116.684 115.700 -0.020 0.000 2.618 216 S HA 0.798 5.315 4.470 0.079 0.000 0.277 216 S C -2.337 172.281 174.600 0.030 0.000 1.138 216 S CA -1.235 56.986 58.200 0.035 0.000 0.844 216 S CB 0.988 64.236 63.200 0.080 0.000 1.127 216 S HN 0.363 nan 8.310 nan 0.000 0.474 217 P HA 0.813 nan 4.420 nan 0.000 0.279 217 P C -1.030 176.313 177.300 0.071 0.000 1.282 217 P CA -0.593 62.543 63.100 0.059 0.000 0.788 217 P CB 0.413 32.146 31.700 0.054 0.000 1.139 218 A N -0.188 122.690 122.820 0.097 0.000 2.594 218 A HA 0.657 5.024 4.320 0.079 0.000 0.295 218 A C -1.399 176.276 177.584 0.152 0.000 1.071 218 A CA -0.552 51.576 52.037 0.153 0.000 0.685 218 A CB 1.752 20.870 19.000 0.197 0.000 1.285 218 A HN 0.779 nan 8.150 nan 0.000 0.405 219 Q N 0.157 120.069 119.800 0.187 0.000 2.522 219 Q HA 0.732 5.119 4.340 0.079 0.000 0.285 219 Q C -2.080 173.976 176.000 0.093 0.000 0.982 219 Q CA -0.863 55.020 55.803 0.133 0.000 0.805 219 Q CB 1.566 30.396 28.738 0.154 0.000 1.457 219 Q HN 0.910 nan 8.270 nan 0.000 0.394 220 L N 2.628 123.867 121.223 0.026 0.000 2.317 220 L HA 0.725 5.112 4.340 0.079 0.000 0.281 220 L C -1.587 175.317 176.870 0.057 0.000 1.024 220 L CA -0.325 54.484 54.840 -0.053 0.000 0.810 220 L CB 1.397 43.376 42.059 -0.132 0.000 1.240 220 L HN 0.737 nan 8.230 nan 0.000 0.427 221 Y N 1.193 121.464 120.300 -0.049 0.000 2.625 221 Y HA 0.816 5.421 4.550 0.091 0.000 0.338 221 Y C -1.026 174.853 175.900 -0.034 0.000 1.123 221 Y CA -1.020 57.060 58.100 -0.033 0.000 1.046 221 Y CB 1.486 39.943 38.460 -0.006 0.000 1.299 221 Y HN 0.607 nan 8.280 nan 0.000 0.464 222 T N -0.056 114.622 114.554 0.207 0.000 2.903 222 T HA 0.386 4.784 4.350 0.079 0.000 0.299 222 T C 0.359 175.197 174.700 0.230 0.000 1.093 222 T CA -0.040 62.134 62.100 0.125 0.000 1.002 222 T CB 1.317 70.198 68.868 0.020 0.000 1.127 222 T HN 1.036 nan 8.240 nan 0.000 0.488 223 T N 0.672 115.334 114.554 0.181 0.000 3.107 223 T HA 0.347 4.745 4.350 0.079 0.000 0.249 223 T C 0.817 175.576 174.700 0.098 0.000 1.096 223 T CA -0.122 62.068 62.100 0.149 0.000 1.012 223 T CB -0.044 68.906 68.868 0.136 0.000 0.977 223 T HN 0.440 nan 8.240 nan 0.000 0.527 224 R N 1.362 121.918 120.500 0.093 0.000 2.541 224 R HA 0.357 4.744 4.340 0.079 0.000 0.263 224 R C -1.624 174.713 176.300 0.063 0.000 1.112 224 R CA -2.056 54.090 56.100 0.076 0.000 1.170 224 R CB 0.015 30.370 30.300 0.092 0.000 1.167 224 R HN -0.030 nan 8.270 nan 0.000 0.582 225 P HA -0.154 nan 4.420 nan 0.000 0.218 225 P C -0.749 176.569 177.300 0.030 0.000 1.149 225 P CA 1.498 64.622 63.100 0.040 0.000 0.817 225 P CB 0.223 31.942 31.700 0.032 0.000 0.785 226 K N -1.740 118.672 120.400 0.020 0.000 2.527 226 K HA 0.389 4.756 4.320 0.079 0.000 0.260 226 K C -1.113 175.464 176.600 -0.037 0.000 0.937 226 K CA -0.901 55.383 56.287 -0.005 0.000 0.826 226 K CB 0.998 33.490 32.500 -0.012 0.000 1.359 226 K HN -0.225 nan 8.250 nan 0.000 0.434 227 L N 3.474 124.655 121.223 -0.070 0.000 2.456 227 L HA 0.171 4.558 4.340 0.079 0.000 0.272 227 L C -1.175 175.574 176.870 -0.202 0.000 1.189 227 L CA -1.441 53.310 54.840 -0.148 0.000 0.846 227 L CB 0.790 42.767 42.059 -0.136 0.000 1.111 227 L HN 0.738 nan 8.230 nan 0.000 0.475 228 P HA -0.030 nan 4.420 nan 0.000 0.236 228 P C -0.096 177.007 177.300 -0.328 0.000 1.177 228 P CA 0.376 63.259 63.100 -0.361 0.000 0.773 228 P CB 0.422 31.702 31.700 -0.700 0.000 0.878 229 L N 1.615 122.645 121.223 -0.321 0.000 2.287 229 L HA 0.428 4.815 4.340 0.079 0.000 0.287 229 L C -0.164 176.595 176.870 -0.186 0.000 1.022 229 L CA -0.303 54.371 54.840 -0.277 0.000 0.814 229 L CB 1.239 43.120 42.059 -0.297 0.000 1.217 229 L HN -0.127 nan 8.230 nan 0.000 0.420 230 T N 1.922 116.387 114.554 -0.148 0.000 2.863 230 T HA 0.654 5.051 4.350 0.079 0.000 0.285 230 T C -0.445 174.204 174.700 -0.085 0.000 1.009 230 T CA -0.824 61.215 62.100 -0.103 0.000 0.989 230 T CB 1.440 70.260 68.868 -0.080 0.000 1.004 230 T HN 0.258 nan 8.240 nan 0.000 0.455 231 V N 4.180 124.047 119.914 -0.079 0.000 2.427 231 V HA 0.161 4.328 4.120 0.079 0.000 0.268 231 V C 1.225 177.272 176.094 -0.078 0.000 1.046 231 V CA -0.375 61.879 62.300 -0.077 0.000 0.970 231 V CB 0.559 32.338 31.823 -0.074 0.000 1.001 231 V HN 0.925 nan 8.190 nan 0.000 0.476 232 V N 3.723 123.578 119.914 -0.098 0.000 2.685 232 V HA 0.149 4.316 4.120 0.079 0.000 0.244 232 V C 0.706 176.727 176.094 -0.122 0.000 1.054 232 V CA 0.904 63.135 62.300 -0.114 0.000 1.076 232 V CB -0.206 31.517 31.823 -0.167 0.000 0.725 232 V HN 0.925 nan 8.190 nan 0.000 0.467 233 N N -1.567 117.052 118.700 -0.136 0.000 2.331 233 N HA 0.542 5.330 4.740 0.079 0.000 0.280 233 N C -0.057 175.388 175.510 -0.108 0.000 1.155 233 N CA 0.652 53.635 53.050 -0.111 0.000 0.822 233 N CB 2.009 40.429 38.487 -0.112 0.000 1.619 233 N HN 0.391 nan 8.380 nan 0.000 0.476 234 G N 0.855 109.609 108.800 -0.078 0.000 2.601 234 G HA2 -0.082 3.925 3.960 0.079 0.000 0.252 234 G HA3 -0.082 3.925 3.960 0.079 0.000 0.252 234 G C -0.792 174.064 174.900 -0.074 0.000 1.294 234 G CA 0.039 45.095 45.100 -0.075 0.000 0.912 234 G HN 1.133 nan 8.290 nan 0.000 0.574 235 S N 1.125 116.781 115.700 -0.074 0.000 2.649 235 S HA 0.679 5.196 4.470 0.079 0.000 0.274 235 S C -2.621 171.936 174.600 -0.071 0.000 1.176 235 S CA -0.002 58.157 58.200 -0.069 0.000 0.988 235 S CB 2.000 65.163 63.200 -0.062 0.000 1.071 235 S HN 0.825 nan 8.310 nan 0.000 0.478 236 P HA 0.435 nan 4.420 nan 0.000 0.277 236 P C 0.224 177.469 177.300 -0.092 0.000 1.240 236 P CA -0.184 62.880 63.100 -0.060 0.000 0.798 236 P CB 0.856 32.509 31.700 -0.079 0.000 0.979 237 G N 0.215 108.964 108.800 -0.086 0.000 2.552 237 G HA2 0.282 4.289 3.960 0.079 0.000 0.318 237 G HA3 0.282 4.289 3.960 0.079 0.000 0.318 237 G C 0.167 175.053 174.900 -0.024 0.000 1.240 237 G CA -0.739 44.300 45.100 -0.102 0.000 1.002 237 G HN 0.391 nan 8.290 nan 0.000 0.493 238 F N -0.100 119.782 119.950 -0.113 0.000 2.046 238 F HA -0.104 4.440 4.527 0.029 0.000 0.297 238 F C 2.589 178.357 175.800 -0.054 0.000 1.123 238 F CA 1.747 59.709 58.000 -0.063 0.000 1.199 238 F CB -0.095 38.898 39.000 -0.011 0.000 0.972 238 F HN 0.259 nan 8.300 nan 0.000 0.474 239 I N 0.245 120.989 120.570 0.291 0.000 2.286 239 I HA -0.360 3.857 4.170 0.079 0.000 0.248 239 I C 1.977 178.082 176.117 -0.019 0.000 1.115 239 I CA 1.752 63.152 61.300 0.166 0.000 1.392 239 I CB -0.893 37.227 38.000 0.201 0.000 1.065 239 I HN 0.257 nan 8.210 nan 0.000 0.418 240 N N 1.017 119.681 118.700 -0.060 0.000 2.049 240 N HA -0.239 4.549 4.740 0.079 0.000 0.198 240 N C 1.869 177.038 175.510 -0.569 0.000 1.030 240 N CA 1.416 54.317 53.050 -0.248 0.000 0.870 240 N CB -0.259 38.163 38.487 -0.108 0.000 1.045 240 N HN 0.298 nan 8.380 nan 0.000 0.434 241 L N 0.055 121.036 121.223 -0.403 0.000 2.109 241 L HA -0.098 4.289 4.340 0.079 0.000 0.207 241 L C 2.421 179.067 176.870 -0.373 0.000 1.086 241 L CA 0.492 55.073 54.840 -0.432 0.000 0.760 241 L CB -0.381 41.455 42.059 -0.372 0.000 0.910 241 L HN 0.375 nan 8.230 nan 0.000 0.437 242 C N -0.008 119.118 119.300 -0.290 0.000 2.413 242 C HA -0.176 4.331 4.460 0.079 0.000 0.276 242 C C 2.488 177.418 174.990 -0.100 0.000 1.248 242 C CA 0.734 59.663 59.018 -0.148 0.000 1.742 242 C CB -0.702 27.027 27.740 -0.019 0.000 2.017 242 C HN 0.549 nan 8.230 nan 0.000 0.481 243 D N 0.681 120.991 120.400 -0.150 0.000 2.084 243 D HA -0.061 4.626 4.640 0.079 0.000 0.196 243 D C 2.358 178.370 176.300 -0.479 0.000 0.985 243 D CA 1.722 55.645 54.000 -0.129 0.000 0.826 243 D CB -0.618 40.164 40.800 -0.030 0.000 0.978 243 D HN 0.461 nan 8.370 nan 0.000 0.456 244 A N 0.842 123.235 122.820 -0.711 0.000 1.883 244 A HA -0.146 4.221 4.320 0.079 0.000 0.217 244 A C 2.434 179.826 177.584 -0.320 0.000 1.186 244 A CA 1.139 52.791 52.037 -0.641 0.000 0.624 244 A CB -0.815 17.669 19.000 -0.859 0.000 0.822 244 A HN 0.215 nan 8.150 nan 0.000 0.444 245 L N -0.623 120.432 121.223 -0.279 0.000 2.179 245 L HA -0.106 4.281 4.340 0.079 0.000 0.208 245 L C 2.289 179.083 176.870 -0.126 0.000 1.096 245 L CA 0.772 55.533 54.840 -0.131 0.000 0.779 245 L CB -0.533 41.453 42.059 -0.122 0.000 0.922 245 L HN 0.404 nan 8.230 nan 0.000 0.443 246 N N 0.439 119.014 118.700 -0.208 0.000 2.142 246 N HA -0.113 4.674 4.740 0.079 0.000 0.186 246 N C 1.903 177.043 175.510 -0.617 0.000 1.023 246 N CA 1.476 54.375 53.050 -0.251 0.000 0.852 246 N CB -0.017 38.519 38.487 0.081 0.000 0.998 246 N HN 0.275 nan 8.380 nan 0.000 0.424 247 A N 1.356 123.595 122.820 -0.969 0.000 1.930 247 A HA -0.142 4.225 4.320 0.079 0.000 0.217 247 A C 2.022 179.395 177.584 -0.350 0.000 1.175 247 A CA 0.769 52.240 52.037 -0.944 0.000 0.627 247 A CB -1.028 17.427 19.000 -0.909 0.000 0.815 247 A HN 0.595 nan 8.150 nan 0.000 0.443 248 W N 0.824 121.903 121.300 -0.368 0.000 2.358 248 W HA -0.226 4.477 4.660 0.071 0.000 0.303 248 W C 1.974 178.346 176.519 -0.244 0.000 1.208 248 W CA 1.972 59.181 57.345 -0.228 0.000 1.274 248 W CB -0.327 29.030 29.460 -0.172 0.000 1.138 248 W HN 0.504 nan 8.180 nan 0.000 0.515 249 Q N 0.696 120.202 119.800 -0.491 0.000 2.020 249 Q HA -0.248 4.139 4.340 0.079 0.000 0.202 249 Q C 2.524 178.102 176.000 -0.704 0.000 0.982 249 Q CA 1.972 57.395 55.803 -0.633 0.000 0.838 249 Q CB -0.746 27.600 28.738 -0.652 0.000 0.899 249 Q HN 0.364 nan 8.270 nan 0.000 0.423 250 L N 0.767 121.495 121.223 -0.824 0.000 1.978 250 L HA -0.260 4.128 4.340 0.079 0.000 0.218 250 L C 2.459 179.187 176.870 -0.236 0.000 1.075 250 L CA 1.949 56.565 54.840 -0.373 0.000 0.767 250 L CB -0.471 41.529 42.059 -0.097 0.000 0.890 250 L HN 0.272 nan 8.230 nan 0.000 0.434 251 V N -2.481 117.264 119.914 -0.282 0.000 2.427 251 V HA -0.273 3.894 4.120 0.079 0.000 0.248 251 V C 2.502 178.373 176.094 -0.371 0.000 1.051 251 V CA 2.103 64.256 62.300 -0.245 0.000 1.048 251 V CB -0.940 30.775 31.823 -0.179 0.000 0.666 251 V HN 0.550 nan 8.190 nan 0.000 0.456 252 K N 0.370 120.372 120.400 -0.664 0.000 2.103 252 K HA -0.231 4.136 4.320 0.079 0.000 0.207 252 K C 2.201 178.605 176.600 -0.326 0.000 1.048 252 K CA 2.207 58.105 56.287 -0.649 0.000 0.930 252 K CB -0.202 31.728 32.500 -0.950 0.000 0.716 252 K HN 0.701 nan 8.250 nan 0.000 0.444 253 E N 0.363 120.414 120.200 -0.250 0.000 2.112 253 E HA -0.097 4.300 4.350 0.079 0.000 0.190 253 E C 2.074 178.630 176.600 -0.073 0.000 0.979 253 E CA 0.672 57.003 56.400 -0.113 0.000 0.814 253 E CB 0.043 29.726 29.700 -0.028 0.000 0.762 253 E HN 0.267 nan 8.360 nan 0.000 0.460 254 L N 0.981 122.162 121.223 -0.070 0.000 2.042 254 L HA -0.239 4.148 4.340 0.079 0.000 0.210 254 L C 2.515 179.360 176.870 -0.042 0.000 1.076 254 L CA 1.279 56.099 54.840 -0.034 0.000 0.749 254 L CB -0.262 41.786 42.059 -0.019 0.000 0.893 254 L HN 0.041 nan 8.230 nan 0.000 0.432 255 K N 0.069 120.423 120.400 -0.076 0.000 2.103 255 K HA -0.167 4.200 4.320 0.079 0.000 0.204 255 K C 2.046 178.615 176.600 -0.052 0.000 1.052 255 K CA 1.287 57.537 56.287 -0.062 0.000 0.945 255 K CB -0.026 32.423 32.500 -0.086 0.000 0.722 255 K HN 0.264 nan 8.250 nan 0.000 0.443 256 Q N -0.465 119.295 119.800 -0.065 0.000 2.119 256 Q HA -0.044 4.344 4.340 0.079 0.000 0.201 256 Q C 2.078 178.059 176.000 -0.032 0.000 0.972 256 Q CA 1.481 57.255 55.803 -0.048 0.000 0.847 256 Q CB -0.165 28.539 28.738 -0.056 0.000 0.903 256 Q HN 0.461 nan 8.270 nan 0.000 0.433 257 A N -0.062 122.741 122.820 -0.027 0.000 1.929 257 A HA -0.097 4.270 4.320 0.079 0.000 0.216 257 A C 1.617 179.200 177.584 -0.002 0.000 1.176 257 A CA 1.154 53.184 52.037 -0.013 0.000 0.628 257 A CB 0.103 19.101 19.000 -0.002 0.000 0.816 257 A HN 0.248 nan 8.150 nan 0.000 0.444 258 L N -2.203 119.018 121.223 -0.003 0.000 2.781 258 L HA 0.329 4.717 4.340 0.079 0.000 0.245 258 L C 1.553 178.423 176.870 0.000 0.000 1.118 258 L CA 0.863 55.706 54.840 0.004 0.000 0.918 258 L CB -0.443 41.623 42.059 0.010 0.000 1.246 258 L HN 0.582 nan 8.230 nan 0.000 0.526 259 G N 1.149 109.945 108.800 -0.007 0.000 2.258 259 G HA2 -0.291 3.717 3.960 0.079 0.000 0.274 259 G HA3 -0.291 3.717 3.960 0.079 0.000 0.274 259 G C 0.318 175.217 174.900 -0.001 0.000 1.021 259 G CA 0.709 45.805 45.100 -0.006 0.000 0.798 259 G HN 0.320 nan 8.290 nan 0.000 0.507 260 I N -0.204 120.366 120.570 0.001 0.000 2.545 260 I HA 0.302 4.519 4.170 0.079 0.000 0.292 260 I C -2.232 173.889 176.117 0.007 0.000 1.040 260 I CA -2.763 58.542 61.300 0.009 0.000 1.068 260 I CB 2.311 40.322 38.000 0.018 0.000 1.251 260 I HN -0.227 nan 8.210 nan 0.000 0.424 261 P HA -0.041 nan 4.420 nan 0.000 0.259 261 P C -0.789 176.526 177.300 0.026 0.000 1.163 261 P CA 0.375 63.485 63.100 0.016 0.000 0.760 261 P CB 0.418 32.135 31.700 0.028 0.000 0.762 262 A N 2.895 125.723 122.820 0.014 0.000 2.354 262 A HA 0.884 5.252 4.320 0.079 0.000 0.321 262 A C -0.705 176.912 177.584 0.055 0.000 1.125 262 A CA -0.275 51.778 52.037 0.027 0.000 0.799 262 A CB 1.720 20.714 19.000 -0.010 0.000 1.293 262 A HN 0.536 nan 8.150 nan 0.000 0.452 263 A N -0.394 122.487 122.820 0.101 0.000 2.594 263 A HA 0.981 5.349 4.320 0.079 0.000 0.291 263 A C -0.548 177.156 177.584 0.201 0.000 1.105 263 A CA -0.046 52.090 52.037 0.165 0.000 0.694 263 A CB 1.371 20.530 19.000 0.264 0.000 1.291 263 A HN 2.604 nan 8.150 nan 0.000 0.410 264 A N -0.218 122.759 