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 1thz_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 0.000 176.302 176.300 0.004 0.000 0.893 4 R CA 0.000 56.105 56.100 0.007 0.000 0.921 4 R CB 0.000 30.308 30.300 0.014 0.000 0.687 5 Q N 2.954 122.754 119.800 0.001 0.000 2.364 5 Q HA 0.138 4.471 4.340 -0.011 0.000 0.267 5 Q C -0.737 175.259 176.000 -0.007 0.000 0.999 5 Q CA 0.262 56.061 55.803 -0.007 0.000 0.886 5 Q CB 0.881 29.612 28.738 -0.011 0.000 1.243 5 Q HN 0.665 nan 8.270 nan 0.000 0.415 6 Q N 2.228 122.019 119.800 -0.014 0.000 2.193 6 Q HA 0.535 4.868 4.340 -0.011 0.000 0.246 6 Q C -0.786 175.196 176.000 -0.031 0.000 0.959 6 Q CA -0.590 55.203 55.803 -0.017 0.000 0.904 6 Q CB 1.370 30.099 28.738 -0.015 0.000 1.238 6 Q HN 0.588 nan 8.270 nan 0.000 0.469 7 L N 0.142 121.343 121.223 -0.036 0.000 2.313 7 L HA 0.843 5.176 4.340 -0.011 0.000 0.268 7 L C -0.688 176.145 176.870 -0.062 0.000 1.010 7 L CA -1.112 53.698 54.840 -0.051 0.000 0.814 7 L CB 1.594 43.622 42.059 -0.053 0.000 1.304 7 L HN 0.575 nan 8.230 nan 0.000 0.441 8 A N 2.094 124.868 122.820 -0.077 0.000 2.332 8 A HA 0.708 5.022 4.320 -0.011 0.000 0.300 8 A C -0.929 176.608 177.584 -0.079 0.000 1.153 8 A CA -0.409 51.576 52.037 -0.088 0.000 0.764 8 A CB 0.643 19.562 19.000 -0.134 0.000 1.174 8 A HN 0.584 nan 8.150 nan 0.000 0.467 9 L N 2.958 124.141 121.223 -0.067 0.000 2.275 9 L HA 0.566 4.900 4.340 -0.011 0.000 0.288 9 L C -1.075 175.769 176.870 -0.044 0.000 1.046 9 L CA -0.595 54.207 54.840 -0.064 0.000 0.805 9 L CB 1.202 43.214 42.059 -0.078 0.000 1.193 9 L HN 0.568 nan 8.230 nan 0.000 0.426 10 L N 3.005 124.206 121.223 -0.037 0.000 2.385 10 L HA 0.594 4.928 4.340 -0.011 0.000 0.273 10 L C -0.087 176.780 176.870 -0.005 0.000 0.990 10 L CA -0.097 54.735 54.840 -0.013 0.000 0.821 10 L CB 1.991 44.037 42.059 -0.021 0.000 1.279 10 L HN 0.511 nan 8.230 nan 0.000 0.412 11 S N 2.382 118.090 115.700 0.013 0.000 2.446 11 S HA 0.653 5.117 4.470 -0.011 0.000 0.230 11 S C -1.181 173.440 174.600 0.035 0.000 1.051 11 S CA -0.539 57.671 58.200 0.016 0.000 1.113 11 S CB 0.597 63.799 63.200 0.004 0.000 1.184 11 S HN 0.545 nan 8.310 nan 0.000 0.435 12 V N 2.369 122.314 119.914 0.051 0.000 2.735 12 V HA 0.777 4.890 4.120 -0.011 0.000 0.310 12 V C 1.086 177.227 176.094 0.077 0.000 1.061 12 V CA -0.247 62.097 62.300 0.073 0.000 0.913 12 V CB 1.307 33.194 31.823 0.106 0.000 1.005 12 V HN 0.613 nan 8.190 nan 0.000 0.428 13 S N 1.717 117.476 115.700 0.098 0.000 2.336 13 S HA -0.028 4.435 4.470 -0.011 0.000 0.216 13 S C 0.959 175.634 174.600 0.125 0.000 1.032 13 S CA 1.285 59.561 58.200 0.127 0.000 0.973 13 S CB -0.226 63.099 63.200 0.210 0.000 0.888 13 S HN 1.014 nan 8.310 nan 0.000 0.455 14 E N 1.402 121.673 120.200 0.118 0.000 2.180 14 E HA 0.239 4.583 4.350 -0.011 0.000 0.283 14 E C -0.242 176.414 176.600 0.094 0.000 1.061 14 E CA 0.225 56.681 56.400 0.093 0.000 0.861 14 E CB 0.845 30.580 29.700 0.059 0.000 1.056 14 E HN 0.311 nan 8.360 nan 0.000 0.407 15 K N 2.983 123.438 120.400 0.091 0.000 2.399 15 K HA 0.350 4.663 4.320 -0.011 0.000 0.204 15 K C -0.089 176.582 176.600 0.119 0.000 1.023 15 K CA -0.142 56.209 56.287 0.107 0.000 1.127 15 K CB 0.793 33.340 32.500 0.078 0.000 0.856 15 K HN 0.497 nan 8.250 nan 0.000 0.514 16 A N 0.649 123.527 122.820 0.098 0.000 2.477 16 A HA 0.411 4.725 4.320 -0.011 0.000 0.246 16 A C 1.330 179.021 177.584 0.177 0.000 1.078 16 A CA 0.737 52.828 52.037 0.090 0.000 0.770 16 A CB -0.347 18.674 19.000 0.035 0.000 1.011 16 A HN 0.542 nan 8.150 nan 0.000 0.494 17 G N 0.997 109.908 108.800 0.185 0.000 2.196 17 G HA2 -0.278 3.676 3.960 -0.011 0.000 0.268 17 G HA3 -0.278 3.676 3.960 -0.011 0.000 0.268 17 G C 0.840 175.930 174.900 0.317 0.000 0.975 17 G CA 0.976 46.257 45.100 0.302 0.000 0.648 17 G HN 1.587 nan 8.290 nan 0.000 0.538 18 L N 0.860 122.228 121.223 0.242 0.000 1.976 18 L HA 0.054 4.388 4.340 -0.011 0.000 0.209 18 L C 2.866 179.745 176.870 0.015 0.000 1.071 18 L CA 2.870 57.770 54.840 0.101 0.000 0.746 18 L CB -0.895 41.229 42.059 0.109 0.000 0.890 18 L HN 0.262 nan 8.230 nan 0.000 0.432 19 V N 0.806 120.739 119.914 0.033 0.000 2.287 19 V HA -0.314 3.800 4.120 -0.011 0.000 0.248 19 V C 2.673 178.764 176.094 -0.004 0.000 1.053 19 V CA 2.068 64.370 62.300 0.004 0.000 1.027 19 V CB -1.175 30.657 31.823 0.014 0.000 0.646 19 V HN 0.743 nan 8.190 nan 0.000 0.447 20 E N 0.257 120.478 120.200 0.034 0.000 2.110 20 E HA -0.251 4.092 4.350 -0.011 0.000 0.193 20 E C 1.991 178.622 176.600 0.051 0.000 0.988 20 E CA 1.738 58.166 56.400 0.046 0.000 0.804 20 E CB -0.652 29.098 29.700 0.083 0.000 0.745 20 E HN 0.502 nan 8.360 nan 0.000 0.458 21 F N 1.531 121.370 119.950 -0.185 0.000 2.206 21 F HA 0.233 4.755 4.527 -0.009 0.000 0.298 21 F C 2.277 177.933 175.800 -0.240 0.000 1.090 21 F CA 0.824 58.643 58.000 -0.301 0.000 1.323 21 F CB -0.621 37.885 39.000 -0.824 0.000 1.028 21 F HN 0.110 nan 8.300 nan 0.000 0.492 22 A N 0.509 123.160 122.820 -0.281 0.000 1.933 22 A HA -0.181 4.132 4.320 -0.011 0.000 0.218 22 A C 2.435 179.878 177.584 -0.234 0.000 1.175 22 A CA 1.595 53.451 52.037 -0.302 0.000 0.628 22 A CB -0.819 18.082 19.000 -0.164 0.000 0.814 22 A HN 0.416 nan 8.150 nan 0.000 0.444 23 R N -0.515 119.897 120.500 -0.147 0.000 2.081 23 R HA -0.114 4.220 4.340 -0.011 0.000 0.235 23 R C 2.471 178.697 176.300 -0.123 0.000 1.131 23 R CA 1.636 57.674 56.100 -0.103 0.000 0.960 23 R CB -0.293 29.974 30.300 -0.054 0.000 0.856 23 R HN 0.509 nan 8.270 nan 0.000 0.436 24 S N 0.169 115.781 115.700 -0.146 0.000 2.402 24 S HA -0.047 4.417 4.470 -0.011 0.000 0.229 24 S C 1.886 176.361 174.600 -0.208 0.000 1.021 24 S CA 0.857 58.975 58.200 -0.136 0.000 0.974 24 S CB -0.080 63.073 63.200 -0.079 0.000 0.800 24 S HN 0.346 nan 8.310 nan 0.000 0.484 25 L N 1.280 122.295 121.223 -0.347 0.000 2.109 25 L HA -0.011 4.323 4.340 -0.011 0.000 0.207 25 L C 2.496 179.248 176.870 -0.196 0.000 1.086 25 L CA 1.337 55.978 54.840 -0.332 0.000 0.760 25 L CB -0.652 41.126 42.059 -0.468 0.000 0.910 25 L HN 0.372 nan 8.230 nan 0.000 0.437 26 N N 0.577 119.174 118.700 -0.170 0.000 2.166 26 N HA -0.164 4.570 4.740 -0.011 0.000 0.186 26 N C 1.781 177.240 175.510 -0.086 0.000 1.019 26 N CA 1.359 54.341 53.050 -0.113 0.000 0.856 26 N CB -0.002 38.427 38.487 -0.097 0.000 0.993 26 N HN 0.261 nan 8.380 nan 0.000 0.426 27 A N 0.122 122.892 122.820 -0.084 0.000 2.067 27 A HA 0.009 4.323 4.320 -0.011 0.000 0.219 27 A C 2.058 179.611 177.584 -0.052 0.000 1.158 27 A CA 0.737 52.739 52.037 -0.058 0.000 0.661 27 A CB -0.567 18.403 19.000 -0.050 0.000 0.801 27 A HN 0.387 nan 8.150 nan 0.000 0.452 28 L N -1.765 119.418 121.223 -0.066 0.000 2.395 28 L HA 0.135 4.468 4.340 -0.011 0.000 0.218 28 L C 1.700 178.542 176.870 -0.046 0.000 1.130 28 L CA 0.730 55.538 54.840 -0.053 0.000 0.826 28 L CB -0.205 41.816 42.059 -0.063 0.000 0.941 28 L HN 0.584 nan 8.230 nan 0.000 0.451 29 G N 0.050 108.818 108.800 -0.054 0.000 2.154 29 G HA2 -0.191 3.763 3.960 -0.011 0.000 0.186 29 G HA3 -0.191 3.763 3.960 -0.011 0.000 0.186 29 G C -0.010 174.861 174.900 -0.049 0.000 1.000 29 G CA -0.578 44.496 45.100 -0.044 0.000 0.664 29 G HN 0.128 nan 8.290 nan 0.000 0.513 30 L N 1.188 122.370 121.223 -0.067 0.000 2.350 30 L HA 0.636 4.970 4.340 -0.011 0.000 0.275 30 L C 1.266 178.093 176.870 -0.072 0.000 1.099 30 L CA -0.325 54.473 54.840 -0.071 0.000 0.808 30 L CB 1.400 43.402 42.059 -0.095 0.000 1.149 30 L HN 0.173 nan 8.230 nan 0.000 0.442 31 G N 3.689 112.453 108.800 -0.059 0.000 2.355 31 G HA2 0.476 4.429 3.960 -0.011 0.000 0.276 31 G HA3 0.476 4.429 3.960 -0.011 0.000 0.276 31 G C -0.380 174.479 174.900 -0.067 0.000 1.198 31 G CA -0.594 44.472 45.100 -0.056 0.000 0.876 31 G HN 0.411 nan 8.290 nan 0.000 0.478 32 L N 3.267 124.448 121.223 -0.070 0.000 2.290 32 L HA 0.353 4.687 4.340 -0.011 0.000 0.284 32 L C -0.217 176.616 176.870 -0.061 0.000 1.078 32 L CA -0.644 54.151 54.840 -0.076 0.000 0.815 32 L CB 1.007 43.017 42.059 -0.081 0.000 1.162 32 L HN 0.208 nan 8.230 nan 0.000 0.435 33 I N 3.059 123.592 120.570 -0.062 0.000 2.465 33 I HA 0.788 4.952 4.170 -0.011 0.000 0.291 33 I C 0.074 176.161 176.117 -0.049 0.000 1.014 33 I CA -0.341 60.926 61.300 -0.055 0.000 1.093 33 I CB 1.485 39.447 38.000 -0.063 0.000 1.267 33 I HN 0.741 nan 8.210 nan 0.000 0.431 34 A N 4.496 127.293 122.820 -0.039 0.000 2.566 34 A HA 0.864 5.178 4.320 -0.011 0.000 0.290 34 A C -0.854 176.717 177.584 -0.021 0.000 1.071 34 A CA -0.362 51.658 52.037 -0.029 0.000 0.658 34 A CB 1.705 20.689 19.000 -0.027 0.000 1.285 34 A HN 0.757 nan 8.150 nan 0.000 0.427 35 S N -0.841 114.851 115.700 -0.013 0.000 2.685 35 S HA 0.906 5.370 4.470 -0.011 0.000 0.282 35 S C 0.782 175.381 174.600 -0.002 0.000 1.159 35 S CA 0.349 58.545 58.200 -0.008 0.000 0.833 35 S CB 0.708 63.905 63.200 -0.005 0.000 1.151 35 S HN 2.834 nan 8.310 nan 0.000 0.485 36 G N 0.962 109.762 108.800 -0.000 0.000 2.627 36 G HA2 -0.176 3.778 3.960 -0.011 0.000 0.312 36 G HA3 -0.176 3.778 3.960 -0.011 0.000 0.312 36 G C 1.066 175.967 174.900 0.001 0.000 1.299 36 G CA 0.808 45.909 45.100 0.001 0.000 0.989 36 G HN 1.903 nan 8.290 nan 0.000 0.547 37 G N -1.548 107.254 108.800 0.002 0.000 2.440 37 G HA2 -0.032 3.922 3.960 -0.011 0.000 0.218 37 G HA3 -0.032 3.922 3.960 -0.011 0.000 0.218 37 G C 1.886 176.791 174.900 0.008 0.000 1.154 37 G CA 2.452 47.555 45.100 0.004 0.000 0.767 37 G HN 1.074 nan 8.290 nan 0.000 0.552 38 T N 1.520 116.080 114.554 0.010 0.000 2.746 38 T HA 0.033 4.377 4.350 -0.011 0.000 0.267 38 T C 2.822 177.523 174.700 0.002 0.000 1.039 38 T CA 1.514 63.621 62.100 0.012 0.000 1.142 38 T CB -0.358 68.519 68.868 0.014 0.000 0.866 38 T HN 0.390 nan 8.240 nan 0.000 0.444 39 A N 1.415 124.233 122.820 -0.003 0.000 1.877 39 A HA -0.131 4.183 4.320 -0.011 0.000 0.216 39 A C 2.570 180.150 177.584 -0.007 0.000 1.186 39 A CA 2.123 54.154 52.037 -0.009 0.000 0.620 39 A CB -1.351 17.642 19.000 -0.010 0.000 0.822 39 A HN 0.462 nan 8.150 nan 0.000 0.443 40 T N 0.472 115.024 114.554 -0.003 0.000 2.699 40 T HA -0.107 4.237 4.350 -0.011 0.000 0.268 40 T C 2.136 176.835 174.700 -0.001 0.000 1.036 40 T CA 1.743 63.841 62.100 -0.002 0.000 1.147 40 T CB -0.461 68.407 68.868 -0.000 0.000 0.862 40 T HN 0.615 nan 8.240 nan 0.000 0.446 41 A N 0.779 123.601 122.820 0.003 0.000 1.969 41 A HA 0.084 4.397 4.320 -0.011 0.000 0.218 41 A C 2.260 179.844 177.584 -0.000 0.000 1.169 41 A CA 1.010 53.050 52.037 0.006 0.000 0.635 41 A CB -0.603 18.406 19.000 0.015 0.000 0.810 41 A HN 0.492 nan 8.150 nan 0.000 0.445 42 L N -1.619 119.600 121.223 -0.007 0.000 2.162 42 L HA -0.048 4.286 4.340 -0.011 0.000 0.205 42 L C 2.817 179.677 176.870 -0.016 0.000 1.086 42 L CA 0.798 55.628 54.840 -0.017 0.000 0.778 42 L CB -0.472 41.571 42.059 -0.027 0.000 0.928 42 L HN 0.315 nan 8.230 nan 0.000 0.446 43 R N 0.350 120.842 120.500 -0.013 0.000 2.070 43 R HA -0.138 4.195 4.340 -0.011 0.000 0.233 43 R C 1.604 177.898 176.300 -0.009 0.000 1.137 43 R CA 1.492 57.585 56.100 -0.012 0.000 0.945 43 R CB -0.342 29.952 30.300 -0.010 0.000 0.845 43 R HN 0.334 nan 8.270 nan 0.000 0.430 44 D N 0.186 120.583 120.400 -0.006 0.000 2.403 44 D HA -0.087 4.547 4.640 -0.011 0.000 0.227 44 D C 1.029 177.327 176.300 -0.003 0.000 0.995 44 D CA 0.783 54.781 54.000 -0.003 0.000 0.928 44 D CB 0.185 40.985 40.800 -0.000 0.000 0.887 44 D HN 0.290 nan 8.370 nan 0.000 0.529 45 A N -0.472 122.345 122.820 -0.006 0.000 2.348 45 A HA 0.465 4.779 4.320 -0.011 0.000 0.224 45 A C 1.795 179.373 177.584 -0.011 0.000 1.227 45 A CA 0.724 52.757 52.037 -0.007 0.000 0.885 45 A CB 0.266 19.261 19.000 -0.008 0.000 0.933 45 A HN 0.184 nan 8.150 nan 0.000 0.506 46 G N -0.860 107.933 108.800 -0.012 0.000 2.159 46 G HA2 -0.215 3.739 3.960 -0.011 0.000 0.256 46 G HA3 -0.215 3.739 3.960 -0.011 0.000 0.256 46 G C 0.125 175.013 174.900 -0.019 0.000 0.977 46 G CA 0.375 45.467 45.100 -0.014 0.000 0.652 46 G HN 0.428 nan 8.290 nan 0.000 0.531 47 L N 1.032 122.241 121.223 -0.024 0.000 2.395 47 L HA 0.427 4.761 4.340 -0.011 0.000 0.269 47 L C -1.780 175.071 176.870 -0.032 0.000 1.133 47 L CA -1.995 52.825 54.840 -0.032 0.000 0.812 47 L CB 0.928 42.962 42.059 -0.042 0.000 1.125 47 L HN -0.097 nan 8.230 nan 0.000 0.452 48 P HA 0.181 nan 4.420 nan 0.000 0.281 48 P C -1.036 176.241 177.300 -0.038 0.000 1.286 48 P CA -0.012 63.069 63.100 -0.033 0.000 0.772 48 P CB 1.185 32.866 31.700 -0.033 0.000 0.862 49 V N 4.948 124.842 119.914 -0.033 0.000 2.888 49 V HA 0.565 4.679 4.120 -0.011 0.000 0.309 49 V C -1.115 174.961 176.094 -0.030 0.000 1.114 49 V CA -0.866 61.413 62.300 -0.036 0.000 0.940 49 V CB 2.299 34.101 31.823 -0.035 0.000 1.021 49 V HN 0.374 nan 8.190 nan 0.000 0.426 50 R N 3.449 123.930 120.500 -0.032 0.000 2.637 50 R HA 0.479 4.812 4.340 -0.011 0.000 0.291 50 R C -1.167 175.115 176.300 -0.029 0.000 0.963 50 R CA -0.776 55.307 56.100 -0.028 0.000 0.901 50 R CB 2.065 32.348 30.300 -0.028 0.000 1.160 50 R HN 0.872 nan 8.270 nan 0.000 0.457 51 D N 0.557 120.942 120.400 -0.025 0.000 2.372 51 D HA -0.017 4.617 4.640 -0.011 0.000 0.243 51 D C 1.583 177.864 176.300 -0.032 0.000 1.121 51 D CA -0.164 53.822 54.000 -0.024 0.000 0.898 51 D CB 1.354 42.144 40.800 -0.016 0.000 1.202 51 D HN 0.325 nan 8.370 nan 0.000 0.428 52 V N 0.766 120.659 119.914 -0.035 0.000 2.453 52 V HA -0.219 3.895 4.120 -0.011 0.000 0.252 52 V C 1.835 177.896 176.094 -0.055 0.000 1.068 52 V CA 1.870 64.140 62.300 -0.051 0.000 1.070 52 V CB -0.801 30.994 31.823 -0.046 0.000 0.664 52 V HN 0.486 nan 8.190 nan 0.000 0.461 53 S N 0.705 116.386 115.700 -0.032 0.000 2.399 53 S HA -0.193 4.271 4.470 -0.011 0.000 0.231 53 S C 1.572 176.152 174.600 -0.033 0.000 1.022 53 S CA 1.796 59.982 58.200 -0.023 0.000 0.983 53 S CB -0.583 62.616 63.200 -0.000 0.000 0.803 53 S HN 0.734 nan 8.310 nan 0.000 0.480 54 D N 1.063 121.444 120.400 -0.031 0.000 2.144 54 D HA -0.030 4.603 4.640 -0.011 0.000 0.200 54 D C 1.779 178.061 176.300 -0.031 0.000 0.978 54 D CA 0.411 54.397 54.000 -0.024 0.000 0.833 54 D CB -0.303 40.485 40.800 -0.021 0.000 0.961 54 D HN 0.184 nan 8.370 nan 0.000 0.470 55 L N 0.410 121.599 121.223 -0.057 0.000 2.027 55 L HA -0.112 4.222 4.340 -0.011 0.000 0.206 55 L C 2.335 179.135 176.870 -0.116 0.000 1.074 55 L CA 1.935 56.727 54.840 -0.079 0.000 0.745 55 L CB -0.903 41.088 42.059 -0.113 0.000 0.898 55 L HN 0.195 nan 8.230 nan 0.000 0.433 56 T N -4.574 109.863 114.554 -0.195 0.000 3.009 56 T HA 0.204 4.547 4.350 -0.011 0.000 0.258 56 T C 1.588 176.189 174.700 -0.164 0.000 1.063 56 T CA 0.547 62.410 62.100 -0.396 0.000 1.139 56 T CB -0.280 68.145 68.868 -0.737 0.000 0.890 56 T HN 0.550 nan 8.240 nan 0.000 0.471 57 G N 0.989 109.757 108.800 -0.053 0.000 2.155 57 G HA2 -0.238 3.716 3.960 -0.011 0.000 0.257 57 G HA3 -0.238 3.716 3.960 -0.011 0.000 0.257 57 G C -0.132 174.796 174.900 0.048 0.000 0.983 57 G CA 0.182 45.290 45.100 0.014 0.000 0.676 57 G HN 0.653 nan 8.290 nan 0.000 0.528 58 F N 2.825 122.711 119.950 -0.107 0.000 2.385 58 F HA 0.610 5.131 4.527 -0.010 0.000 0.336 58 F C -1.068 174.722 175.800 -0.017 0.000 1.100 58 F CA -2.103 55.875 58.000 -0.036 