122.820 0.263 0.000 2.574 264 A HA 0.813 5.180 4.320 0.079 0.000 0.297 264 A C -0.674 177.160 177.584 0.417 0.000 1.062 264 A CA 0.114 52.343 52.037 0.320 0.000 0.686 264 A CB 1.424 20.626 19.000 0.336 0.000 1.285 264 A HN 1.882 nan 8.150 nan 0.000 0.403 265 S N 0.933 116.890 115.700 0.429 0.000 2.596 265 S HA 0.744 5.261 4.470 0.079 0.000 0.318 265 S C -1.492 173.370 174.600 0.437 0.000 1.097 265 S CA -0.258 58.200 58.200 0.430 0.000 1.080 265 S CB -0.128 63.268 63.200 0.325 0.000 0.991 265 S HN 0.479 nan 8.310 nan 0.000 0.471 266 F N 3.275 123.356 119.950 0.218 0.000 2.458 266 F HA 0.758 5.325 4.527 0.068 0.000 0.330 266 F C 0.172 176.077 175.800 0.174 0.000 1.082 266 F CA -0.694 57.421 58.000 0.191 0.000 0.995 266 F CB 2.000 41.115 39.000 0.191 0.000 1.170 266 F HN 0.490 nan 8.300 nan 0.000 0.478 267 K N 1.314 121.826 120.400 0.186 0.000 2.550 267 K HA 0.314 4.681 4.320 0.079 0.000 0.252 267 K C -0.787 175.895 176.600 0.136 0.000 0.943 267 K CA -0.457 55.908 56.287 0.129 0.000 0.806 267 K CB 0.516 33.092 32.500 0.127 0.000 1.289 267 K HN 0.588 nan 8.250 nan 0.000 0.435 268 H N 3.042 122.215 119.070 0.172 0.000 2.557 268 H HA -0.152 4.448 4.556 0.073 0.000 0.319 268 H C -0.118 175.300 175.328 0.150 0.000 1.102 268 H CA 1.260 57.397 56.048 0.148 0.000 1.126 268 H CB -1.432 28.397 29.762 0.112 0.000 1.498 268 H HN 0.638 nan 8.280 nan 0.000 0.411 269 V N -1.806 118.297 119.914 0.314 0.000 3.774 269 V HA -0.315 3.852 4.120 0.079 0.000 0.216 269 V C 0.716 176.967 176.094 0.262 0.000 0.441 269 V CA 1.623 64.163 62.300 0.400 0.000 0.985 269 V CB -1.906 30.099 31.823 0.304 0.000 1.085 269 V HN 0.589 nan 8.190 nan 0.000 1.240 270 S N 0.229 115.869 115.700 -0.100 0.000 2.599 270 S HA 0.726 5.243 4.470 0.079 0.000 0.287 270 S C -2.748 171.222 174.600 -1.049 0.000 1.105 270 S CA -1.065 56.892 58.200 -0.404 0.000 0.899 270 S CB 3.024 66.158 63.200 -0.110 0.000 1.100 270 S HN 0.262 nan 8.310 nan 0.000 0.482 271 P HA 0.274 nan 4.420 nan 0.000 0.276 271 P C -0.065 177.086 177.300 -0.248 0.000 1.235 271 P CA -0.211 62.442 63.100 -0.745 0.000 0.772 271 P CB 0.942 32.483 31.700 -0.264 0.000 0.871 272 A N 3.561 126.323 122.820 -0.098 0.000 1.930 272 A HA 0.357 4.724 4.320 0.079 0.000 0.215 272 A C 1.116 178.727 177.584 0.046 0.000 1.176 272 A CA 1.525 53.574 52.037 0.020 0.000 0.632 272 A CB -0.727 18.325 19.000 0.087 0.000 0.819 272 A HN 0.661 nan 8.150 nan 0.000 0.445 273 G N -2.859 105.982 108.800 0.069 0.000 2.673 273 G HA2 0.679 4.686 3.960 0.079 0.000 0.292 273 G HA3 0.679 4.686 3.960 0.079 0.000 0.292 273 G C -1.254 173.717 174.900 0.119 0.000 1.450 273 G CA 0.138 45.284 45.100 0.077 0.000 0.837 273 G HN 1.213 nan 8.290 nan 0.000 0.505 274 A N -0.839 122.040 122.820 0.098 0.000 2.577 274 A HA 1.077 5.445 4.320 0.079 0.000 0.297 274 A C -0.516 177.119 177.584 0.085 0.000 1.060 274 A CA 0.212 52.323 52.037 0.124 0.000 0.697 274 A CB 1.400 20.488 19.000 0.146 0.000 1.281 274 A HN 2.590 nan 8.150 nan 0.000 0.402 275 A N 0.351 123.226 122.820 0.093 0.000 2.608 275 A HA 0.814 5.182 4.320 0.079 0.000 0.292 275 A C -0.450 177.177 177.584 0.071 0.000 1.066 275 A CA 0.038 52.119 52.037 0.074 0.000 0.676 275 A CB 0.610 19.658 19.000 0.079 0.000 1.277 275 A HN 2.303 nan 8.150 nan 0.000 0.413 276 V N -0.917 119.031 119.914 0.058 0.000 2.973 276 V HA 0.833 5.000 4.120 0.079 0.000 0.314 276 V C 0.854 176.987 176.094 0.064 0.000 1.066 276 V CA -0.016 62.315 62.300 0.052 0.000 1.021 276 V CB 1.452 33.296 31.823 0.036 0.000 1.076 276 V HN 1.694 nan 8.190 nan 0.000 0.462 277 G N 2.787 111.623 108.800 0.061 0.000 3.401 277 G HA2 0.306 4.313 3.960 0.079 0.000 0.251 277 G HA3 0.306 4.313 3.960 0.079 0.000 0.251 277 G C 0.202 175.143 174.900 0.069 0.000 0.960 277 G CA -0.354 44.788 45.100 0.071 0.000 1.900 277 G HN 0.519 nan 8.290 nan 0.000 0.645 278 I N 2.303 122.919 120.570 0.076 0.000 2.517 278 I HA 0.129 4.346 4.170 0.079 0.000 0.285 278 I C -1.690 174.487 176.117 0.099 0.000 1.106 278 I CA -2.977 58.371 61.300 0.079 0.000 1.402 278 I CB 0.382 38.431 38.000 0.082 0.000 1.399 278 I HN 0.143 nan 8.210 nan 0.000 0.535 279 P HA 0.045 nan 4.420 nan 0.000 0.265 279 P C -0.445 176.950 177.300 0.158 0.000 1.187 279 P CA 0.040 63.203 63.100 0.105 0.000 0.766 279 P CB 0.579 32.322 31.700 0.072 0.000 0.820 280 L N 1.755 123.114 121.223 0.226 0.000 2.350 280 L HA 0.226 4.613 4.340 0.079 0.000 0.275 280 L C 1.421 178.496 176.870 0.343 0.000 1.099 280 L CA -0.556 54.448 54.840 0.272 0.000 0.808 280 L CB 0.634 42.842 42.059 0.249 0.000 1.149 280 L HN 0.454 nan 8.230 nan 0.000 0.442 281 S N 0.512 116.348 115.700 0.227 0.000 2.589 281 S HA 0.012 4.530 4.470 0.079 0.000 0.265 281 S C 0.874 175.515 174.600 0.068 0.000 1.342 281 S CA -0.466 57.854 58.200 0.200 0.000 1.005 281 S CB 1.294 64.591 63.200 0.163 0.000 0.909 281 S HN 0.746 nan 8.310 nan 0.000 0.555 282 E N 0.536 120.789 120.200 0.088 0.000 2.209 282 E HA -0.180 4.217 4.350 0.079 0.000 0.196 282 E C 1.746 178.315 176.600 -0.051 0.000 0.993 282 E CA 1.248 57.597 56.400 -0.085 0.000 0.819 282 E CB -0.046 29.740 29.700 0.143 0.000 0.745 282 E HN 0.773 nan 8.360 nan 0.000 0.477 283 E N 0.084 120.286 120.200 0.004 0.000 2.107 283 E HA -0.191 4.206 4.350 0.079 0.000 0.191 283 E C 1.940 178.506 176.600 -0.057 0.000 0.982 283 E CA 0.855 57.246 56.400 -0.015 0.000 0.809 283 E CB 0.020 29.752 29.700 0.054 0.000 0.756 283 E HN 0.131 nan 8.360 nan 0.000 0.459 284 E N 1.051 121.256 120.200 0.009 0.000 2.152 284 E HA -0.067 4.330 4.350 0.079 0.000 0.192 284 E C 1.826 178.405 176.600 -0.034 0.000 0.983 284 E CA 0.986 57.400 56.400 0.024 0.000 0.818 284 E CB -0.117 29.696 29.700 0.189 0.000 0.758 284 E HN 0.214 nan 8.360 nan 0.000 0.467 285 A N 0.571 123.323 122.820 -0.112 0.000 1.892 285 A HA -0.311 4.057 4.320 0.079 0.000 0.218 285 A C 2.152 179.703 177.584 -0.054 0.000 1.188 285 A CA 1.973 53.917 52.037 -0.155 0.000 0.631 285 A CB -0.675 17.992 19.000 -0.555 0.000 0.822 285 A HN 0.368 nan 8.150 nan 0.000 0.447 286 Q N -0.737 119.025 119.800 -0.063 0.000 2.084 286 Q HA -0.115 4.273 4.340 0.079 0.000 0.202 286 Q C 2.115 178.044 176.000 -0.119 0.000 0.978 286 Q CA 1.655 57.403 55.803 -0.092 0.000 0.844 286 Q CB -0.307 28.327 28.738 -0.172 0.000 0.898 286 Q HN 0.514 nan 8.270 nan 0.000 0.426 287 V N -0.290 119.511 119.914 -0.187 0.000 2.626 287 V HA -0.235 3.932 4.120 0.079 0.000 0.252 287 V C 1.798 177.832 176.094 -0.100 0.000 1.067 287 V CA 1.153 63.308 62.300 -0.241 0.000 1.081 287 V CB -0.177 31.307 31.823 -0.564 0.000 0.686 287 V HN 0.460 nan 8.190 nan 0.000 0.468 288 C N 0.202 119.474 119.300 -0.046 0.000 2.673 288 C HA 0.276 4.783 4.460 0.079 0.000 0.274 288 C C 1.385 176.369 174.990 -0.009 0.000 1.276 288 C CA -0.540 58.479 59.018 0.002 0.000 1.701 288 C CB -1.030 26.731 27.740 0.034 0.000 1.836 288 C HN 0.642 nan 8.230 nan 0.000 0.596 289 M N -0.315 119.273 119.600 -0.020 0.000 2.461 289 M HA -0.141 4.386 4.480 0.079 0.000 0.203 289 M C 0.530 176.838 176.300 0.012 0.000 0.428 289 M CA 0.820 56.112 55.300 -0.014 0.000 0.509 289 M CB -2.399 30.181 32.600 -0.032 0.000 1.851 289 M HN 0.444 nan 8.290 nan 0.000 0.834 290 V N -4.100 115.833 119.914 0.031 0.000 3.070 290 V HA 0.202 4.369 4.120 0.079 0.000 0.345 290 V C 1.783 177.914 176.094 0.061 0.000 1.403 290 V CA 0.415 62.744 62.300 0.048 0.000 1.155 290 V CB -0.093 31.764 31.823 0.057 0.000 1.140 290 V HN 0.607 nan 8.190 nan 0.000 0.505 291 H N 3.236 122.288 119.070 -0.029 0.000 2.387 291 H HA -0.185 4.418 4.556 0.078 0.000 0.299 291 H C 1.869 177.216 175.328 0.030 0.000 1.099 291 H CA 2.539 58.562 56.048 -0.040 0.000 1.315 291 H CB 0.089 29.814 29.762 -0.062 0.000 1.380 291 H HN 0.750 nan 8.280 nan 0.000 0.513 292 D N 0.747 121.157 120.400 0.016 0.000 2.219 292 D HA -0.140 4.548 4.640 0.079 0.000 0.205 292 D C 1.895 178.177 176.300 -0.029 0.000 0.970 292 D CA 0.686 54.678 54.000 -0.014 0.000 0.851 292 D CB -0.615 40.209 40.800 0.039 0.000 0.943 292 D HN 0.451 nan 8.370 nan 0.000 0.488 293 L N -0.540 120.684 121.223 0.003 0.000 2.640 293 L HA 0.171 4.559 4.340 0.079 0.000 0.230 293 L C 2.276 179.176 176.870 0.051 0.000 1.123 293 L CA -0.296 54.557 54.840 0.023 0.000 0.900 293 L CB -0.539 41.543 42.059 0.037 0.000 1.146 293 L HN 0.079 nan 8.230 nan 0.000 0.484 294 H N 1.631 120.645 119.070 -0.093 0.000 2.357 294 H HA -0.169 4.434 4.556 0.078 0.000 0.296 294 H C 1.599 176.900 175.328 -0.045 0.000 1.108 294 H CA 1.340 57.343 56.048 -0.075 0.000 1.273 294 H CB 0.580 30.255 29.762 -0.144 0.000 1.367 294 H HN 0.171 nan 8.280 nan 0.000 0.498 295 K N -0.001 120.349 120.400 -0.084 0.000 2.288 295 K HA -0.053 4.314 4.320 0.079 0.000 0.201 295 K C 2.106 178.662 176.600 -0.073 0.000 1.048 295 K CA 1.282 57.496 56.287 -0.122 0.000 0.956 295 K CB -0.274 32.179 32.500 -0.078 0.000 0.746 295 K HN 0.507 nan 8.250 nan 0.000 0.461 296 T N -1.347 113.187 114.554 -0.034 0.000 3.113 296 T HA 0.125 4.522 4.350 0.079 0.000 0.256 296 T C 0.958 175.657 174.700 -0.002 0.000 1.131 296 T CA -0.124 61.968 62.100 -0.013 0.000 1.074 296 T CB -0.141 68.728 68.868 0.001 0.000 0.944 296 T HN -0.054 nan 8.240 nan 0.000 0.516 297 L N 3.934 125.155 121.223 -0.003 0.000 2.433 297 L HA 0.266 4.653 4.340 0.079 0.000 0.275 297 L C 1.103 177.983 176.870 0.017 0.000 1.128 297 L CA -0.537 54.319 54.840 0.027 0.000 0.875 297 L CB 0.287 42.384 42.059 0.063 0.000 1.171 297 L HN 0.395 nan 8.230 nan 0.000 0.463 298 T N 0.563 115.136 114.554 0.032 0.000 2.824 298 T HA 0.263 4.660 4.350 0.079 0.000 0.277 298 T C -1.765 172.961 174.700 0.044 0.000 0.975 298 T CA -1.739 60.378 62.100 0.029 0.000 0.966 298 T CB 1.073 69.959 68.868 0.030 0.000 1.054 298 T HN 0.283 nan 8.240 nan 0.000 0.533 299 P HA -0.099 nan 4.420 nan 0.000 0.216 299 P C 1.686 179.024 177.300 0.063 0.000 1.157 299 P CA 0.527 63.656 63.100 0.048 0.000 0.880 299 P CB -0.088 31.634 31.700 0.036 0.000 0.791 300 L N -0.554 120.704 121.223 0.059 0.000 2.046 300 L HA -0.081 4.306 4.340 0.079 0.000 0.208 300 L C 2.271 179.209 176.870 0.112 0.000 1.077 300 L CA 2.037 56.921 54.840 0.073 0.000 0.747 300 L CB -1.502 40.588 42.059 0.052 0.000 0.896 300 L HN -0.121 nan 8.230 nan 0.000 0.432 301 A N -1.818 121.065 122.820 0.106 0.000 1.972 301 A HA -0.163 4.204 4.320 0.079 0.000 0.219 301 A C 2.382 180.052 177.584 0.145 0.000 1.169 301 A CA 1.855 53.975 52.037 0.138 0.000 0.635 301 A CB -0.746 18.317 19.000 0.104 0.000 0.810 301 A HN 0.512 nan 8.150 nan 0.000 0.446 302 S N -0.117 115.653 115.700 0.118 0.000 2.368 302 S HA 0.005 4.522 4.470 0.079 0.000 0.224 302 S C 2.348 177.020 174.600 0.120 0.000 1.029 302 S CA 1.048 59.319 58.200 0.118 0.000 0.988 302 S CB -0.465 62.799 63.200 0.107 0.000 0.838 302 S HN 0.797 nan 8.310 nan 0.000 0.462 303 A N 0.587 123.481 122.820 0.124 0.000 1.908 303 A HA -0.170 4.197 4.320 0.079 0.000 0.218 303 A C 2.013 179.700 177.584 0.172 0.000 1.181 303 A CA 1.783 53.899 52.037 0.131 0.000 0.627 303 A CB -0.913 18.158 19.000 0.118 0.000 0.818 303 A HN 0.576 nan 8.150 nan 0.000 0.445 304 Y N 0.326 120.674 120.300 0.081 0.000 2.220 304 Y HA 0.084 4.680 4.550 0.077 0.000 0.291 304 Y C 2.678 178.636 175.900 0.097 0.000 1.129 304 Y CA 0.741 58.894 58.100 0.087 0.000 1.161 304 Y CB -0.702 37.803 38.460 0.076 0.000 0.997 304 Y HN 0.306 nan 8.280 nan 0.000 0.522 305 A N 0.745 123.528 122.820 -0.061 0.000 1.917 305 A HA -0.241 4.127 4.320 0.079 0.000 0.219 305 A C 2.342 179.881 177.584 -0.075 0.000 1.182 305 A CA 2.066 54.038 52.037 -0.108 0.000 0.633 305 A CB -0.632 18.387 19.000 0.033 0.000 0.819 305 A HN 0.525 nan 8.150 nan 0.000 0.448 306 R N -0.554 119.957 120.500 0.019 0.000 2.115 306 R HA -0.034 4.353 4.340 0.079 0.000 0.230 306 R C 2.462 178.792 176.300 0.050 0.000 1.111 306 R CA 1.375 57.526 56.100 0.085 0.000 0.976 306 R CB -0.276 30.095 30.300 0.118 0.000 0.870 306 R HN 0.525 nan 8.270 nan 0.000 0.445 307 S N 0.448 116.144 115.700 -0.006 0.000 2.357 307 S HA -0.062 4.456 4.470 0.079 0.000 0.221 307 S C 1.816 176.399 174.600 -0.028 0.000 1.031 307 S CA 0.720 58.935 58.200 0.024 0.000 0.982 307 S CB -0.090 63.185 63.200 0.126 0.000 0.853 307 S HN 0.272 nan 8.310 nan 0.000 0.458 308 R N 0.656 121.006 120.500 -0.249 0.000 2.237 308 R HA -0.038 4.349 4.340 0.079 0.000 0.219 308 R C 2.085 178.364 176.300 -0.034 0.000 1.080 308 R CA 0.919 56.901 56.100 -0.196 0.000 0.995 308 R CB -0.369 29.639 30.300 -0.487 0.000 0.875 308 R HN 0.454 nan 8.270 nan 0.000 0.462 309 G N -0.728 108.079 108.800 0.012 0.000 2.623 309 G HA2 -0.086 3.921 3.960 0.079 0.000 0.214 309 G HA3 -0.086 3.921 3.960 0.079 0.000 0.214 309 G C 1.328 176.399 174.900 0.285 0.000 1.138 309 G CA 0.485 45.667 45.100 0.137 0.000 0.794 309 G HN 0.360 nan 8.290 nan 0.000 0.535 310 A N 0.028 122.981 122.820 0.221 0.000 1.855 310 A HA 0.070 4.437 4.320 0.079 0.000 0.215 310 A C 1.080 178.822 177.584 0.264 0.000 1.191 310 A CA 1.463 53.636 52.037 0.226 0.000 0.613 310 A CB -0.000 19.026 19.000 0.044 0.000 0.829 310 A HN 0.265 nan 8.150 nan 0.000 0.442 311 D N -1.795 118.713 120.400 0.181 0.000 2.402 311 D HA 0.304 4.992 4.640 0.079 0.000 0.252 311 D C 0.765 177.153 176.300 0.147 0.000 1.294 311 D CA -0.505 53.596 54.000 0.169 0.000 0.948 311 D CB 0.642 41.524 40.800 0.138 0.000 1.202 311 D HN 0.047 nan 8.370 nan 0.000 0.561 312 R N 2.692 123.278 120.500 0.143 0.000 2.092 312 R HA -0.003 4.384 4.340 0.079 0.000 0.231 312 R C 1.878 178.263 176.300 0.141 0.000 1.119 312 R CA 0.699 56.871 56.100 0.120 0.000 0.970 312 R CB -0.031 30.324 30.300 0.093 0.000 0.864 312 R HN 0.542 nan 8.270 nan 0.000 0.440 313 M N 0.244 119.924 119.600 0.134 0.000 2.067 313 M HA -0.132 4.395 4.480 0.079 0.000 0.260 313 M C 2.188 178.589 176.300 0.168 0.000 1.069 313 M CA 1.697 57.075 55.300 0.132 0.000 1.117 313 M CB -0.296 32.362 32.600 0.097 0.000 1.334 313 M HN 0.021 nan 8.290 nan 0.000 0.407 314 S N 0.135 115.928 115.700 0.155 0.000 2.442 314 S HA -0.075 4.442 4.470 0.079 0.000 0.236 314 S C 1.837 176.555 174.600 0.196 0.000 1.007 314 S CA 1.155 59.455 58.200 0.166 0.000 0.965 314 S CB -0.167 63.113 63.200 0.134 0.000 0.773 314 S HN 0.398 nan 8.310 nan 0.000 0.504 315 S N 0.732 116.549 115.700 0.195 0.000 2.527 315 S HA 0.187 4.705 4.470 0.079 0.000 0.222 315 S C 0.409 175.141 174.600 0.220 0.000 0.985 315 S CA -0.338 57.979 58.200 0.195 0.000 0.921 315 S CB -0.273 63.021 63.200 0.156 0.000 0.772 315 S HN 0.569 nan 8.310 nan 0.000 0.529 316 F N 3.271 123.280 119.950 0.097 0.000 2.514 316 F HA 0.298 4.871 4.527 0.077 0.000 0.399 316 F C 1.265 177.124 175.800 0.099 0.000 1.011 316 F CA 0.649 58.702 58.000 0.088 0.000 1.109 316 F CB -0.431 38.614 39.000 0.075 0.000 0.980 316 F HN 0.280 nan 8.300 nan 0.000 0.538 317 G N 4.146 112.761 108.800 -0.308 0.000 2.198 317 G HA2 -0.293 3.714 3.960 0.079 0.000 0.257 317 G HA3 -0.293 3.714 3.960 0.079 0.000 0.257 317 G C -0.262 174.662 174.900 0.039 0.000 1.042 317 G CA 0.073 45.065 45.100 -0.181 0.000 0.791 317 G HN 1.074 nan 8.290 nan 0.000 0.502 318 D N -0.754 119.706 120.400 0.100 0.000 2.368 318 D HA 0.429 5.116 4.640 0.079 0.000 0.240 318 D C 0.032 176.446 176.300 0.190 0.000 1.169 318 D CA -0.758 53.356 54.000 0.189 0.000 0.906 318 D CB 0.762 41.707 40.800 0.242 0.000 1.187 318 D HN 0.075 nan 8.370 nan 0.000 0.435 319 F N 0.325 120.365 119.950 0.150 0.000 2.408 319 F HA 0.417 4.999 4.527 0.091 0.000 0.344 319 F C -0.212 175.669 175.800 0.136 0.000 1.112 319 F CA -0.958 57.101 58.000 0.099 0.000 1.096 319 F CB 0.689 39.720 39.000 0.051 0.000 1.129 319 F HN 0.213 nan 8.300 nan 0.000 0.486 320 I N 5.107 125.636 120.570 -0.068 0.000 2.392 320 I HA 0.568 4.785 4.170 0.079 0.000 0.295 320 I C -0.331 175.858 176.117 0.121 0.000 0.985 320 I CA -0.687 60.636 61.300 0.038 0.000 1.221 320 I CB 1.566 39.430 38.000 -0.227 0.000 1.366 320 I HN 0.675 nan 8.210 nan 0.000 0.467 321 A N 7.486 130.406 122.820 0.167 0.000 2.331 321 A HA 0.864 5.231 4.320 0.079 0.000 0.320 321 A C -0.904 176.755 177.584 0.125 0.000 1.138 321 A CA -0.502 51.639 52.037 0.174 0.000 0.790 321 A CB 0.837 19.929 19.000 0.152 0.000 1.206 321 A HN 0.667 nan 8.150 nan 0.000 0.470 322 L N 2.416 123.716 121.223 0.129 0.000 2.341 322 L HA 0.359 4.747 4.340 0.079 0.000 0.278 322 L C 1.426 178.369 176.870 0.122 0.000 1.005 322 L CA -0.461 54.428 54.840 0.080 0.000 0.818 322 L CB 2.159 44.224 42.059 0.009 0.000 1.259 322 L HN 0.906 nan 8.230 nan 0.000 0.418 323 S N -0.510 115.207 115.700 0.028 0.000 2.481 323 S HA 0.032 4.549 4.470 0.079 0.000 0.231 323 S C 0.340 174.966 174.600 0.043 0.000 0.996 323 S CA 0.353 58.529 58.200 -0.040 0.000 0.942 323 S CB -0.153 62.980 63.200 -0.113 0.000 0.768 323 S HN 0.640 nan 8.310 nan 0.000 0.520 324 D N 0.529 120.949 120.400 0.034 0.000 2.497 324 D HA 0.435 5.122 4.640 0.079 0.000 0.243 324 D C -0.146 176.130 176.300 -0.040 0.000 1.039 324 D CA -0.962 53.046 54.000 0.013 0.000 1.052 324 D CB 0.736 41.538 40.800 0.004 0.000 1.344 324 D HN -0.017 nan 8.370 nan 0.000 0.553 325 I N 1.089 121.625 120.570 -0.057 0.000 2.742 325 I HA -0.077 4.140 4.170 0.079 0.000 0.287 325 I C 1.059 177.111 176.117 -0.107 0.000 1.186 325 I CA -0.417 60.813 61.300 -0.117 0.000 1.417 325 I CB -0.947 37.017 38.000 -0.060 0.000 1.377 325 I HN 0.315 nan 8.210 nan 0.000 0.556 326 C N 8.657 127.843 119.300 -0.191 0.000 2.638 326 C HA 0.105 4.612 4.460 0.079 0.000 0.410 326 C C 0.652 175.649 174.990 0.011 0.000 1.404 326 C CA -0.467 58.507 59.018 -0.073 0.000 1.651 326 C CB -1.287 26.440 27.740 -0.021 0.000 2.495 326 C HN 0.891 nan 8.230 nan 0.000 0.606 327 D N 3.651 124.063 120.400 0.020 0.000 2.432 327 D HA 0.257 4.944 4.640 0.079 0.000 0.258 327 D C 1.083 177.406 176.300 0.039 0.000 1.146 327 D CA -0.214 53.804 54.000 0.029 0.000 1.015 327 D CB 0.674 41.488 40.800 0.023 0.000 1.107 327 D HN 0.386 nan 8.370 nan 0.000 0.529 328 V N -2.159 117.774 119.914 0.032 0.000 2.427 328 V HA -0.005 4.162 4.120 0.079 0.000 0.248 328 V C -1.029 175.081 176.094 0.027 0.000 1.051 328 V CA 1.095 63.411 62.300 0.027 0.000 1.048 328 V CB -1.577 30.257 31.823 0.018 0.000 0.666 328 V HN 0.532 nan 8.190 nan 0.000 0.456 329 P HA -0.094 nan 4.420 nan 0.000 0.218 329 P C 1.798 179.132 177.300 0.056 0.000 1.149 329 P CA 2.060 65.182 63.100 0.038 0.000 0.817 329 P CB -0.352 31.370 31.700 0.037 0.000 0.785 330 T N 0.198 114.788 114.554 0.061 0.000 2.777 330 T HA -0.057 4.340 4.350 0.079 0.000 0.266 330 T C 2.074 176.801 174.700 0.045 0.000 1.040 330 T CA 1.669 63.815 62.100 0.076 0.000 1.141 330 T CB -0.806 68.097 68.868 0.059 0.000 0.868 330 T HN 0.089 nan 8.240 nan 0.000 0.444 331 A N 1.618 124.455 122.820 0.028 0.000 1.969 331 A HA -0.075 4.293 4.320 0.079 0.000 0.218 331 A C 2.260 179.833 177.584 -0.018 0.000 1.169 331 A CA 1.295 53.331 52.037 -0.001 0.000 0.635 331 A CB -0.369 18.638 19.000 0.012 0.000 0.810 331 A HN 0.419 nan 8.150 nan 0.000 0.445 332 K N -0.357 120.046 120.400 0.005 0.000 2.057 332 K HA -0.052 4.316 4.320 0.079 0.000 0.206 332 K C 1.807 178.415 176.600 0.014 0.000 1.050 332 K CA 1.449 57.737 56.287 0.001 0.000 0.935 332 K CB -0.363 32.144 32.500 0.012 0.000 0.715 332 K HN 0.537 nan 8.250 nan 0.000 0.439 333 I N 1.149 121.753 120.570 0.057 0.000 2.099 333 I HA -0.321 3.897 4.170 0.079 0.000 0.239 333 I C 2.325 178.504 176.117 0.103 0.000 1.066 333 I CA 1.458 62.821 61.300 0.105 0.000 1.324 333 I CB -0.404 37.718 38.000 0.203 0.000 1.037 333 I HN 0.108 nan 8.210 nan 0.000 0.401 334 I N 0.135 120.748 120.570 0.073 0.000 2.208 334 I HA -0.352 3.865 4.170 0.079 0.000 0.245 334 I C 2.807 178.843 176.117 -0.136 0.000 1.097 334 I CA 1.495 62.776 61.300 -0.032 0.000 1.363 334 I CB -0.462 37.440 38.000 -0.163 0.000 1.051 334 I HN 0.240 nan 8.210 nan 0.000 0.413 335 S N 1.161 116.779 115.700 -0.137 0.000 2.380 335 S HA -0.241 4.276 4.470 0.079 0.000 0.229 335 S C 1.962 176.483 174.600 -0.132 0.000 1.043 335 S CA 1.933 60.032 58.200 -0.168 0.000 1.038 335 S CB -0.264 62.871 63.200 -0.109 0.000 0.872 335 S HN 0.553 nan 8.310 nan 0.000 0.456 336 R N -0.128 120.329 120.500 -0.072 0.000 2.359 336 R HA 0.309 4.696 4.340 0.079 0.000 0.231 336 R C -0.324 175.951 176.300 -0.041 0.000 0.913 336 R CA -0.150 55.919 56.100 -0.053 0.000 1.075 336 R CB 0.144 30.426 30.300 -0.030 0.000 1.087 336 R HN 0.261 nan 8.270 nan 0.000 0.515 337 E N 1.248 121.422 120.200 -0.043 0.000 2.221 337 E HA 0.229 4.626 4.350 0.079 0.000 0.268 337 E C -0.672 175.884 176.600 -0.073 0.000 0.933 337 E CA -1.132 55.256 56.400 -0.019 0.000 0.809 337 E CB 2.743 32.477 29.700 0.056 0.000 1.190 337 E HN -0.137 nan 8.360 nan 0.000 0.406 338 V N 2.004 121.855 119.914 -0.105 0.000 2.421 338 V HA 0.137 4.305 4.120 0.079 0.000 0.271 338 V C 0.398 176.370 176.094 -0.204 0.000 1.031 338 V CA 0.415 62.561 62.300 -0.258 0.000 1.032 338 V CB 0.355 31.800 31.823 -0.630 0.000 1.009 338 V HN 0.532 nan 8.190 nan 0.000 0.477 339 S N 2.716 118.355 115.700 -0.101 0.000 2.546 339 S HA 0.431 4.949 4.470 0.079 0.000 0.274 339 S C 0.272 174.952 174.600 0.134 0.000 1.121 339 S CA -0.624 57.598 58.200 0.038 0.000 0.887 339 S CB 2.071 65.339 63.200 0.113 0.000 1.094 339 S HN 0.763 nan 8.310 nan 0.000 0.474 340 D N 1.755 122.178 120.400 0.039 0.000 2.240 340 D HA 0.398 5.085 4.640 0.079 0.000 0.206 340 D C 0.770 176.876 176.300 -0.323 0.000 0.963 340 D CA 1.379 55.365 54.000 -0.023 0.000 0.863 340 D CB 0.431 41.276 40.800 0.074 0.000 0.973 340 D HN 0.764 nan 8.370 nan 0.000 0.501 341 G N -1.347 107.034 108.800 -0.699 0.000 2.349 341 G HA2 0.427 4.434 3.960 0.079 0.000 0.294 341 G HA3 0.427 4.434 3.960 0.079 0.000 0.294 341 G C -2.110 171.849 174.900 -1.568 0.000 1.380 341 G CA -0.329 43.925 45.100 -1.409 0.000 0.811 341 G HN 0.110 nan 8.290 nan 0.000 0.519 342 V N -0.928 118.236 119.914 -1.251 0.000 2.932 342 V HA 0.797 4.965 4.120 0.079 0.000 0.307 342 V C -1.314 174.731 176.094 -0.081 0.000 1.147 342 V CA -0.639 61.325 62.300 -0.560 0.000 0.951 342 V CB 1.813 33.578 31.823 -0.097 0.000 1.031 342 V HN 1.445 nan 8.190 nan 0.000 0.426 343 V N 5.947 125.962 119.914 0.169 0.000 2.656 343 V HA 1.042 5.209 4.120 0.079 0.000 0.307 343 V C -0.185 175.985 176.094 0.127 0.000 1.051 343 V CA 0.451 62.880 62.300 0.216 0.000 0.893 343 V CB 1.651 33.618 31.823 0.239 0.000 0.999 343 V HN 1.799 nan 8.190 nan 0.000 0.426 344 A N 6.780 129.582 122.820 -0.030 0.000 2.604 344 A HA 0.827 5.194 4.320 0.079 0.000 0.295 344 A C -2.679 174.728 177.584 -0.296 0.000 1.067 344 A CA -0.855 51.070 52.037 -0.187 0.000 0.683 344 A CB 1.802 20.425 19.000 -0.629 0.000 1.281 344 A HN 0.530 nan 8.150 nan 0.000 0.407 345 P HA 0.108 nan 4.420 nan 0.000 0.222 345 P C 0.791 177.993 177.300 -0.164 0.000 1.147 345 P CA 1.858 64.869 63.100 -0.150 0.000 0.790 345 P CB 0.343 32.082 31.700 0.066 0.000 0.780 346 G N -1.863 106.762 108.800 -0.291 0.000 2.506 346 G HA2 0.513 4.521 3.960 0.079 0.000 0.292 346 G HA3 0.513 4.521 3.960 0.079 0.000 0.292 346 G C -2.307 172.290 174.900 -0.504 0.000 1.425 346 G CA -0.585 44.379 45.100 -0.226 0.000 0.788 346 G HN -0.115 nan 8.290 nan 0.000 0.490 347 Y N 0.131 120.425 120.300 -0.010 0.000 2.421 347 Y HA 0.454 5.050 4.550 0.077 0.000 0.339 347 Y C 0.360 176.256 175.900 -0.006 0.000 0.996 347 Y CA -0.859 57.237 58.100 -0.008 0.000 1.046 347 Y CB 2.125 40.577 38.460 -0.014 0.000 1.226 347 Y HN 0.538 nan 8.280 nan 0.000 0.445 348 E N 1.762 122.033 120.200 0.119 0.000 2.413 348 E HA -0.049 4.349 4.350 0.079 0.000 0.263 348 E C 0.583 177.231 176.600 0.080 0.000 1.015 348 E CA 0.073 56.518 56.400 0.075 0.000 0.916 348 E CB 0.849 30.578 29.700 0.048 0.000 0.947 348 E HN 0.777 nan 8.360 nan 0.000 0.440 349 E N 2.003 122.233 120.200 0.051 0.000 2.114 349 E HA -0.273 4.124 4.350 0.079 0.000 0.199 349 E C 1.416 178.030 176.600 0.024 0.000 1.008 349 E CA 1.355 57.776 56.400 0.033 0.000 0.810 349 E CB 0.236 29.948 29.700 0.020 0.000 0.739 349 E HN 0.404 nan 8.360 nan 0.000 0.456 350 E N -0.224 119.990 120.200 0.024 0.000 2.047 350 E HA -0.162 4.235 4.350 0.079 0.000 0.191 350 E C 2.014 178.625 176.600 0.018 0.000 0.987 350 E CA 1.022 57.431 56.400 0.015 0.000 0.799 350 E CB -0.401 29.306 29.700 0.013 0.000 0.752 350 E HN 0.332 nan 8.360 nan 0.000 0.449 351 A N 1.694 124.538 122.820 0.040 0.000 1.883 351 A HA -0.164 4.204 4.320 0.079 0.000 0.217 351 A C 2.351 179.961 177.584 0.043 0.000 1.186 351 A CA 1.219 53.289 52.037 0.055 0.000 0.624 351 A CB -0.845 18.216 19.000 0.101 0.000 0.822 351 A HN 0.254 nan 8.150 nan 0.000 0.444 352 L N -0.750 120.500 121.223 0.046 0.000 2.042 352 L HA -0.241 4.147 4.340 0.079 0.000 0.210 352 L C 2.562 179.399 176.870 -0.055 0.000 1.076 352 L CA 2.055 56.871 54.840 -0.040 0.000 0.749 352 L CB -0.348 41.694 42.059 -0.029 0.000 0.893 352 L HN 0.425 nan 8.230 nan 0.000 0.432 353 K N -0.470 119.913 120.400 -0.028 0.000 2.103 353 K HA -0.196 4.171 4.320 0.079 0.000 0.207 353 K C 1.901 178.478 176.600 -0.040 0.000 1.048 353 K CA 1.193 57.461 56.287 -0.032 0.000 0.930 353 K CB -0.000 32.488 32.500 -0.019 0.000 0.716 353 K HN 0.261 nan 8.250 nan 0.000 0.444 354 I N 0.986 121.532 120.570 -0.039 0.000 2.286 354 I HA -0.186 4.031 4.170 0.079 0.000 0.245 354 I C 2.123 178.187 176.117 -0.089 0.000 1.104 354 I CA 1.317 62.584 61.300 -0.055 0.000 1.397 354 I CB -0.988 36.986 38.000 -0.045 0.000 1.072 354 I HN 0.149 nan 8.210 nan 0.000 0.417 355 L N 0.189 121.361 121.223 -0.085 0.000 2.141 355 L HA -0.111 4.276 4.340 0.079 0.000 0.209 355 L C 1.785 178.629 176.870 -0.045 0.000 1.094 355 L CA 0.913 55.692 54.840 -0.103 0.000 0.763 355 L CB -0.458 41.571 42.059 -0.049 0.000 0.908 355 L HN 0.113 nan 8.230 nan 0.000 0.437 356 S N -0.748 114.922 115.700 -0.050 0.000 2.679 356 S HA 0.088 4.605 4.470 0.079 0.000 0.233 356 S C 1.292 175.873 174.600 -0.031 0.000 0.951 356 S CA 0.087 58.269 58.200 -0.031 0.000 0.973 356 S CB 0.052 63.219 63.200 -0.056 0.000 0.778 356 S HN 0.323 nan 8.310 nan 0.000 0.477 357 K N 0.808 121.179 120.400 -0.049 0.000 2.399 357 K HA 0.183 4.550 4.320 0.079 0.000 0.196 357 K C 0.226 176.791 176.600 -0.059 0.000 1.103 357 K CA 0.074 56.331 56.287 -0.048 0.000 0.986 357 K CB 0.409 32.877 32.500 -0.055 0.000 0.952 357 K HN 0.178 nan 8.250 nan 0.000 0.541 358 K N 1.866 122.205 120.400 -0.101 0.000 2.469 358 K HA -0.002 4.365 4.320 0.079 0.000 0.274 358 K C -0.306 176.280 176.600 -0.024 0.000 0.983 358 K CA 0.563 56.765 56.287 -0.142 0.000 0.974 358 K CB 0.323 32.571 32.500 -0.419 0.000 0.913 358 K HN -0.003 nan 8.250 nan 