0.000 1.116 58 F CB 1.155 40.137 39.000 -0.029 0.000 1.166 58 F HN 0.011 nan 8.300 nan 0.000 0.511 59 P HA 0.004 nan 4.420 nan 0.000 0.269 59 P C -0.761 176.552 177.300 0.021 0.000 1.209 59 P CA -0.152 62.823 63.100 -0.209 0.000 0.776 59 P CB 0.792 32.296 31.700 -0.327 0.000 0.876 60 E N 2.801 123.019 120.200 0.031 0.000 2.888 60 E HA 0.022 4.366 4.350 -0.011 0.000 0.271 60 E C 0.752 177.398 176.600 0.076 0.000 1.527 60 E CA -0.141 56.301 56.400 0.070 0.000 1.700 60 E CB -1.310 28.411 29.700 0.035 0.000 1.410 60 E HN 0.388 nan 8.360 nan 0.000 0.445 61 M N -0.957 118.713 119.600 0.117 0.000 2.219 61 M HA 0.105 4.579 4.480 -0.011 0.000 0.307 61 M C 0.374 176.731 176.300 0.095 0.000 1.116 61 M CA -0.087 55.276 55.300 0.104 0.000 1.181 61 M CB 0.329 33.018 32.600 0.147 0.000 1.410 61 M HN 0.134 nan 8.290 nan 0.000 0.454 62 L N 1.062 122.329 121.223 0.073 0.000 3.678 62 L HA -0.250 4.084 4.340 -0.011 0.000 0.425 62 L C 0.948 177.851 176.870 0.054 0.000 1.240 62 L CA 0.772 55.649 54.840 0.062 0.000 0.876 62 L CB -2.710 39.390 42.059 0.068 0.000 1.766 62 L HN 1.327 nan 8.230 nan 0.000 0.917 63 G N -1.155 107.673 108.800 0.047 0.000 2.203 63 G HA2 -0.002 3.952 3.960 -0.011 0.000 0.263 63 G HA3 -0.002 3.952 3.960 -0.011 0.000 0.263 63 G C 1.128 176.054 174.900 0.042 0.000 1.012 63 G CA 0.759 45.883 45.100 0.039 0.000 0.749 63 G HN 1.931 nan 8.290 nan 0.000 0.512 64 G N -1.358 107.474 108.800 0.054 0.000 2.157 64 G HA2 -0.293 3.661 3.960 -0.011 0.000 0.239 64 G HA3 -0.293 3.661 3.960 -0.011 0.000 0.239 64 G C 1.037 175.971 174.900 0.056 0.000 0.982 64 G CA 1.091 46.224 45.100 0.055 0.000 0.650 64 G HN 0.919 nan 8.290 nan 0.000 0.527 65 R N -0.609 119.926 120.500 0.058 0.000 2.241 65 R HA 0.141 4.475 4.340 -0.011 0.000 0.224 65 R C 1.590 177.922 176.300 0.053 0.000 1.101 65 R CA 1.446 57.579 56.100 0.055 0.000 0.995 65 R CB 0.056 30.389 30.300 0.056 0.000 0.870 65 R HN 0.437 nan 8.270 nan 0.000 0.463 66 V N 0.099 120.049 119.914 0.060 0.000 3.159 66 V HA 0.062 4.176 4.120 -0.011 0.000 0.333 66 V C 1.083 177.203 176.094 0.044 0.000 1.424 66 V CA -0.081 62.245 62.300 0.043 0.000 1.125 66 V CB 0.609 32.449 31.823 0.028 0.000 1.075 66 V HN 0.137 nan 8.190 nan 0.000 0.482 67 K N 1.318 121.753 120.400 0.059 0.000 2.113 67 K HA -0.200 4.114 4.320 -0.011 0.000 0.208 67 K C 2.053 178.673 176.600 0.032 0.000 1.047 67 K CA 2.081 58.401 56.287 0.055 0.000 0.928 67 K CB -0.201 32.325 32.500 0.043 0.000 0.716 67 K HN 0.679 nan 8.250 nan 0.000 0.446 68 T N -1.558 113.020 114.554 0.040 0.000 3.060 68 T HA 0.149 4.493 4.350 -0.011 0.000 0.249 68 T C 0.864 175.645 174.700 0.135 0.000 1.079 68 T CA -0.136 61.992 62.100 0.046 0.000 1.013 68 T CB -0.012 68.874 68.868 0.030 0.000 0.975 68 T HN -0.019 nan 8.240 nan 0.000 0.518 69 L N 2.941 124.228 121.223 0.107 0.000 2.480 69 L HA 0.404 4.738 4.340 -0.011 0.000 0.243 69 L C 0.208 177.109 176.870 0.051 0.000 1.315 69 L CA -0.329 54.562 54.840 0.085 0.000 1.231 69 L CB -0.554 41.503 42.059 -0.004 0.000 1.444 69 L HN 0.384 nan 8.230 nan 0.000 0.409 70 H N 0.791 119.872 119.070 0.019 0.000 2.930 70 H HA 0.274 4.823 4.556 -0.011 0.000 0.371 70 H C -2.332 172.975 175.328 -0.035 0.000 1.169 70 H CA -1.620 54.380 56.048 -0.079 0.000 1.157 70 H CB 3.073 32.747 29.762 -0.146 0.000 1.789 70 H HN -0.083 nan 8.280 nan 0.000 0.547 71 P HA -0.107 nan 4.420 nan 0.000 0.218 71 P C 1.072 178.239 177.300 -0.223 0.000 1.148 71 P CA 2.107 65.164 63.100 -0.071 0.000 0.822 71 P CB 0.080 31.766 31.700 -0.023 0.000 0.784 72 A N -0.951 121.695 122.820 -0.289 0.000 1.972 72 A HA -0.136 4.178 4.320 -0.011 0.000 0.219 72 A C 2.243 179.506 177.584 -0.534 0.000 1.169 72 A CA 1.677 53.064 52.037 -1.083 0.000 0.635 72 A CB -1.475 17.104 19.000 -0.702 0.000 0.810 72 A HN 0.065 nan 8.150 nan 0.000 0.446 73 V N -1.108 118.655 119.914 -0.251 0.000 2.331 73 V HA -0.116 3.998 4.120 -0.011 0.000 0.242 73 V C 2.300 178.196 176.094 -0.329 0.000 1.034 73 V CA 1.582 63.722 62.300 -0.268 0.000 1.027 73 V CB -0.899 30.776 31.823 -0.246 0.000 0.667 73 V HN 0.641 nan 8.190 nan 0.000 0.457 74 H N 0.062 119.080 119.070 -0.087 0.000 2.470 74 H HA 0.100 4.649 4.556 -0.011 0.000 0.289 74 H C 2.317 177.623 175.328 -0.037 0.000 1.033 74 H CA 1.371 57.387 56.048 -0.052 0.000 1.331 74 H CB -0.020 29.719 29.762 -0.039 0.000 1.414 74 H HN 0.444 nan 8.280 nan 0.000 0.545 75 A N 0.846 123.683 122.820 0.028 0.000 1.930 75 A HA -0.066 4.248 4.320 -0.011 0.000 0.217 75 A C 2.771 180.378 177.584 0.037 0.000 1.175 75 A CA 1.379 53.459 52.037 0.071 0.000 0.627 75 A CB -0.965 18.142 19.000 0.179 0.000 0.815 75 A HN 0.436 nan 8.150 nan 0.000 0.443 76 G N -0.274 108.499 108.800 -0.045 0.000 2.443 76 G HA2 -0.108 3.846 3.960 -0.011 0.000 0.219 76 G HA3 -0.108 3.846 3.960 -0.011 0.000 0.219 76 G C 1.446 176.327 174.900 -0.032 0.000 1.131 76 G CA 1.127 46.206 45.100 -0.036 0.000 0.775 76 G HN 0.497 nan 8.290 nan 0.000 0.547 77 I N -0.301 120.238 120.570 -0.051 0.000 2.494 77 I HA 0.103 4.267 4.170 -0.011 0.000 0.250 77 I C 2.247 178.369 176.117 0.010 0.000 1.112 77 I CA 0.457 61.735 61.300 -0.036 0.000 1.438 77 I CB 0.031 37.986 38.000 -0.076 0.000 1.111 77 I HN 0.061 nan 8.210 nan 0.000 0.431 78 L N 0.744 121.988 121.223 0.036 0.000 2.509 78 L HA 0.210 4.543 4.340 -0.011 0.000 0.222 78 L C 1.325 178.219 176.870 0.040 0.000 1.123 78 L CA -0.379 54.491 54.840 0.049 0.000 0.856 78 L CB -0.365 41.737 42.059 0.073 0.000 0.985 78 L HN 0.086 nan 8.230 nan 0.000 0.456 79 A N 0.856 123.701 122.820 0.041 0.000 2.483 79 A HA 0.382 4.696 4.320 -0.011 0.000 0.238 79 A C 0.083 177.681 177.584 0.024 0.000 1.070 79 A CA -0.001 52.060 52.037 0.040 0.000 0.770 79 A CB 0.137 19.170 19.000 0.054 0.000 1.008 79 A HN 0.253 nan 8.150 nan 0.000 0.497 80 R N 0.874 121.386 120.500 0.019 0.000 2.720 80 R HA 0.364 4.698 4.340 -0.011 0.000 0.272 80 R C -0.190 176.115 176.300 0.009 0.000 0.991 80 R CA -0.779 55.326 56.100 0.008 0.000 1.010 80 R CB 0.490 30.791 30.300 0.002 0.000 1.141 80 R HN 0.691 nan 8.270 nan 0.000 0.494 81 N N 2.392 121.094 118.700 0.004 0.000 2.895 81 N HA 0.146 4.880 4.740 -0.011 0.000 0.277 81 N C -0.992 174.520 175.510 0.004 0.000 1.185 81 N CA -0.165 52.888 53.050 0.005 0.000 1.106 81 N CB -0.340 38.149 38.487 0.003 0.000 1.422 81 N HN 0.556 nan 8.380 nan 0.000 0.521 82 I N -1.814 118.760 120.570 0.006 0.000 2.894 82 I HA 0.533 4.696 4.170 -0.011 0.000 0.302 82 I C -2.194 173.927 176.117 0.006 0.000 1.188 82 I CA -2.499 58.804 61.300 0.005 0.000 1.014 82 I CB 2.196 40.199 38.000 0.004 0.000 1.242 82 I HN -0.106 nan 8.210 nan 0.000 0.430 83 P HA -0.200 nan 4.420 nan 0.000 0.217 83 P C 0.921 178.223 177.300 0.004 0.000 1.162 83 P CA 1.984 65.086 63.100 0.003 0.000 0.901 83 P CB 0.189 31.890 31.700 0.002 0.000 0.793 84 E N -0.580 119.623 120.200 0.004 0.000 2.038 84 E HA -0.195 4.149 4.350 -0.011 0.000 0.195 84 E C 1.818 178.423 176.600 0.008 0.000 1.000 84 E CA 1.624 58.026 56.400 0.005 0.000 0.803 84 E CB -1.097 28.606 29.700 0.005 0.000 0.750 84 E HN 0.295 nan 8.360 nan 0.000 0.448 85 D N 0.003 120.411 120.400 0.013 0.000 2.144 85 D HA -0.087 4.547 4.640 -0.011 0.000 0.199 85 D C 1.529 177.842 176.300 0.022 0.000 0.984 85 D CA 0.759 54.772 54.000 0.021 0.000 0.834 85 D CB -0.235 40.579 40.800 0.023 0.000 0.955 85 D HN 0.076 nan 8.370 nan 0.000 0.465 86 N N 0.187 118.896 118.700 0.016 0.000 2.244 86 N HA -0.071 4.663 4.740 -0.011 0.000 0.183 86 N C 1.622 177.136 175.510 0.008 0.000 1.016 86 N CA 0.968 54.028 53.050 0.015 0.000 0.866 86 N CB -0.103 38.390 38.487 0.011 0.000 0.980 86 N HN 0.130 nan 8.380 nan 0.000 0.430 87 A N 1.348 124.170 122.820 0.002 0.000 1.898 87 A HA -0.123 4.191 4.320 -0.011 0.000 0.216 87 A C 1.782 179.357 177.584 -0.015 0.000 1.181 87 A CA 1.422 53.455 52.037 -0.007 0.000 0.620 87 A CB -0.298 18.698 19.000 -0.006 0.000 0.819 87 A HN 0.113 nan 8.150 nan 0.000 0.442 88 D N -0.338 120.057 120.400 -0.009 0.000 2.117 88 D HA -0.123 4.510 4.640 -0.011 0.000 0.198 88 D C 1.990 178.267 176.300 -0.039 0.000 0.982 88 D CA 1.114 55.102 54.000 -0.021 0.000 0.828 88 D CB -0.330 40.472 40.800 0.003 0.000 0.967 88 D HN 0.268 nan 8.370 nan 0.000 0.464 89 M N 0.591 120.194 119.600 0.005 0.000 2.117 89 M HA -0.098 4.376 4.480 -0.011 0.000 0.262 89 M C 1.761 178.042 176.300 -0.032 0.000 1.065 89 M CA 1.032 56.349 55.300 0.029 0.000 1.114 89 M CB -1.198 31.452 32.600 0.083 0.000 1.361 89 M HN 0.094 nan 8.290 nan 0.000 0.408 90 N N 0.176 118.860 118.700 -0.026 0.000 2.084 90 N HA -0.197 4.537 4.740 -0.011 0.000 0.190 90 N C 1.780 177.245 175.510 -0.074 0.000 1.030 90 N CA 1.149 54.178 53.050 -0.035 0.000 0.849 90 N CB -0.105 38.370 38.487 -0.020 0.000 1.012 90 N HN 0.345 nan 8.380 nan 0.000 0.423 91 K N 0.846 121.195 120.400 -0.086 0.000 2.103 91 K HA -0.149 4.165 4.320 -0.011 0.000 0.207 91 K C 1.409 177.898 176.600 -0.184 0.000 1.048 91 K CA 1.173 57.396 56.287 -0.105 0.000 0.930 91 K CB 0.223 32.672 32.500 -0.085 0.000 0.716 91 K HN 0.135 nan 8.250 nan 0.000 0.444 92 Q N 0.441 120.053 119.800 -0.312 0.000 2.425 92 Q HA -0.053 4.280 4.340 -0.011 0.000 0.204 92 Q C -0.200 175.425 176.000 -0.626 0.000 0.933 92 Q CA 0.651 56.079 55.803 -0.626 0.000 0.939 92 Q CB 0.122 28.164 28.738 -1.160 0.000 1.044 92 Q HN 0.397 nan 8.270 nan 0.000 0.513 93 D N -0.706 119.523 120.400 -0.286 0.000 2.800 93 D HA -0.180 4.453 4.640 -0.011 0.000 0.232 93 D C -1.348 175.009 176.300 0.095 0.000 1.137 93 D CA 0.256 54.205 54.000 -0.084 0.000 0.718 93 D CB -0.982 39.792 40.800 -0.045 0.000 1.084 93 D HN -0.011 nan 8.370 nan 0.000 0.432 94 F N 0.312 120.274 119.950 0.020 0.000 2.397 94 F HA 0.553 5.074 4.527 -0.010 0.000 0.331 94 F C 1.225 177.030 175.800 0.009 0.000 1.090 94 F CA -1.242 56.770 58.000 0.020 0.000 1.065 94 F CB 1.620 40.638 39.000 0.030 0.000 1.184 94 F HN -0.221 nan 8.300 nan 0.000 0.499 95 S N 2.572 118.388 115.700 0.194 0.000 2.617 95 S HA 0.604 5.068 4.470 -0.011 0.000 0.283 95 S C -0.215 174.419 174.600 0.056 0.000 1.189 95 S CA -0.772 57.482 58.200 0.090 0.000 1.036 95 S CB 1.155 64.382 63.200 0.045 0.000 1.014 95 S HN 0.354 nan 8.310 nan 0.000 0.522 96 L N 2.040 123.285 121.223 0.037 0.000 2.397 96 L HA 0.349 4.683 4.340 -0.011 0.000 0.271 96 L C -0.579 176.286 176.870 -0.008 0.000 1.148 96 L CA -0.579 54.272 54.840 0.018 0.000 0.825 96 L CB 0.582 42.651 42.059 0.017 0.000 1.117 96 L HN 0.316 nan 8.230 nan 0.000 0.456 97 V N 4.249 124.150 119.914 -0.022 0.000 2.350 97 V HA 0.235 4.349 4.120 -0.011 0.000 0.276 97 V C 0.887 176.966 176.094 -0.025 0.000 1.028 97 V CA -0.340 61.938 62.300 -0.038 0.000 0.860 97 V CB 1.284 33.069 31.823 -0.064 0.000 0.990 97 V HN 0.769 nan 8.190 nan 0.000 0.453 98 R N 3.876 124.362 120.500 -0.024 0.000 2.189 98 R HA 0.257 4.591 4.340 -0.011 0.000 0.203 98 R C -0.131 176.165 176.300 -0.006 0.000 1.012 98 R CA 0.609 56.701 56.100 -0.013 0.000 1.015 98 R CB 0.612 30.903 30.300 -0.014 0.000 0.938 98 R HN 0.539 nan 8.270 nan 0.000 0.472 99 V N 1.171 121.074 119.914 -0.019 0.000 2.709 99 V HA 0.386 4.500 4.120 -0.011 0.000 0.308 99 V C -0.989 175.100 176.094 -0.008 0.000 1.062 99 V CA -0.869 61.431 62.300 -0.000 0.000 0.901 99 V CB 2.177 33.992 31.823 -0.013 0.000 1.003 99 V HN -0.206 nan 8.190 nan 0.000 0.425 100 V N 4.763 124.686 119.914 0.015 0.000 2.483 100 V HA 0.490 4.604 4.120 -0.011 0.000 0.297 100 V C -0.512 175.607 176.094 0.043 0.000 1.027 100 V CA -0.540 61.761 62.300 0.001 0.000 0.855 100 V CB 2.063 33.870 31.823 -0.027 0.000 0.995 100 V HN 0.623 nan 8.190 nan 0.000 0.424 101 V N 4.394 124.342 119.914 0.056 0.000 2.334 101 V HA 0.600 4.714 4.120 -0.011 0.000 0.281 101 V C -0.274 175.859 176.094 0.065 0.000 1.016 101 V CA -0.341 62.027 62.300 0.114 0.000 0.832 101 V CB 1.297 33.221 31.823 0.168 0.000 0.999 101 V HN 0.992 nan 8.190 nan 0.000 0.439 102 C N 5.845 125.169 119.300 0.040 0.000 3.006 102 C HA 0.790 5.244 4.460 -0.011 0.000 0.359 102 C C -1.280 173.694 174.990 -0.027 0.000 1.103 102 C CA -0.520 58.506 59.018 0.014 0.000 1.286 102 C CB 1.387 29.123 27.740 -0.007 0.000 1.694 102 C HN 1.132 nan 8.230 nan 0.000 0.511 103 N N 4.017 122.726 118.700 0.016 0.000 2.396 103 N HA 0.763 5.497 4.740 -0.011 0.000 0.275 103 N C -1.741 173.873 175.510 0.172 0.000 1.218 103 N CA -0.831 52.251 53.050 0.054 0.000 0.812 103 N CB 0.906 39.374 38.487 -0.031 0.000 1.592 103 N HN 0.621 nan 8.380 nan 0.000 0.480 104 L N 0.246 121.668 121.223 0.332 0.000 2.334 104 L HA 0.481 4.815 4.340 -0.011 0.000 0.272 104 L C -0.551 176.402 176.870 0.139 0.000 1.020 104 L CA -1.290 53.582 54.840 0.054 0.000 0.812 104 L CB 0.862 42.690 42.059 -0.384 0.000 1.264 104 L HN 0.608 nan 8.230 nan 0.000 0.439 105 Y N 3.029 123.365 120.300 0.061 0.000 2.465 105 Y HA 0.188 4.733 4.550 -0.009 0.000 0.331 105 Y C -2.017 173.994 175.900 0.186 0.000 1.102 105 Y CA -2.045 56.117 58.100 0.103 0.000 1.358 105 Y CB 0.522 39.038 38.460 0.093 0.000 1.213 105 Y HN 0.328 nan 8.280 nan 0.000 0.525 106 P HA -0.121 nan 4.420 nan 0.000 0.258 106 P C 0.195 177.458 177.300 -0.061 0.000 1.172 106 P CA 0.627 63.644 63.100 -0.138 0.000 0.762 106 P CB 0.124 31.662 31.700 -0.271 0.000 0.764 107 F N 4.572 124.486 119.950 -0.061 0.000 2.216 107 F HA -0.181 4.338 4.527 -0.012 0.000 0.300 107 F C 1.918 177.602 175.800 -0.194 0.000 1.085 107 F CA 1.370 59.265 58.000 -0.174 0.000 1.326 107 F CB -0.255 38.454 39.000 -0.485 0.000 1.027 107 F HN 0.041 nan 8.300 nan 0.000 0.497 108 V N 0.151 119.990 119.914 -0.126 0.000 2.490 108 V HA -0.309 3.804 4.120 -0.011 0.000 0.250 108 V C 2.357 178.311 176.094 -0.234 0.000 1.061 108 V CA 1.938 64.136 62.300 -0.171 0.000 1.064 108 V CB -0.574 31.196 31.823 -0.089 0.000 0.670 108 V HN 0.266 nan 8.190 nan 0.000 0.461 109 K N -0.518 119.727 120.400 -0.257 0.000 2.062 109 K HA -0.122 4.191 4.320 -0.011 0.000 0.205 109 K C 2.282 178.796 176.600 -0.143 0.000 1.051 109 K CA 1.718 57.865 56.287 -0.233 0.000 0.941 109 K CB -0.421 31.801 32.500 -0.463 0.000 0.719 109 K HN 0.424 nan 8.250 nan 0.000 0.440 110 T N 1.210 115.661 114.554 -0.173 0.000 2.665 110 T HA -0.135 4.209 4.350 -0.011 0.000 0.268 110 T C 1.835 176.292 174.700 -0.404 0.000 1.035 110 T CA 1.828 63.812 62.100 -0.194 0.000 1.151 110 T CB -0.197 68.433 68.868 -0.397 0.000 0.862 110 T HN 0.206 nan 8.240 nan 0.000 0.438 111 V N -0.817 118.708 119.914 -0.647 0.000 3.573 111 V HA 0.205 4.319 4.120 -0.011 0.000 0.270 111 V C 1.980 177.913 176.094 -0.268 0.000 1.221 111 V CA 0.855 62.803 62.300 -0.587 0.000 1.163 111 V CB -0.345 30.917 31.823 -0.936 0.000 0.847 111 V HN 0.235 nan 8.190 nan 0.000 0.468 112 S N 1.100 116.682 115.700 -0.197 0.000 2.478 112 S HA 0.088 4.551 4.470 -0.011 0.000 0.222 112 S C 1.202 175.765 174.600 -0.062 0.000 1.008 112 S CA 0.657 58.796 58.200 -0.101 0.000 0.928 112 S CB -0.214 62.934 63.200 -0.087 0.000 0.781 112 S HN 0.901 nan 8.310 nan 0.000 0.518 113 S N 2.663 118.327 115.700 -0.061 0.000 2.544 113 S HA 0.110 4.574 4.470 -0.011 0.000 0.290 113 S C -1.671 172.913 174.600 -0.026 0.000 1.276 113 S CA -0.894 57.288 58.200 -0.029 0.000 1.075 113 S CB 0.242 63.428 63.200 -0.022 0.000 0.849 113 S HN 0.015 nan 8.310 nan 