0.000 0.493 359 K N 2.186 122.574 120.400 -0.020 0.000 3.257 359 K HA -0.292 4.075 4.320 0.079 0.000 0.270 359 K C -0.528 176.081 176.600 0.016 0.000 0.984 359 K CA 0.572 56.873 56.287 0.022 0.000 0.739 359 K CB -1.436 31.113 32.500 0.080 0.000 1.351 359 K HN 0.846 nan 8.250 nan 0.000 0.463 360 N N -0.276 118.422 118.700 -0.003 0.000 2.686 360 N HA -0.234 4.554 4.740 0.079 0.000 0.261 360 N C 0.668 176.178 175.510 0.000 0.000 1.001 360 N CA 2.119 55.167 53.050 -0.004 0.000 0.764 360 N CB -1.092 37.396 38.487 0.001 0.000 0.898 360 N HN 0.871 nan 8.380 nan 0.000 0.544 361 G N -2.004 106.796 108.800 -0.001 0.000 2.143 361 G HA2 -0.196 3.812 3.960 0.079 0.000 0.249 361 G HA3 -0.196 3.812 3.960 0.079 0.000 0.249 361 G C 0.786 175.691 174.900 0.009 0.000 0.981 361 G CA 0.422 45.521 45.100 -0.001 0.000 0.665 361 G HN 1.139 nan 8.290 nan 0.000 0.528 362 G N -1.057 107.760 108.800 0.029 0.000 3.228 362 G HA2 0.403 4.410 3.960 0.079 0.000 0.245 362 G HA3 0.403 4.410 3.960 0.079 0.000 0.245 362 G C 0.327 175.253 174.900 0.043 0.000 1.051 362 G CA 0.076 45.190 45.100 0.023 0.000 0.809 362 G HN 0.564 nan 8.290 nan 0.000 0.531 363 Y N 1.374 121.628 120.300 -0.076 0.000 2.632 363 Y HA 0.232 4.831 4.550 0.081 0.000 0.329 363 Y C 0.919 176.753 175.900 -0.110 0.000 1.174 363 Y CA -1.337 56.704 58.100 -0.098 0.000 1.469 363 Y CB 0.341 38.730 38.460 -0.118 0.000 1.242 363 Y HN 0.082 nan 8.280 nan 0.000 0.540 364 C N 7.919 126.886 119.300 -0.556 0.000 2.657 364 C HA 0.481 4.988 4.460 0.079 0.000 0.404 364 C C -0.470 174.189 174.990 -0.551 0.000 1.369 364 C CA -0.538 58.220 59.018 -0.433 0.000 1.665 364 C CB -2.216 25.349 27.740 -0.292 0.000 2.453 364 C HN 0.602 nan 8.230 nan 0.000 0.599 365 V N 8.676 128.406 119.914 -0.306 0.000 2.443 365 V HA 0.480 4.647 4.120 0.079 0.000 0.293 365 V C -0.044 175.952 176.094 -0.163 0.000 1.021 365 V CA -0.309 61.819 62.300 -0.287 0.000 0.848 365 V CB 1.354 32.951 31.823 -0.377 0.000 0.998 365 V HN 0.782 nan 8.190 nan 0.000 0.424 366 L N 4.177 125.387 121.223 -0.022 0.000 2.342 366 L HA 0.695 5.082 4.340 0.079 0.000 0.271 366 L C -0.455 176.492 176.870 0.130 0.000 1.008 366 L CA -0.558 54.301 54.840 0.032 0.000 0.818 366 L CB 2.237 44.329 42.059 0.055 0.000 1.296 366 L HN 0.636 nan 8.230 nan 0.000 0.427 367 Q N 2.691 122.507 119.800 0.028 0.000 2.310 367 Q HA 0.520 4.907 4.340 0.079 0.000 0.270 367 Q C -1.394 174.478 176.000 -0.213 0.000 1.025 367 Q CA -0.771 55.030 55.803 -0.004 0.000 0.772 367 Q CB 2.282 31.072 28.738 0.087 0.000 1.253 367 Q HN 0.573 nan 8.270 nan 0.000 0.450 368 M N 3.599 122.947 119.600 -0.419 0.000 2.268 368 M HA 0.284 4.811 4.480 0.079 0.000 0.344 368 M C -1.052 174.964 176.300 -0.473 0.000 1.106 368 M CA -0.448 54.468 55.300 -0.641 0.000 1.010 368 M CB 1.392 33.170 32.600 -1.370 0.000 1.649 368 M HN 0.566 nan 8.290 nan 0.000 0.443 369 D N 6.601 126.823 120.400 -0.297 0.000 2.412 369 D HA 0.099 4.786 4.640 0.079 0.000 0.257 369 D C -1.713 174.582 176.300 -0.008 0.000 1.217 369 D CA -1.485 52.447 54.000 -0.113 0.000 0.897 369 D CB 1.066 41.839 40.800 -0.046 0.000 1.132 369 D HN 0.423 nan 8.370 nan 0.000 0.493 370 P HA -0.076 nan 4.420 nan 0.000 0.226 370 P C 0.146 177.603 177.300 0.261 0.000 1.153 370 P CA 0.643 63.920 63.100 0.295 0.000 0.777 370 P CB 0.429 32.261 31.700 0.220 0.000 0.794 371 N N -1.769 117.035 118.700 0.174 0.000 2.205 371 N HA 0.007 4.795 4.740 0.079 0.000 0.201 371 N C 0.215 175.805 175.510 0.133 0.000 1.128 371 N CA -0.343 52.783 53.050 0.127 0.000 0.867 371 N CB -0.263 38.271 38.487 0.079 0.000 0.996 371 N HN 0.242 nan 8.380 nan 0.000 0.503 372 Y N 2.342 122.678 120.300 0.061 0.000 2.511 372 Y HA 0.149 4.742 4.550 0.072 0.000 0.332 372 Y C -0.274 175.669 175.900 0.072 0.000 1.177 372 Y CA 0.100 58.227 58.100 0.044 0.000 1.422 372 Y CB 0.483 38.948 38.460 0.009 0.000 1.271 372 Y HN -0.078 nan 8.280 nan 0.000 0.550 373 E N 7.759 127.497 120.200 -0.769 0.000 2.275 373 E HA 0.343 4.740 4.350 0.079 0.000 0.270 373 E C -2.587 173.505 176.600 -0.847 0.000 0.882 373 E CA -2.270 53.773 56.400 -0.596 0.000 0.758 373 E CB 1.615 31.164 29.700 -0.251 0.000 1.195 373 E HN 0.485 nan 8.360 nan 0.000 0.419 374 P HA 0.147 nan 4.420 nan 0.000 0.276 374 P C -0.660 176.555 177.300 -0.141 0.000 1.244 374 P CA -0.493 62.429 63.100 -0.296 0.000 0.801 374 P CB 0.733 32.405 31.700 -0.047 0.000 1.006 375 D N 0.942 121.308 120.400 -0.056 0.000 2.400 375 D HA -0.027 4.660 4.640 0.079 0.000 0.238 375 D C 1.089 177.382 176.300 -0.011 0.000 1.157 375 D CA 0.205 54.191 54.000 -0.024 0.000 0.889 375 D CB 0.449 41.253 40.800 0.007 0.000 1.199 375 D HN 0.316 nan 8.370 nan 0.000 0.436 376 D N 0.177 120.572 120.400 -0.009 0.000 2.149 376 D HA -0.070 4.617 4.640 0.079 0.000 0.201 376 D C 0.279 176.586 176.300 0.011 0.000 0.972 376 D CA 0.894 54.893 54.000 -0.002 0.000 0.835 376 D CB 0.123 40.919 40.800 -0.006 0.000 0.966 376 D HN 0.283 nan 8.370 nan 0.000 0.476 377 N N 1.536 120.244 118.700 0.014 0.000 2.524 377 N HA 0.205 4.992 4.740 0.079 0.000 0.283 377 N C -0.107 175.420 175.510 0.029 0.000 1.142 377 N CA -0.031 53.031 53.050 0.021 0.000 0.984 377 N CB 1.444 39.942 38.487 0.018 0.000 1.155 377 N HN 0.234 nan 8.380 nan 0.000 0.467 378 E N 0.531 120.752 120.200 0.035 0.000 2.314 378 E HA 0.593 4.990 4.350 0.079 0.000 0.272 378 E C -1.027 175.597 176.600 0.040 0.000 0.884 378 E CA -0.702 55.721 56.400 0.039 0.000 0.753 378 E CB 1.573 31.302 29.700 0.049 0.000 1.213 378 E HN 0.368 nan 8.360 nan 0.000 0.432 379 I N 1.784 122.377 120.570 0.038 0.000 2.530 379 I HA 0.527 4.744 4.170 0.079 0.000 0.297 379 I C -0.435 175.709 176.117 0.046 0.000 1.011 379 I CA -1.132 60.194 61.300 0.042 0.000 1.107 379 I CB 1.843 39.869 38.000 0.044 0.000 1.285 379 I HN 0.485 nan 8.210 nan 0.000 0.436 380 R N 2.891 123.422 120.500 0.052 0.000 2.628 380 R HA 0.573 4.960 4.340 0.079 0.000 0.288 380 R C -1.160 175.177 176.300 0.063 0.000 0.980 380 R CA -0.822 55.313 56.100 0.060 0.000 0.891 380 R CB 1.733 32.070 30.300 0.061 0.000 1.188 380 R HN 0.395 nan 8.270 nan 0.000 0.450 381 T N 3.411 118.007 114.554 0.070 0.000 2.780 381 T HA 0.319 4.716 4.350 0.079 0.000 0.294 381 T C -0.442 174.306 174.700 0.080 0.000 0.949 381 T CA -0.292 61.850 62.100 0.070 0.000 1.074 381 T CB 0.435 69.344 68.868 0.068 0.000 0.910 381 T HN 0.255 nan 8.240 nan 0.000 0.501 382 L N 4.712 125.987 121.223 0.088 0.000 2.372 382 L HA 0.333 4.720 4.340 0.079 0.000 0.274 382 L C -0.611 176.375 176.870 0.193 0.000 0.988 382 L CA -0.911 53.998 54.840 0.115 0.000 0.833 382 L CB 0.919 43.031 42.059 0.087 0.000 1.236 382 L HN 0.815 nan 8.230 nan 0.000 0.410 383 Y N 4.554 124.863 120.300 0.014 0.000 3.589 383 Y HA -0.287 4.304 4.550 0.067 0.000 0.218 383 Y C 1.048 176.956 175.900 0.014 0.000 1.234 383 Y CA 1.231 59.337 58.100 0.011 0.000 1.576 383 Y CB -1.135 37.329 38.460 0.006 0.000 1.487 383 Y HN 0.912 nan 8.280 nan 0.000 0.616 384 G N -0.946 107.840 108.800 -0.023 0.000 2.199 384 G HA2 -0.296 3.711 3.960 0.079 0.000 0.254 384 G HA3 -0.296 3.711 3.960 0.079 0.000 0.254 384 G C 0.180 175.064 174.900 -0.026 0.000 0.982 384 G CA 0.177 45.232 45.100 -0.076 0.000 0.632 384 G HN 0.638 nan 8.290 nan 0.000 0.529 385 L N -0.337 120.897 121.223 0.019 0.000 2.334 385 L HA 0.741 5.128 4.340 0.079 0.000 0.270 385 L C 0.144 177.041 176.870 0.045 0.000 1.018 385 L CA -1.127 53.732 54.840 0.032 0.000 0.811 385 L CB 1.529 43.618 42.059 0.051 0.000 1.271 385 L HN -0.024 nan 8.230 nan 0.000 0.443 386 Q N 2.019 121.844 119.800 0.041 0.000 2.340 386 Q HA 0.530 4.917 4.340 0.079 0.000 0.259 386 Q C -1.079 174.947 176.000 0.044 0.000 0.964 386 Q CA 0.079 55.909 55.803 0.044 0.000 0.900 386 Q CB 1.716 30.479 28.738 0.041 0.000 1.228 386 Q HN 0.402 nan 8.270 nan 0.000 0.449 387 L N 3.138 124.389 121.223 0.047 0.000 2.264 387 L HA 0.554 4.941 4.340 0.079 0.000 0.289 387 L C -0.462 176.434 176.870 0.043 0.000 1.044 387 L CA -0.354 54.512 54.840 0.044 0.000 0.807 387 L CB 0.977 43.063 42.059 0.045 0.000 1.192 387 L HN 0.519 nan 8.230 nan 0.000 0.425 388 M N 4.974 124.598 119.600 0.039 0.000 2.383 388 M HA 0.460 4.987 4.480 0.079 0.000 0.325 388 M C -1.184 175.137 176.300 0.036 0.000 1.092 388 M CA -0.297 55.025 55.300 0.037 0.000 0.961 388 M CB 1.853 34.472 32.600 0.032 0.000 1.672 388 M HN 0.678 nan 8.290 nan 0.000 0.438 389 Q N 2.417 122.239 119.800 0.037 0.000 2.462 389 Q HA 0.488 4.875 4.340 0.079 0.000 0.285 389 Q C -1.587 174.432 176.000 0.031 0.000 1.035 389 Q CA -1.292 54.532 55.803 0.035 0.000 0.799 389 Q CB 1.620 30.385 28.738 0.044 0.000 1.452 389 Q HN 0.613 nan 8.270 nan 0.000 0.404 390 K N 1.566 121.981 120.400 0.024 0.000 2.401 390 K HA 0.125 4.492 4.320 0.079 0.000 0.278 390 K C -0.129 176.487 176.600 0.027 0.000 1.018 390 K CA -0.276 56.023 56.287 0.020 0.000 0.981 390 K CB 0.681 33.186 32.500 0.010 0.000 0.933 390 K HN 0.703 nan 8.250 nan 0.000 0.477 391 R N 2.562 123.081 120.500 0.031 0.000 2.726 391 R HA 0.094 4.481 4.340 0.079 0.000 0.272 391 R C -0.275 176.043 176.300 0.031 0.000 1.097 391 R CA -0.626 55.501 56.100 0.045 0.000 1.198 391 R CB 0.153 30.486 30.300 0.055 0.000 1.114 391 R HN 0.543 nan 8.270 nan 0.000 0.550 392 N N 0.824 119.546 118.700 0.037 0.000 2.448 392 N HA 0.029 4.816 4.740 0.079 0.000 0.250 392 N C -0.933 174.572 175.510 -0.009 0.000 1.136 392 N CA -0.138 52.910 53.050 -0.003 0.000 0.953 392 N CB 0.187 38.653 38.487 -0.037 0.000 1.251 392 N HN 0.498 nan 8.380 nan 0.000 0.502 393 N N 1.199 119.891 118.700 -0.014 0.000 2.251 393 N HA 0.113 4.900 4.740 0.079 0.000 0.217 393 N C -0.390 175.100 175.510 -0.033 0.000 1.124 393 N CA -0.152 52.890 53.050 -0.014 0.000 0.843 393 N CB 0.397 38.876 38.487 -0.014 0.000 1.024 393 N HN 0.502 nan 8.380 nan 0.000 0.501 394 A N 0.677 123.465 122.820 -0.053 0.000 2.522 394 A HA 0.193 4.560 4.320 0.079 0.000 0.256 394 A C 0.443 177.987 177.584 -0.067 0.000 1.086 394 A CA -0.054 51.941 52.037 -0.069 0.000 0.763 394 A CB 0.113 19.059 19.000 -0.090 0.000 1.024 394 A HN 0.018 nan 8.150 nan 0.000 0.502 395 V N 4.951 124.825 119.914 -0.067 0.000 2.488 395 V HA 0.142 4.309 4.120 0.079 0.000 0.277 395 V C 0.267 176.306 176.094 -0.092 0.000 1.046 395 V CA -0.297 61.964 62.300 -0.065 0.000 0.986 395 V CB 0.898 32.684 31.823 -0.062 0.000 0.989 395 V HN 0.635 nan 8.190 nan 0.000 0.475 396 I N 5.974 126.493 120.570 -0.084 0.000 2.297 396 I HA 0.485 4.702 4.170 0.079 0.000 0.291 396 I C -0.276 175.769 176.117 -0.120 0.000 1.033 396 I CA -0.196 61.033 61.300 -0.118 0.000 1.253 396 I CB 0.910 38.866 38.000 -0.073 0.000 1.396 396 I HN 0.786 nan 8.210 nan 0.000 0.476 397 D N 5.259 125.539 120.400 -0.199 0.000 2.664 397 D HA 0.350 5.037 4.640 0.079 0.000 0.292 397 D C 0.687 176.814 176.300 -0.290 0.000 1.214 397 D CA -0.847 53.056 54.000 -0.161 0.000 0.932 397 D CB 0.749 41.486 40.800 -0.106 0.000 1.420 397 D HN 0.242 nan 8.370 nan 0.000 0.471 398 R N -0.140 120.288 120.500 -0.120 0.000 2.154 398 R HA -0.091 4.296 4.340 0.079 0.000 0.248 398 R C 1.677 177.887 176.300 -0.150 0.000 1.155 398 R CA 1.579 57.661 56.100 -0.029 0.000 0.979 398 R CB -0.642 29.692 30.300 0.057 0.000 0.869 398 R HN 0.315 nan 8.270 nan 0.000 0.452 399 S N 1.173 116.773 115.700 -0.167 0.000 2.469 399 S HA -0.070 4.448 4.470 0.079 0.000 0.238 399 S C 1.683 176.155 174.600 -0.213 0.000 0.998 399 S CA 0.630 58.746 58.200 -0.140 0.000 0.957 399 S CB -0.134 63.003 63.200 -0.105 0.000 0.764 399 S HN 0.173 nan 8.310 nan 0.000 0.514 400 L N 0.557 121.522 121.223 -0.432 0.000 2.201 400 L HA 0.109 4.496 4.340 0.079 0.000 0.212 400 L C 0.753 177.395 176.870 -0.380 0.000 1.105 400 L CA 1.573 56.116 54.840 -0.495 0.000 0.775 400 L CB -0.447 41.173 42.059 -0.732 0.000 0.913 400 L HN 0.209 nan 8.230 nan 0.000 0.440 401 F N -1.181 118.759 119.950 -0.017 0.000 2.664 401 F HA 0.191 4.765 4.527 0.078 0.000 0.301 401 F C 1.812 177.607 175.800 -0.008 0.000 1.126 401 F CA -0.332 57.661 58.000 -0.012 0.000 1.373 401 F CB -0.797 38.189 39.000 -0.024 0.000 1.042 401 F HN -0.060 nan 8.300 nan 0.000 0.535 402 K N 0.156 120.610 120.400 0.090 0.000 2.148 402 K HA -0.120 4.247 4.320 0.079 0.000 0.204 402 K C 0.705 177.342 176.600 0.061 0.000 1.050 402 K CA 0.657 56.980 56.287 0.059 0.000 0.942 402 K CB -0.326 32.183 32.500 0.016 0.000 0.724 402 K HN 0.150 nan 8.250 nan 0.000 0.446 403 N N 1.436 120.179 118.700 0.071 0.000 3.298 403 N HA 0.116 4.903 4.740 0.079 0.000 0.292 403 N C -0.867 174.687 175.510 0.072 0.000 1.271 403 N CA -0.073 53.016 53.050 0.065 0.000 1.184 403 N CB -0.488 38.039 38.487 0.068 0.000 1.452 403 N HN 0.017 nan 8.380 nan 0.000 0.534 404 I N 1.336 121.940 120.570 0.057 0.000 2.517 404 I HA -0.060 4.157 4.170 0.079 0.000 0.285 404 I C 1.502 177.623 176.117 0.005 0.000 1.106 404 I CA -0.259 61.062 61.300 0.036 0.000 1.402 404 I CB 0.865 38.886 38.000 0.035 0.000 1.399 404 I HN 0.210 nan 8.210 nan 0.000 0.535 405 V N 1.479 121.373 119.914 -0.034 0.000 3.565 405 V HA 0.075 4.243 4.120 0.079 0.000 0.260 405 V C 0.977 177.033 176.094 -0.064 0.000 1.231 405 V CA 0.144 62.404 62.300 -0.067 0.000 1.100 405 V CB -0.453 31.274 31.823 -0.160 0.000 0.807 405 V HN 0.775 nan 8.190 nan 0.000 0.454 406 T N -1.429 113.093 114.554 -0.053 0.000 2.904 406 T HA 0.347 4.744 4.350 0.079 0.000 0.290 406 T C 0.812 175.499 174.700 -0.020 0.000 1.018 406 T CA -0.243 61.834 62.100 -0.039 0.000 1.075 406 T CB 1.655 70.502 68.868 -0.035 0.000 0.986 406 T HN 0.355 nan 8.240 nan 0.000 0.523 407 K N 0.997 121.386 120.400 -0.018 0.000 2.032 407 K HA -0.113 4.254 4.320 0.079 0.000 0.209 407 K C 1.080 177.676 176.600 -0.007 0.000 1.048 407 K CA 0.964 57.244 56.287 -0.011 0.000 0.927 407 K CB -0.364 32.129 32.500 -0.012 0.000 0.712 407 K HN 0.530 nan 8.250 nan 0.000 0.441 408 N N 1.917 120.612 118.700 -0.009 0.000 2.365 408 N HA -0.085 4.702 4.740 0.079 0.000 0.265 408 N C -0.158 175.359 175.510 0.012 0.000 1.288 408 N CA 0.756 53.804 53.050 -0.002 0.000 0.869 408 N CB 0.492 38.971 38.487 -0.013 0.000 1.071 408 N HN 0.095 nan 8.380 nan 0.000 0.480 409 K N 1.328 121.741 120.400 0.021 0.000 2.413 409 K HA 0.101 4.468 4.320 0.079 0.000 0.204 409 K C -0.289 176.337 176.600 0.044 0.000 1.041 409 K CA -0.118 56.187 56.287 0.028 0.000 1.082 409 K CB 0.394 32.904 32.500 0.017 0.000 0.871 409 K HN 0.452 nan 8.250 nan 0.000 0.535 410 T N 2.506 117.101 114.554 0.068 0.000 2.792 410 T HA 0.001 4.399 4.350 0.079 0.000 0.286 410 T C -0.072 174.706 174.700 0.130 0.000 0.970 410 T CA 0.558 62.721 62.100 0.106 0.000 1.187 410 T CB 0.380 69.341 68.868 0.154 0.000 0.915 410 T HN 0.051 nan 8.240 nan 0.000 0.529 411 L N 6.505 127.730 121.223 0.002 0.000 2.420 411 L HA 0.280 4.667 4.340 0.079 0.000 0.260 411 L C -2.177 174.569 176.870 -0.206 0.000 1.508 411 L CA -1.290 53.455 54.840 -0.159 0.000 0.835 411 L CB 1.327 43.320 42.059 -0.110 0.000 1.018 411 L HN 0.499 nan 8.230 nan 0.000 0.520 412 P HA 0.194 nan 4.420 nan 0.000 0.275 412 P C 0.563 177.733 177.300 -0.216 0.000 1.266 412 P CA -0.227 62.761 63.100 -0.186 0.000 0.793 412 P CB 1.372 32.981 31.700 -0.150 0.000 1.074 413 E N 0.025 120.145 120.200 -0.133 0.000 2.150 413 E HA -0.118 4.280 4.350 0.079 0.000 0.193 413 E C 1.946 178.468 176.600 -0.129 0.000 0.985 413 E CA 1.571 57.906 56.400 -0.109 0.000 0.814 413 E CB -0.707 28.959 29.700 -0.058 0.000 0.752 413 E HN 0.590 nan 8.360 nan 0.000 0.466 414 S N 0.932 116.551 115.700 -0.134 0.000 2.383 414 S HA -0.111 4.406 4.470 0.079 0.000 0.229 414 S C 2.208 176.674 174.600 -0.224 0.000 1.030 414 S CA 1.259 59.382 58.200 -0.128 0.000 1.002 414 S CB -0.188 62.961 63.200 -0.084 0.000 0.829 414 S HN 0.242 nan 8.310 nan 0.000 0.467 415 A N 1.486 124.056 122.820 -0.417 0.000 1.872 415 A HA 0.132 4.499 4.320 0.079 0.000 0.214 415 A C 2.456 179.731 177.584 -0.516 0.000 1.187 415 A CA 1.449 53.069 52.037 -0.695 0.000 0.614 415 A CB -1.188 16.946 19.000 -1.444 0.000 0.826 415 A HN 0.449 nan 8.150 nan 0.000 0.442 416 V N 0.460 120.120 119.914 -0.425 0.000 2.332 416 V HA -0.292 3.875 4.120 0.079 0.000 0.248 416 V C 2.714 178.718 176.094 -0.150 0.000 1.055 416 V CA 2.413 64.512 62.300 -0.335 0.000 1.038 416 V CB -0.814 30.941 31.823 -0.114 0.000 0.651 416 V HN 0.660 nan 8.190 nan 0.000 0.450 417 R N -0.039 120.395 120.500 -0.110 0.000 2.073 417 R HA -0.179 4.208 4.340 0.079 0.000 0.234 417 R C 1.997 178.274 176.300 -0.039 0.000 1.134 417 R CA 2.128 58.204 56.100 -0.040 0.000 0.952 417 R CB -0.372 29.906 30.300 -0.037 0.000 0.850 417 R HN 0.519 nan 8.270 nan 0.000 0.433 418 D N 0.673 121.020 120.400 -0.088 0.000 2.149 418 D HA -0.111 4.576 4.640 0.079 0.000 0.201 418 D C 2.049 178.315 176.300 -0.056 0.000 0.972 418 D CA 0.847 54.810 54.000 -0.062 0.000 0.835 418 D CB -0.162 40.600 40.800 -0.062 0.000 0.966 418 D HN 0.268 nan 8.370 nan 0.000 0.476 419 L N 0.367 121.506 121.223 -0.139 0.000 2.083 419 L HA -0.094 4.293 4.340 0.079 0.000 0.209 419 L C 2.427 179.376 176.870 0.131 0.000 1.083 419 L CA 0.608 55.375 54.840 -0.122 0.000 0.752 419 L CB -0.206 41.512 42.059 -0.568 0.000 0.899 419 L HN 0.003 nan 8.230 nan 0.000 0.433 420 I N -1.101 119.581 120.570 0.187 0.000 2.252 420 I HA -0.237 3.980 4.170 0.079 0.000 0.245 420 I C 2.382 178.567 176.117 0.112 0.000 1.102 420 I CA 0.846 62.283 61.300 0.228 0.000 1.385 420 I CB -0.095 38.020 38.000 0.192 0.000 1.064 420 I HN -0.010 nan 8.210 nan 0.000 0.414 421 V N 0.889 120.844 119.914 0.068 0.000 2.358 421 V HA -0.279 3.888 4.120 0.079 0.000 0.246 421 V C 2.658 178.785 176.094 0.054 0.000 1.047 421 V CA 1.968 64.298 62.300 0.051 0.000 1.035 421 V CB -0.923 30.918 31.823 0.030 0.000 0.658 421 V HN 0.486 nan 8.190 nan 0.000 0.452 422 A N -0.429 122.419 122.820 0.046 0.000 1.898 422 A HA -0.181 4.186 4.320 0.079 0.000 0.216 422 A C 2.482 180.097 177.584 0.051 0.000 1.181 422 A CA 2.196 54.258 52.037 0.042 0.000 0.620 422 A CB -0.621 18.393 19.000 0.023 0.000 0.819 422 A HN 0.514 nan 8.150 nan 0.000 0.442 423 S N -0.106 115.637 115.700 0.071 0.000 2.355 423 S HA -0.070 4.448 4.470 0.079 0.000 0.222 423 S C 1.797 176.411 174.600 0.023 0.000 1.031 423 S CA 1.397 59.627 58.200 0.051 0.000 0.993 423 S CB -0.474 62.777 63.200 0.084 0.000 0.859 423 S HN 0.529 nan 8.310 nan 0.000 0.453 424 I N 1.825 122.427 120.570 0.052 0.000 2.286 424 I HA -0.205 4.012 4.170 0.079 0.000 0.248 424 I C 2.653 178.853 176.117 0.138 0.000 1.115 424 I CA 1.004 62.354 61.300 0.085 0.000 1.392 424 I CB -0.448 37.614 38.000 0.103 0.000 1.065 424 I HN 0.260 nan 8.210 nan 0.000 0.418 425 A N 0.272 123.157 122.820 0.109 0.000 1.902 425 A HA -0.146 4.221 4.320 0.079 0.000 0.217 425 A C 2.454 180.083 177.584 0.076 0.000 1.181 425 A CA 1.607 53.715 52.037 0.119 0.000 0.623 425 A CB -0.937 18.112 19.000 0.082 0.000 0.818 425 A HN 0.226 nan 8.150 nan 0.000 0.443 426 V N 0.368 120.299 119.914 0.029 0.000 2.427 426 V HA -0.249 3.918 4.120 0.079 0.000 0.248 426 V C 2.547 178.597 176.094 -0.073 0.000 1.051 426 V CA 2.327 64.625 62.300 -0.004 0.000 1.048 426 V CB -0.560 31.260 31.823 -0.005 0.000 0.666 426 V HN 0.742 nan 8.190 nan 0.000 0.456 427 K N -0.700 119.603 120.400 -0.161 0.000 2.152 427 K HA -0.202 4.165 4.320 0.079 0.000 0.206 427 K C 1.287 177.441 176.600 -0.743 0.000 1.048 427 K CA 1.864 57.897 56.287 -0.423 0.000 0.933 427 K CB -0.121 32.064 32.500 -0.525 0.000 0.721 427 K HN 0.555 nan 8.250 nan 0.000 0.447 428 Y N 0.233 120.429 120.300 -0.174 0.000 2.636 428 Y HA 0.233 4.824 4.550 0.068 0.000 0.260 428 Y C -0.256 175.661 175.900 0.029 0.000 1.177 428 Y CA -0.306 57.661 58.100 -0.221 0.000 1.209 428 Y CB 0.944 39.423 38.460 0.032 0.000 1.166 428 Y HN -0.174 nan 8.280 nan 0.000 0.531 429 T N 1.745 116.363 114.554 0.105 0.000 2.829 429 T HA 0.226 4.623 4.350 0.079 0.000 0.282 429 T C -0.113 174.694 174.700 0.178 0.000 0.990 429 T CA -0.848 61.324 62.100 0.119 0.000 1.028 429 T CB 1.080 69.973 68.868 0.042 0.000 0.951 429 T HN -0.078 nan 8.240 nan 0.000 0.460 430 Q N 2.038 121.925 119.800 0.146 0.000 2.286 430 Q HA 0.163 4.550 4.340 0.079 0.000 0.290 430 Q C 0.298 176.253 176.000 -0.074 0.000 1.049 430 Q CA 0.251 56.066 55.803 0.020 0.000 0.923 430 Q CB 0.409 29.171 28.738 0.039 0.000 1.183 430 Q HN 0.588 nan 8.270 nan 0.000 0.383 431 S N 2.535 118.053 115.700 -0.302 0.000 2.593 431 S HA 0.122 4.639 4.470 0.079 0.000 0.269 431 S C 0.518 175.056 174.600 -0.104 0.000 1.334 431 S CA -0.725 57.310 58.200 -0.274 0.000 1.015 431 S CB 0.400 63.266 63.200 -0.558 0.000 0.912 431 S HN 0.674 nan 8.310 nan 0.000 0.541 432 N N 0.445 119.091 118.700 -0.090 0.000 2.424 432 N HA 0.343 5.130 4.740 0.079 0.000 0.257 432 N C -1.075 174.435 175.510 -0.000 0.000 1.250 432 N CA -0.459 52.544 53.050 -0.078 0.000 0.946 432 N CB 0.380 38.833 38.487 -0.056 0.000 1.175 432 N HN 0.360 nan 8.380 nan 0.000 0.477 433 S N -1.058 114.662 115.700 0.032 0.000 2.540 433 S HA 0.657 5.174 4.470 0.079 0.000 0.275 433 S C -0.825 173.809 174.600 0.057 0.000 1.123 433 S CA -0.903 57.325 58.200 0.046 0.000 0.907 433 S CB 1.235 64.456 63.200 0.035 0.000 1.081 433 S HN 0.769 nan 8.310 nan 0.000 0.476 434 V N -1.286 118.679 119.914 0.086 0.000 2.709 434 V HA 0.838 5.005 4.120 0.079 0.000 0.308 434 V C -0.551 175.610 176.094 0.111 0.000 1.062 434 V CA -0.792 61.564 62.300 0.092 0.000 0.901 434 V CB 0.986 32.900 31.823 0.151 0.000 1.003 434 V HN 1.058 nan 8.190 nan 0.000 0.425 435 C N 5.062 124.399 119.300 0.063 0.000 2.408 435 C HA 0.814 5.321 4.460 0.079 0.000 0.321 435 C C -0.872 174.149 174.990 0.051 0.000 1.245 435 C CA -0.368 58.708 59.018 0.097 0.000 1.523 435 C CB 0.542 28.316 27.740 0.057 0.000 2.178 435 C HN 0.861 nan 8.230 nan 0.000 0.488 436 Y N 3.648 123.948 120.300 0.001 0.000 2.320 436 Y HA 0.618 5.215 4.550 0.077 0.000 0.334 436 Y C 0.629 176.479 175.900 -0.084 0.000 1.055 436 Y CA -0.177 57.907 58.100 -0.027 0.000 1.143 436 Y CB 1.239 39.679 38.460 -0.034 0.000 1.193 436 Y HN 0.904 nan 8.280 nan 0.000 0.477 437 A N 3.685 126.527 122.820 0.038 0.000 2.435 437 A HA 0.885 5.252 4.320 0.079 0.000 0.304 437 A C -1.110 176.436 177.584 -0.063 0.000 1.064 437 A CA -0.859 51.151 52.037 -0.044 0.000 0.727 437 A CB 1.974 20.961 19.000 -0.023 0.000 1.284 437 A HN 0.724 nan 8.150 nan 0.000 0.415 438 K N 0.947 121.275 120.400 -0.120 0.000 2.568 438 K HA 0.471 4.839 4.320 0.079 0.000 0.273 438 K C -1.349 175.235 176.600 -0.027 0.000 0.951 438 K CA -0.318 55.929 56.287 -0.067 0.000 0.854 438 K CB 1.230 33.683 32.500 -0.079 0.000 1.424 438 K HN 0.544 nan 8.250 nan 0.000 0.427 439 D N 2.374 122.795 120.400 0.035 0.000 2.751 439 D HA -0.174 4.513 4.640 0.079 0.000 0.233 439 D C 0.590 176.927 176.300 0.062 0.000 1.149 439 D CA 2.134 56.181 54.000 0.079 0.000 0.682 439 D CB -1.332 39.569 40.800 0.169 0.000 1.068 439 D HN 1.092 nan 8.370 nan 0.000 0.429 440 G N -0.262 108.554 108.800 0.027 0.000 2.155 440 G HA2 -0.332 3.675 3.960 0.079 0.000 0.257 440 G HA3 -0.332 3.675 3.960 0.079 0.000 0.257 440 G C 0.151 175.066 174.900 0.027 0.000 0.983 440 G CA 1.122 46.238 45.100 0.027 0.000 0.676 440 G HN 0.799 nan 8.290 nan 0.000 0.528 441 Q N -0.952 118.848 119.800 0.001 0.000 2.423 441 Q HA 0.742 5.129 4.340 0.079 0.000 0.278 441 Q C -0.327 175.622 176.000 -0.085 0.000 1.097 441 Q CA -1.226 54.567 55.803 -0.016 0.000 0.809 441 Q CB 2.441 31.186 28.738 0.012 0.000 1.391 441 Q HN 0.282 nan 8.270 nan 0.000 0.428 442 V N 3.516 123.394 119.914 -0.060 0.000 2.599 442 V HA -0.029 4.138 4.120 0.079 0.000 0.300 442 V C 1.006 176.957 176.094 -0.237 0.000 1.034 442 V CA 0.722 62.971 62.300 -0.085 0.000 1.115 442 V CB 0.078 31.891 31.823 -0.017 0.000 0.934 442 V HN 0.887 nan 8.190 nan 0.000 0.485 443 I N 1.713 122.090 120.570 -0.323 0.000 4.323 443 I HA 0.639 4.856 4.170 0.079 0.000 0.328 443 I C 0.804 176.778 176.117 -0.238 0.000 1.310 443 I CA 0.340 61.264 61.300 -0.627 0.000 1.186 443 I CB 0.833 38.114 38.000 -1.197 0.000 1.130 443 I HN 0.604 nan 8.210 nan 0.000 0.411 444 G N 2.183 110.944 108.800 -0.066 0.000 2.684 444 G HA2 0.616 4.623 3.960 0.079 0.000 0.289 444 G HA3 0.616 4.623 3.960 0.079 0.000 0.289 444 G C -1.871 173.096 174.900 0.111 0.000 1.416 444 G CA -0.325 44.777 45.100 0.004 0.000 1.235 444 G HN 0.159 nan 8.290 nan 0.000 0.576 445 I N 2.108 122.730 120.570 0.086 0.000 2.465 445 I HA 0.774 4.991 4.170 0.079 0.000 0.291 445 I C 0.349 176.523 176.117 0.095 0.000 1.014 445 I CA -0.713 60.648 61.300 0.101 0.000 1.093 445 I CB 1.966 39.999 38.000 0.056 0.000 1.267 445 I HN 0.563 nan 8.210 nan 0.000 0.431 446 G N 5.725 114.594 108.800 0.115 0.000 2.372 446 G HA2 0.781 4.789 3.960 0.079 0.000 0.323 446 G HA3 0.781 4.789 3.960 0.079 0.000 0.323 446 G C -1.321 173.622 174.900 0.072 0.000 1.152 446 G CA -0.409 44.749 45.100 0.098 0.000 0.906 446 G HN 0.841 nan 8.290 nan 0.000 0.460 447 A N 0.823 123.676 122.820 0.055 0.000 2.454 447 A HA 0.848 5.215 4.320 0.079 0.000 0.302 447 A C 0.917 178.523 177.584 0.036 0.000 1.079 447 A CA 0.158 52.218 52.037 0.040 0.000 0.731 447 A CB 1.313 20.332 19.000 0.032 0.000 1.299 447 A HN 2.465 nan 8.150 nan 0.000 0.413 448 G N 0.101 108.917 108.800 0.026 0.000 2.166 448 G HA2 -0.215 3.792 3.960 0.079 0.000 0.260 448 G HA3 -0.215 3.792 3.960 0.079 0.000 0.260 448 G C 0.270 175.188 174.900 0.031 0.000 0.986 448 G CA 0.801 45.920 45.100 0.032 0.000 0.683 448 G HN 0.806 nan 8.290 nan 0.000 0.527 449 Q N -0.960 118.860 119.800 0.033 0.000 2.308 449 Q HA 0.546 4.933 4.340 0.079 0.000 0.207 449 Q C 1.370 177.390 176.000 0.033 0.000 1.035 449 Q CA -0.016 55.816 55.803 0.048 0.000 1.008 449 Q CB 0.325 29.112 28.738 0.082 0.000 1.168 449 Q HN 0.589 nan 8.270 nan 0.000 0.565 450 Q N -0.745 119.091 119.800 0.061 0.000 2.143 450 Q HA 0.157 4.544 4.340 0.079 0.000 0.242 450 Q C -0.188 175.830 176.000 0.030 0.000 0.790 450 Q CA -0.029 55.793 55.803 0.032 0.000 0.954 450 Q CB 1.309 30.071 28.738 0.039 0.000 1.155 450 Q HN 0.544 nan 8.270 nan 0.000 0.474 451 S N -0.573 115.162 115.700 0.058 0.000 2.513 451 S HA 0.451 4.968 4.470 0.079 0.000 0.299 451 S C 0.196 174.809 174.600 0.022 0.000 1.087 451 S CA -0.665 57.524 58.200 -0.018 0.000 1.012 451 S CB 2.392 65.472 63.200 -0.199 0.000 1.044 451 S HN 0.138 nan 8.310 nan 0.000 0.485 452 R N 2.204 122.715 120.500 0.018 0.000 2.075 452 R HA 0.091 4.479 4.340 0.079 0.000 0.232 452 R C 1.790 178.168 176.300 0.130 0.000 1.126 452 R CA 1.887 58.033 56.100 0.077 0.000 0.963 452 R CB -0.972 29.372 30.300 0.074 0.000 0.858 452 R HN 0.744 nan 8.270 nan 0.000 0.435 453 I N 0.358 