0.000 0.494 114 P HA -0.171 nan 4.420 nan 0.000 0.218 114 P C 1.147 178.444 177.300 -0.004 0.000 1.132 114 P CA 2.085 65.182 63.100 -0.006 0.000 0.968 114 P CB -0.343 31.356 31.700 -0.002 0.000 0.783 115 G N -1.296 107.502 108.800 -0.004 0.000 3.820 115 G HA2 0.262 4.216 3.960 -0.011 0.000 0.293 115 G HA3 0.262 4.216 3.960 -0.011 0.000 0.293 115 G C -0.358 174.542 174.900 0.000 0.000 1.152 115 G CA -0.147 44.953 45.100 0.000 0.000 0.921 115 G HN 0.338 nan 8.290 nan 0.000 0.544 116 V N 2.203 122.113 119.914 -0.007 0.000 2.555 116 V HA 0.524 4.638 4.120 -0.011 0.000 0.286 116 V C 0.884 176.989 176.094 0.018 0.000 1.044 116 V CA 0.110 62.405 62.300 -0.008 0.000 1.026 116 V CB 1.125 32.920 31.823 -0.046 0.000 0.981 116 V HN 0.436 nan 8.190 nan 0.000 0.480 117 T N 3.475 118.048 114.554 0.031 0.000 2.881 117 T HA 0.373 4.717 4.350 -0.011 0.000 0.278 117 T C 1.078 175.834 174.700 0.093 0.000 0.982 117 T CA -0.111 62.020 62.100 0.052 0.000 0.989 117 T CB 1.524 70.417 68.868 0.041 0.000 1.058 117 T HN 0.364 nan 8.240 nan 0.000 0.529 118 V N 1.797 121.775 119.914 0.105 0.000 2.343 118 V HA -0.025 4.088 4.120 -0.011 0.000 0.247 118 V C -0.588 175.596 176.094 0.150 0.000 1.051 118 V CA 1.440 63.833 62.300 0.154 0.000 1.036 118 V CB -1.647 30.187 31.823 0.019 0.000 0.654 118 V HN 0.746 nan 8.190 nan 0.000 0.451 119 P HA -0.149 nan 4.420 nan 0.000 0.216 119 P C 1.580 178.943 177.300 0.105 0.000 1.150 119 P CA 1.379 64.540 63.100 0.101 0.000 0.837 119 P CB 0.012 31.754 31.700 0.070 0.000 0.786 120 E N -0.526 119.723 120.200 0.083 0.000 2.072 120 E HA -0.115 4.228 4.350 -0.011 0.000 0.191 120 E C 2.110 178.756 176.600 0.077 0.000 0.985 120 E CA 1.142 57.581 56.400 0.064 0.000 0.801 120 E CB -0.564 29.155 29.700 0.033 0.000 0.750 120 E HN 0.148 nan 8.360 nan 0.000 0.452 121 A N 1.147 124.013 122.820 0.077 0.000 1.902 121 A HA -0.137 4.176 4.320 -0.011 0.000 0.217 121 A C 2.523 180.264 177.584 0.262 0.000 1.181 121 A CA 1.134 53.193 52.037 0.037 0.000 0.623 121 A CB -0.678 18.242 19.000 -0.132 0.000 0.818 121 A HN 0.106 nan 8.150 nan 0.000 0.443 122 V N 0.257 120.364 119.914 0.321 0.000 2.343 122 V HA -0.239 3.875 4.120 -0.011 0.000 0.247 122 V C 2.595 178.854 176.094 0.274 0.000 1.051 122 V CA 2.387 64.911 62.300 0.373 0.000 1.036 122 V CB -0.720 31.287 31.823 0.307 0.000 0.654 122 V HN 0.753 nan 8.190 nan 0.000 0.451 123 E N 0.530 120.847 120.200 0.196 0.000 2.204 123 E HA -0.196 4.148 4.350 -0.011 0.000 0.195 123 E C 1.989 178.685 176.600 0.160 0.000 0.990 123 E CA 1.167 57.657 56.400 0.150 0.000 0.821 123 E CB -0.169 29.594 29.700 0.105 0.000 0.750 123 E HN 0.334 nan 8.360 nan 0.000 0.477 124 K N 0.189 120.704 120.400 0.191 0.000 2.486 124 K HA 0.082 4.395 4.320 -0.011 0.000 0.194 124 K C 0.232 177.025 176.600 0.321 0.000 1.033 124 K CA 0.031 56.443 56.287 0.207 0.000 1.004 124 K CB -0.191 32.408 32.500 0.165 0.000 0.798 124 K HN 0.289 nan 8.250 nan 0.000 0.495 125 I N 2.886 123.658 120.570 0.336 0.000 2.752 125 I HA -0.113 4.051 4.170 -0.011 0.000 0.286 125 I C 0.793 177.067 176.117 0.262 0.000 1.180 125 I CA 0.196 61.676 61.300 0.299 0.000 1.404 125 I CB 0.118 38.209 38.000 0.152 0.000 1.389 125 I HN -0.001 nan 8.210 nan 0.000 0.549 126 D N 7.212 127.819 120.400 0.345 0.000 2.390 126 D HA 0.048 4.681 4.640 -0.011 0.000 0.249 126 D C 0.520 176.882 176.300 0.102 0.000 1.144 126 D CA 0.000 54.091 54.000 0.151 0.000 0.880 126 D CB 1.246 42.022 40.800 -0.040 0.000 1.182 126 D HN 0.314 nan 8.370 nan 0.000 0.451 127 I N 3.165 123.775 120.570 0.067 0.000 3.393 127 I HA 0.045 4.208 4.170 -0.011 0.000 0.250 127 I C 2.363 178.501 176.117 0.036 0.000 1.122 127 I CA 0.423 61.754 61.300 0.051 0.000 1.484 127 I CB -1.410 36.622 38.000 0.053 0.000 1.468 127 I HN 0.555 nan 8.210 nan 0.000 0.461 128 G N 1.027 109.851 108.800 0.040 0.000 2.418 128 G HA2 -0.186 3.768 3.960 -0.011 0.000 0.217 128 G HA3 -0.186 3.768 3.960 -0.011 0.000 0.217 128 G C 1.654 176.576 174.900 0.037 0.000 1.158 128 G CA 1.007 46.136 45.100 0.050 0.000 0.771 128 G HN 0.473 nan 8.290 nan 0.000 0.545 129 G N 0.430 109.232 108.800 0.004 0.000 2.421 129 G HA2 -0.157 3.796 3.960 -0.011 0.000 0.216 129 G HA3 -0.157 3.796 3.960 -0.011 0.000 0.216 129 G C 1.802 176.686 174.900 -0.027 0.000 1.171 129 G CA 1.257 46.347 45.100 -0.018 0.000 0.775 129 G HN 0.320 nan 8.290 nan 0.000 0.543 130 V N 1.678 121.563 119.914 -0.049 0.000 2.287 130 V HA -0.186 3.927 4.120 -0.011 0.000 0.248 130 V C 3.349 179.451 176.094 0.012 0.000 1.053 130 V CA 2.143 64.421 62.300 -0.036 0.000 1.027 130 V CB -0.974 30.835 31.823 -0.023 0.000 0.646 130 V HN 0.491 nan 8.190 nan 0.000 0.447 131 A N -0.261 122.585 122.820 0.043 0.000 1.902 131 A HA -0.168 4.146 4.320 -0.011 0.000 0.217 131 A C 2.222 179.907 177.584 0.168 0.000 1.181 131 A CA 1.895 53.989 52.037 0.094 0.000 0.623 131 A CB -0.551 18.504 19.000 0.093 0.000 0.818 131 A HN 0.510 nan 8.150 nan 0.000 0.443 132 L N -0.792 120.500 121.223 0.115 0.000 2.017 132 L HA -0.205 4.128 4.340 -0.011 0.000 0.208 132 L C 2.635 179.495 176.870 -0.016 0.000 1.073 132 L CA 1.225 56.082 54.840 0.029 0.000 0.745 132 L CB -0.654 41.385 42.059 -0.033 0.000 0.894 132 L HN 0.375 nan 8.230 nan 0.000 0.432 133 L N -0.546 120.653 121.223 -0.040 0.000 2.012 133 L HA -0.233 4.101 4.340 -0.011 0.000 0.210 133 L C 2.917 179.661 176.870 -0.211 0.000 1.073 133 L CA 1.473 56.247 54.840 -0.110 0.000 0.748 133 L CB -0.479 41.526 42.059 -0.091 0.000 0.891 133 L HN 0.214 nan 8.230 nan 0.000 0.431 134 R N -0.350 120.058 120.500 -0.154 0.000 2.096 134 R HA -0.118 4.216 4.340 -0.011 0.000 0.235 134 R C 2.391 178.656 176.300 -0.057 0.000 1.127 134 R CA 1.228 57.216 56.100 -0.187 0.000 0.968 134 R CB -0.509 29.839 30.300 0.079 0.000 0.861 134 R HN 0.367 nan 8.270 nan 0.000 0.440 135 A N 1.475 124.315 122.820 0.033 0.000 1.877 135 A HA -0.087 4.227 4.320 -0.011 0.000 0.216 135 A C 2.401 180.009 177.584 0.039 0.000 1.186 135 A CA 1.648 53.739 52.037 0.090 0.000 0.620 135 A CB -0.620 18.497 19.000 0.194 0.000 0.822 135 A HN 0.381 nan 8.150 nan 0.000 0.443 136 A N -0.172 122.637 122.820 -0.018 0.000 1.873 136 A HA 0.197 4.510 4.320 -0.011 0.000 0.215 136 A C 2.515 180.090 177.584 -0.015 0.000 1.186 136 A CA 2.043 54.067 52.037 -0.022 0.000 0.616 136 A CB -1.063 17.910 19.000 -0.045 0.000 0.823 136 A HN 1.069 nan 8.150 nan 0.000 0.442 137 A N -0.145 122.583 122.820 -0.153 0.000 1.933 137 A HA -0.182 4.132 4.320 -0.011 0.000 0.218 137 A C 2.133 179.839 177.584 0.204 0.000 1.175 137 A CA 2.055 53.971 52.037 -0.203 0.000 0.628 137 A CB -0.449 17.965 19.000 -0.977 0.000 0.814 137 A HN 0.588 nan 8.150 nan 0.000 0.444 138 K N -0.506 120.031 120.400 0.228 0.000 2.025 138 K HA -0.158 4.156 4.320 -0.011 0.000 0.207 138 K C 0.913 177.644 176.600 0.219 0.000 1.049 138 K CA 1.538 58.059 56.287 0.390 0.000 0.933 138 K CB -0.167 32.514 32.500 0.301 0.000 0.714 138 K HN 0.368 nan 8.250 nan 0.000 0.438 139 N N 1.247 120.014 118.700 0.113 0.000 2.597 139 N HA -0.040 4.694 4.740 -0.011 0.000 0.269 139 N C 0.622 176.122 175.510 -0.017 0.000 1.204 139 N CA -0.092 52.962 53.050 0.008 0.000 0.947 139 N CB -0.113 38.386 38.487 0.019 0.000 1.258 139 N HN 0.356 nan 8.380 nan 0.000 0.508 140 H N -1.893 117.203 119.070 0.044 0.000 2.545 140 H HA 0.060 4.610 4.556 -0.010 0.000 0.282 140 H C 1.339 176.681 175.328 0.024 0.000 1.020 140 H CA 0.880 56.946 56.048 0.030 0.000 1.243 140 H CB -0.176 29.608 29.762 0.037 0.000 1.377 140 H HN 0.246 nan 8.280 nan 0.000 0.581 141 A N 1.387 124.004 122.820 -0.338 0.000 2.070 141 A HA -0.146 4.168 4.320 -0.011 0.000 0.220 141 A C 2.512 180.061 177.584 -0.058 0.000 1.159 141 A CA 1.677 53.601 52.037 -0.188 0.000 0.656 141 A CB -0.459 18.428 19.000 -0.188 0.000 0.800 141 A HN 0.499 nan 8.150 nan 0.000 0.453 142 R N -2.139 118.340 120.500 -0.034 0.000 2.551 142 R HA 0.219 4.553 4.340 -0.011 0.000 0.202 142 R C -0.661 175.649 176.300 0.017 0.000 0.861 142 R CA 0.327 56.425 56.100 -0.004 0.000 1.018 142 R CB 0.656 30.951 30.300 -0.008 0.000 1.435 142 R HN 0.174 nan 8.270 nan 0.000 0.659 143 V N 2.247 122.176 119.914 0.025 0.000 2.465 143 V HA 0.273 4.387 4.120 -0.011 0.000 0.279 143 V C -0.164 175.965 176.094 0.058 0.000 1.045 143 V CA -0.219 62.101 62.300 0.034 0.000 0.938 143 V CB 1.526 33.363 31.823 0.023 0.000 0.986 143 V HN 0.154 nan 8.190 nan 0.000 0.467 144 T N 4.796 119.382 114.554 0.053 0.000 2.728 144 T HA 0.373 4.717 4.350 -0.011 0.000 0.296 144 T C -0.359 174.378 174.700 0.061 0.000 0.940 144 T CA 0.004 62.146 62.100 0.070 0.000 1.013 144 T CB 1.187 70.108 68.868 0.089 0.000 0.912 144 T HN 0.475 nan 8.240 nan 0.000 0.484 145 V N 5.752 125.691 119.914 0.043 0.000 2.459 145 V HA 0.645 4.759 4.120 -0.011 0.000 0.295 145 V C -0.853 175.248 176.094 0.013 0.000 1.029 145 V CA -0.477 61.830 62.300 0.012 0.000 0.874 145 V CB 1.486 33.282 31.823 -0.044 0.000 0.985 145 V HN 0.665 nan 8.190 nan 0.000 0.438 146 V N 6.982 126.918 119.914 0.037 0.000 2.380 146 V HA 0.241 4.354 4.120 -0.011 0.000 0.286 146 V C 0.642 176.722 176.094 -0.024 0.000 1.015 146 V CA -0.237 62.079 62.300 0.027 0.000 0.834 146 V CB 0.970 32.872 31.823 0.131 0.000 1.009 146 V HN 1.094 nan 8.190 nan 0.000 0.428 147 C N 0.006 119.217 119.300 -0.149 0.000 3.038 147 C HA 0.401 4.855 4.460 -0.011 0.000 0.279 147 C C 0.386 175.184 174.990 -0.321 0.000 1.276 147 C CA -0.115 58.731 59.018 -0.287 0.000 1.697 147 C CB -0.666 26.759 27.740 -0.526 0.000 2.032 147 C HN 0.734 nan 8.230 nan 0.000 0.636 148 D N 1.089 121.319 120.400 -0.282 0.000 2.505 148 D HA 0.383 5.016 4.640 -0.011 0.000 0.250 148 D C -2.020 173.939 176.300 -0.568 0.000 1.164 148 D CA -1.809 51.992 54.000 -0.331 0.000 0.870 148 D CB 2.045 42.699 40.800 -0.244 0.000 1.160 148 D HN -0.122 nan 8.370 nan 0.000 0.549 149 P HA -0.105 nan 4.420 nan 0.000 0.218 149 P C 0.945 177.698 177.300 -0.912 0.000 1.146 149 P CA 1.087 63.315 63.100 -1.452 0.000 0.813 149 P CB 0.283 31.534 31.700 -0.750 0.000 0.778 150 A N -0.691 121.837 122.820 -0.486 0.000 2.225 150 A HA -0.157 4.157 4.320 -0.011 0.000 0.215 150 A C 1.585 179.011 177.584 -0.264 0.000 1.164 150 A CA 1.522 53.383 52.037 -0.294 0.000 0.710 150 A CB -0.828 18.055 19.000 -0.195 0.000 0.780 150 A HN 0.109 nan 8.150 nan 0.000 0.473 151 D N -2.013 118.179 120.400 -0.346 0.000 2.379 151 D HA 0.053 4.687 4.640 -0.011 0.000 0.208 151 D C 0.968 177.143 176.300 -0.209 0.000 1.065 151 D CA 0.134 53.999 54.000 -0.226 0.000 0.848 151 D CB -0.110 40.579 40.800 -0.186 0.000 0.949 151 D HN 0.427 nan 8.370 nan 0.000 0.509 152 Y N 1.639 121.677 120.300 -0.436 0.000 2.081 152 Y HA -0.213 4.332 4.550 -0.009 0.000 0.280 152 Y C 2.766 178.508 175.900 -0.264 0.000 1.163 152 Y CA 0.438 58.112 58.100 -0.710 0.000 1.135 152 Y CB -1.280 36.826 38.460 -0.589 0.000 0.970 152 Y HN -0.052 nan 8.280 nan 0.000 0.498 153 S N -0.117 115.608 115.700 0.042 0.000 2.359 153 S HA -0.237 4.226 4.470 -0.011 0.000 0.222 153 S C 2.430 177.061 174.600 0.052 0.000 1.038 153 S CA 2.436 60.672 58.200 0.060 0.000 1.051 153 S CB -0.760 62.456 63.200 0.027 0.000 0.944 153 S HN 0.641 nan 8.310 nan 0.000 0.433 154 S N 0.544 116.253 115.700 0.015 0.000 2.383 154 S HA -0.037 4.427 4.470 -0.011 0.000 0.227 154 S C 1.893 176.524 174.600 0.051 0.000 1.026 154 S CA 1.299 59.512 58.200 0.022 0.000 0.981 154 S CB -0.912 62.286 63.200 -0.004 0.000 0.818 154 S HN 0.366 nan 8.310 nan 0.000 0.472 155 V N 2.644 122.591 119.914 0.055 0.000 2.307 155 V HA -0.099 4.014 4.120 -0.011 0.000 0.245 155 V C 3.178 179.393 176.094 0.202 0.000 1.045 155 V CA 1.667 64.039 62.300 0.119 0.000 1.024 155 V CB -1.514 30.381 31.823 0.120 0.000 0.651 155 V HN 0.665 nan 8.190 nan 0.000 0.449 156 A N -0.193 122.798 122.820 0.285 0.000 1.908 156 A HA -0.267 4.046 4.320 -0.011 0.000 0.218 156 A C 2.278 179.940 177.584 0.131 0.000 1.181 156 A CA 2.133 54.329 52.037 0.264 0.000 0.627 156 A CB -0.465 18.716 19.000 0.302 0.000 0.818 156 A HN 0.559 nan 8.150 nan 0.000 0.445 157 K N -0.712 119.750 120.400 0.103 0.000 2.097 157 K HA -0.166 4.148 4.320 -0.011 0.000 0.206 157 K C 2.136 178.770 176.600 0.056 0.000 1.049 157 K CA 1.436 57.762 56.287 0.066 0.000 0.933 157 K CB -0.124 32.406 32.500 0.051 0.000 0.717 157 K HN 0.726 nan 8.250 nan 0.000 0.442 158 E N 1.005 121.243 120.200 0.064 0.000 2.072 158 E HA -0.164 4.180 4.350 -0.011 0.000 0.191 158 E C 2.028 178.659 176.600 0.051 0.000 0.985 158 E CA 0.979 57.412 56.400 0.054 0.000 0.801 158 E CB 0.069 29.805 29.700 0.059 0.000 0.750 158 E HN 0.224 nan 8.360 nan 0.000 0.452 159 M N 0.303 119.940 119.600 0.063 0.000 2.086 159 M HA -0.132 4.341 4.480 -0.011 0.000 0.261 159 M C 2.482 178.800 176.300 0.029 0.000 1.067 159 M CA 1.583 56.911 55.300 0.047 0.000 1.116 159 M CB -0.184 32.447 32.600 0.051 0.000 1.348 159 M HN 0.202 nan 8.290 nan 0.000 0.407 160 A N 0.252 123.091 122.820 0.030 0.000 1.933 160 A HA 0.017 4.331 4.320 -0.011 0.000 0.218 160 A C 2.213 179.807 177.584 0.017 0.000 1.175 160 A CA 1.766 53.814 52.037 0.018 0.000 0.628 160 A CB -0.787 18.225 19.000 0.020 0.000 0.814 160 A HN 0.507 nan 8.150 nan 0.000 0.444 161 A N -0.723 122.111 122.820 0.023 0.000 2.238 161 A HA 0.347 4.661 4.320 -0.011 0.000 0.208 161 A C 1.315 178.910 177.584 0.019 0.000 1.177 161 A CA 0.767 52.816 52.037 0.020 0.000 0.804 161 A CB -0.473 18.541 19.000 0.022 0.000 0.823 161 A HN 0.462 nan 8.150 nan 0.000 0.482 162 S N -0.075 115.637 115.700 0.020 0.000 2.586 162 S HA 0.285 4.749 4.470 -0.011 0.000 0.274 162 S C 1.344 175.952 174.600 0.013 0.000 1.281 162 S CA -0.070 58.141 58.200 0.018 0.000 1.035 162 S CB 0.899 64.112 63.200 0.022 0.000 0.962 162 S HN 0.547 nan 8.310 nan 0.000 0.512 163 K N 2.430 122.837 120.400 0.012 0.000 2.057 163 K HA -0.111 4.203 4.320 -0.011 0.000 0.207 163 K C 0.571 177.175 176.600 0.007 0.000 1.049 163 K CA 1.909 58.202 56.287 0.009 0.000 0.931 163 K CB -0.584 31.921 32.500 0.008 0.000 0.714 163 K HN 0.695 nan 8.250 nan 0.000 0.440 164 D N 0.570 120.975 120.400 0.008 0.000 2.325 164 D HA 0.054 4.688 4.640 -0.011 0.000 0.225 164 D C -0.565 175.738 176.300 0.005 0.000 1.096 164 D CA -0.239 53.765 54.000 0.006 0.000 0.844 164 D CB 0.119 40.923 40.800 0.008 0.000 0.925 164 D HN 0.217 nan 8.370 nan 0.000 0.513 165 K N -0.496 119.907 120.400 0.006 0.000 3.077 165 K HA -0.220 4.094 4.320 -0.011 0.000 0.264 165 K C -0.677 175.927 176.600 0.007 0.000 1.008 165 K CA 0.949 57.239 56.287 0.004 0.000 0.740 165 K CB -1.287 31.210 32.500 -0.005 0.000 1.273 165 K HN 0.377 nan 8.250 nan 0.000 0.477 166 D N -0.939 119.471 120.400 0.016 0.000 2.523 166 D HA 0.347 4.980 4.640 -0.011 0.000 0.236 166 D C -0.156 176.166 176.300 0.036 0.000 1.094 166 D CA -0.221 53.792 54.000 0.023 0.000 0.942 166 D CB 1.334 42.145 40.800 0.019 0.000 1.447 166 D HN 0.088 nan 8.370 nan 0.000 0.479 167 T N -1.167 113.415 114.554 0.047 0.000 2.754 167 T HA 0.529 4.873 4.350 -0.011 0.000 0.286 167 T C 0.603 175.333 174.700 0.049 0.000 0.997 167 T CA -0.698 61.436 62.100 0.058 0.000 0.982 167 T CB 0.613 69.524 68.868 0.072 0.000 1.027 167 T HN 0.359 nan 8.240 nan 0.000 0.529 168 S N -0.005 115.727 115.700 0.053 0.000 2.652 