120.978 120.570 0.084 0.000 2.394 453 I HA -0.179 4.038 4.170 0.079 0.000 0.251 453 I C 1.398 177.606 176.117 0.151 0.000 1.136 453 I CA 1.541 62.899 61.300 0.097 0.000 1.425 453 I CB -0.441 37.598 38.000 0.064 0.000 1.079 453 I HN 0.251 nan 8.210 nan 0.000 0.425 454 H N -1.047 118.075 119.070 0.087 0.000 2.421 454 H HA -0.145 4.458 4.556 0.077 0.000 0.298 454 H C 2.441 177.816 175.328 0.080 0.000 1.087 454 H CA 1.479 57.569 56.048 0.070 0.000 1.330 454 H CB -0.891 28.904 29.762 0.054 0.000 1.388 454 H HN 0.438 nan 8.280 nan 0.000 0.526 455 C N 0.223 119.656 119.300 0.221 0.000 2.505 455 C HA -0.053 4.454 4.460 0.079 0.000 0.279 455 C C 2.776 177.884 174.990 0.197 0.000 1.316 455 C CA 1.228 60.351 59.018 0.174 0.000 1.720 455 C CB -0.923 26.901 27.740 0.140 0.000 2.050 455 C HN 0.532 nan 8.230 nan 0.000 0.493 456 T N 0.528 115.213 114.554 0.219 0.000 2.759 456 T HA -0.155 4.242 4.350 0.079 0.000 0.269 456 T C 1.917 176.771 174.700 0.257 0.000 1.042 456 T CA 1.425 63.684 62.100 0.264 0.000 1.140 456 T CB -0.251 68.743 68.868 0.210 0.000 0.864 456 T HN 0.606 nan 8.240 nan 0.000 0.455 457 R N 0.126 120.736 120.500 0.182 0.000 2.093 457 R HA 0.115 4.502 4.340 0.079 0.000 0.224 457 R C 2.393 178.745 176.300 0.087 0.000 1.101 457 R CA 0.674 56.850 56.100 0.127 0.000 0.979 457 R CB -0.482 29.891 30.300 0.122 0.000 0.877 457 R HN 0.236 nan 8.270 nan 0.000 0.441 458 L N 0.878 122.161 121.223 0.100 0.000 2.017 458 L HA -0.074 4.313 4.340 0.079 0.000 0.208 458 L C 2.203 179.107 176.870 0.058 0.000 1.073 458 L CA 2.071 56.953 54.840 0.069 0.000 0.745 458 L CB -0.644 41.460 42.059 0.075 0.000 0.894 458 L HN 0.110 nan 8.230 nan 0.000 0.432 459 A N -0.473 122.413 122.820 0.110 0.000 1.930 459 A HA 0.004 4.371 4.320 0.079 0.000 0.217 459 A C 2.326 179.774 177.584 -0.226 0.000 1.175 459 A CA 1.352 53.451 52.037 0.102 0.000 0.627 459 A CB -1.574 17.632 19.000 0.344 0.000 0.815 459 A HN 0.553 nan 8.150 nan 0.000 0.443 460 G N -0.065 108.565 108.800 -0.284 0.000 2.418 460 G HA2 -0.240 3.767 3.960 0.079 0.000 0.217 460 G HA3 -0.240 3.767 3.960 0.079 0.000 0.217 460 G C 1.124 175.865 174.900 -0.266 0.000 1.158 460 G CA 1.264 46.027 45.100 -0.563 0.000 0.771 460 G HN 0.450 nan 8.290 nan 0.000 0.545 461 D N 0.667 121.010 120.400 -0.094 0.000 2.097 461 D HA -0.047 4.640 4.640 0.079 0.000 0.195 461 D C 2.485 178.790 176.300 0.009 0.000 0.989 461 D CA 0.845 54.834 54.000 -0.018 0.000 0.827 461 D CB -0.200 40.605 40.800 0.010 0.000 0.966 461 D HN 0.271 nan 8.370 nan 0.000 0.456 462 K N 0.462 120.863 120.400 0.001 0.000 2.074 462 K HA -0.121 4.247 4.320 0.079 0.000 0.209 462 K C 2.035 178.690 176.600 0.092 0.000 1.048 462 K CA 1.340 57.658 56.287 0.051 0.000 0.926 462 K CB -0.137 32.389 32.500 0.044 0.000 0.713 462 K HN 0.064 nan 8.250 nan 0.000 0.444 463 A N 1.278 124.082 122.820 -0.026 0.000 2.014 463 A HA -0.133 4.235 4.320 0.079 0.000 0.218 463 A C 1.638 179.379 177.584 0.261 0.000 1.163 463 A CA 1.297 53.367 52.037 0.055 0.000 0.652 463 A CB -0.483 18.370 19.000 -0.245 0.000 0.808 463 A HN 0.359 nan 8.150 nan 0.000 0.449 464 N N -0.137 118.666 118.700 0.171 0.000 2.142 464 N HA -0.105 4.682 4.740 0.079 0.000 0.186 464 N C 1.865 177.561 175.510 0.310 0.000 1.023 464 N CA 1.234 54.437 53.050 0.254 0.000 0.852 464 N CB -0.069 38.508 38.487 0.150 0.000 0.998 464 N HN 0.420 nan 8.380 nan 0.000 0.424 465 S N 0.548 116.397 115.700 0.249 0.000 2.348 465 S HA -0.174 4.343 4.470 0.079 0.000 0.221 465 S C 1.432 176.225 174.600 0.322 0.000 1.033 465 S CA 0.921 59.261 58.200 0.234 0.000 1.010 465 S CB -0.536 62.777 63.200 0.189 0.000 0.891 465 S HN 0.497 nan 8.310 nan 0.000 0.442 466 W N 1.838 123.274 121.300 0.226 0.000 2.301 466 W HA -0.223 4.485 4.660 0.080 0.000 0.325 466 W C 2.257 179.080 176.519 0.507 0.000 1.250 466 W CA 1.772 59.303 57.345 0.310 0.000 1.261 466 W CB -0.723 28.895 29.460 0.262 0.000 1.157 466 W HN 0.415 nan 8.180 nan 0.000 0.473 467 W N 0.506 122.016 121.300 0.350 0.000 2.333 467 W HA -0.279 4.428 4.660 0.078 0.000 0.316 467 W C 2.028 178.790 176.519 0.405 0.000 1.215 467 W CA 1.714 59.155 57.345 0.160 0.000 1.278 467 W CB -0.760 28.849 29.460 0.248 0.000 1.154 467 W HN -0.105 nan 8.180 nan 0.000 0.486 468 L N 0.642 122.030 121.223 0.275 0.000 2.187 468 L HA -0.210 4.177 4.340 0.079 0.000 0.213 468 L C 2.571 179.390 176.870 -0.084 0.000 1.100 468 L CA 1.218 56.085 54.840 0.044 0.000 0.765 468 L CB -0.660 41.447 42.059 0.081 0.000 0.904 468 L HN -0.037 nan 8.230 nan 0.000 0.437 469 R N -1.173 119.329 120.500 0.004 0.000 2.237 469 R HA -0.134 4.253 4.340 0.079 0.000 0.219 469 R C 1.700 177.859 176.300 -0.235 0.000 1.080 469 R CA 0.746 56.798 56.100 -0.081 0.000 0.995 469 R CB -0.219 30.038 30.300 -0.072 0.000 0.875 469 R HN 0.435 nan 8.270 nan 0.000 0.462 470 H N -1.543 117.328 119.070 -0.333 0.000 2.551 470 H HA 0.039 4.642 4.556 0.078 0.000 0.266 470 H C 0.366 175.425 175.328 -0.448 0.000 0.964 470 H CA 0.153 56.001 56.048 -0.334 0.000 1.180 470 H CB -0.103 29.423 29.762 -0.394 0.000 1.408 470 H HN 0.104 nan 8.280 nan 0.000 0.563 471 H N 1.927 120.505 119.070 -0.820 0.000 3.001 471 H HA -0.048 4.555 4.556 0.078 0.000 0.334 471 H C -1.585 173.315 175.328 -0.713 0.000 1.034 471 H CA -1.431 53.751 56.048 -1.443 0.000 1.420 471 H CB 1.241 30.175 29.762 -1.381 0.000 1.405 471 H HN 0.117 nan 8.280 nan 0.000 0.593 472 P HA -0.173 nan 4.420 nan 0.000 0.217 472 P C 1.538 178.759 177.300 -0.131 0.000 1.151 472 P CA 1.571 64.472 63.100 -0.332 0.000 0.849 472 P CB 0.058 31.559 31.700 -0.331 0.000 0.787 473 R N -0.464 120.074 120.500 0.063 0.000 2.148 473 R HA -0.043 4.344 4.340 0.079 0.000 0.223 473 R C 1.820 178.062 176.300 -0.097 0.000 1.088 473 R CA 0.852 56.954 56.100 0.004 0.000 0.985 473 R CB -0.404 29.919 30.300 0.038 0.000 0.880 473 R HN 0.043 nan 8.270 nan 0.000 0.451 474 V N 1.031 120.894 119.914 -0.083 0.000 2.379 474 V HA -0.205 3.962 4.120 0.079 0.000 0.245 474 V C 2.226 178.257 176.094 -0.105 0.000 1.044 474 V CA 1.400 63.627 62.300 -0.121 0.000 1.036 474 V CB -0.353 31.430 31.823 -0.065 0.000 0.664 474 V HN 0.312 nan 8.190 nan 0.000 0.453 475 L N 1.077 122.222 121.223 -0.130 0.000 2.131 475 L HA -0.096 4.291 4.340 0.079 0.000 0.210 475 L C 1.983 178.789 176.870 -0.107 0.000 1.092 475 L CA 1.689 56.451 54.840 -0.130 0.000 0.759 475 L CB -0.506 41.459 42.059 -0.156 0.000 0.903 475 L HN 0.528 nan 8.230 nan 0.000 0.435 476 S N -1.384 114.253 115.700 -0.105 0.000 2.602 476 S HA 0.293 4.810 4.470 0.079 0.000 0.246 476 S C 0.391 174.931 174.600 -0.100 0.000 1.009 476 S CA -0.449 57.694 58.200 -0.096 0.000 1.052 476 S CB -0.287 62.858 63.200 -0.092 0.000 0.778 476 S HN 0.151 nan 8.310 nan 0.000 0.455 477 M N 3.023 122.570 119.600 -0.087 0.000 2.146 477 M HA 0.285 4.813 4.480 0.079 0.000 0.352 477 M C -0.393 175.839 176.300 -0.113 0.000 1.343 477 M CA -0.087 55.132 55.300 -0.135 0.000 1.115 477 M CB 0.732 33.268 32.600 -0.106 0.000 1.657 477 M HN 0.011 nan 8.290 nan 0.000 0.471 478 K N 5.035 125.340 120.400 -0.158 0.000 2.292 478 K HA 0.420 4.787 4.320 0.079 0.000 0.270 478 K C -0.950 175.515 176.600 -0.226 0.000 1.062 478 K CA -0.034 56.191 56.287 -0.104 0.000 0.916 478 K CB 0.319 32.778 32.500 -0.068 0.000 1.166 478 K HN 0.381 nan 8.250 nan 0.000 0.458 479 F N 1.256 121.110 119.950 -0.161 0.000 2.378 479 F HA 0.319 4.893 4.527 0.079 0.000 0.325 479 F C 1.304 176.982 175.800 -0.204 0.000 1.097 479 F CA -0.612 57.196 58.000 -0.319 0.000 1.079 479 F CB 0.915 39.679 39.000 -0.392 0.000 1.240 479 F HN 0.173 nan 8.300 nan 0.000 0.519 480 K N 0.495 120.879 120.400 -0.026 0.000 2.187 480 K HA 0.342 4.710 4.320 0.079 0.000 0.247 480 K C 0.888 177.475 176.600 -0.022 0.000 1.019 480 K CA 0.105 56.373 56.287 -0.032 0.000 0.893 480 K CB 0.454 32.921 32.500 -0.054 0.000 1.025 480 K HN 0.727 nan 8.250 nan 0.000 0.500 481 A N 1.262 124.067 122.820 -0.026 0.000 1.858 481 A HA -0.095 4.272 4.320 0.079 0.000 0.216 481 A C 2.098 179.657 177.584 -0.041 0.000 1.190 481 A CA 1.965 53.984 52.037 -0.029 0.000 0.617 481 A CB -1.211 17.776 19.000 -0.023 0.000 0.827 481 A HN 0.892 nan 8.150 nan 0.000 0.443 482 G N -0.761 108.015 108.800 -0.040 0.000 2.625 482 G HA2 0.214 4.221 3.960 0.079 0.000 0.214 482 G HA3 0.214 4.221 3.960 0.079 0.000 0.214 482 G C 0.495 175.359 174.900 -0.059 0.000 1.132 482 G CA 0.516 45.590 45.100 -0.043 0.000 0.782 482 G HN 0.291 nan 8.290 nan 0.000 0.538 483 V N 1.633 121.498 119.914 -0.081 0.000 2.450 483 V HA 0.062 4.229 4.120 0.079 0.000 0.281 483 V C 0.588 176.597 176.094 -0.143 0.000 1.019 483 V CA -0.000 62.225 62.300 -0.125 0.000 1.062 483 V CB 0.457 32.178 31.823 -0.171 0.000 0.979 483 V HN 0.279 nan 8.190 nan 0.000 0.477 484 K N 5.168 125.500 120.400 -0.114 0.000 2.202 484 K HA 0.296 4.663 4.320 0.079 0.000 0.264 484 K C 1.241 177.763 176.600 -0.130 0.000 1.010 484 K CA -0.729 55.504 56.287 -0.091 0.000 0.940 484 K CB 0.791 33.269 32.500 -0.036 0.000 0.983 484 K HN 0.475 nan 8.250 nan 0.000 0.475 485 R N 0.965 121.407 120.500 -0.098 0.000 2.103 485 R HA -0.215 4.172 4.340 0.079 0.000 0.242 485 R C 1.984 178.244 176.300 -0.067 0.000 1.142 485 R CA 1.826 57.864 56.100 -0.104 0.000 0.960 485 R CB -0.814 29.456 30.300 -0.051 0.000 0.858 485 R HN 0.741 nan 8.270 nan 0.000 0.439 486 A N 1.616 124.444 122.820 0.013 0.000 1.930 486 A HA -0.147 4.220 4.320 0.079 0.000 0.217 486 A C 2.024 179.602 177.584 -0.010 0.000 1.175 486 A CA 1.123 53.207 52.037 0.077 0.000 0.627 486 A CB -0.253 18.884 19.000 0.228 0.000 0.815 486 A HN 0.376 nan 8.150 nan 0.000 0.443 487 E N -0.180 119.986 120.200 -0.055 0.000 2.110 487 E HA -0.126 4.271 4.350 0.079 0.000 0.193 487 E C 1.934 178.448 176.600 -0.144 0.000 0.988 487 E CA 1.247 57.597 56.400 -0.084 0.000 0.804 487 E CB -0.314 29.328 29.700 -0.097 0.000 0.745 487 E HN 0.407 nan 8.360 nan 0.000 0.458 488 V N 1.640 121.379 119.914 -0.291 0.000 2.287 488 V HA -0.291 3.876 4.120 0.079 0.000 0.248 488 V C 2.452 178.441 176.094 -0.176 0.000 1.053 488 V CA 2.195 64.198 62.300 -0.494 0.000 1.027 488 V CB -0.689 30.699 31.823 -0.725 0.000 0.646 488 V HN 0.348 nan 8.190 nan 0.000 0.447 489 S N -0.108 115.543 115.700 -0.082 0.000 2.423 489 S HA -0.185 4.333 4.470 0.079 0.000 0.231 489 S C 1.876 176.523 174.600 0.078 0.000 1.014 489 S CA 1.293 59.504 58.200 0.018 0.000 0.965 489 S CB -0.613 62.612 63.200 0.041 0.000 0.785 489 S HN 0.612 nan 8.310 nan 0.000 0.495 490 N N 2.176 120.915 118.700 0.065 0.000 2.106 490 N HA 0.009 4.796 4.740 0.079 0.000 0.188 490 N C 1.898 177.538 175.510 0.217 0.000 1.029 490 N CA 1.495 54.606 53.050 0.103 0.000 0.848 490 N CB -0.450 38.072 38.487 0.059 0.000 1.007 490 N HN 0.543 nan 8.380 nan 0.000 0.423 491 A N 0.926 123.911 122.820 0.275 0.000 1.929 491 A HA 0.009 4.376 4.320 0.079 0.000 0.216 491 A C 2.341 180.363 177.584 0.730 0.000 1.176 491 A CA 0.602 52.987 52.037 0.580 0.000 0.628 491 A CB -0.431 18.784 19.000 0.357 0.000 0.816 491 A HN 0.259 nan 8.150 nan 0.000 0.444 492 I N -0.384 120.462 120.570 0.459 0.000 2.202 492 I HA -0.235 3.982 4.170 0.079 0.000 0.242 492 I C 2.270 178.583 176.117 0.326 0.000 1.091 492 I CA 1.859 63.397 61.300 0.398 0.000 1.368 492 I CB -0.341 37.810 38.000 0.252 0.000 1.058 492 I HN 0.416 nan 8.210 nan 0.000 0.410 493 D N 0.524 121.066 120.400 0.236 0.000 2.104 493 D HA -0.255 4.432 4.640 0.079 0.000 0.194 493 D C 2.221 178.610 176.300 0.149 0.000 0.994 493 D CA 1.570 55.673 54.000 0.171 0.000 0.830 493 D CB 0.058 40.938 40.800 0.133 0.000 0.959 493 D HN 0.306 nan 8.370 nan 0.000 0.452 494 Q N -1.388 118.517 119.800 0.174 0.000 2.170 494 Q HA -0.192 4.195 4.340 0.079 0.000 0.203 494 Q C 1.809 177.794 176.000 -0.025 0.000 0.976 494 Q CA 1.094 56.935 55.803 0.064 0.000 0.858 494 Q CB -0.214 28.565 28.738 0.068 0.000 0.907 494 Q HN 0.504 nan 8.270 nan 0.000 0.433 495 Y N 0.843 121.122 120.300 -0.035 0.000 2.133 495 Y HA -0.214 4.383 4.550 0.078 0.000 0.287 495 Y C 2.154 177.997 175.900 -0.095 0.000 1.134 495 Y CA 1.605 59.639 58.100 -0.110 0.000 1.133 495 Y CB -0.150 38.394 38.460 0.139 0.000 0.987 495 Y HN 0.023 nan 8.280 nan 0.000 0.502 496 V N -2.240 117.712 119.914 0.063 0.000 3.041 496 V HA -0.045 4.122 4.120 0.079 0.000 0.260 496 V C 1.604 177.666 176.094 -0.053 0.000 1.105 496 V CA 1.841 64.123 62.300 -0.030 0.000 1.125 496 V CB -1.277 30.599 31.823 0.089 0.000 0.730 496 V HN 0.583 nan 8.190 nan 0.000 0.479 497 T N -3.285 111.245 114.554 -0.040 0.000 3.069 497 T HA 0.390 4.787 4.350 0.079 0.000 0.252 497 T C 1.546 176.191 174.700 -0.092 0.000 1.053 497 T CA 0.531 62.607 62.100 -0.040 0.000 0.964 497 T CB 0.009 68.876 68.868 -0.000 0.000 1.005 497 T HN 1.571 nan 8.240 nan 0.000 0.532 498 G N 2.422 111.122 108.800 -0.165 0.000 2.323 498 G HA2 -0.254 3.753 3.960 0.079 0.000 0.292 498 G HA3 -0.254 3.753 3.960 0.079 0.000 0.292 498 G C 0.402 175.207 174.900 -0.157 0.000 1.040 498 G CA 0.544 45.522 45.100 -0.203 0.000 0.942 498 G HN 1.141 nan 8.290 nan 0.000 0.506 499 T N -2.739 111.731 114.554 -0.141 0.000 3.308 499 T HA 0.552 4.949 4.350 0.079 0.000 0.270 499 T C 1.850 176.474 174.700 -0.127 0.000 0.992 499 T CA 0.141 62.179 62.100 -0.103 0.000 0.931 499 T CB 0.135 68.973 68.868 -0.051 0.000 1.142 499 T HN 0.271 