168 S HA 0.293 4.756 4.470 -0.011 0.000 0.270 168 S C 1.704 176.334 174.600 0.049 0.000 1.243 168 S CA -0.401 57.827 58.200 0.047 0.000 0.999 168 S CB 0.978 64.208 63.200 0.049 0.000 0.973 168 S HN 1.176 nan 8.310 nan 0.000 0.544 169 V N -0.684 119.254 119.914 0.041 0.000 2.515 169 V HA -0.108 4.006 4.120 -0.011 0.000 0.250 169 V C 2.223 178.338 176.094 0.035 0.000 1.058 169 V CA 1.599 63.925 62.300 0.044 0.000 1.064 169 V CB -1.244 30.598 31.823 0.032 0.000 0.675 169 V HN 0.891 nan 8.190 nan 0.000 0.461 170 E N 0.962 121.175 120.200 0.022 0.000 2.072 170 E HA -0.150 4.194 4.350 -0.011 0.000 0.190 170 E C 2.182 178.777 176.600 -0.008 0.000 0.982 170 E CA 1.772 58.157 56.400 -0.025 0.000 0.803 170 E CB -1.368 28.348 29.700 0.026 0.000 0.755 170 E HN 0.605 nan 8.360 nan 0.000 0.453 171 T N 1.764 116.369 114.554 0.086 0.000 2.746 171 T HA -0.102 4.241 4.350 -0.011 0.000 0.267 171 T C 1.939 176.694 174.700 0.091 0.000 1.039 171 T CA 1.418 63.598 62.100 0.133 0.000 1.142 171 T CB -0.158 68.772 68.868 0.103 0.000 0.866 171 T HN 0.187 nan 8.240 nan 0.000 0.444 172 R N 0.613 121.155 120.500 0.070 0.000 2.152 172 R HA 0.028 4.361 4.340 -0.011 0.000 0.232 172 R C 2.680 178.998 176.300 0.030 0.000 1.117 172 R CA 0.966 57.115 56.100 0.082 0.000 0.981 172 R CB -0.152 30.223 30.300 0.125 0.000 0.870 172 R HN 0.376 nan 8.270 nan 0.000 0.451 173 R N -0.539 119.937 120.500 -0.039 0.000 2.066 173 R HA -0.062 4.272 4.340 -0.011 0.000 0.232 173 R C 2.124 178.297 176.300 -0.212 0.000 1.131 173 R CA 1.078 57.053 56.100 -0.210 0.000 0.955 173 R CB -0.256 29.908 30.300 -0.227 0.000 0.851 173 R HN 0.344 nan 8.270 nan 0.000 0.432 174 H N 0.622 119.669 119.070 -0.037 0.000 2.387 174 H HA -0.063 4.486 4.556 -0.011 0.000 0.299 174 H C 2.188 177.490 175.328 -0.044 0.000 1.090 174 H CA 1.152 57.180 56.048 -0.034 0.000 1.332 174 H CB -0.088 29.663 29.762 -0.018 0.000 1.386 174 H HN 0.173 nan 8.280 nan 0.000 0.516 175 L N 0.026 121.292 121.223 0.072 0.000 2.056 175 L HA -0.100 4.233 4.340 -0.011 0.000 0.207 175 L C 2.848 179.699 176.870 -0.032 0.000 1.078 175 L CA 0.857 55.706 54.840 0.016 0.000 0.749 175 L CB -0.442 41.631 42.059 0.023 0.000 0.901 175 L HN 0.198 nan 8.230 nan 0.000 0.433 176 A N 0.076 122.850 122.820 -0.076 0.000 1.933 176 A HA -0.230 4.083 4.320 -0.011 0.000 0.218 176 A C 2.192 179.772 177.584 -0.006 0.000 1.175 176 A CA 1.692 53.659 52.037 -0.116 0.000 0.628 176 A CB -0.645 18.138 19.000 -0.362 0.000 0.814 176 A HN 0.345 nan 8.150 nan 0.000 0.444 177 L N -0.077 121.147 121.223 0.002 0.000 2.017 177 L HA -0.139 4.195 4.340 -0.011 0.000 0.208 177 L C 2.148 179.069 176.870 0.085 0.000 1.073 177 L CA 2.348 57.234 54.840 0.078 0.000 0.745 177 L CB -0.575 41.517 42.059 0.055 0.000 0.894 177 L HN 0.333 nan 8.230 nan 0.000 0.432 178 K N -0.290 120.132 120.400 0.037 0.000 2.097 178 K HA -0.120 4.194 4.320 -0.011 0.000 0.206 178 K C 2.086 178.694 176.600 0.013 0.000 1.049 178 K CA 1.352 57.650 56.287 0.018 0.000 0.933 178 K CB -0.420 32.063 32.500 -0.028 0.000 0.717 178 K HN 0.524 nan 8.250 nan 0.000 0.442 179 A N 0.893 123.688 122.820 -0.041 0.000 1.873 179 A HA -0.123 4.190 4.320 -0.011 0.000 0.215 179 A C 1.878 179.444 177.584 -0.029 0.000 1.186 179 A CA 1.214 53.193 52.037 -0.097 0.000 0.616 179 A CB -0.628 18.237 19.000 -0.225 0.000 0.823 179 A HN 0.178 nan 8.150 nan 0.000 0.442 180 F N 0.705 120.679 119.950 0.040 0.000 2.365 180 F HA -0.064 4.456 4.527 -0.011 0.000 0.300 180 F C 2.603 178.438 175.800 0.059 0.000 1.090 180 F CA 1.582 59.609 58.000 0.046 0.000 1.408 180 F CB -0.750 38.265 39.000 0.024 0.000 1.060 180 F HN 0.138 nan 8.300 nan 0.000 0.534 181 T N -2.202 112.489 114.554 0.229 0.000 2.857 181 T HA -0.204 4.139 4.350 -0.011 0.000 0.266 181 T C 1.731 176.535 174.700 0.173 0.000 1.048 181 T CA 1.549 63.747 62.100 0.164 0.000 1.139 181 T CB -0.377 68.562 68.868 0.118 0.000 0.874 181 T HN 0.286 nan 8.240 nan 0.000 0.455 182 H N 1.249 120.353 119.070 0.056 0.000 2.326 182 H HA -0.076 4.473 4.556 -0.011 0.000 0.301 182 H C 2.509 177.881 175.328 0.073 0.000 1.081 182 H CA 2.191 58.263 56.048 0.039 0.000 1.334 182 H CB -0.285 29.470 29.762 -0.011 0.000 1.385 182 H HN 0.419 nan 8.280 nan 0.000 0.504 183 T N -2.314 112.336 114.554 0.160 0.000 2.857 183 T HA -0.002 4.342 4.350 -0.011 0.000 0.266 183 T C 2.278 177.058 174.700 0.134 0.000 1.048 183 T CA 0.992 63.164 62.100 0.120 0.000 1.139 183 T CB -0.774 68.172 68.868 0.130 0.000 0.874 183 T HN 0.371 nan 8.240 nan 0.000 0.455 184 A N 1.758 124.662 122.820 0.141 0.000 1.883 184 A HA -0.171 4.143 4.320 -0.011 0.000 0.217 184 A C 2.491 180.109 177.584 0.056 0.000 1.186 184 A CA 1.862 53.956 52.037 0.095 0.000 0.624 184 A CB -0.992 18.066 19.000 0.095 0.000 0.822 184 A HN 0.642 nan 8.150 nan 0.000 0.444 185 Q N -2.316 117.519 119.800 0.058 0.000 2.124 185 Q HA -0.196 4.138 4.340 -0.011 0.000 0.202 185 Q C 2.005 178.010 176.000 0.008 0.000 0.977 185 Q CA 1.739 57.558 55.803 0.026 0.000 0.850 185 Q CB -0.301 28.451 28.738 0.023 0.000 0.901 185 Q HN 0.814 nan 8.270 nan 0.000 0.429 186 Y N 1.619 121.844 120.300 -0.124 0.000 2.145 186 Y HA -0.237 4.307 4.550 -0.011 0.000 0.286 186 Y C 1.614 177.404 175.900 -0.182 0.000 1.145 186 Y CA 1.794 59.804 58.100 -0.151 0.000 1.148 186 Y CB -0.004 38.353 38.460 -0.173 0.000 0.981 186 Y HN 0.091 nan 8.280 nan 0.000 0.507 187 D N -0.583 119.763 120.400 -0.091 0.000 2.269 187 D HA -0.052 4.581 4.640 -0.011 0.000 0.208 187 D C 2.124 178.295 176.300 -0.216 0.000 0.963 187 D CA 1.057 54.934 54.000 -0.205 0.000 0.864 187 D CB -0.341 40.404 40.800 -0.092 0.000 0.936 187 D HN 0.435 nan 8.370 nan 0.000 0.505 188 A N 0.690 123.431 122.820 -0.132 0.000 1.930 188 A HA 0.048 4.362 4.320 -0.011 0.000 0.217 188 A C 2.253 179.753 177.584 -0.140 0.000 1.175 188 A CA 1.706 53.679 52.037 -0.106 0.000 0.627 188 A CB -0.533 18.442 19.000 -0.042 0.000 0.815 188 A HN 0.213 nan 8.150 nan 0.000 0.443 189 A N 0.099 122.824 122.820 -0.158 0.000 1.898 189 A HA -0.043 4.271 4.320 -0.011 0.000 0.216 189 A C 2.096 179.611 177.584 -0.115 0.000 1.181 189 A CA 1.438 53.418 52.037 -0.095 0.000 0.620 189 A CB -0.569 18.398 19.000 -0.054 0.000 0.819 189 A HN 0.485 nan 8.150 nan 0.000 0.442 190 I N -0.245 120.037 120.570 -0.479 0.000 2.226 190 I HA -0.222 3.942 4.170 -0.011 0.000 0.245 190 I C 2.662 178.564 176.117 -0.358 0.000 1.100 190 I CA 1.433 62.338 61.300 -0.658 0.000 1.374 190 I CB -0.384 37.001 38.000 -1.026 0.000 1.057 190 I HN 0.221 nan 8.210 nan 0.000 0.413 191 S N 0.319 115.818 115.700 -0.335 0.000 2.370 191 S HA -0.251 4.212 4.470 -0.011 0.000 0.226 191 S C 1.691 176.225 174.600 -0.110 0.000 1.033 191 S CA 1.813 59.877 58.200 -0.226 0.000 1.011 191 S CB -0.375 62.715 63.200 -0.184 0.000 0.852 191 S HN 0.475 nan 8.310 nan 0.000 0.457 192 D N 0.125 120.454 120.400 -0.117 0.000 2.097 192 D HA -0.144 4.490 4.640 -0.011 0.000 0.195 192 D C 1.748 178.066 176.300 0.031 0.000 0.989 192 D CA 1.059 54.980 54.000 -0.131 0.000 0.827 192 D CB -0.297 40.433 40.800 -0.116 0.000 0.966 192 D HN 0.433 nan 8.370 nan 0.000 0.456 193 Y N -0.174 120.143 120.300 0.028 0.000 2.181 193 Y HA -0.151 4.392 4.550 -0.012 0.000 0.288 193 Y C 1.897 177.867 175.900 0.118 0.000 1.146 193 Y CA 1.372 59.540 58.100 0.114 0.000 1.164 193 Y CB -0.553 38.102 38.460 0.325 0.000 0.982 193 Y HN -0.076 nan 8.280 nan 0.000 0.515 194 F N 0.313 120.160 119.950 -0.171 0.000 2.186 194 F HA -0.096 4.425 4.527 -0.011 0.000 0.299 194 F C 2.466 178.130 175.800 -0.226 0.000 1.090 194 F CA 1.327 59.138 58.000 -0.314 0.000 1.307 194 F CB -0.755 38.214 39.000 -0.053 0.000 1.019 194 F HN -0.022 nan 8.300 nan 0.000 0.489 195 R N 0.297 120.825 120.500 0.047 0.000 2.073 195 R HA -0.152 4.181 4.340 -0.011 0.000 0.234 195 R C 2.144 178.410 176.300 -0.057 0.000 1.134 195 R CA 1.477 57.577 56.100 0.000 0.000 0.952 195 R CB -0.342 29.928 30.300 -0.051 0.000 0.850 195 R HN 0.249 nan 8.270 nan 0.000 0.433 196 K N 0.169 120.505 120.400 -0.105 0.000 2.097 196 K HA -0.120 4.194 4.320 -0.011 0.000 0.206 196 K C 1.930 178.409 176.600 -0.201 0.000 1.049 196 K CA 1.066 57.282 56.287 -0.119 0.000 0.933 196 K CB 0.105 32.552 32.500 -0.087 0.000 0.717 196 K HN 0.145 nan 8.250 nan 0.000 0.442 197 E N -0.466 119.489 120.200 -0.409 0.000 2.190 197 E HA -0.053 4.291 4.350 -0.011 0.000 0.191 197 E C 1.293 177.728 176.600 -0.276 0.000 0.978 197 E CA 1.043 57.134 56.400 -0.514 0.000 0.839 197 E CB 0.213 29.284 29.700 -1.050 0.000 0.787 197 E HN 0.377 nan 8.360 nan 0.000 0.473 198 Y N -0.800 119.379 120.300 -0.202 0.000 2.445 198 Y HA 0.301 4.845 4.550 -0.010 0.000 0.247 198 Y C 1.494 177.345 175.900 -0.082 0.000 1.129 198 Y CA -0.448 57.562 58.100 -0.150 0.000 1.251 198 Y CB 0.729 39.085 38.460 -0.173 0.000 1.176 198 Y HN -0.172 nan 8.280 nan 0.000 0.522 199 S N 0.033 115.778 115.700 0.076 0.000 2.941 199 S HA 0.157 4.620 4.470 -0.011 0.000 0.251 199 S C 0.064 174.673 174.600 0.015 0.000 1.029 199 S CA -0.524 57.705 58.200 0.048 0.000 1.062 199 S CB -0.196 63.040 63.200 0.060 0.000 0.977 199 S HN 0.162 nan 8.310 nan 0.000 0.552 200 K N 0.807 121.207 120.400 -0.000 0.000 2.447 200 K HA 0.312 4.626 4.320 -0.011 0.000 0.281 200 K C 1.150 177.744 176.600 -0.010 0.000 1.031 200 K CA 1.279 57.560 56.287 -0.010 0.000 1.019 200 K CB -0.021 32.468 32.500 -0.020 0.000 0.918 200 K HN 0.379 nan 8.250 nan 0.000 0.476 201 G N 2.185 110.978 108.800 -0.013 0.000 2.184 201 G HA2 -0.254 3.699 3.960 -0.011 0.000 0.264 201 G HA3 -0.254 3.699 3.960 -0.011 0.000 0.264 201 G C 0.406 175.293 174.900 -0.022 0.000 0.975 201 G CA 0.413 45.500 45.100 -0.022 0.000 0.642 201 G HN 0.469 nan 8.290 nan 0.000 0.536 202 V N 0.241 120.148 119.914 -0.011 0.000 3.050 202 V HA 0.271 4.384 4.120 -0.011 0.000 0.223 202 V C 2.276 178.367 176.094 -0.006 0.000 1.162 202 V CA 2.166 64.460 62.300 -0.009 0.000 1.247 202 V CB 0.385 32.210 31.823 0.003 0.000 1.125 202 V HN 0.929 nan 8.190 nan 0.000 0.508 203 S N -1.207 114.503 115.700 0.016 0.000 2.559 203 S HA 0.256 4.720 4.470 -0.011 0.000 0.226 203 S C 0.404 175.042 174.600 0.064 0.000 1.000 203 S CA -0.154 58.067 58.200 0.035 0.000 0.948 203 S CB 0.441 63.673 63.200 0.054 0.000 0.870 203 S HN 0.443 nan 8.310 nan 0.000 0.497 204 Q N 0.623 120.449 119.800 0.044 0.000 2.315 204 Q HA 0.582 4.916 4.340 -0.011 0.000 0.273 204 Q C -2.407 173.609 176.000 0.028 0.000 1.053 204 Q CA -0.628 55.214 55.803 0.066 0.000 0.817 204 Q CB 2.230 30.995 28.738 0.046 0.000 1.326 204 Q HN 0.403 nan 8.270 nan 0.000 0.423 205 L N 5.615 126.856 121.223 0.031 0.000 2.404 205 L HA 0.553 4.887 4.340 -0.011 0.000 0.272 205 L C -2.554 174.324 176.870 0.013 0.000 0.980 205 L CA -1.463 53.377 54.840 -0.000 0.000 0.836 205 L CB 2.179 44.217 42.059 -0.034 0.000 1.238 205 L HN 0.455 nan 8.230 nan 0.000 0.408 206 P HA 0.309 nan 4.420 nan 0.000 0.275 206 P C -1.138 176.163 177.300 0.002 0.000 1.228 206 P CA -0.082 63.028 63.100 0.017 0.000 0.786 206 P CB 0.693 32.397 31.700 0.007 0.000 0.927 207 L N 2.648 123.880 121.223 0.015 0.000 2.341 207 L HA 0.453 4.787 4.340 -0.011 0.000 0.267 207 L C 1.709 178.552 176.870 -0.046 0.000 1.009 207 L CA -0.843 53.987 54.840 -0.017 0.000 0.819 207 L CB 1.894 43.976 42.059 0.038 0.000 1.323 207 L HN 0.321 nan 8.230 nan 0.000 0.425 208 R N 1.183 121.591 120.500 -0.153 0.000 2.105 208 R HA -0.086 4.248 4.340 -0.011 0.000 0.239 208 R C -0.655 175.606 176.300 -0.066 0.000 1.135 208 R CA 1.611 57.608 56.100 -0.171 0.000 0.967 208 R CB -0.135 29.962 30.300 -0.339 0.000 0.861 208 R HN 0.613 nan 8.270 nan 0.000 0.442 209 Y N -4.874 115.451 120.300 0.042 0.000 2.852 209 Y HA 0.495 5.036 4.550 -0.015 0.000 0.350 209 Y C 0.173 176.067 175.900 -0.008 0.000 1.272 209 Y CA -1.091 57.010 58.100 0.002 0.000 1.086 209 Y CB 0.044 38.490 38.460 -0.023 0.000 1.408 209 Y HN -0.099 nan 8.280 nan 0.000 0.447 210 G N 0.317 109.204 108.800 0.145 0.000 3.086 210 G HA2 0.230 4.184 3.960 -0.011 0.000 0.159 210 G HA3 0.230 4.184 3.960 -0.011 0.000 0.159 210 G C 0.537 175.309 174.900 -0.212 0.000 1.654 210 G CA 0.125 45.062 45.100 -0.272 0.000 1.078 210 G HN 0.729 nan 8.290 nan 0.000 0.558 211 M N 0.180 119.500 119.600 -0.466 0.000 2.213 211 M HA 0.094 4.568 4.480 -0.011 0.000 0.263 211 M C 0.257 176.553 176.300 -0.007 0.000 1.062 211 M CA 0.986 56.185 55.300 -0.168 0.000 1.105 211 M CB -0.206 32.285 32.600 -0.181 0.000 1.385 211 M HN 0.311 nan 8.290 nan 0.000 0.417 212 N N -2.090 116.532 118.700 -0.129 0.000 2.416 212 N HA 0.267 5.001 4.740 -0.011 0.000 0.276 212 N C -2.445 172.765 175.510 -0.501 0.000 1.261 212 N CA -1.212 51.725 53.050 -0.187 0.000 0.790 212 N CB 1.167 39.599 38.487 -0.093 0.000 1.554 212 N HN -0.293 nan 8.380 nan 0.000 0.481 213 P HA -0.175 nan 4.420 nan 0.000 0.217 213 P C 1.030 178.085 177.300 -0.409 0.000 1.148 213 P CA 1.485 63.961 63.100 -1.041 0.000 0.828 213 P CB -0.092 31.250 31.700 -0.597 0.000 0.783 214 H N -1.578 117.343 119.070 -0.247 0.000 2.555 214 H HA 0.119 4.668 4.556 -0.012 0.000 0.269 214 H C 0.105 175.388 175.328 -0.075 0.000 0.988 214 H CA 0.297 56.271 56.048 -0.123 0.000 1.178 214 H CB -0.530 29.178 29.762 -0.089 0.000 1.373 214 H HN 0.221 nan 8.280 nan 0.000 0.588 215 Q N 2.222 121.763 119.800 -0.432 0.000 2.465 215 Q HA 0.339 4.673 4.340 -0.011 0.000 0.237 215 Q C -0.536 175.410 176.000 -0.089 0.000 1.051 215 Q CA -0.526 55.106 55.803 -0.286 0.000 0.874 215 Q CB 1.379 29.879 28.738 -0.396 0.000 1.207 215 Q HN 0.454 nan 8.270 nan 0.000 0.508 216 S N 1.166 116.851 115.700 -0.026 0.000 2.588 216 S HA 0.791 5.254 4.470 -0.011 0.000 0.275 216 S C -2.300 172.314 174.600 0.024 0.000 1.130 216 S CA -1.199 57.021 58.200 0.033 0.000 0.855 216 S CB 1.261 64.505 63.200 0.073 0.000 1.116 216 S HN 0.403 nan 8.310 nan 0.000 0.472 217 P HA 0.825 nan 4.420 nan 0.000 0.282 217 P C -1.007 176.332 177.300 0.064 0.000 1.287 217 P CA -0.616 62.517 63.100 0.056 0.000 0.792 217 P CB 0.846 32.577 31.700 0.053 0.000 1.163 218 A N -0.112 122.763 122.820 0.090 0.000 2.606 218 A HA 0.673 4.987 4.320 -0.011 0.000 0.293 218 A C -1.327 176.347 177.584 0.150 0.000 1.082 218 A CA -0.518 51.603 52.037 0.140 0.000 0.685 218 A CB 1.849 20.951 19.000 0.170 0.000 1.284 218 A HN 0.797 nan 8.150 nan 0.000 0.408 219 Q N -0.323 119.593 119.800 0.193 0.000 2.702 219 Q HA 0.698 5.031 4.340 -0.011 0.000 0.289 219 Q C -2.052 174.021 176.000 0.121 0.000 0.923 219 Q CA -0.871 55.020 55.803 0.146 0.000 0.787 219 Q CB 1.375 30.210 28.738 0.162 0.000 1.476 219 Q HN 1.237 nan 8.270 nan 0.000 0.402 220 L N 2.046 123.303 121.223 0.057 0.000 2.365 220 L HA 0.819 5.152 4.340 -0.011 0.000 0.273 220 L C -1.734 175.175 176.870 0.065 0.000 1.000 220 L CA -0.321 54.493 54.840 -0.042 0.000 0.819 220 L CB 1.715 43.700 42.059 -0.122 0.000 1.284 220 L HN 0.760 nan 8.230 nan 0.000 0.418 221 Y N 1.040 121.316 120.300 -0.040 0.000 2.670 221 Y HA 0.836 5.381 4.550 -0.008 0.000 0.334 221 Y C -1.124 174.761 175.900 -0.025 0.000 1.185 221 Y CA -0.870 57.213 58.100 -0.028 0.000 1.053 221 Y CB 1.339 39.797 38.460 -0.002 0.000 1.298 221 Y HN 0.696 nan 8.280 nan 0.000 0.459 222 T N -0.380 114.335 114.554 0.270 0.000 2.903 222 T HA 