nan 8.240 nan 0.000 0.525 500 I N 1.540 121.971 120.570 -0.232 0.000 2.286 500 I HA 0.294 4.511 4.170 0.079 0.000 0.245 500 I C 1.740 177.767 176.117 -0.149 0.000 1.104 500 I CA 1.197 62.316 61.300 -0.303 0.000 1.397 500 I CB -0.521 37.085 38.000 -0.657 0.000 1.072 500 I HN 0.749 nan 8.210 nan 0.000 0.417 501 G N 1.567 110.288 108.800 -0.132 0.000 2.566 501 G HA2 -0.149 3.858 3.960 0.079 0.000 0.599 501 G HA3 -0.149 3.858 3.960 0.079 0.000 0.599 501 G C -0.256 174.603 174.900 -0.068 0.000 1.292 501 G CA -0.089 44.967 45.100 -0.072 0.000 0.922 501 G HN 0.494 nan 8.290 nan 0.000 0.514 502 E N -0.479 119.699 120.200 -0.037 0.000 4.090 502 E HA 0.597 4.994 4.350 0.079 0.000 0.235 502 E C -0.354 176.240 176.600 -0.011 0.000 1.187 502 E CA -0.247 56.135 56.400 -0.031 0.000 1.308 502 E CB 1.120 30.796 29.700 -0.041 0.000 1.222 502 E HN 0.423 nan 8.360 nan 0.000 0.414 503 D N 0.725 121.129 120.400 0.006 0.000 2.969 503 D HA -0.094 4.593 4.640 0.079 0.000 0.073 503 D C 0.790 177.108 176.300 0.030 0.000 1.541 503 D CA 0.011 54.019 54.000 0.014 0.000 0.921 503 D CB -0.292 40.513 40.800 0.008 0.000 2.983 503 D HN 0.120 nan 8.370 nan 0.000 0.238 504 E N 0.604 120.822 120.200 0.030 0.000 2.268 504 E HA -0.098 4.299 4.350 0.079 0.000 0.195 504 E C 0.885 177.521 176.600 0.060 0.000 0.995 504 E CA 1.354 57.779 56.400 0.042 0.000 0.836 504 E CB 0.145 29.864 29.700 0.033 0.000 0.763 504 E HN 0.200 nan 8.360 nan 0.000 0.491 505 D N -0.067 120.367 120.400 0.055 0.000 2.137 505 D HA -0.114 4.573 4.640 0.079 0.000 0.202 505 D C 1.929 178.300 176.300 0.118 0.000 0.970 505 D CA 0.493 54.538 54.000 0.075 0.000 0.837 505 D CB 0.033 40.858 40.800 0.043 0.000 0.981 505 D HN 0.219 nan 8.370 nan 0.000 0.475 506 L N 1.061 122.336 121.223 0.086 0.000 2.017 506 L HA -0.145 4.242 4.340 0.079 0.000 0.208 506 L C 2.291 179.287 176.870 0.209 0.000 1.073 506 L CA 1.342 56.256 54.840 0.124 0.000 0.745 506 L CB -0.593 41.496 42.059 0.049 0.000 0.894 506 L HN -0.167 nan 8.230 nan 0.000 0.432 507 V N -0.106 119.891 119.914 0.137 0.000 2.332 507 V HA -0.344 3.823 4.120 0.079 0.000 0.248 507 V C 2.634 178.815 176.094 0.145 0.000 1.055 507 V CA 2.185 64.559 62.300 0.123 0.000 1.038 507 V CB -0.703 31.165 31.823 0.075 0.000 0.651 507 V HN 0.487 nan 8.190 nan 0.000 0.450 508 K N -1.529 118.964 120.400 0.155 0.000 2.025 508 K HA -0.233 4.134 4.320 0.079 0.000 0.207 508 K C 1.975 178.702 176.600 0.210 0.000 1.049 508 K CA 1.936 58.312 56.287 0.149 0.000 0.933 508 K CB -0.312 32.266 32.500 0.130 0.000 0.714 508 K HN 0.631 nan 8.250 nan 0.000 0.438 509 W N 2.516 123.876 121.300 0.099 0.000 2.358 509 W HA -0.184 4.522 4.660 0.078 0.000 0.303 509 W C 1.913 178.590 176.519 0.264 0.000 1.208 509 W CA 1.381 58.827 57.345 0.167 0.000 1.274 509 W CB -0.011 29.543 29.460 0.157 0.000 1.138 509 W HN 0.079 nan 8.180 nan 0.000 0.515 510 Q N -0.100 119.908 119.800 0.346 0.000 2.170 510 Q HA -0.177 4.210 4.340 0.079 0.000 0.203 510 Q C 2.338 178.391 176.000 0.089 0.000 0.976 510 Q CA 1.616 57.505 55.803 0.144 0.000 0.858 510 Q CB -0.590 28.253 28.738 0.175 0.000 0.907 510 Q HN 0.376 nan 8.270 nan 0.000 0.433 511 A N 0.314 123.174 122.820 0.067 0.000 2.125 511 A HA -0.121 4.247 4.320 0.079 0.000 0.219 511 A C 1.816 179.374 177.584 -0.043 0.000 1.156 511 A CA 0.928 52.976 52.037 0.019 0.000 0.671 511 A CB -0.341 18.675 19.000 0.026 0.000 0.794 511 A HN 0.319 nan 8.150 nan 0.000 0.459 512 M N -1.485 118.040 119.600 -0.124 0.000 2.595 512 M HA 0.162 4.690 4.480 0.079 0.000 0.248 512 M C -0.733 175.268 176.300 -0.498 0.000 1.119 512 M CA 0.426 55.541 55.300 -0.308 0.000 1.079 512 M CB 0.059 32.384 32.600 -0.459 0.000 1.472 512 M HN 0.351 nan 8.290 nan 0.000 0.501 513 F N -0.656 119.109 119.950 -0.307 0.000 2.450 513 F HA 0.198 4.772 4.527 0.078 0.000 0.332 513 F C 1.365 177.025 175.800 -0.233 0.000 1.093 513 F CA -0.657 57.110 58.000 -0.389 0.000 1.003 513 F CB 0.885 39.554 39.000 -0.550 0.000 1.151 513 F HN -0.083 nan 8.300 nan 0.000 0.474 514 E N 1.494 121.665 120.200 -0.048 0.000 2.046 514 E HA -0.119 4.278 4.350 0.079 0.000 0.190 514 E C -0.177 176.403 176.600 -0.033 0.000 0.982 514 E CA 0.865 57.242 56.400 -0.038 0.000 0.800 514 E CB 0.272 29.947 29.700 -0.042 0.000 0.756 514 E HN 0.776 nan 8.360 nan 0.000 0.449 515 E N -0.030 120.142 120.200 -0.046 0.000 2.234 515 E HA 0.374 4.771 4.350 0.079 0.000 0.266 515 E C -0.957 175.561 176.600 -0.137 0.000 0.877 515 E CA -0.735 55.622 56.400 -0.073 0.000 0.758 515 E CB 2.162 31.816 29.700 -0.077 0.000 1.170 515 E HN -0.186 nan 8.360 nan 0.000 0.415 516 V N 4.291 124.102 119.914 -0.172 0.000 2.508 516 V HA 0.224 4.391 4.120 0.079 0.000 0.281 516 V C -1.662 174.219 176.094 -0.355 0.000 1.041 516 V CA -1.083 61.014 62.300 -0.339 0.000 1.016 516 V CB 0.203 31.914 31.823 -0.187 0.000 0.984 516 V HN 0.745 nan 8.190 nan 0.000 0.478 517 P HA 0.475 nan 4.420 nan 0.000 0.290 517 P C -0.513 176.726 177.300 -0.102 0.000 1.276 517 P CA -0.383 62.519 63.100 -0.330 0.000 0.808 517 P CB 1.385 32.791 31.700 -0.490 0.000 0.966 518 A N 3.537 126.338 122.820 -0.032 0.000 2.462 518 A HA 0.102 4.469 4.320 0.079 0.000 0.243 518 A C 0.505 178.163 177.584 0.123 0.000 1.076 518 A CA -0.230 51.823 52.037 0.026 0.000 0.773 518 A CB -0.282 18.711 19.000 -0.012 0.000 1.010 518 A HN 0.593 nan 8.150 nan 0.000 0.493 519 Q N 0.635 120.466 119.800 0.051 0.000 2.361 519 Q HA 0.230 4.618 4.340 0.079 0.000 0.276 519 Q C -0.611 175.271 176.000 -0.198 0.000 1.022 519 Q CA 0.129 55.855 55.803 -0.128 0.000 0.898 519 Q CB 0.431 29.012 28.738 -0.261 0.000 1.246 519 Q HN 0.635 nan 8.270 nan 0.000 0.410 520 L N 1.897 122.893 121.223 -0.378 0.000 2.426 520 L HA 0.128 4.516 4.340 0.079 0.000 0.271 520 L C 1.051 177.775 176.870 -0.244 0.000 1.169 520 L CA -0.423 54.235 54.840 -0.303 0.000 0.836 520 L CB 0.216 42.022 42.059 -0.421 0.000 1.112 520 L HN 0.713 nan 8.230 nan 0.000 0.465 521 T N -2.064 112.398 114.554 -0.153 0.000 2.766 521 T HA 0.053 4.451 4.350 0.079 0.000 0.295 521 T C 0.925 175.563 174.700 -0.104 0.000 1.024 521 T CA -0.549 61.482 62.100 -0.114 0.000 1.018 521 T CB 1.225 70.052 68.868 -0.068 0.000 1.002 521 T HN 0.645 nan 8.240 nan 0.000 0.532 522 E N 0.938 121.090 120.200 -0.080 0.000 2.118 522 E HA -0.083 4.314 4.350 0.079 0.000 0.195 522 E C 2.255 178.842 176.600 -0.021 0.000 0.992 522 E CA 1.840 58.208 56.400 -0.055 0.000 0.804 522 E CB -0.973 28.701 29.700 -0.044 0.000 0.741 522 E HN 0.800 nan 8.360 nan 0.000 0.458 523 A N 0.550 123.361 122.820 -0.014 0.000 1.902 523 A HA -0.198 4.169 4.320 0.079 0.000 0.217 523 A C 2.048 179.654 177.584 0.036 0.000 1.181 523 A CA 1.707 53.751 52.037 0.012 0.000 0.623 523 A CB -0.537 18.469 19.000 0.009 0.000 0.818 523 A HN 0.344 nan 8.150 nan 0.000 0.443 524 E N -0.159 120.052 120.200 0.018 0.000 2.106 524 E HA -0.172 4.225 4.350 0.079 0.000 0.192 524 E C 2.039 178.689 176.600 0.083 0.000 0.984 524 E CA 1.236 57.666 56.400 0.050 0.000 0.806 524 E CB -0.124 29.567 29.700 -0.016 0.000 0.750 524 E HN 0.588 nan 8.360 nan 0.000 0.458 525 K N 1.068 121.479 120.400 0.017 0.000 2.002 525 K HA -0.126 4.241 4.320 0.079 0.000 0.209 525 K C 2.119 178.812 176.600 0.155 0.000 1.048 525 K CA 1.143 57.466 56.287 0.059 0.000 0.930 525 K CB -0.040 32.449 32.500 -0.017 0.000 0.714 525 K HN -0.038 nan 8.250 nan 0.000 0.438 526 K N 0.961 121.423 120.400 0.103 0.000 2.103 526 K HA -0.248 4.119 4.320 0.079 0.000 0.207 526 K C 2.347 179.031 176.600 0.141 0.000 1.048 526 K CA 1.553 57.904 56.287 0.107 0.000 0.930 526 K CB -0.084 32.453 32.500 0.063 0.000 0.716 526 K HN 0.253 nan 8.250 nan 0.000 0.444 527 Q N 0.303 120.197 119.800 0.155 0.000 2.079 527 Q HA -0.193 4.194 4.340 0.079 0.000 0.200 527 Q C 1.924 178.080 176.000 0.259 0.000 0.974 527 Q CA 1.241 57.147 55.803 0.173 0.000 0.840 527 Q CB -0.117 28.716 28.738 0.159 0.000 0.898 527 Q HN 0.524 nan 8.270 nan 0.000 0.430 528 W N 0.825 122.215 121.300 0.150 0.000 2.381 528 W HA -0.157 4.549 4.660 0.078 0.000 0.301 528 W C 1.580 178.340 176.519 0.401 0.000 1.205 528 W CA 0.979 58.448 57.345 0.208 0.000 1.285 528 W CB -0.074 29.490 29.460 0.173 0.000 1.133 528 W HN 0.202 nan 8.180 nan 0.000 0.521 529 I N 1.359 122.175 120.570 0.409 0.000 2.286 529 I HA -0.265 3.952 4.170 0.079 0.000 0.248 529 I C 2.595 178.796 176.117 0.139 0.000 1.115 529 I CA 1.486 63.012 61.300 0.377 0.000 1.392 529 I CB -0.764 37.408 38.000 0.287 0.000 1.065 529 I HN -0.087 nan 8.210 nan 0.000 0.418 530 A N 0.235 123.112 122.820 0.094 0.000 2.216 530 A HA -0.143 4.224 4.320 0.079 0.000 0.214 530 A C 2.133 179.687 177.584 -0.051 0.000 1.160 530 A CA 1.162 53.206 52.037 0.013 0.000 0.725 530 A CB -0.395 18.622 19.000 0.028 0.000 0.784 530 A HN 0.360 nan 8.150 nan 0.000 0.472 531 K N -1.166 119.197 120.400 -0.062 0.000 2.361 531 K HA 0.140 4.507 4.320 0.079 0.000 0.196 531 K C 0.052 176.457 176.600 -0.324 0.000 1.039 531 K CA -0.260 55.941 56.287 -0.143 0.000 1.001 531 K CB -0.085 32.307 32.500 -0.180 0.000 0.795 531 K HN 0.392 nan 8.250 nan 0.000 0.495 532 L N 2.235 123.102 121.223 -0.593 0.000 2.416 532 L HA 0.040 4.427 4.340 0.079 0.000 0.272 532 L C 0.112 176.702 176.870 -0.466 0.000 1.161 532 L CA 0.833 55.106 54.840 -0.946 0.000 0.845 532 L CB 0.634 41.907 42.059 -1.309 0.000 1.119 532 L HN 0.151 nan 8.230 nan 0.000 0.464 533 T N 1.578 115.901 114.554 -0.385 0.000 2.887 533 T HA 0.721 5.119 4.350 0.079 0.000 0.292 533 T C 0.233 174.834 174.700 -0.165 0.000 1.087 533 T CA -0.415 61.547 62.100 -0.230 0.000 1.009 533 T CB 1.456 70.224 68.868 -0.167 0.000 1.203 533 T HN 1.684 nan 8.240 nan 0.000 0.518 534 A N -0.058 122.678 122.820 -0.139 0.000 2.869 534 A HA -0.003 4.364 4.320 0.079 0.000 0.280 534 A C 0.309 177.944 177.584 0.084 0.000 1.458 534 A CA 0.495 52.525 52.037 -0.012 0.000 0.776 534 A CB -2.700 16.365 19.000 0.109 0.000 1.028 534 A HN 1.300 nan 8.150 nan 0.000 0.547 535 V N 0.416 120.312 119.914 -0.030 0.000 2.686 535 V HA 0.588 4.755 4.120 0.079 0.000 0.295 535 V C 0.925 177.077 176.094 0.098 0.000 1.057 535 V CA 0.212 62.529 62.300 0.029 0.000 1.012 535 V CB 1.800 33.632 31.823 0.016 0.000 1.006 535 V HN 0.648 nan 8.190 nan 0.000 0.477 536 S N 3.646 119.413 115.700 0.110 0.000 2.537 536 S HA 0.785 5.302 4.470 0.079 0.000 0.301 536 S C -0.728 173.860 174.600 -0.019 0.000 1.092 536 S CA -0.519 57.743 58.200 0.104 0.000 1.048 536 S CB 1.567 64.803 63.200 0.060 0.000 1.053 536 S HN 0.640 nan 8.310 nan 0.000 0.501 537 L N 1.866 123.055 121.223 -0.056 0.000 2.436 537 L HA 0.684 5.071 4.340 0.079 0.000 0.268 537 L C -0.839 176.007 176.870 -0.041 0.000 0.974 537 L CA -0.153 54.595 54.840 -0.155 0.000 0.826 537 L CB 2.019 43.876 42.059 -0.338 0.000 1.291 537 L HN 0.675 nan 8.230 nan 0.000 0.406 538 S N 2.443 118.124 115.700 -0.033 0.000 2.482 538 S HA 0.655 5.172 4.470 0.079 0.000 0.303 538 S C -0.918 173.669 174.600 -0.022 0.000 1.091 538 S CA -0.336 57.866 58.200 0.002 0.000 1.057 538 S CB 1.811 65.026 63.200 0.026 0.000 1.031 538 S HN 0.665 nan 8.310 nan 0.000 0.485 539 S N 1.509 117.161 115.700 -0.079 0.000 2.503 539 S HA 0.361 4.878 4.470 0.079 0.000 0.301 539 S C 0.493 175.004 174.600 -0.148 0.000 1.087 539 S CA -0.689 57.419 58.200 -0.153 0.000 1.042 539 S CB 1.052 63.962 63.200 -0.482 0.000 1.043 539 S HN 0.872 nan 8.310 nan 0.000 0.489 540 D N 2.474 122.823 120.400 -0.085 0.000 2.347 540 D HA 0.246 4.933 4.640 0.079 0.000 0.215 540 D C 0.488 176.701 176.300 -0.145 0.000 0.976 540 D CA 0.375 54.342 54.000 -0.055 0.000 0.884 540 D CB 0.010 40.854 40.800 0.072 0.000 0.915 540 D HN 0.478 nan 8.370 nan 0.000 0.526 541 A N -0.455 122.243 122.820 -0.202 0.000 2.583 541 A HA 0.573 4.940 4.320 0.079 0.000 0.289 541 A C -0.768 176.564 177.584 -0.421 0.000 1.151 541 A CA -1.061 50.777 52.037 -0.331 0.000 0.695 541 A CB 0.382 19.190 19.000 -0.319 0.000 1.290 541 A HN 0.131 nan 8.150 nan 0.000 0.419 542 F N -0.822 118.954 119.950 -0.289 0.000 2.490 542 F HA 0.641 5.217 4.527 0.081 0.000 0.336 542 F C -0.690 174.942 175.800 -0.280 0.000 1.178 542 F CA -0.853 56.951 58.000 -0.327 0.000 1.301 542 F CB -0.234 38.622 39.000 -0.241 0.000 1.175 542 F HN 0.241 nan 8.300 nan 0.000 0.593 543 F N 2.792 122.892 119.950 0.250 0.000 2.445 543 F HA 0.342 4.918 4.527 0.080 0.000 0.359 543 F C -1.539 174.406 175.800 0.241 0.000 1.101 543 F CA -2.206 55.891 58.000 0.162 0.000 1.177 543 F CB 0.556 39.634 39.000 0.129 0.000 1.110 543 F HN 0.314 nan 8.300 nan 0.000 0.522 544 P HA -0.061 nan 4.420 nan 0.000 0.216 544 P C -0.411 176.600 177.300 -0.481 0.000 1.153 544 P CA 1.459 64.484 63.100 -0.125 0.000 0.844 544 P CB 0.299 31.789 31.700 -0.350 0.000 0.787 545 F N -2.222 117.848 119.950 0.200 0.000 2.640 545 F HA 0.385 4.959 4.527 0.079 0.000 0.324 545 F C 1.688 177.517 175.800 0.048 0.000 1.077 545 F CA -1.113 56.951 58.000 0.106 0.000 0.965 545 F CB 0.672 39.712 39.000 0.066 0.000 1.351 545 F HN -0.361 nan 8.300 nan 0.000 0.487 546 R N -0.356 120.286 120.500 0.237 0.000 2.280 546 R HA -0.046 4.341 4.340 0.079 0.000 0.207 546 R C 0.717 177.017 176.300 0.000 0.000 1.043 546 R CA 1.459 57.597 56.100 0.063 0.000 1.006 546 R CB -0.715 29.613 30.300 0.047 0.000 0.885 546 R HN 0.613 nan 8.270 nan 0.000 0.467 547 D N 1.358 