0.393 4.737 4.350 -0.011 0.000 0.299 222 T C 0.308 175.163 174.700 0.258 0.000 1.093 222 T CA -0.041 62.161 62.100 0.170 0.000 1.002 222 T CB 1.325 70.226 68.868 0.056 0.000 1.127 222 T HN 1.087 nan 8.240 nan 0.000 0.488 223 T N 0.682 115.356 114.554 0.201 0.000 3.129 223 T HA 0.321 4.664 4.350 -0.011 0.000 0.251 223 T C 0.830 175.589 174.700 0.098 0.000 1.117 223 T CA -0.105 62.084 62.100 0.149 0.000 1.034 223 T CB -0.100 68.847 68.868 0.132 0.000 0.968 223 T HN 0.471 nan 8.240 nan 0.000 0.526 224 R N 1.343 121.901 120.500 0.097 0.000 2.546 224 R HA 0.318 4.652 4.340 -0.011 0.000 0.266 224 R C -1.735 174.602 176.300 0.063 0.000 1.086 224 R CA -2.086 54.061 56.100 0.078 0.000 1.160 224 R CB -0.098 30.259 30.300 0.094 0.000 1.138 224 R HN -0.030 nan 8.270 nan 0.000 0.567 225 P HA -0.162 nan 4.420 nan 0.000 0.219 225 P C -0.662 176.656 177.300 0.030 0.000 1.146 225 P CA 1.583 64.707 63.100 0.040 0.000 0.808 225 P CB 0.228 31.947 31.700 0.032 0.000 0.779 226 K N -2.240 118.174 120.400 0.023 0.000 2.551 226 K HA 0.381 4.695 4.320 -0.011 0.000 0.269 226 K C -1.153 175.429 176.600 -0.030 0.000 0.949 226 K CA -0.945 55.341 56.287 -0.001 0.000 0.849 226 K CB 0.837 33.331 32.500 -0.010 0.000 1.411 226 K HN -0.220 nan 8.250 nan 0.000 0.432 227 L N 2.454 123.639 121.223 -0.063 0.000 2.439 227 L HA 0.202 4.535 4.340 -0.011 0.000 0.269 227 L C -1.172 175.579 176.870 -0.199 0.000 1.179 227 L CA -1.450 53.306 54.840 -0.140 0.000 0.828 227 L CB 0.637 42.615 42.059 -0.135 0.000 1.106 227 L HN 0.697 nan 8.230 nan 0.000 0.467 228 P HA 0.017 nan 4.420 nan 0.000 0.240 228 P C -0.174 176.915 177.300 -0.353 0.000 1.190 228 P CA 0.303 63.169 63.100 -0.390 0.000 0.781 228 P CB 0.523 31.730 31.700 -0.823 0.000 0.931 229 L N 1.512 122.535 121.223 -0.333 0.000 2.307 229 L HA 0.473 4.806 4.340 -0.011 0.000 0.284 229 L C -0.270 176.484 176.870 -0.194 0.000 1.023 229 L CA -0.280 54.387 54.840 -0.288 0.000 0.810 229 L CB 1.532 43.413 42.059 -0.298 0.000 1.231 229 L HN -0.135 nan 8.230 nan 0.000 0.423 230 T N 1.688 116.147 114.554 -0.158 0.000 2.876 230 T HA 0.661 5.004 4.350 -0.011 0.000 0.289 230 T C -0.585 174.058 174.700 -0.094 0.000 1.014 230 T CA -0.807 61.227 62.100 -0.111 0.000 0.986 230 T CB 1.475 70.290 68.868 -0.087 0.000 1.021 230 T HN 0.279 nan 8.240 nan 0.000 0.458 231 V N 3.769 123.632 119.914 -0.085 0.000 2.385 231 V HA 0.173 4.287 4.120 -0.011 0.000 0.269 231 V C 1.123 177.167 176.094 -0.084 0.000 1.043 231 V CA -0.349 61.901 62.300 -0.084 0.000 0.906 231 V CB 0.852 32.628 31.823 -0.078 0.000 0.995 231 V HN 0.935 nan 8.190 nan 0.000 0.467 232 V N 3.898 123.749 119.914 -0.105 0.000 2.825 232 V HA 0.163 4.277 4.120 -0.011 0.000 0.246 232 V C 0.674 176.692 176.094 -0.128 0.000 1.068 232 V CA 0.836 63.062 62.300 -0.122 0.000 1.088 232 V CB -0.262 31.448 31.823 -0.189 0.000 0.733 232 V HN 0.905 nan 8.190 nan 0.000 0.468 233 N N -1.760 116.856 118.700 -0.140 0.000 2.484 233 N HA 0.540 5.273 4.740 -0.011 0.000 0.269 233 N C -0.139 175.304 175.510 -0.111 0.000 1.237 233 N CA 0.639 53.621 53.050 -0.115 0.000 0.838 233 N CB 1.953 40.368 38.487 -0.120 0.000 1.593 233 N HN 0.415 nan 8.380 nan 0.000 0.485 234 G N 0.489 109.243 108.800 -0.076 0.000 2.645 234 G HA2 -0.123 3.831 3.960 -0.011 0.000 0.246 234 G HA3 -0.123 3.831 3.960 -0.011 0.000 0.246 234 G C -1.241 173.619 174.900 -0.067 0.000 1.322 234 G CA -0.025 45.033 45.100 -0.070 0.000 0.898 234 G HN 0.894 nan 8.290 nan 0.000 0.573 235 S N 2.041 117.704 115.700 -0.062 0.000 2.775 235 S HA 0.605 5.069 4.470 -0.011 0.000 0.277 235 S C -2.274 172.291 174.600 -0.057 0.000 1.156 235 S CA -0.332 57.832 58.200 -0.059 0.000 1.081 235 S CB 2.504 65.673 63.200 -0.052 0.000 1.054 235 S HN 0.858 nan 8.310 nan 0.000 0.482 236 P HA 0.359 nan 4.420 nan 0.000 0.275 236 P C 0.291 177.545 177.300 -0.076 0.000 1.228 236 P CA -0.097 62.974 63.100 -0.048 0.000 0.786 236 P CB 0.726 32.382 31.700 -0.073 0.000 0.927 237 G N 0.566 109.328 108.800 -0.064 0.000 2.557 237 G HA2 0.248 4.202 3.960 -0.011 0.000 0.302 237 G HA3 0.248 4.202 3.960 -0.011 0.000 0.302 237 G C 0.173 175.059 174.900 -0.024 0.000 1.311 237 G CA -0.729 44.325 45.100 -0.077 0.000 1.030 237 G HN 0.415 nan 8.290 nan 0.000 0.509 238 F N -0.251 119.639 119.950 -0.100 0.000 2.075 238 F HA -0.034 4.477 4.527 -0.025 0.000 0.297 238 F C 2.538 178.314 175.800 -0.040 0.000 1.113 238 F CA 1.508 59.477 58.000 -0.052 0.000 1.218 238 F CB -0.057 38.943 39.000 0.001 0.000 0.984 238 F HN 0.230 nan 8.300 nan 0.000 0.472 239 I N 0.195 120.931 120.570 0.276 0.000 2.286 239 I HA -0.332 3.831 4.170 -0.011 0.000 0.248 239 I C 1.929 178.033 176.117 -0.022 0.000 1.115 239 I CA 1.636 63.035 61.300 0.166 0.000 1.392 239 I CB -0.791 37.325 38.000 0.194 0.000 1.065 239 I HN 0.255 nan 8.210 nan 0.000 0.418 240 N N 0.974 119.639 118.700 -0.058 0.000 2.061 240 N HA -0.204 4.530 4.740 -0.011 0.000 0.193 240 N C 1.919 177.095 175.510 -0.558 0.000 1.030 240 N CA 1.174 54.089 53.050 -0.225 0.000 0.856 240 N CB -0.147 38.284 38.487 -0.093 0.000 1.023 240 N HN 0.270 nan 8.380 nan 0.000 0.424 241 L N 0.248 121.226 121.223 -0.408 0.000 2.093 241 L HA -0.158 4.176 4.340 -0.011 0.000 0.208 241 L C 2.313 178.949 176.870 -0.389 0.000 1.085 241 L CA 0.638 55.210 54.840 -0.446 0.000 0.755 241 L CB -0.391 41.432 42.059 -0.394 0.000 0.904 241 L HN 0.404 nan 8.230 nan 0.000 0.435 242 C N -0.317 118.801 119.300 -0.304 0.000 2.425 242 C HA -0.154 4.300 4.460 -0.011 0.000 0.277 242 C C 2.440 177.364 174.990 -0.110 0.000 1.280 242 C CA 0.469 59.391 59.018 -0.161 0.000 1.744 242 C CB -0.719 27.005 27.740 -0.027 0.000 1.989 242 C HN 0.545 nan 8.230 nan 0.000 0.491 243 D N 0.870 121.175 120.400 -0.157 0.000 2.097 243 D HA -0.056 4.577 4.640 -0.011 0.000 0.197 243 D C 2.365 178.390 176.300 -0.459 0.000 0.984 243 D CA 1.645 55.572 54.000 -0.121 0.000 0.826 243 D CB -0.538 40.270 40.800 0.013 0.000 0.973 243 D HN 0.461 nan 8.370 nan 0.000 0.460 244 A N 1.158 123.550 122.820 -0.713 0.000 1.873 244 A HA -0.172 4.142 4.320 -0.011 0.000 0.218 244 A C 2.439 179.827 177.584 -0.327 0.000 1.193 244 A CA 1.219 52.864 52.037 -0.654 0.000 0.629 244 A CB -0.939 17.541 19.000 -0.866 0.000 0.826 244 A HN 0.214 nan 8.150 nan 0.000 0.447 245 L N -0.545 120.509 121.223 -0.281 0.000 2.141 245 L HA -0.142 4.192 4.340 -0.011 0.000 0.209 245 L C 2.303 179.096 176.870 -0.127 0.000 1.094 245 L CA 0.990 55.746 54.840 -0.139 0.000 0.763 245 L CB -0.520 41.464 42.059 -0.126 0.000 0.908 245 L HN 0.424 nan 8.230 nan 0.000 0.437 246 N N 0.076 118.646 118.700 -0.215 0.000 2.290 246 N HA -0.042 4.692 4.740 -0.011 0.000 0.179 246 N C 1.905 177.044 175.510 -0.618 0.000 1.016 246 N CA 1.261 54.170 53.050 -0.234 0.000 0.871 246 N CB 0.090 38.644 38.487 0.112 0.000 0.987 246 N HN 0.257 nan 8.380 nan 0.000 0.431 247 A N 1.200 123.453 122.820 -0.945 0.000 1.969 247 A HA -0.134 4.179 4.320 -0.011 0.000 0.218 247 A C 1.995 179.352 177.584 -0.379 0.000 1.169 247 A CA 0.649 52.102 52.037 -0.973 0.000 0.635 247 A CB -0.968 17.469 19.000 -0.938 0.000 0.810 247 A HN 0.577 nan 8.150 nan 0.000 0.445 248 W N 0.774 121.847 121.300 -0.379 0.000 2.355 248 W HA -0.223 4.429 4.660 -0.014 0.000 0.309 248 W C 1.961 178.325 176.519 -0.258 0.000 1.206 248 W CA 1.892 59.094 57.345 -0.237 0.000 1.284 248 W CB -0.280 29.071 29.460 -0.182 0.000 1.145 248 W HN 0.494 nan 8.180 nan 0.000 0.502 249 Q N 0.672 120.157 119.800 -0.524 0.000 2.084 249 Q HA -0.240 4.094 4.340 -0.011 0.000 0.202 249 Q C 2.499 178.059 176.000 -0.733 0.000 0.978 249 Q CA 1.920 57.328 55.803 -0.660 0.000 0.844 249 Q CB -0.603 27.753 28.738 -0.637 0.000 0.898 249 Q HN 0.376 nan 8.270 nan 0.000 0.426 250 L N 0.684 121.412 121.223 -0.825 0.000 1.989 250 L HA -0.208 4.126 4.340 -0.011 0.000 0.211 250 L C 2.392 179.105 176.870 -0.262 0.000 1.071 250 L CA 1.609 56.198 54.840 -0.417 0.000 0.749 250 L CB -0.356 41.614 42.059 -0.147 0.000 0.890 250 L HN 0.255 nan 8.230 nan 0.000 0.431 251 V N -2.558 117.171 119.914 -0.308 0.000 2.515 251 V HA -0.254 3.860 4.120 -0.011 0.000 0.250 251 V C 2.476 178.327 176.094 -0.407 0.000 1.058 251 V CA 2.021 64.158 62.300 -0.273 0.000 1.064 251 V CB -0.879 30.820 31.823 -0.207 0.000 0.675 251 V HN 0.513 nan 8.190 nan 0.000 0.461 252 K N 0.508 120.487 120.400 -0.701 0.000 2.057 252 K HA -0.194 4.119 4.320 -0.011 0.000 0.206 252 K C 2.213 178.610 176.600 -0.337 0.000 1.050 252 K CA 2.035 57.914 56.287 -0.680 0.000 0.935 252 K CB -0.210 31.718 32.500 -0.953 0.000 0.715 252 K HN 0.663 nan 8.250 nan 0.000 0.439 253 E N 0.536 120.572 120.200 -0.274 0.000 2.152 253 E HA -0.131 4.213 4.350 -0.011 0.000 0.192 253 E C 2.072 178.619 176.600 -0.088 0.000 0.983 253 E CA 0.776 57.099 56.400 -0.129 0.000 0.818 253 E CB 0.040 29.713 29.700 -0.045 0.000 0.758 253 E HN 0.288 nan 8.360 nan 0.000 0.467 254 L N 1.019 122.187 121.223 -0.093 0.000 2.017 254 L HA -0.210 4.124 4.340 -0.011 0.000 0.208 254 L C 2.640 179.478 176.870 -0.054 0.000 1.073 254 L CA 1.283 56.094 54.840 -0.048 0.000 0.745 254 L CB -0.305 41.734 42.059 -0.033 0.000 0.894 254 L HN 0.071 nan 8.230 nan 0.000 0.432 255 K N -0.049 120.299 120.400 -0.087 0.000 2.057 255 K HA -0.225 4.088 4.320 -0.011 0.000 0.207 255 K C 2.083 178.649 176.600 -0.057 0.000 1.049 255 K CA 1.457 57.703 56.287 -0.069 0.000 0.931 255 K CB 0.011 32.455 32.500 -0.094 0.000 0.714 255 K HN 0.353 nan 8.250 nan 0.000 0.440 256 Q N -0.376 119.381 119.800 -0.072 0.000 2.084 256 Q HA -0.121 4.212 4.340 -0.011 0.000 0.202 256 Q C 2.076 178.052 176.000 -0.040 0.000 0.978 256 Q CA 1.512 57.282 55.803 -0.054 0.000 0.844 256 Q CB -0.085 28.615 28.738 -0.063 0.000 0.898 256 Q HN 0.425 nan 8.270 nan 0.000 0.426 257 A N 0.186 122.983 122.820 -0.038 0.000 1.970 257 A HA -0.029 4.285 4.320 -0.011 0.000 0.216 257 A C 1.772 179.348 177.584 -0.015 0.000 1.170 257 A CA 0.928 52.948 52.037 -0.028 0.000 0.645 257 A CB -0.029 18.957 19.000 -0.023 0.000 0.816 257 A HN 0.278 nan 8.150 nan 0.000 0.447 258 L N -2.290 118.926 121.223 -0.012 0.000 2.781 258 L HA 0.306 4.639 4.340 -0.011 0.000 0.245 258 L C 1.502 178.370 176.870 -0.004 0.000 1.118 258 L CA 0.421 55.259 54.840 -0.002 0.000 0.918 258 L CB 0.148 42.210 42.059 0.006 0.000 1.246 258 L HN 0.479 nan 8.230 nan 0.000 0.526 259 G N 1.877 110.671 108.800 -0.010 0.000 2.198 259 G HA2 -0.285 3.669 3.960 -0.011 0.000 0.260 259 G HA3 -0.285 3.669 3.960 -0.011 0.000 0.260 259 G C 0.007 174.906 174.900 -0.002 0.000 1.025 259 G CA 0.370 45.466 45.100 -0.008 0.000 0.769 259 G HN 0.328 nan 8.290 nan 0.000 0.507 260 I N -0.014 120.556 120.570 0.000 0.000 2.545 260 I HA 0.334 4.498 4.170 -0.011 0.000 0.292 260 I C -2.237 173.885 176.117 0.009 0.000 1.040 260 I CA -2.770 58.535 61.300 0.009 0.000 1.068 260 I CB 2.367 40.377 38.000 0.016 0.000 1.251 260 I HN -0.207 nan 8.210 nan 0.000 0.424 261 P HA 0.052 nan 4.420 nan 0.000 0.263 261 P C -0.900 176.416 177.300 0.027 0.000 1.175 261 P CA 0.202 63.313 63.100 0.018 0.000 0.761 261 P CB 0.549 32.266 31.700 0.029 0.000 0.794 262 A N 2.134 124.964 122.820 0.017 0.000 2.479 262 A HA 0.908 5.222 4.320 -0.011 0.000 0.296 262 A C -1.077 176.540 177.584 0.055 0.000 1.121 262 A CA -0.290 51.765 52.037 0.030 0.000 0.743 262 A CB 1.873 20.870 19.000 -0.005 0.000 1.323 262 A HN 0.550 nan 8.150 nan 0.000 0.415 263 A N -0.672 122.207 122.820 0.098 0.000 2.609 263 A HA 0.996 5.310 4.320 -0.011 0.000 0.291 263 A C -0.609 177.090 177.584 0.192 0.000 1.096 263 A CA -0.042 52.092 52.037 0.161 0.000 0.684 263 A CB 1.205 20.362 19.000 0.262 0.000 1.282 263 A HN 2.624 nan 8.150 nan 0.000 0.412 264 A N -0.243 122.732 122.820 0.258 0.000 2.549 264 A HA 0.823 5.137 4.320 -0.011 0.000 0.297 264 A C -0.613 177.228 177.584 0.428 0.000 1.061 264 A CA 0.151 52.382 52.037 0.323 0.000 0.690 264 A CB 1.477 20.690 19.000 0.355 0.000 1.287 264 A HN 1.982 nan 8.150 nan 0.000 0.402 265 S N 1.175 117.132 115.700 0.428 0.000 2.640 265 S HA 0.739 5.202 4.470 -0.011 0.000 0.320 265 S C -1.420 173.444 174.600 0.439 0.000 1.097 265 S CA -0.279 58.179 58.200 0.431 0.000 1.092 265 S CB -0.180 63.202 63.200 0.302 0.000 0.988 265 S HN 0.461 nan 8.310 nan 0.000 0.470 266 F N 3.241 123.326 119.950 0.224 0.000 2.470 266 F HA 0.768 5.285 4.527 -0.017 0.000 0.329 266 F C 0.218 176.136 175.800 0.195 0.000 1.072 266 F CA -0.718 57.405 58.000 0.205 0.000 0.989 266 F CB 1.954 41.078 39.000 0.208 0.000 1.193 266 F HN 0.506 nan 8.300 nan 0.000 0.481 267 K N 1.322 121.858 120.400 0.227 0.000 2.589 267 K HA 0.311 4.625 4.320 -0.011 0.000 0.253 267 K C -0.800 175.918 176.600 0.196 0.000 0.974 267 K CA -0.391 56.007 56.287 0.186 0.000 0.835 267 K CB 0.310 32.921 32.500 0.185 0.000 1.272 267 K HN 0.577 nan 8.250 nan 0.000 0.444 268 H N 3.135 122.325 119.070 0.200 0.000 2.713 268 H HA -0.140 4.408 4.556 -0.014 0.000 0.311 268 H C -0.231 175.200 175.328 0.172 0.000 1.175 268 H CA 1.237 57.387 56.048 0.170 0.000 1.143 268 H CB -1.343 28.497 29.762 0.131 0.000 1.434 268 H HN 0.689 nan 8.280 nan 0.000 0.418 269 V N -1.740 118.364 119.914 0.316 0.000 4.349 269 V HA -0.305 3.809 4.120 -0.011 0.000 0.247 269 V C 0.657 176.923 176.094 0.287 0.000 0.442 269 V CA 1.588 64.120 62.300 0.387 0.000 0.865 269 V CB -1.895 30.109 31.823 0.301 0.000 0.887 269 V HN 0.591 nan 8.190 nan 0.000 1.302 270 S N 0.156 115.823 115.700 -0.054 0.000 2.564 270 S HA 0.679 5.143 4.470 -0.011 0.000 0.274 270 S C -2.820 171.179 174.600 -1.001 0.000 1.124 270 S CA -0.905 57.074 58.200 -0.369 0.000 0.869 270 S CB 3.295 66.442 63.200 -0.088 0.000 1.105 270 S HN 0.264 nan 8.310 nan 0.000 0.472 271 P HA 0.276 nan 4.420 nan 0.000 0.282 271 P C -0.075 177.077 177.300 -0.247 0.000 1.262 271 P CA -0.202 62.423 63.100 -0.791 0.000 0.773 271 P CB 1.117 32.618 31.700 -0.332 0.000 0.879 272 A N 3.682 126.448 122.820 -0.091 0.000 1.970 272 A HA 0.368 4.682 4.320 -0.011 0.000 0.216 272 A C 1.120 178.729 177.584 0.041 0.000 1.170 272 A CA 1.446 53.496 52.037 0.021 0.000 0.645 272 A CB -0.638 18.417 19.000 0.092 0.000 0.816 272 A HN 0.657 nan 8.150 nan 0.000 0.447 273 G N -2.900 105.935 108.800 0.058 0.000 2.677 273 G HA2 0.688 4.642 3.960 -0.011 0.000 0.291 273 G HA3 0.688 4.642 3.960 -0.011 0.000 0.291 273 G C -1.224 173.738 174.900 0.104 0.000 1.435 273 G CA 0.121 45.260 45.100 0.064 0.000 0.826 273 G HN 1.235 nan 8.290 nan 0.000 0.491 274 A N -0.996 121.876 122.820 0.087 0.000 2.605 274 A HA 1.115 5.429 4.320 -0.011 0.000 0.294 274 A C -0.481 177.150 177.584 0.077 0.000 1.062 274 A CA 0.299 52.406 52.037 0.116 0.000 0.682 274 A CB 1.277 20.358 19.000 0.136 0.000 1.278 274 A HN 2.679 nan 8.150 nan 0.000 0.410 275 A N -0.199 122.671 122.820 0.083 0.000 2.544 275 A HA 0.778 5.092 4.320 -0.011 0.000 0.291 275 A C -0.679 176.943 177.584 0.065 0.000 1.055 275 A CA 0.077 52.152 52.037 0.064 0.000 0.651 275 A CB 0.072 19.111 19.000 0.065 0.000 1.296 275 A HN 2.325 nan 8.150 nan 0.000 0.431 276 V N -1.244 118.702 119.914 0.054 0.000 2.966 276 V HA 0.837 4.951 4.120 -0.011 0.000 0.317 276 V C 0.935 177.066 176.094 0.062 0.000 1.070 276 V CA -0.093 62.236 62.300 0.049 0.000 1.008 276 V CB 1.437 33.280 31.823 0.034 0.000 1.070 276 V HN 1.921 nan 8.190 nan 0.000 0.457 277 G N 2.685 111.521 108.800 0.060 0.000 3.180 277 G HA2 0.258 4.212 3.960 -0.011 0.000 0.252 277 G HA3 0.258 4.212 3.960 -0.011 0.000 0.252 277 G C 0.163 175.104 174.900 0.069 0.000 0.871 277 G CA -0.229 44.912 45.100 0.069 0.000 1.979 277 G HN 0.477 nan 8.290 nan 0.000 0.624 278 I N 2.524 123.140 120.570 0.077 0.000 2.471 278 I HA 0.172 4.336 4.170 -0.011 0.000 0.286 278 I C -1.589 174.589 176.117 0.102 0.000 1.079 278 I CA -3.311 58.038 61.300 0.081 0.000 1.398 278 I CB 0.765 38.816 38.000 0.085 0.000 1.403 278 I HN 0.175 nan 8.210 nan 0.000 0.530 279 P HA 0.052 nan 4.420 nan 0.000 0.265 279 P C -0.692 176.705 177.300 0.162 0.000 1.187 279 P CA -0.307 62.863 63.100 0.118 0.000 0.766 279 P CB 0.727 32.479 31.700 0.087 0.000 0.820 280 L N 2.317 123.672 121.223 0.219 0.000 2.357 280 L HA 0.264 4.598 4.340 -0.011 0.000 0.273 280 L C 1.382 178.431 176.870 0.298 0.000 1.080 280 L CA 0.136 55.113 54.840 0.229 0.000 0.803 280 L CB 0.656 42.812 42.059 0.162 0.000 1.174 280 L HN 0.456 nan 8.230 nan 0.000 0.443 281 S N 0.515 116.329 115.700 0.190 0.000 2.645 281 S HA 0.234 4.698 4.470 -0.011 0.000 0.266 281 S C 0.859 175.490 174.600 0.052 0.000 1.258 281 S CA -0.552 57.759 58.200 0.185 0.000 0.990 281 S CB 0.598 63.895 63.200 0.161 0.000 0.967 281 S HN 0.655 nan 8.310 nan 0.000 0.556 282 E N 0.639 120.908 120.200 0.116 0.000 2.118 282 E HA -0.187 4.157 4.350 -0.011 0.000 0.195 282 E C 1.790 178.386 176.600 -0.008 0.000 0.992 282 E CA 1.596 58.002 56.400 0.010 0.000 0.804 282 E CB -0.163 29.645 29.700 0.178 0.000 0.741 282 E HN 0.736 nan 8.360 nan 0.000 0.458 283 E N 0.616 120.828 120.200 0.021 0.000 2.072 283 E HA -0.188 4.156 4.350 -0.011 0.000 0.191 283 E C 1.892 178.436 176.600 -0.093 0.000 0.985 283 E CA 0.937 57.324 56.400 -0.022 0.000 0.801 283 E CB 0.011 29.733 29.700 0.038 0.000 0.750 283 E HN 0.062 nan 8.360 nan 0.000 0.452 284 E N 0.506 120.691 120.200 -0.026 0.000 2.106 284 E HA -0.085 4.259 4.350 -0.011 0.000 0.192 284 E C 1.832 178.384 176.600 -0.080 0.000 0.984 284 E CA 1.173 57.560 56.400 -0.021 0.000 0.806 284 E CB -0.298 29.490 29.700 0.147 0.000 0.750 284 E HN 0.243 nan 8.360 nan 0.000 0.458 285 A N 0.403 123.125 122.820 -0.163 0.000 1.940 285 A HA -0.264 4.049 4.320 -0.011 0.000 0.219 285 A C 2.130 179.671 177.584 -0.071 0.000 1.176 285 A CA 1.773 53.692 52.037 -0.197 0.000 0.631 285 A CB -0.533 18.118 19.000 -0.581 0.000 0.814 285 A HN 0.334 nan 8.150 nan 0.000 0.446 286 Q N -0.639 119.123 119.800 -0.063 0.000 2.046 286 Q HA -0.112 4.222 4.340 -0.011 0.000 0.200 286 Q C 2.188 178.108 176.000 -0.133 0.000 0.975 286 Q CA 1.650 57.398 55.803 -0.091 0.000 0.836 286 Q CB -0.339 28.304 28.738 -0.159 0.000 0.896 286 Q HN 0.497 nan 8.270 nan 0.000 0.428 287 V N 0.145 119.932 119.914 -0.212 0.000 2.392 287 V HA -0.271 3.843 4.120 -0.011 0.000 0.249 287 V C 1.955 177.981 176.094 -0.113 0.000 1.059 287 V CA 1.326 63.469 62.300 -0.262 0.000 1.051 287 V CB -0.313 31.167 31.823 -0.572 0.000 0.658 287 V HN 0.469 nan 8.190 nan 0.000 0.455 288 C N 0.409 119.675 119.300 -0.058 0.000 2.613 288 C HA 0.245 4.699 4.460 -0.011 0.000 0.273 288 C C 1.350 176.335 174.990 -0.009 0.000 1.304 288 C CA -0.526 58.492 59.018 -0.000 0.000 1.702 288 C CB -1.275 26.482 27.740 0.029 0.000 1.792 288 C HN 0.661 nan 8.230 nan 0.000 0.588 289 M N -0.465 119.120 119.600 -0.025 0.000 2.461 289 M HA -0.139 4.335 4.480 -0.011 0.000 0.203 289 M C 0.464 176.766 176.300 0.004 0.000 0.428 289 M CA 0.828 56.116 55.300 -0.020 0.000 0.509 289 M CB -2.411 30.176 32.600 -0.022 0.000 1.851 289 M HN 0.456 nan 8.290 nan 0.000 0.834 290 V N -4.340 115.585 119.914 0.017 0.000 3.111 290 V HA 0.223 4.336 4.120 -0.011 0.000 0.343 290 V C 1.731 177.849 176.094 0.041 0.000 1.417 290 V CA 0.290 62.610 62.300 0.034 0.000 1.142 290 V CB -0.002 31.847 31.823 0.042 0.000 1.114 290 V HN 0.591 nan 8.190 nan 0.000 0.520 291 H N 3.329 122.370 119.070 -0.049 0.000 2.352 291 H HA -0.177 4.372 4.556 -0.011 0.000 0.299 291 H C 1.871 177.215 175.328 0.027 0.000 1.097 291 H CA 2.576 58.596 56.048 -0.046 0.000 1.311 291 H CB 0.093 29.814 29.762 -0.068 0.000 1.377 291 H HN 0.765 nan 8.280 nan 0.000 0.504 292 D N 0.421 120.869 120.400 0.079 0.000 2.310 292 D HA -0.121 4.513 4.640 -0.011 0.000 0.212 292 D C 1.761 178.064 176.300 0.006 0.000 0.965 292 D CA 0.556 54.580 54.000 0.039 0.000 0.879 292 D CB -0.473 40.357 40.800 0.051 0.000 0.921 292 D HN 0.443 nan 8.370 nan 0.000 0.510 293 L N -0.884 120.350 121.223 0.019 0.000 2.766 293 L HA 0.180 4.514 4.340 -0.011 0.000 0.242 293 L C 2.200 179.106 176.870 0.061 0.000 1.136 293 L CA -0.390 54.468 54.840 0.031 0.000 0.933 293 L CB -0.345 41.740 42.059 0.042 0.000 1.241 293 L HN 0.049 nan 8.230 nan 0.000 0.522 294 H N 2.055 121.068 119.070 -0.095 0.000 2.292 294 H HA -0.251 4.299 4.556 -0.011 0.000 0.292 294 H C 1.626 176.920 175.328 -0.057 0.000 1.100 294 H CA 1.941 57.933 56.048 -0.092 0.000 1.238 294 H CB 0.365 30.012 29.762 -0.192 0.000 1.355 294 H HN 0.271 nan 8.280 nan 0.000 0.484 295 K N -0.291 120.050 120.400 -0.099 0.000 2.442 295 K HA -0.075 4.239 4.320 -0.011 0.000 0.198 295 K C 1.935 178.488 176.600 -0.077 0.000 1.042 295 K CA 1.368 57.566 56.287 -0.148 0.000 0.958 295 K CB 0.106 32.543 32.500 -0.105 0.000 0.766 295 K HN 0.491 nan 8.250 nan 0.000 0.474 296 T N -1.712 112.824 114.554 -0.030 0.000 3.044 296 T HA 0.167 4.511 4.350 -0.011 0.000 0.250 296 T C 0.659 175.365 174.700 0.010 0.000 1.081 296 T CA -0.325 61.770 62.100 -0.008 0.000 1.040 296 T CB -0.068 68.804 68.868 0.006 0.000 0.962 296 T HN -0.050 nan 8.240 nan 0.000 0.506 297 L N 3.982 125.218 121.223 0.022 0.000 2.513 297 L HA 0.270 4.604 4.340 -0.011 0.000 0.272 297 L C 1.107 177.999 176.870 0.036 0.000 1.187 297 L CA -0.423 54.448 54.840 0.051 0.000 0.895 297 L CB 0.167 42.284 42.059 0.098 0.000 1.147 297 L HN 0.375 nan 8.230 nan 0.000 0.483 298 T N 0.279 114.860 114.554 0.045 0.000 2.849 298 T HA 0.327 4.671 4.350 -0.011 0.000 0.276 298 T C -1.918 172.813 174.700 0.052 0.000 0.971 298 T CA -1.818 60.305 62.100 0.038 0.000 0.949 298 T CB 1.390 70.279 68.868 0.035 0.000 1.093 298 T HN 0.259 nan 8.240 nan 0.000 0.545 299 P HA -0.024 nan 4.420 nan 0.000 0.215 299 P C 1.738 179.079 177.300 0.068 0.000 1.157 299 P CA 0.309 63.442 63.100 0.054 0.000 0.863 299 P CB -0.074 31.650 31.700 0.041 0.000 0.787 300 L N -0.261 121.000 121.223 0.062 0.000 2.042 300 L HA -0.131 4.203 4.340 -0.011 0.000 0.210 300 L C 2.170 179.109 176.870 0.114 0.000 1.076 300 L CA 2.097 56.983 54.840 0.076 0.000 0.749 300 L CB -1.483 40.608 42.059 0.054 0.000 0.893 300 L HN -0.123 nan 8.230 nan 0.000 0.432 301 A N -1.797 121.087 122.820 0.107 0.000 1.969 301 A HA -0.146 4.168 4.320 -0.011 0.000 0.218 301 A C 2.375 180.049 177.584 0.150 0.000 1.169 301 A CA 1.749 53.870 52.037 0.141 0.000 0.635 301 A CB -0.785 18.281 19.000 0.109 0.000 0.810 301 A HN 0.516 nan 8.150 nan 0.000 0.445 302 S N -0.055 115.717 115.700 0.121 0.000 2.368 302 S HA -0.030 4.433 4.470 -0.011 0.000 0.225 302 S C 2.310 176.981 174.600 0.118 0.000 1.030 302 S CA 1.109 59.380 58.200 0.119 0.000 0.999 302 S CB -0.425 62.841 63.200 0.110 0.000 0.844 302 S HN 0.789 nan 8.310 nan 0.000 0.459 303 A N 0.477 123.371 122.820 0.123 0.000 1.902 303 A HA -0.137 4.177 4.320 -0.011 0.000 0.217 303 A C 1.997 179.674 177.584 0.155 0.000 1.181 303 A CA 1.600 53.712 52.037 0.126 0.000 0.623 303 A CB -0.880 18.191 19.000 0.118 0.000 0.818 303 A HN 0.567 nan 8.150 nan 0.000 0.443 304 Y N 0.510 120.860 120.300 0.083 0.000 2.220 304 Y HA 0.040 4.583 4.550 -0.012 0.000 0.291 304 Y C 2.660 178.619 175.900 0.099 0.000 1.129 304 Y CA 0.728 58.882 58.100 0.089 0.000 1.161 304 Y CB -0.707 37.800 38.460 0.079 0.000 0.997 304 Y HN 0.309 nan 8.280 nan 0.000 0.522 305 A N 0.777 123.558 122.820 -0.065 0.000 1.892 305 A HA -0.242 4.072 4.320 -0.011 0.000 0.218 305 A C 2.360 179.896 177.584 -0.080 0.000 1.188 305 A CA 2.103 54.080 52.037 -0.100 0.000 0.631 305 A CB -0.647 18.374 19.000 0.035 0.000 0.822 305 A HN 0.527 nan 8.150 nan 0.000 0.447 306 R N -0.351 120.157 120.500 0.013 0.000 2.092 306 R HA -0.064 4.270 4.340 -0.011 0.000 0.231 306 R C 2.540 178.860 176.300 0.033 0.000 1.119 306 R CA 1.486 57.634 56.100 0.080 0.000 0.970 306 R CB -0.398 29.971 30.300 0.115 0.000 0.864 306 R HN 0.535 nan 8.270 nan 0.000 0.440 307 S N 0.716 116.396 115.700 -0.033 0.000 2.348 307 S HA -0.143 4.321 4.470 -0.011 0.000 0.221 307 S C 1.868 176.424 174.600 -0.072 0.000 1.033 307 S CA 1.049 59.240 58.200 -0.015 0.000 1.010 307 S CB -0.203 63.036 63.200 0.065 0.000 0.891 307 S HN 0.307 nan 8.310 nan 0.000 0.442 308 R N 0.797 121.114 120.500 -0.305 0.000 2.189 308 R HA -0.030 4.304 4.340 -0.011 0.000 0.223 308 R C 2.192 178.473 176.300 -0.030 0.000 1.092 308 R CA 0.905 56.879 56.100 -0.211 0.000 0.989 308 R CB -0.438 29.589 30.300 -0.455 0.000 0.876 308 R HN 0.459 nan 8.270 nan 0.000 0.457 309 G N -0.413 108.394 108.800 0.011 0.000 2.534 309 G HA2 -0.162 3.792 3.960 -0.011 0.000 0.217 309 G HA3 -0.162 3.792 3.960 -0.011 0.000 0.217 309 G C 1.374 176.452 174.900 0.296 0.000 1.128 309 G CA 0.537 45.729 45.100 0.154 0.000 0.784 309 G HN 0.396 nan 8.290 nan 0.000 0.542 310 A N -0.115 122.830 122.820 0.209 0.000 1.865 310 A HA 0.002 4.316 4.320 -0.011 0.000 0.217 310 A C 1.208 178.944 177.584 0.253 0.000 1.191 310 A CA 1.635 53.791 52.037 0.198 0.000 0.623 310 A CB -0.028 19.009 19.000 0.060 0.000 0.826 310 A HN 0.301 nan 8.150 nan 0.000 0.444 311 D N -2.159 118.350 120.400 0.182 0.000 2.319 311 D HA 0.215 4.849 4.640 -0.011 0.000 0.237 311 D C 0.544 176.936 176.300 0.153 0.000 1.353 311 D CA -0.460 53.644 54.000 0.173 0.000 0.992 311 D CB 0.555 41.442 40.800 0.144 0.000 1.368 311 D HN 0.065 nan 8.370 nan 0.000 0.564 312 R N 2.246 122.838 120.500 0.152 0.000 2.105 312 R HA -0.076 4.258 4.340 -0.011 0.000 0.239 312 R C 1.853 178.254 176.300 0.169 0.000 1.135 312 R CA 1.076 57.261 56.100 0.142 0.000 0.967 312 R CB -0.052 30.322 30.300 0.124 0.000 0.861 312 R HN 0.541 nan 8.270 nan 0.000 0.442 313 M N -0.016 119.679 119.600 0.159 0.000 2.156 313 M HA -0.071 4.403 4.480 -0.011 0.000 0.264 313 M C 2.236 178.654 176.300 0.196 0.000 1.067 313 M CA 1.361 56.759 55.300 0.163 0.000 1.131 313 M CB -0.141 32.527 32.600 0.112 0.000 1.368 313 M HN -0.008 nan 8.290 nan 0.000 0.416 314 S N 0.206 116.008 115.700 0.171 0.000 2.399 314 S HA -0.085 4.379 4.470 -0.011 0.000 0.231 314 S C 1.856 176.582 174.600 0.210 0.000 1.022 314 S CA 1.316 59.623 58.200 0.178 0.000 0.983 314 S CB -0.209 63.077 63.200 0.142 0.000 0.803 314 S HN 0.389 nan 8.310 nan 0.000 0.480 315 S N 0.786 116.608 115.700 0.202 0.000 2.607 315 S HA 0.188 4.652 4.470 -0.011 0.000 0.224 315 S C 0.310 175.040 174.600 0.216 0.000 0.969 315 S CA -0.266 58.054 58.200 0.200 0.000 0.927 315 S CB -0.328 62.969 63.200 0.162 0.000 0.772 315 S HN 0.524 nan 8.310 nan 0.000 0.533 316 F N 2.866 122.887 119.950 0.119 0.000 2.590 316 F HA 0.365 4.884 4.527 -0.013 0.000 0.389 316 F C 1.261 177.132 175.800 0.119 0.000 1.049 316 F CA 0.583 58.648 58.000 0.109 0.000 1.199 316 F CB -0.153 38.905 39.000 0.097 0.000 1.058 316 F HN 0.262 nan 8.300 nan 0.000 0.556 317 G N 4.146 112.731 108.800 -0.359 0.000 2.221 317 G HA2 -0.296 3.658 3.960 -0.011 0.000 0.265 317 G HA3 -0.296 3.658 3.960 -0.011 0.000 0.265 317 G C -0.260 174.670 174.900 0.051 0.000 1.041 317 G CA 0.140 45.145 45.100 -0.158 0.000 0.807 317 G HN 1.046 nan 8.290 nan 0.000 0.502 318 D N -0.903 119.551 120.400 0.091 0.000 2.371 318 D HA 0.488 5.122 4.640 -0.011 0.000 0.242 318 D C -0.067 176.325 176.300 0.154 0.000 1.218 318 D CA -0.873 53.236 54.000 0.182 0.000 0.945 318 D CB 0.723 41.665 40.800 0.237 0.000 1.137 318 D HN 0.105 nan 8.370 nan 0.000 0.464 319 F N -0.025 120.027 119.950 0.171 0.000 2.426 319 F HA 0.432 4.956 4.527 -0.006 0.000 0.348 319 F C -0.420 175.470 175.800 0.150 0.000 1.124 319 F CA -1.063 57.003 58.000 0.111 0.000 1.008 319 F CB 0.741 39.779 39.000 0.064 0.000 1.139 319 F HN 0.211 nan 8.300 nan 0.000 0.452 320 I N 5.009 125.533 120.570 -0.076 0.000 2.488 320 I HA 0.640 4.804 4.170 -0.011 0.000 0.299 320 I C -0.239 175.968 176.117 0.150 0.000 0.984 320 I CA -0.776 60.566 61.300 0.070 0.000 1.250 320 I CB 1.541 39.439 38.000 -0.169 0.000 1.389 320 I HN 0.678 nan 8.210 nan 0.000 0.488 321 A N 7.086 130.012 122.820 0.176 0.000 2.371 321 A HA 0.885 5.199 4.320 -0.011 0.000 0.311 321 A C -1.022 176.646 177.584 0.140 0.000 1.068 321 A CA -0.498 51.647 52.037 0.181 0.000 0.744 321 A CB 1.140 20.214 19.000 0.123 0.000 1.239 321 A HN 0.654 nan 8.150 nan 0.000 0.435 322 L N 2.146 123.460 121.223 0.151 0.000 2.385 322 L HA 0.386 4.720 4.340 -0.011 0.000 0.273 322 L C 1.316 178.264 176.870 0.130 0.000 0.990 322 L CA -0.493 54.405 54.840 0.095 0.000 0.821 322 L CB 2.349 44.426 42.059 0.029 0.000 1.279 322 L HN 0.903 nan 8.230 nan 0.000 0.412 323 S N -0.717 115.001 115.700 0.031 0.000 2.489 323 S HA 0.063 4.527 4.470 -0.011 0.000 0.228 323 S C 0.267 174.901 174.600 0.056 0.000 0.995 323 S CA 0.315 58.496 58.200 -0.031 0.000 0.934 323 S CB -0.098 63.036 63.200 -0.110 0.000 0.771 323 S HN 0.673 nan 8.310 nan 0.000 0.522 324 D N 0.094 120.517 120.400 0.038 0.000 2.450 324 D HA 0.520 5.154 4.640 -0.011 0.000 0.238 324 D C -0.418 175.858 176.300 -0.039 0.000 1.020 324 D CA -0.819 53.190 54.000 0.015 0.000 1.010 324 D CB 0.985 41.788 40.800 0.006 0.000 1.342 324 D HN 0.101 nan 8.370 nan 0.000 0.530 325 I N 1.007 121.541 120.570 -0.060 0.000 2.752 325 I HA -0.081 4.083 4.170 -0.011 0.000 0.289 325 I C 0.637 176.679 176.117 -0.124 0.000 1.197 325 I CA 0.067 61.289 61.300 -0.130 0.000 1.432 325 I CB 0.215 38.172 38.000 -0.071 0.000 1.359 325 I HN 0.249 nan 8.210 nan 0.000 0.571 326 C N 7.494 126.662 119.300 -0.220 0.000 2.648 326 C HA 0.116 4.570 4.460 -0.011 0.000 0.419 326 C C 0.308 175.302 174.990 0.006 0.000 1.352 326 C CA -0.436 58.532 59.018 -0.083 0.000 1.816 326 C CB -0.955 26.779 27.740 -0.010 0.000 2.598 326 C HN 0.867 nan 8.230 nan 0.000 0.598 327 D N 3.621 124.034 120.400 0.023 0.000 2.494 327 D HA 0.310 4.943 4.640 -0.011 0.000 0.259 327 D C 0.778 177.103 176.300 0.042 0.000 1.109 327 D CA -0.742 53.278 54.000 0.032 0.000 1.040 327 D CB 0.545 41.360 40.800 0.025 0.000 1.175 327 D HN 0.225 nan 8.370 nan 0.000 0.584 328 V N -0.051 119.884 119.914 0.035 0.000 2.358 328 V HA -0.075 4.039 4.120 -0.011 0.000 0.246 328 V C -1.003 175.109 176.094 0.031 0.000 1.047 328 V CA 1.632 63.950 62.300 0.031 0.000 1.035 328 V CB -1.458 30.378 31.823 0.022 0.000 0.658 328 V HN 0.551 nan 8.190 nan 0.000 0.452 329 P HA -0.099 nan 4.420 nan 0.000 0.217 329 P C 1.807 179.143 177.300 0.060 0.000 1.150 329 P CA 1.575 64.701 63.100 0.043 0.000 0.832 329 P CB -0.172 31.554 31.700 0.045 0.000 0.787 330 T N -0.525 114.067 114.554 0.064 0.000 2.746 330 T HA -0.124 4.220 4.350 -0.011 0.000 0.267 330 T C 1.910 176.637 174.700 0.044 0.000 1.039 330 T CA 1.646 63.793 62.100 0.078 0.000 1.142 330 T CB -0.955 67.949 68.868 0.061 0.000 0.866 330 T HN 0.039 nan 8.240 nan 0.000 0.444 331 A N 1.755 124.593 122.820 