121.791 120.400 0.054 0.000 2.190 547 D HA -0.244 4.443 4.640 0.079 0.000 0.200 547 D C 1.008 177.288 176.300 -0.033 0.000 0.992 547 D CA 1.278 55.289 54.000 0.018 0.000 0.854 547 D CB -0.582 40.246 40.800 0.048 0.000 0.936 547 D HN 0.293 nan 8.370 nan 0.000 0.462 548 N N 0.405 119.044 118.700 -0.101 0.000 2.084 548 N HA -0.106 4.681 4.740 0.079 0.000 0.190 548 N C 2.033 177.341 175.510 -0.336 0.000 1.030 548 N CA 1.249 54.139 53.050 -0.267 0.000 0.849 548 N CB -0.221 37.871 38.487 -0.659 0.000 1.012 548 N HN 0.201 nan 8.380 nan 0.000 0.423 549 V N 2.110 121.813 119.914 -0.352 0.000 2.453 549 V HA -0.149 4.019 4.120 0.079 0.000 0.247 549 V C 1.684 177.699 176.094 -0.133 0.000 1.048 549 V CA 1.477 63.618 62.300 -0.265 0.000 1.049 549 V CB -0.401 31.298 31.823 -0.208 0.000 0.672 549 V HN 0.170 nan 8.190 nan 0.000 0.457 550 D N -0.088 120.258 120.400 -0.090 0.000 2.144 550 D HA -0.160 4.528 4.640 0.079 0.000 0.200 550 D C 2.276 178.562 176.300 -0.023 0.000 0.978 550 D CA 1.137 55.108 54.000 -0.047 0.000 0.833 550 D CB -0.129 40.653 40.800 -0.030 0.000 0.961 550 D HN 0.265 nan 8.370 nan 0.000 0.470 551 R N 1.559 122.051 120.500 -0.014 0.000 2.061 551 R HA -0.011 4.376 4.340 0.079 0.000 0.230 551 R C 2.109 178.456 176.300 0.079 0.000 1.140 551 R CA 1.968 58.090 56.100 0.037 0.000 0.940 551 R CB -1.024 29.314 30.300 0.063 0.000 0.839 551 R HN 0.021 nan 8.270 nan 0.000 0.429 552 A N 1.028 123.897 122.820 0.083 0.000 1.903 552 A HA -0.305 4.062 4.320 0.079 0.000 0.219 552 A C 2.125 179.752 177.584 0.072 0.000 1.191 552 A CA 2.410 54.530 52.037 0.138 0.000 0.638 552 A CB -0.788 18.177 19.000 -0.058 0.000 0.823 552 A HN 0.414 nan 8.150 nan 0.000 0.451 553 K N -0.066 120.328 120.400 -0.011 0.000 2.044 553 K HA -0.160 4.207 4.320 0.079 0.000 0.210 553 K C 2.064 178.653 176.600 -0.019 0.000 1.049 553 K CA 2.001 58.266 56.287 -0.037 0.000 0.927 553 K CB -0.377 32.092 32.500 -0.053 0.000 0.713 553 K HN 0.485 nan 8.250 nan 0.000 0.443 554 R N -0.641 119.862 120.500 0.005 0.000 2.200 554 R HA -0.103 4.284 4.340 0.079 0.000 0.234 554 R C 1.102 177.406 176.300 0.006 0.000 1.127 554 R CA 1.132 57.236 56.100 0.007 0.000 0.989 554 R CB -0.221 30.091 30.300 0.020 0.000 0.869 554 R HN 0.217 nan 8.270 nan 0.000 0.459 555 I N -0.388 120.194 120.570 0.020 0.000 3.877 555 I HA 0.235 4.452 4.170 0.079 0.000 0.332 555 I C 0.460 176.547 176.117 -0.050 0.000 1.525 555 I CA -0.031 61.265 61.300 -0.005 0.000 1.146 555 I CB 0.441 38.434 38.000 -0.013 0.000 1.137 555 I HN 0.272 nan 8.210 nan 0.000 0.424 556 G N 0.849 109.607 108.800 -0.069 0.000 2.160 556 G HA2 -0.193 3.814 3.960 0.079 0.000 0.244 556 G HA3 -0.193 3.814 3.960 0.079 0.000 0.244 556 G C 0.271 175.096 174.900 -0.126 0.000 1.022 556 G CA 0.222 45.245 45.100 -0.128 0.000 0.741 556 G HN 0.255 nan 8.290 nan 0.000 0.508 557 V N 0.470 120.341 119.914 -0.072 0.000 2.529 557 V HA 0.241 4.408 4.120 0.079 0.000 0.292 557 V C 1.353 177.295 176.094 -0.252 0.000 1.028 557 V CA 1.431 63.663 62.300 -0.114 0.000 1.074 557 V CB 1.647 33.427 31.823 -0.072 0.000 0.958 557 V HN 0.559 nan 8.190 nan 0.000 0.481 558 Q N 3.249 122.763 119.800 -0.477 0.000 2.280 558 Q HA 0.274 4.661 4.340 0.079 0.000 0.244 558 Q C -0.770 174.674 176.000 -0.926 0.000 0.847 558 Q CA 0.225 55.546 55.803 -0.803 0.000 0.945 558 Q CB 0.703 28.743 28.738 -1.163 0.000 1.115 558 Q HN 0.708 nan 8.270 nan 0.000 0.513 559 F N 0.734 120.635 119.950 -0.080 0.000 2.539 559 F HA 0.544 5.118 4.527 0.078 0.000 0.318 559 F C -0.468 175.283 175.800 -0.082 0.000 1.135 559 F CA -0.849 57.095 58.000 -0.093 0.000 0.915 559 F CB 1.306 40.226 39.000 -0.133 0.000 1.176 559 F HN -0.189 nan 8.300 nan 0.000 0.440 560 I N 3.360 123.993 120.570 0.105 0.000 2.545 560 I HA 0.567 4.784 4.170 0.079 0.000 0.292 560 I C -1.269 174.922 176.117 0.123 0.000 1.040 560 I CA -1.222 60.140 61.300 0.104 0.000 1.068 560 I CB 2.408 40.494 38.000 0.144 0.000 1.251 560 I HN 0.394 nan 8.210 nan 0.000 0.424 561 V N 5.704 125.691 119.914 0.122 0.000 2.487 561 V HA 0.937 5.105 4.120 0.079 0.000 0.298 561 V C -0.665 175.483 176.094 0.091 0.000 1.028 561 V CA 0.000 62.394 62.300 0.155 0.000 0.860 561 V CB 1.448 33.421 31.823 0.250 0.000 0.991 561 V HN 0.911 nan 8.190 nan 0.000 0.427 562 A N 7.198 130.068 122.820 0.084 0.000 2.604 562 A HA 0.942 5.309 4.320 0.079 0.000 0.295 562 A C -3.235 174.317 177.584 -0.053 0.000 1.067 562 A CA -1.494 50.493 52.037 -0.082 0.000 0.683 562 A CB 2.140 20.944 19.000 -0.327 0.000 1.281 562 A HN 0.625 nan 8.150 nan 0.000 0.407 563 P HA 0.214 nan 4.420 nan 0.000 0.270 563 P C 0.394 177.492 177.300 -0.337 0.000 1.223 563 P CA 0.145 63.145 63.100 -0.167 0.000 0.785 563 P CB 0.634 32.249 31.700 -0.141 0.000 0.923 564 S N 0.427 115.835 115.700 -0.487 0.000 2.640 564 S HA 0.574 5.091 4.470 0.079 0.000 0.262 564 S C 1.125 175.489 174.600 -0.394 0.000 1.232 564 S CA 0.264 58.024 58.200 -0.732 0.000 0.988 564 S CB 0.004 62.884 63.200 -0.533 0.000 1.034 564 S HN 0.839 nan 8.310 nan 0.000 0.569 565 G N -0.870 107.645 108.800 -0.475 0.000 2.318 565 G HA2 -0.119 3.888 3.960 0.079 0.000 0.172 565 G HA3 -0.119 3.888 3.960 0.079 0.000 0.172 565 G C 0.075 174.332 174.900 -1.071 0.000 1.002 565 G CA 0.064 44.802 45.100 -0.605 0.000 0.697 565 G HN 1.040 nan 8.290 nan 0.000 0.483 566 S N 0.426 115.473 115.700 -1.088 0.000 2.580 566 S HA 0.644 5.161 4.470 0.079 0.000 0.274 566 S C 1.792 176.154 174.600 -0.398 0.000 1.329 566 S CA 0.834 58.509 58.200 -0.876 0.000 1.036 566 S CB 1.257 64.200 63.200 -0.429 0.000 0.919 566 S HN 1.465 nan 8.310 nan 0.000 0.515 567 A N 3.769 126.419 122.820 -0.284 0.000 2.070 567 A HA 0.195 4.562 4.320 0.079 0.000 0.220 567 A C 1.713 179.259 177.584 -0.064 0.000 1.159 567 A CA 1.435 53.391 52.037 -0.135 0.000 0.656 567 A CB -0.683 18.269 19.000 -0.079 0.000 0.800 567 A HN 1.153 nan 8.150 nan 0.000 0.453 568 A N -0.690 122.094 122.820 -0.061 0.000 2.577 568 A HA 0.304 4.671 4.320 0.079 0.000 0.280 568 A C 0.861 178.470 177.584 0.041 0.000 1.331 568 A CA 0.281 52.336 52.037 0.030 0.000 0.935 568 A CB -0.310 18.766 19.000 0.125 0.000 1.082 568 A HN 0.277 nan 8.150 nan 0.000 0.525 569 D N 0.392 120.796 120.400 0.007 0.000 2.228 569 D HA -0.166 4.521 4.640 0.079 0.000 0.203 569 D C 1.679 178.041 176.300 0.103 0.000 0.988 569 D CA 1.313 55.371 54.000 0.097 0.000 0.864 569 D CB 0.202 41.056 40.800 0.091 0.000 0.928 569 D HN 0.504 nan 8.370 nan 0.000 0.469 570 E N -0.298 119.937 120.200 0.058 0.000 2.107 570 E HA -0.059 4.338 4.350 0.079 0.000 0.191 570 E C 2.120 178.746 176.600 0.043 0.000 0.982 570 E CA 0.248 56.673 56.400 0.041 0.000 0.809 570 E CB 0.043 29.759 29.700 0.028 0.000 0.756 570 E HN 0.070 nan 8.360 nan 0.000 0.459 571 V N 0.439 120.390 119.914 0.063 0.000 2.548 571 V HA -0.190 3.977 4.120 0.079 0.000 0.249 571 V C 2.403 178.539 176.094 0.070 0.000 1.055 571 V CA 1.484 63.826 62.300 0.070 0.000 1.065 571 V CB -0.625 31.261 31.823 0.106 0.000 0.681 571 V HN 0.331 nan 8.190 nan 0.000 0.462 572 V N -1.682 118.287 119.914 0.092 0.000 2.488 572 V HA -0.094 4.074 4.120 0.079 0.000 0.246 572 V C 2.134 178.251 176.094 0.038 0.000 1.046 572 V CA 1.528 63.880 62.300 0.087 0.000 1.053 572 V CB -0.673 31.254 31.823 0.173 0.000 0.679 572 V HN 0.404 nan 8.190 nan 0.000 0.458 573 I N 0.744 121.325 120.570 0.018 0.000 2.252 573 I HA -0.168 4.049 4.170 0.079 0.000 0.245 573 I C 2.729 178.831 176.117 -0.026 0.000 1.102 573 I CA 2.136 63.412 61.300 -0.041 0.000 1.385 573 I CB -0.323 37.635 38.000 -0.070 0.000 1.064 573 I HN 0.405 nan 8.210 nan 0.000 0.414 574 E N 1.457 121.653 120.200 -0.007 0.000 2.110 574 E HA -0.199 4.198 4.350 0.079 0.000 0.193 574 E C 2.095 178.688 176.600 -0.012 0.000 0.988 574 E CA 1.592 57.987 56.400 -0.008 0.000 0.804 574 E CB -0.134 29.567 29.700 0.003 0.000 0.745 574 E HN 0.411 nan 8.360 nan 0.000 0.458 575 A N -0.017 122.799 122.820 -0.007 0.000 1.902 575 A HA -0.215 4.152 4.320 0.079 0.000 0.217 575 A C 2.562 180.125 177.584 -0.035 0.000 1.181 575 A CA 1.562 53.588 52.037 -0.018 0.000 0.623 575 A CB -1.088 17.903 19.000 -0.014 0.000 0.818 575 A HN 0.519 nan 8.150 nan 0.000 0.443 576 C N -0.168 119.109 119.300 -0.038 0.000 2.413 576 C HA -0.099 4.408 4.460 0.079 0.000 0.277 576 C C 2.657 177.618 174.990 -0.049 0.000 1.265 576 C CA 1.065 60.053 59.018 -0.051 0.000 1.752 576 C CB -1.518 26.194 27.740 -0.047 0.000 1.998 576 C HN 0.630 nan 8.230 nan 0.000 0.489 577 N N 1.024 119.701 118.700 -0.038 0.000 2.084 577 N HA -0.124 4.663 4.740 0.079 0.000 0.190 577 N C 1.613 177.103 175.510 -0.034 0.000 1.030 577 N CA 1.317 54.347 53.050 -0.034 0.000 0.849 577 N CB -0.521 37.950 38.487 -0.026 0.000 1.012 577 N HN 0.640 nan 8.380 nan 0.000 0.423 578 E N 0.267 120.448 120.200 -0.032 0.000 2.204 578 E HA -0.032 4.365 4.350 0.079 0.000 0.195 578 E C 1.270 177.846 176.600 -0.039 0.000 0.990 578 E CA 0.567 56.949 56.400 -0.030 0.000 0.821 578 E CB 0.042 29.726 29.700 -0.025 0.000 0.750 578 E HN 0.333 nan 8.360 nan 0.000 0.477 579 L N -0.707 120.486 121.223 -0.050 0.000 2.640 579 L HA 0.249 4.637 4.340 0.079 0.000 0.230 579 L C 1.138 177.960 176.870 -0.080 0.000 1.123 579 L CA 0.144 54.947 54.840 -0.063 0.000 0.900 579 L CB 0.367 42.385 42.059 -0.068 0.000 1.146 579 L HN 0.235 nan 8.230 nan 0.000 0.484 580 G N 1.095 109.850 108.800 -0.074 0.000 2.153 580 G HA2 -0.248 3.759 3.960 0.079 0.000 0.252 580 G HA3 -0.248 3.759 3.960 0.079 0.000 0.252 580 G C 0.278 175.103 174.900 -0.124 0.000 0.994 580 G CA -0.202 44.846 45.100 -0.087 0.000 0.698 580 G HN 0.226 nan 8.290 nan 0.000 0.521 581 I N 1.626 122.126 120.570 -0.117 0.000 2.395 581 I HA 0.216 4.433 4.170 0.079 0.000 0.289 581 I C 0.785 176.855 176.117 -0.078 0.000 1.023 581 I CA 0.009 61.225 61.300 -0.139 0.000 1.350 581 I CB 0.902 38.832 38.000 -0.116 0.000 1.409 581 I HN -0.014 nan 8.210 nan 0.000 0.507 582 T N 7.622 122.145 114.554 -0.050 0.000 2.737 582 T HA 0.317 4.714 4.350 0.079 0.000 0.296 582 T C -0.136 174.591 174.700 0.045 0.000 0.922 582 T CA -0.232 61.894 62.100 0.044 0.000 1.079 582 T CB 0.536 69.511 68.868 0.179 0.000 0.892 582 T HN 0.309 nan 8.240 nan 0.000 0.514 583 L N 5.618 126.849 121.223 0.015 0.000 2.313 583 L HA 0.661 5.049 4.340 0.079 0.000 0.283 583 L C -1.031 175.849 176.870 0.016 0.000 1.013 583 L CA -0.562 54.288 54.840 0.017 0.000 0.816 583 L CB 0.861 42.900 42.059 -0.033 0.000 1.236 583 L HN 0.576 nan 8.230 nan 0.000 0.419 584 I N 4.790 125.412 120.570 0.086 0.000 2.354 584 I HA 0.342 4.559 4.170 0.079 0.000 0.292 584 I C -0.330 175.916 176.117 0.215 0.000 0.989 584 I CA -0.366 61.014 61.300 0.133 0.000 1.188 584 I CB 1.076 39.200 38.000 0.207 0.000 1.342 584 I HN 0.584 nan 8.210 nan 0.000 0.457 585 H N 4.032 123.140 119.070 0.064 0.000 2.488 585 H HA 0.403 5.006 4.556 0.079 0.000 0.322 585 H C -0.062 175.276 175.328 0.017 0.000 1.078 585 H CA -0.599 55.470 56.048 0.036 0.000 1.260 585 H CB 1.571 31.347 29.762 0.023 0.000 1.425 585 H HN 0.654 nan 8.280 nan 0.000 0.471 586 T N -0.014 114.579 114.554 0.064 0.000 2.919 586 T HA 0.126 4.524 4.350 0.079 0.000 0.282 586 T C 0.658 175.321 174.700 -0.062 0.000 1.020 586 T CA -0.922 61.174 62.100 -0.007 0.000 0.994 586 T CB 1.505 70.353 68.868 -0.033 0.000 1.180 586 T HN 0.443 nan 8.240 nan 0.000 0.566 587 N N -0.751 117.908 118.700 -0.069 0.000 2.204 587 N HA 0.246 5.033 4.740 0.079 0.000 0.219 587 N C -0.887 174.564 175.510 -0.098 0.000 1.151 587 N CA -0.316 52.684 53.050 -0.083 0.000 0.867 587 N CB -0.210 38.236 38.487 -0.067 0.000 1.043 587 N HN 0.517 nan 8.380 nan 0.000 0.516 588 L N 1.438 122.597 121.223 -0.106 0.000 2.283 588 L HA 0.439 4.826 4.340 0.079 0.000 0.281 588 L C -0.018 176.761 176.870 -0.152 0.000 1.033 588 L CA -0.428 54.340 54.840 -0.120 0.000 0.848 588 L CB 0.418 42.408 42.059 -0.115 0.000 1.226 588 L HN -0.050 nan 8.230 nan 0.000 0.429 589 R N 4.202 124.588 120.500 -0.189 0.000 2.459 589 R HA 0.528 4.915 4.340 0.079 0.000 0.281 589 R C -0.618 175.537 176.300 -0.241 0.000 1.050 589 R CA -0.444 55.488 56.100 -0.280 0.000 1.055 589 R CB 0.703 30.751 30.300 -0.420 0.000 1.045 589 R HN 0.776 nan 8.270 nan 0.000 0.495 590 L N 5.027 126.114 121.223 -0.228 0.000 3.193 590 L HA 0.315 4.703 4.340 0.079 0.000 0.305 590 L C -0.771 176.123 176.870 0.040 0.000 1.299 590 L CA -0.595 54.176 54.840 -0.115 0.000 0.904 590 L CB 0.193 42.182 42.059 -0.116 0.000 1.331 590 L HN 0.489 nan 8.230 nan 0.000 0.588 591 F N 0.330 120.234 119.950 -0.076 0.000 2.553 591 F HA 0.173 4.746 4.527 0.075 0.000 0.356 591 F C 0.715 176.485 175.800 -0.051 0.000 1.142 591 F CA -0.075 57.879 58.000 -0.078 0.000 1.322 591 F CB 0.023 39.017 39.000 -0.010 0.000 1.126 591 F HN 0.150 nan 8.300 nan 0.000 0.599 592 H N 2.712 121.700 119.070 -0.137 0.000 3.017 592 H HA 0.420 5.040 4.556 0.107 0.000 0.340 592 H C -1.139 173.954 175.328 -0.390 0.000 1.014 592 H CA -0.380 55.573 56.048 -0.158 0.000 1.341 592 H CB 0.575 30.271 29.762 -0.109 0.000 1.739 592 H HN 0.562 nan 8.280 nan 0.000 0.506 593 H N 0.000 118.931 119.070 -0.231 0.000 2.539 593 H HA 0.000 4.591 4.556 0.059 0.000 0.296 593 H CA 0.000 55.922 56.048 -0.211 0.000 1.023 593 H CB 0.000 29.706 29.762 -0.094 0.000 1.292 593 H HN 0.000 nan 8.280 nan 0.000 0.496