0.031 0.000 1.933 331 A HA -0.115 4.199 4.320 -0.011 0.000 0.218 331 A C 2.247 179.825 177.584 -0.010 0.000 1.175 331 A CA 1.450 53.492 52.037 0.008 0.000 0.628 331 A CB -0.401 18.613 19.000 0.024 0.000 0.814 331 A HN 0.451 nan 8.150 nan 0.000 0.444 332 K N -0.505 119.901 120.400 0.010 0.000 2.097 332 K HA -0.021 4.293 4.320 -0.011 0.000 0.205 332 K C 1.756 178.367 176.600 0.017 0.000 1.050 332 K CA 1.361 57.651 56.287 0.005 0.000 0.938 332 K CB -0.323 32.185 32.500 0.014 0.000 0.718 332 K HN 0.540 nan 8.250 nan 0.000 0.442 333 I N 0.981 121.585 120.570 0.057 0.000 2.202 333 I HA -0.265 3.899 4.170 -0.011 0.000 0.242 333 I C 2.216 178.389 176.117 0.094 0.000 1.091 333 I CA 1.253 62.614 61.300 0.102 0.000 1.368 333 I CB -0.192 37.932 38.000 0.207 0.000 1.058 333 I HN 0.100 nan 8.210 nan 0.000 0.410 334 I N -0.234 120.361 120.570 0.042 0.000 2.315 334 I HA -0.274 3.889 4.170 -0.011 0.000 0.248 334 I C 2.754 178.785 176.117 -0.144 0.000 1.117 334 I CA 1.041 62.311 61.300 -0.051 0.000 1.404 334 I CB -0.330 37.566 38.000 -0.174 0.000 1.071 334 I HN 0.208 nan 8.210 nan 0.000 0.419 335 S N 1.611 117.231 115.700 -0.133 0.000 2.374 335 S HA -0.235 4.229 4.470 -0.011 0.000 0.227 335 S C 2.079 176.601 174.600 -0.129 0.000 1.037 335 S CA 1.743 59.846 58.200 -0.162 0.000 1.024 335 S CB -0.222 62.916 63.200 -0.103 0.000 0.861 335 S HN 0.529 nan 8.310 nan 0.000 0.456 336 R N 0.060 120.518 120.500 -0.070 0.000 2.310 336 R HA 0.242 4.576 4.340 -0.011 0.000 0.202 336 R C -0.285 175.990 176.300 -0.040 0.000 0.933 336 R CA 0.074 56.144 56.100 -0.050 0.000 1.054 336 R CB 0.006 30.291 30.300 -0.025 0.000 0.985 336 R HN 0.300 nan 8.270 nan 0.000 0.489 337 E N 1.345 121.517 120.200 -0.048 0.000 2.207 337 E HA 0.231 4.575 4.350 -0.011 0.000 0.270 337 E C -0.755 175.782 176.600 -0.105 0.000 0.927 337 E CA -1.059 55.322 56.400 -0.031 0.000 0.799 337 E CB 2.772 32.500 29.700 0.047 0.000 1.172 337 E HN -0.129 nan 8.360 nan 0.000 0.404 338 V N 2.119 121.941 119.914 -0.153 0.000 2.439 338 V HA 0.164 4.278 4.120 -0.011 0.000 0.271 338 V C 0.397 176.315 176.094 -0.293 0.000 1.040 338 V CA 0.307 62.412 62.300 -0.324 0.000 1.002 338 V CB 0.671 32.067 31.823 -0.711 0.000 1.000 338 V HN 0.559 nan 8.190 nan 0.000 0.477 339 S N 2.851 118.450 115.700 -0.169 0.000 2.564 339 S HA 0.433 4.897 4.470 -0.011 0.000 0.274 339 S C 0.202 174.863 174.600 0.102 0.000 1.124 339 S CA -0.676 57.510 58.200 -0.022 0.000 0.869 339 S CB 2.146 65.376 63.200 0.050 0.000 1.105 339 S HN 0.725 nan 8.310 nan 0.000 0.472 340 D N 1.552 121.977 120.400 0.042 0.000 2.366 340 D HA 0.333 4.966 4.640 -0.011 0.000 0.205 340 D C 0.694 176.825 176.300 -0.281 0.000 1.022 340 D CA 1.008 55.012 54.000 0.007 0.000 0.868 340 D CB 0.904 41.747 40.800 0.072 0.000 0.953 340 D HN 0.784 nan 8.370 nan 0.000 0.514 341 G N -0.587 107.811 108.800 -0.669 0.000 2.328 341 G HA2 0.383 4.337 3.960 -0.011 0.000 0.295 341 G HA3 0.383 4.337 3.960 -0.011 0.000 0.295 341 G C -2.104 171.864 174.900 -1.554 0.000 1.413 341 G CA -0.304 43.921 45.100 -1.458 0.000 0.817 341 G HN 0.045 nan 8.290 nan 0.000 0.546 342 V N -0.929 118.293 119.914 -1.155 0.000 3.012 342 V HA 0.845 4.958 4.120 -0.011 0.000 0.307 342 V C -1.312 174.796 176.094 0.022 0.000 1.166 342 V CA -0.556 61.475 62.300 -0.447 0.000 0.974 342 V CB 1.848 33.610 31.823 -0.103 0.000 1.040 342 V HN 1.686 nan 8.190 nan 0.000 0.428 343 V N 5.687 125.735 119.914 0.224 0.000 2.789 343 V HA 1.055 5.168 4.120 -0.011 0.000 0.311 343 V C -0.224 175.960 176.094 0.150 0.000 1.073 343 V CA 0.463 62.894 62.300 0.218 0.000 0.921 343 V CB 1.608 33.554 31.823 0.205 0.000 1.009 343 V HN 1.951 nan 8.190 nan 0.000 0.426 344 A N 6.629 129.449 122.820 0.001 0.000 2.599 344 A HA 0.859 5.173 4.320 -0.011 0.000 0.290 344 A C -2.770 174.655 177.584 -0.264 0.000 1.101 344 A CA -0.625 51.343 52.037 -0.115 0.000 0.674 344 A CB 1.725 20.440 19.000 -0.475 0.000 1.277 344 A HN 0.542 nan 8.150 nan 0.000 0.419 345 P HA 0.215 nan 4.420 nan 0.000 0.236 345 P C 0.705 177.899 177.300 -0.177 0.000 1.177 345 P CA 1.523 64.521 63.100 -0.170 0.000 0.773 345 P CB 0.551 32.280 31.700 0.048 0.000 0.878 346 G N -1.357 107.251 108.800 -0.321 0.000 2.356 346 G HA2 0.460 4.414 3.960 -0.011 0.000 0.294 346 G HA3 0.460 4.414 3.960 -0.011 0.000 0.294 346 G C -2.366 172.199 174.900 -0.558 0.000 1.423 346 G CA -0.637 44.314 45.100 -0.250 0.000 0.806 346 G HN -0.102 nan 8.290 nan 0.000 0.527 347 Y N -0.021 120.273 120.300 -0.011 0.000 2.457 347 Y HA 0.522 5.065 4.550 -0.012 0.000 0.343 347 Y C 0.359 176.256 175.900 -0.004 0.000 0.994 347 Y CA -0.880 57.216 58.100 -0.006 0.000 1.031 347 Y CB 2.167 40.620 38.460 -0.012 0.000 1.246 347 Y HN 0.563 nan 8.280 nan 0.000 0.449 348 E N 1.746 122.021 120.200 0.125 0.000 2.383 348 E HA -0.016 4.327 4.350 -0.011 0.000 0.264 348 E C 0.782 177.436 176.600 0.089 0.000 1.050 348 E CA -0.043 56.403 56.400 0.077 0.000 0.896 348 E CB 0.956 30.687 29.700 0.052 0.000 0.982 348 E HN 0.835 nan 8.360 nan 0.000 0.424 349 E N 2.279 122.513 120.200 0.057 0.000 2.086 349 E HA -0.327 4.016 4.350 -0.011 0.000 0.200 349 E C 1.575 178.194 176.600 0.031 0.000 1.012 349 E CA 1.734 58.158 56.400 0.040 0.000 0.812 349 E CB 0.158 29.872 29.700 0.023 0.000 0.743 349 E HN 0.445 nan 8.360 nan 0.000 0.453 350 E N 0.141 120.358 120.200 0.029 0.000 2.106 350 E HA -0.112 4.232 4.350 -0.011 0.000 0.192 350 E C 1.666 178.281 176.600 0.025 0.000 0.984 350 E CA 1.360 57.772 56.400 0.019 0.000 0.806 350 E CB -0.314 29.396 29.700 0.016 0.000 0.750 350 E HN 0.353 nan 8.360 nan 0.000 0.458 351 A N 0.412 123.262 122.820 0.049 0.000 1.902 351 A HA -0.121 4.193 4.320 -0.011 0.000 0.217 351 A C 2.176 179.795 177.584 0.058 0.000 1.181 351 A CA 1.470 53.547 52.037 0.067 0.000 0.623 351 A CB -0.780 18.288 19.000 0.113 0.000 0.818 351 A HN 0.383 nan 8.150 nan 0.000 0.443 352 L N -0.146 121.111 121.223 0.057 0.000 2.131 352 L HA -0.115 4.219 4.340 -0.011 0.000 0.210 352 L C 2.148 178.987 176.870 -0.052 0.000 1.092 352 L CA 2.059 56.873 54.840 -0.043 0.000 0.759 352 L CB -0.436 41.589 42.059 -0.056 0.000 0.903 352 L HN 0.332 nan 8.230 nan 0.000 0.435 353 K N -0.494 119.893 120.400 -0.023 0.000 2.057 353 K HA -0.121 4.192 4.320 -0.011 0.000 0.206 353 K C 2.101 178.682 176.600 -0.032 0.000 1.050 353 K CA 1.802 58.073 56.287 -0.026 0.000 0.935 353 K CB -0.276 32.215 32.500 -0.015 0.000 0.715 353 K HN 0.354 nan 8.250 nan 0.000 0.439 354 I N 1.267 121.821 120.570 -0.027 0.000 2.179 354 I HA -0.296 3.868 4.170 -0.011 0.000 0.242 354 I C 2.251 178.327 176.117 -0.069 0.000 1.088 354 I CA 1.248 62.523 61.300 -0.041 0.000 1.357 354 I CB -0.254 37.728 38.000 -0.029 0.000 1.051 354 I HN 0.106 nan 8.210 nan 0.000 0.409 355 L N -0.154 121.034 121.223 -0.058 0.000 2.017 355 L HA -0.197 4.137 4.340 -0.011 0.000 0.208 355 L C 2.596 179.458 176.870 -0.014 0.000 1.073 355 L CA 1.292 56.093 54.840 -0.065 0.000 0.745 355 L CB -0.643 41.424 42.059 0.013 0.000 0.894 355 L HN 0.172 nan 8.230 nan 0.000 0.432 356 S N -0.442 115.246 115.700 -0.020 0.000 2.469 356 S HA -0.152 4.312 4.470 -0.011 0.000 0.238 356 S C 1.799 176.395 174.600 -0.008 0.000 0.998 356 S CA 1.075 59.272 58.200 -0.007 0.000 0.957 356 S CB -0.159 63.013 63.200 -0.048 0.000 0.764 356 S HN 0.365 nan 8.310 nan 0.000 0.514 357 K N 0.927 121.304 120.400 -0.037 0.000 2.365 357 K HA 0.088 4.402 4.320 -0.011 0.000 0.197 357 K C 0.356 176.921 176.600 -0.058 0.000 1.042 357 K CA 0.376 56.637 56.287 -0.042 0.000 0.987 357 K CB 0.133 32.603 32.500 -0.049 0.000 0.779 357 K HN 0.292 nan 8.250 nan 0.000 0.484 358 K N 1.396 121.732 120.400 -0.106 0.000 2.414 358 K HA -0.017 4.297 4.320 -0.011 0.000 0.272 358 K C -0.154 176.421 176.600 -0.040 0.000 0.993 358 K CA 0.471 56.656 56.287 -0.170 0.000 0.964 358 K CB 0.361 32.543 32.500 -0.530 0.000 0.925 358 K HN -0.028 nan 8.250 nan 0.000 0.487 359 K N 1.783 122.158 120.400 -0.043 0.000 3.096 359 K HA -0.338 3.976 4.320 -0.011 0.000 0.266 359 K C -0.450 176.157 176.600 0.013 0.000 1.043 359 K CA 0.884 57.177 56.287 0.010 0.000 0.758 359 K CB -1.742 30.798 32.500 0.067 0.000 1.260 359 K HN 1.023 nan 8.250 nan 0.000 0.481 360 N N -0.879 117.818 118.700 -0.005 0.000 2.727 360 N HA -0.279 4.455 4.740 -0.011 0.000 0.249 360 N C 0.613 176.124 175.510 0.002 0.000 1.048 360 N CA 0.752 53.800 53.050 -0.003 0.000 0.714 360 N CB -0.835 37.654 38.487 0.003 0.000 0.959 360 N HN 0.869 nan 8.380 nan 0.000 0.544 361 G N -2.091 106.712 108.800 0.004 0.000 2.195 361 G HA2 -0.232 3.722 3.960 -0.011 0.000 0.246 361 G HA3 -0.232 3.722 3.960 -0.011 0.000 0.246 361 G C 0.639 175.551 174.900 0.020 0.000 0.984 361 G CA 0.337 45.441 45.100 0.007 0.000 0.633 361 G HN 0.794 nan 8.290 nan 0.000 0.525 362 G N -0.591 108.230 108.800 0.036 0.000 3.189 362 G HA2 0.394 4.347 3.960 -0.011 0.000 0.225 362 G HA3 0.394 4.347 3.960 -0.011 0.000 0.225 362 G C 0.422 175.356 174.900 0.056 0.000 1.159 362 G CA 0.164 45.283 45.100 0.032 0.000 0.763 362 G HN 0.614 nan 8.290 nan 0.000 0.549 363 Y N 0.847 121.106 120.300 -0.069 0.000 2.620 363 Y HA 0.227 4.771 4.550 -0.010 0.000 0.330 363 Y C 0.733 176.573 175.900 -0.100 0.000 1.186 363 Y CA -1.424 56.621 58.100 -0.091 0.000 1.467 363 Y CB 0.422 38.814 38.460 -0.112 0.000 1.262 363 Y HN 0.032 nan 8.280 nan 0.000 0.550 364 C N 7.898 126.841 119.300 -0.596 0.000 2.555 364 C HA 0.526 4.980 4.460 -0.011 0.000 0.385 364 C C -0.572 174.025 174.990 -0.656 0.000 1.296 364 C CA -0.564 58.169 59.018 -0.476 0.000 1.757 364 C CB -2.161 25.418 27.740 -0.268 0.000 2.445 364 C HN 0.597 nan 8.230 nan 0.000 0.571 365 V N 8.725 128.418 119.914 -0.369 0.000 2.407 365 V HA 0.462 4.576 4.120 -0.011 0.000 0.291 365 V C -0.128 175.860 176.094 -0.177 0.000 1.018 365 V CA -0.298 61.806 62.300 -0.326 0.000 0.842 365 V CB 1.318 32.901 31.823 -0.399 0.000 0.996 365 V HN 0.746 nan 8.190 nan 0.000 0.426 366 L N 4.156 125.359 121.223 -0.033 0.000 2.346 366 L HA 0.659 4.993 4.340 -0.011 0.000 0.274 366 L C -0.320 176.604 176.870 0.091 0.000 1.007 366 L CA -0.523 54.320 54.840 0.005 0.000 0.818 366 L CB 2.121 44.189 42.059 0.015 0.000 1.284 366 L HN 0.568 nan 8.230 nan 0.000 0.424 367 Q N 3.007 122.815 119.800 0.013 0.000 2.316 367 Q HA 0.513 4.847 4.340 -0.011 0.000 0.264 367 Q C -1.537 174.329 176.000 -0.222 0.000 0.987 367 Q CA -0.835 54.961 55.803 -0.012 0.000 0.852 367 Q CB 2.411 31.176 28.738 0.045 0.000 1.287 367 Q HN 0.591 nan 8.270 nan 0.000 0.448 368 M N 3.717 123.066 119.600 -0.418 0.000 2.311 368 M HA 0.255 4.729 4.480 -0.011 0.000 0.325 368 M C -1.117 174.872 176.300 -0.518 0.000 1.061 368 M CA -0.502 54.405 55.300 -0.656 0.000 0.957 368 M CB 1.440 33.241 32.600 -1.333 0.000 1.646 368 M HN 0.473 nan 8.290 nan 0.000 0.434 369 D N 6.572 126.773 120.400 -0.331 0.000 2.363 369 D HA 0.145 4.779 4.640 -0.011 0.000 0.263 369 D C -1.691 174.590 176.300 -0.031 0.000 1.258 369 D CA -1.487 52.433 54.000 -0.133 0.000 0.907 369 D CB 1.162 41.928 40.800 -0.058 0.000 1.107 369 D HN 0.439 nan 8.370 nan 0.000 0.495 370 P HA -0.092 nan 4.420 nan 0.000 0.226 370 P C 0.140 177.580 177.300 0.233 0.000 1.153 370 P CA 0.793 64.064 63.100 0.284 0.000 0.777 370 P CB 0.299 32.150 31.700 0.252 0.000 0.794 371 N N -1.846 116.944 118.700 0.151 0.000 2.280 371 N HA -0.007 4.727 4.740 -0.011 0.000 0.192 371 N C 0.291 175.880 175.510 0.132 0.000 1.109 371 N CA -0.395 52.725 53.050 0.117 0.000 0.855 371 N CB -0.347 38.184 38.487 0.073 0.000 0.974 371 N HN 0.158 nan 8.380 nan 0.000 0.482 372 Y N 2.285 122.614 120.300 0.048 0.000 2.442 372 Y HA 0.093 4.635 4.550 -0.013 0.000 0.330 372 Y C -0.331 175.608 175.900 0.064 0.000 1.129 372 Y CA -0.028 58.092 58.100 0.035 0.000 1.365 372 Y CB 0.486 38.946 38.460 0.001 0.000 1.233 372 Y HN -0.053 nan 8.280 nan 0.000 0.529 373 E N 8.127 127.904 120.200 -0.706 0.000 2.234 373 E HA 0.316 4.659 4.350 -0.011 0.000 0.266 373 E C -2.621 173.458 176.600 -0.868 0.000 0.877 373 E CA -2.139 53.918 56.400 -0.572 0.000 0.758 373 E CB 1.635 31.185 29.700 -0.251 0.000 1.170 373 E HN 0.539 nan 8.360 nan 0.000 0.415 374 P HA 0.201 nan 4.420 nan 0.000 0.276 374 P C -0.407 176.806 177.300 -0.144 0.000 1.244 374 P CA -0.467 62.449 63.100 -0.308 0.000 0.801 374 P CB 1.012 32.686 31.700 -0.043 0.000 1.006 375 D N 0.978 121.344 120.400 -0.058 0.000 2.368 375 D HA -0.012 4.622 4.640 -0.011 0.000 0.240 375 D C 1.150 177.442 176.300 -0.013 0.000 1.169 375 D CA 0.075 54.059 54.000 -0.026 0.000 0.906 375 D CB 0.367 41.172 40.800 0.007 0.000 1.187 375 D HN 0.311 nan 8.370 nan 0.000 0.435 376 D N 0.084 120.477 120.400 -0.011 0.000 2.144 376 D HA -0.081 4.553 4.640 -0.011 0.000 0.200 376 D C 0.247 176.553 176.300 0.011 0.000 0.978 376 D CA 1.006 55.004 54.000 -0.002 0.000 0.833 376 D CB 0.138 40.934 40.800 -0.006 0.000 0.961 376 D HN 0.301 nan 8.370 nan 0.000 0.470 377 N N 1.458 120.167 118.700 0.015 0.000 2.487 377 N HA 0.220 4.954 4.740 -0.011 0.000 0.292 377 N C -0.240 175.288 175.510 0.030 0.000 1.108 377 N CA -0.085 52.979 53.050 0.022 0.000 0.956 377 N CB 1.606 40.104 38.487 0.020 0.000 1.176 377 N HN 0.200 nan 8.380 nan 0.000 0.484 378 E N 0.720 120.942 120.200 0.035 0.000 2.293 378 E HA 0.601 4.945 4.350 -0.011 0.000 0.270 378 E C -0.836 175.788 176.600 0.040 0.000 0.879 378 E CA -0.684 55.740 56.400 0.039 0.000 0.756 378 E CB 1.860 31.591 29.700 0.050 0.000 1.208 378 E HN 0.371 nan 8.360 nan 0.000 0.428 379 I N 1.768 122.360 120.570 0.037 0.000 2.474 379 I HA 0.477 4.641 4.170 -0.011 0.000 0.294 379 I C -0.461 175.683 176.117 0.044 0.000 1.005 379 I CA -1.015 60.309 61.300 0.041 0.000 1.113 379 I CB 1.767 39.792 38.000 0.041 0.000 1.289 379 I HN 0.399 nan 8.210 nan 0.000 0.436 380 R N 3.291 123.821 120.500 0.049 0.000 2.575 380 R HA 0.563 4.897 4.340 -0.011 0.000 0.293 380 R C -1.137 175.197 176.300 0.057 0.000 0.983 380 R CA -0.781 55.352 56.100 0.056 0.000 0.887 380 R CB 1.980 32.314 30.300 0.058 0.000 1.184 380 R HN 0.425 nan 8.270 nan 0.000 0.445 381 T N 3.401 117.993 114.554 0.064 0.000 2.806 381 T HA 0.395 4.738 4.350 -0.011 0.000 0.290 381 T C -0.949 173.793 174.700 0.070 0.000 0.966 381 T CA -0.353 61.785 62.100 0.062 0.000 1.060 381 T CB 0.733 69.638 68.868 0.062 0.000 0.927 381 T HN 0.177 nan 8.240 nan 0.000 0.485 382 L N 4.990 126.260 121.223 0.078 0.000 2.439 382 L HA 0.422 4.756 4.340 -0.011 0.000 0.270 382 L C -0.508 176.466 176.870 0.174 0.000 0.972 382 L CA -0.748 54.153 54.840 0.102 0.000 0.836 382 L CB 0.741 42.846 42.059 0.076 0.000 1.255 382 L HN 0.708 nan 8.230 nan 0.000 0.404 383 Y N 5.463 125.766 120.300 0.006 0.000 3.491 383 Y HA -0.171 4.368 4.550 -0.020 0.000 0.215 383 Y C 1.309 177.212 175.900 0.006 0.000 1.219 383 Y CA 1.570 59.672 58.100 0.003 0.000 1.485 383 Y CB -1.102 37.358 38.460 -0.001 0.000 1.450 383 Y HN 1.179 nan 8.280 nan 0.000 0.603 384 G N -0.755 108.051 108.800 0.011 0.000 2.184 384 G HA2 -0.304 3.650 3.960 -0.011 0.000 0.264 384 G HA3 -0.304 3.650 3.960 -0.011 0.000 0.264 384 G C 0.212 175.092 174.900 -0.034 0.000 0.975 384 G CA 0.270 45.337 45.100 -0.056 0.000 0.642 384 G HN 0.642 nan 8.290 nan 0.000 0.536 385 L N -0.418 120.808 121.223 0.004 0.000 2.344 385 L HA 0.703 5.037 4.340 -0.011 0.000 0.272 385 L C 0.205 177.096 176.870 0.034 0.000 1.035 385 L CA -1.120 53.730 54.840 0.016 0.000 0.807 385 L CB 1.504 43.582 42.059 0.030 0.000 1.237 385 L HN -0.013 nan 8.230 nan 0.000 0.442 386 Q N 2.094 121.912 119.800 0.031 0.000 2.290 386 Q HA 0.580 4.914 4.340 -0.011 0.000 0.259 386 Q C -1.118 174.905 176.000 0.038 0.000 0.941 386 Q CA 0.084 55.910 55.803 0.037 0.000 0.912 386 Q CB 1.846 30.605 28.738 0.035 0.000 1.244 386 Q HN 0.394 nan 8.270 nan 0.000 0.441 387 L N 2.911 124.159 121.223 0.042 0.000 2.313 387 L HA 0.619 4.953 4.340 -0.011 0.000 0.283 387 L C -0.610 176.285 176.870 0.041 0.000 1.013 387 L CA -0.446 54.418 54.840 0.041 0.000 0.816 387 L CB 1.310 43.395 42.059 0.043 0.000 1.236 387 L HN 0.513 nan 8.230 nan 0.000 0.419 388 M N 4.553 124.175 119.600 0.037 0.000 2.464 388 M HA 0.510 4.984 4.480 -0.011 0.000 0.308 388 M C -1.526 174.795 176.300 0.036 0.000 1.127 388 M CA -0.284 55.038 55.300 0.036 0.000 0.913 388 M CB 2.301 34.919 32.600 0.031 0.000 1.689 388 M HN 0.732 nan 8.290 nan 0.000 0.445 389 Q N 2.004 121.826 119.800 0.037 0.000 2.575 389 Q HA 0.497 4.831 4.340 -0.011 0.000 0.290 389 Q C -1.768 174.252 176.000 0.032 0.000 0.963 389 Q CA -1.288 54.537 55.803 0.035 0.000 0.783 389 Q CB 1.491 30.256 28.738 0.044 0.000 1.467 389 Q HN 0.545 nan 8.270 nan 0.000 0.402 390 K N 1.436 121.852 120.400 0.026 0.000 2.270 390 K HA 0.218 4.532 4.320 -0.011 0.000 0.276 390 K C -0.256 176.361 176.600 0.028 0.000 1.023 390 K CA -0.328 55.971 56.287 0.021 0.000 0.955 390 K CB 0.782 33.289 32.500 0.011 0.000 0.975 390 K HN 0.705 nan 8.250 nan 0.000 0.471 391 R N 2.313 122.831 120.500 0.030 0.000 2.726 391 R HA 0.134 4.467 4.340 -0.011 0.000 0.272 391 R C -0.291 176.026 176.300 0.028 0.000 1.097 391 R CA -0.559 55.566 56.100 0.043 0.000 1.198 391 R CB 0.137 30.468 30.300 0.052 0.000 1.114 391 R HN 0.576 nan 8.270 nan 0.000 0.550 392 N N 1.004 119.721 118.700 0.029 0.000 2.602 392 N HA 0.036 4.770 4.740 -0.011 0.000 0.238 392 N C -0.994 174.508 175.510 -0.013 0.000 1.084 392 N CA -0.232 52.813 53.050 -0.009 0.000 0.952 392 N CB 0.149 38.612 38.487 -0.040 0.000 1.244 392 N HN 0.501 nan 8.380 nan 0.000 0.512 393 N N 1.277 119.969 118.700 -0.013 0.000 2.295 393 N HA 0.097 4.831 4.740 -0.011 0.000 0.221 393 N C -0.329 175.164 175.510 -0.030 0.000 1.129 393 N CA -0.132 52.911 53.050 -0.011 0.000 0.836 393 N CB 0.367 38.847 38.487 -0.011 0.000 1.040 393 N HN 0.508 nan 8.380 nan 0.000 0.494 394 A N 0.545 123.336 122.820 -0.049 0.000 2.524 394 A HA 0.174 4.487 4.320 -0.011 0.000 0.250 394 A C 0.456 178.002 177.584 -0.063 0.000 1.078 394 A CA -0.024 51.974 52.037 -0.065 0.000 0.761 394 A CB 0.208 19.157 19.000 -0.085 0.000 1.012 394 A HN 0.038 nan 8.150 nan 0.000 0.500 395 V N 5.088 124.962 119.914 -0.066 0.000 2.432 395 V HA 0.149 4.263 4.120 -0.011 0.000 0.271 395 V C 0.089 176.126 176.094 -0.095 0.000 1.046 395 V CA -0.384 61.876 62.300 -0.067 0.000 0.945 395 V CB 0.888 32.673 31.823 -0.063 0.000 0.992 395 V HN 0.642 nan 8.190 nan 0.000 0.471 396 I N 6.115 126.632 120.570 -0.088 0.000 2.304 396 I HA 0.502 4.665 4.170 -0.011 0.000 0.291 396 I C -0.028 176.008 176.117 -0.134 0.000 1.018 396 I CA -0.160 61.067 61.300 -0.123 0.000 1.260 396 I CB 0.745 38.700 38.000 -0.074 0.000 1.390 396 I HN 0.898 nan 8.210 nan 0.000 0.475 397 D N 4.847 125.114 120.400 -0.221 0.000 2.921 397 D HA 0.352 4.986 4.640 -0.011 0.000 0.329 397 D C 0.724 176.813 176.300 -0.351 0.000 1.293 397 D CA -0.722 53.158 54.000 -0.200 0.000 0.964 397 D CB 0.758 41.480 40.800 -0.129 0.000 1.435 397 D HN 0.166 nan 8.370 nan 0.000 0.548 398 R N -0.135 120.244 120.500 -0.202 0.000 2.119 398 R HA -0.104 4.230 4.340 -0.011 0.000 0.246 398 R C 1.887 178.038 176.300 -0.248 0.000 1.146 398 R CA 1.905 57.909 56.100 -0.159 0.000 0.962 398 R CB -0.777 29.504 30.300 -0.033 0.000 0.863 398 R HN 0.390 nan 8.270 nan 0.000 0.442 399 S N 1.384 116.957 115.700 -0.212 0.000 2.420 399 S HA -0.132 4.332 4.470 -0.011 0.000 0.237 399 S C 1.767 176.226 174.600 -0.234 0.000 1.023 399 S CA 0.958 59.057 58.200 -0.169 0.000 0.991 399 S CB -0.226 62.896 63.200 -0.130 0.000 0.792 399 S HN 0.187 nan 8.310 nan 0.000 0.488 400 L N 0.689 121.643 121.223 -0.447 0.000 2.265 400 L HA 0.070 4.404 4.340 -0.011 0.000 0.215 400 L C 0.679 177.349 176.870 -0.333 0.000 1.117 400 L CA 1.577 56.132 54.840 -0.475 0.000 0.782 400 L CB -0.546 41.098 42.059 -0.692 0.000 0.914 400 L HN 0.205 nan 8.230 nan 0.000 0.441 401 F N -1.659 118.277 119.950 -0.024 0.000 2.639 401 F HA 0.258 4.778 4.527 -0.011 0.000 0.300 401 F C 1.732 177.523 175.800 -0.015 0.000 1.109 401 F CA -0.375 57.614 58.000 -0.019 0.000 1.335 401 F CB -0.705 38.278 39.000 -0.029 0.000 1.014 401 F HN -0.069 nan 8.300 nan 0.000 0.537 402 K N 0.319 120.776 120.400 0.096 0.000 2.155 402 K HA -0.108 4.205 4.320 -0.011 0.000 0.203 402 K C 0.863 177.498 176.600 0.058 0.000 1.052 402 K CA 0.583 56.907 56.287 0.061 0.000 0.948 402 K CB -0.343 32.167 32.500 0.017 0.000 0.728 402 K HN 0.003 nan 8.250 nan 0.000 0.448 403 N N 1.192 119.931 118.700 0.065 0.000 3.245 403 N HA 0.101 4.834 4.740 -0.011 0.000 0.296 403 N C -1.063 174.482 175.510 0.058 0.000 1.254 403 N CA -0.002 53.083 53.050 0.057 0.000 1.190 403 N CB -0.373 38.149 38.487 0.059 0.000 1.460 403 N HN 0.037 nan 8.380 nan 0.000 0.538 404 I N 1.627 122.223 120.570 0.045 0.000 2.452 404 I HA -0.033 4.130 4.170 -0.011 0.000 0.287 404 I C 1.388 177.504 176.117 -0.001 0.000 1.079 404 I CA -0.355 60.958 61.300 0.021 0.000 1.387 404 I CB 0.955 38.969 38.000 0.024 0.000 1.404 404 I HN 0.226 nan 8.210 nan 0.000 0.522 405 V N 1.537 121.427 119.914 -0.040 0.000 3.660 405 V HA 0.081 4.195 4.120 -0.011 0.000 0.276 405 V C 0.944 177.005 176.094 -0.055 0.000 1.317 405 V CA 0.033 62.304 62.300 -0.049 0.000 1.097 405 V CB -0.634 31.138 31.823 -0.086 0.000 0.863 405 V HN 0.775 nan 8.190 nan 0.000 0.438 406 T N -2.436 112.084 114.554 -0.057 0.000 2.847 406 T HA 0.337 4.680 4.350 -0.011 0.000 0.279 406 T C 0.805 175.491 174.700 -0.024 0.000 0.984 406 T CA -0.096 61.977 62.100 -0.045 0.000 0.988 406 T CB 2.187 71.026 68.868 -0.049 0.000 1.040 406 T HN 0.203 nan 8.240 nan 0.000 0.528 407 K N 0.720 121.107 120.400 -0.021 0.000 2.057 407 K HA -0.074 4.239 4.320 -0.011 0.000 0.206 407 K C 0.353 176.948 176.600 -0.009 0.000 1.050 407 K CA 0.866 57.145 56.287 -0.013 0.000 0.935 407 K CB -0.349 32.143 32.500 -0.014 0.000 0.715 407 K HN 0.816 nan 8.250 nan 0.000 0.439 408 N N 1.373 120.065 118.700 -0.013 0.000 2.452 408 N HA -0.007 4.727 4.740 -0.011 0.000 0.266 408 N C -0.294 175.221 175.510 0.009 0.000 1.175 408 N CA -0.025 53.022 53.050 -0.006 0.000 0.945 408 N CB 1.001 39.477 38.487 -0.018 0.000 1.063 408 N HN -0.074 nan 8.380 nan 0.000 0.472 409 K N 0.510 120.921 120.400 0.018 0.000 2.358 409 K HA 0.098 4.412 4.320 -0.011 0.000 0.197 409 K C -0.169 176.459 176.600 0.047 0.000 1.025 409 K CA -0.017 56.286 56.287 0.027 0.000 1.104 409 K CB -0.145 32.365 32.500 0.017 0.000 0.855 409 K HN 0.551 nan 8.250 nan 0.000 0.531 410 T N 2.505 117.099 114.554 0.068 0.000 2.778 410 T HA 0.014 4.357 4.350 -0.011 0.000 0.282 410 T C -0.089 174.707 174.700 0.159 0.000 0.983 410 T CA 0.452 62.617 62.100 0.108 0.000 1.193 410 T CB -0.030 68.922 68.868 0.140 0.000 0.938 410 T HN -0.001 nan 8.240 nan 0.000 0.523 411 L N 7.695 128.930 121.223 0.020 0.000 2.490 411 L HA 0.356 4.689 4.340 -0.011 0.000 0.261 411 L C -2.248 174.492 176.870 -0.217 0.000 1.232 411 L CA -1.454 53.291 54.840 -0.157 0.000 0.892 411 L CB 1.185 43.172 42.059 -0.119 0.000 1.085 411 L HN 0.385 nan 8.230 nan 0.000 0.491 412 P HA 0.173 nan 4.420 nan 0.000 0.272 412 P C 0.230 177.394 177.300 -0.228 0.000 1.230 412 P CA -0.169 62.808 63.100 -0.204 0.000 0.788 412 P CB 1.048 32.645 31.700 -0.171 0.000 0.949 413 E N 0.530 120.651 120.200 -0.132 0.000 2.160 413 E HA -0.132 4.211 4.350 -0.011 0.000 0.195 413 E C 1.880 178.406 176.600 -0.124 0.000 0.991 413 E CA 1.698 58.037 56.400 -0.101 0.000 0.810 413 E CB -0.550 29.118 29.700 -0.052 0.000 0.742 413 E HN 0.597 nan 8.360 nan 0.000 0.466 414 S N 0.349 115.964 115.700 -0.141 0.000 2.423 414 S HA -0.010 4.453 4.470 -0.011 0.000 0.231 414 S C 2.128 176.603 174.600 -0.208 0.000 1.014 414 S CA 0.965 59.089 58.200 -0.127 0.000 0.965 414 S CB -0.020 63.127 63.200 -0.087 0.000 0.785 414 S HN 0.250 nan 8.310 nan 0.000 0.495 415 A N 1.418 124.001 122.820 -0.396 0.000 1.898 415 A HA 0.243 4.557 4.320 -0.011 0.000 0.214 415 A C 2.353 179.673 177.584 -0.440 0.000 1.183 415 A CA 1.043 52.720 52.037 -0.600 0.000 0.622 415 A CB -0.945 17.220 19.000 -1.392 0.000 0.824 415 A HN 0.393 nan 8.150 nan 0.000 0.444 416 V N 0.597 120.306 119.914 -0.341 0.000 2.287 416 V HA -0.306 3.807 4.120 -0.011 0.000 0.248 416 V C 2.682 178.754 176.094 -0.036 0.000 1.053 416 V CA 2.454 64.644 62.300 -0.183 0.000 1.027 416 V CB -0.825 30.993 31.823 -0.007 0.000 0.646 416 V HN 0.694 nan 8.190 nan 0.000 0.447 417 R N 0.116 120.585 120.500 -0.051 0.000 2.082 417 R HA -0.215 4.119 4.340 -0.011 0.000 0.234 417 R C 2.075 178.367 176.300 -0.014 0.000 1.136 417 R CA 2.384 58.478 56.100 -0.009 0.000 0.935 417 R CB -0.538 29.749 30.300 -0.021 0.000 0.842 417 R HN 0.506 nan 8.270 nan 0.000 0.430 418 D N 0.680 121.041 120.400 -0.064 0.000 2.149 418 D HA -0.160 4.473 4.640 -0.011 0.000 0.198 418 D C 2.045 178.321 176.300 -0.040 0.000 0.990 418 D CA 1.138 55.108 54.000 -0.049 0.000 0.839 418 D CB -0.199 40.566 40.800 -0.059 0.000 0.948 418 D HN 0.309 nan 8.370 nan 0.000 0.460 419 L N 0.231 121.393 121.223 -0.101 0.000 2.141 419 L HA -0.075 4.259 4.340 -0.011 0.000 0.209 419 L C 2.467 179.430 176.870 0.155 0.000 1.094 419 L CA 0.508 55.299 54.840 -0.081 0.000 0.763 419 L CB -0.149 41.612 42.059 -0.497 0.000 0.908 419 L HN 0.009 nan 8.230 nan 0.000 0.437 420 I N -1.162 119.540 120.570 0.219 0.000 2.286 420 I HA -0.232 3.932 4.170 -0.011 0.000 0.245 420 I C 2.403 178.583 176.117 0.106 0.000 1.104 420 I CA 0.817 62.248 61.300 0.219 0.000 1.397 420 I CB -0.065 38.038 38.000 0.172 0.000 1.072 420 I HN -0.013 nan 8.210 nan 0.000 0.417 421 V N 1.004 120.959 119.914 0.068 0.000 2.295 421 V HA -0.310 3.803 4.120 -0.011 0.000 0.246 421 V C 2.675 178.799 176.094 0.050 0.000 1.049 421 V CA 2.110 64.439 62.300 0.049 0.000 1.024 421 V CB -0.925 30.915 31.823 0.029 0.000 0.648 421 V HN 0.497 nan 8.190 nan 0.000 0.447 422 A N -0.710 122.133 122.820 0.039 0.000 1.930 422 A HA -0.185 4.129 4.320 -0.011 0.000 0.217 422 A C 2.470 180.077 177.584 0.038 0.000 1.175 422 A CA 2.175 54.230 52.037 0.030 0.000 0.627 422 A CB -0.602 18.402 19.000 0.006 0.000 0.815 422 A HN 0.512 nan 8.150 nan 0.000 0.443 423 S N -0.290 115.444 115.700 0.058 0.000 2.368 423 S HA -0.038 4.426 4.470 -0.011 0.000 0.224 423 S C 1.771 176.385 174.600 0.022 0.000 1.029 423 S CA 1.301 59.527 58.200 0.043 0.000 0.988 423 S CB -0.400 62.849 63.200 0.082 0.000 0.838 423 S HN 0.541 nan 8.310 nan 0.000 0.462 424 I N 1.536 122.138 120.570 0.054 0.000 2.439 424 I HA -0.146 4.018 4.170 -0.011 0.000 0.251 424 I C 2.604 178.810 176.117 0.148 0.000 1.139 424 I CA 0.854 62.209 61.300 0.091 0.000 1.438 424 I CB -0.385 37.677 38.000 0.103 0.000 1.085 424 I HN 0.255 nan 8.210 nan 0.000 0.427 425 A N 0.426 123.314 122.820 0.113 0.000 1.898 425 A HA -0.138 4.176 4.320 -0.011 0.000 0.216 425 A C 2.421 180.054 177.584 0.082 0.000 1.181 425 A CA 1.515 53.627 52.037 0.126 0.000 0.620 425 A CB -0.884 18.163 19.000 0.079 0.000 0.819 425 A HN 0.217 nan 8.150 nan 0.000 0.442 426 V N 0.432 120.363 119.914 0.029 0.000 2.343 426 V HA -0.283 3.831 4.120 -0.011 0.000 0.247 426 V C 2.532 178.583 176.094 -0.073 0.000 1.051 426 V CA 2.356 64.653 62.300 -0.005 0.000 1.036 426 V CB -0.657 31.155 31.823 -0.017 0.000 0.654 426 V HN 0.712 nan 8.190 nan 0.000 0.451 427 K N -0.634 119.672 120.400 -0.158 0.000 2.160 427 K HA -0.217 4.097 4.320 -0.011 0.000 0.206 427 K C 1.272 177.407 176.600 -0.774 0.000 1.047 427 K CA 1.920 57.952 56.287 -0.426 0.000 0.930 427 K CB -0.136 32.057 32.500 -0.511 0.000 0.720 427 K HN 0.569 nan 8.250 nan 0.000 0.450 428 Y N 0.178 120.384 120.300 -0.157 0.000 2.658 428 Y HA 0.220 4.762 4.550 -0.014 0.000 0.276 428 Y C -0.334 175.582 175.900 0.026 0.000 1.167 428 Y CA -0.235 57.731 58.100 -0.222 0.000 1.230 428 Y CB 0.955 39.438 38.460 0.039 0.000 1.144 428 Y HN -0.189 nan 8.280 nan 0.000 0.529 429 T N 1.588 116.216 114.554 0.123 0.000 2.797 429 T HA 0.233 4.577 4.350 -0.011 0.000 0.279 429 T C -0.233 174.596 174.700 0.215 0.000 0.991 429 T CA -0.881 61.310 62.100 0.152 0.000 0.979 429 T CB 1.149 70.051 68.868 0.057 0.000 0.943 429 T HN -0.068 nan 8.240 nan 0.000 0.444 430 Q N 2.064 121.972 119.800 0.180 0.000 2.283 430 Q HA 0.144 4.478 4.340 -0.011 0.000 0.301 430 Q C 0.269 176.247 176.000 -0.036 0.000 1.063 430 Q CA 0.323 56.149 55.803 0.039 0.000 0.952 430 Q CB 0.334 29.114 28.738 0.071 0.000 1.166 430 Q HN 0.609 nan 8.270 nan 0.000 0.381 431 S N 2.099 117.642 115.700 -0.261 0.000 2.603 431 S HA 0.170 4.634 4.470 -0.011 0.000 0.268 431 S C 0.572 175.163 174.600 -0.014 0.000 1.317 431 S CA -0.781 57.308 58.200 -0.185 0.000 1.012 431 S CB 0.473 63.422 63.200 -0.419 0.000 0.926 431 S HN 0.674 nan 8.310 nan 0.000 0.539 432 N N -0.207 118.489 118.700 -0.006 0.000 2.493 432 N HA 0.460 5.193 4.740 -0.011 0.000 0.275 432 N C -0.805 174.739 175.510 0.057 0.000 1.186 432 N CA -0.600 52.457 53.050 0.012 0.000 0.978 432 N CB 0.889 39.396 38.487 0.033 0.000 1.184 432 N HN 0.570 nan 8.380 nan 0.000 0.487 433 S N -0.042 115.705 115.700 0.078 0.000 2.556 433 S HA 0.560 5.024 4.470 -0.011 0.000 0.271 433 S C -1.212 173.433 174.600 0.075 0.000 1.135 433 S CA -0.739 57.507 58.200 0.076 0.000 0.858 433 S CB 1.630 64.865 63.200 0.059 0.000 1.114 433 S HN 0.426 nan 8.310 nan 0.000 0.468 434 V N 0.732 120.700 119.914 0.090 0.000 2.925 434 V HA 0.756 4.870 4.120 -0.011 0.000 0.311 434 V C -0.823 175.314 176.094 0.072 0.000 1.104 434 V CA -0.667 61.677 62.300 0.074 0.000 0.954 434 V CB 1.771 33.673 31.823 0.131 0.000 1.022 434 V HN 1.266 nan 8.190 nan 0.000 0.427 435 C N 4.578 123.880 119.300 0.003 0.000 2.481 435 C HA 0.739 5.193 4.460 -0.011 0.000 0.324 435 C C -1.251 173.722 174.990 -0.029 0.000 1.170 435 C CA -0.635 58.410 59.018 0.044 0.000 1.361 435 C CB 0.483 28.243 27.740 0.033 0.000 1.977 435 C HN 0.783 nan 8.230 nan 0.000 0.459 436 Y N 3.768 124.063 120.300 -0.009 0.000 2.330 436 Y HA 0.647 5.190 4.550 -0.012 0.000 0.336 436 Y C 0.636 176.478 175.900 -0.097 0.000 1.036 436 Y CA 0.064 58.142 58.100 -0.038 0.000 1.125 436 Y CB 1.500 39.932 38.460 -0.046 0.000 1.194 436 Y HN 0.945 nan 8.280 nan 0.000 0.469 437 A N 3.298 126.137 122.820 0.032 0.000 2.498 437 A HA 0.908 5.222 4.320 -0.011 0.000 0.298 437 A C -1.293 176.250 177.584 -0.069 0.000 1.075 437 A CA -0.839 51.165 52.037 -0.055 0.000 0.714 437 A CB 2.039 21.019 19.000 -0.034 0.000 1.299 437 A HN 0.596 nan 8.150 nan 0.000 0.407 438 K N 0.776 121.101 120.400 -0.125 0.000 2.578 438 K HA 0.495 4.809 4.320 -0.011 0.000 0.269 438 K C -1.362 175.222 176.600 -0.028 0.000 0.941 438 K CA -0.026 56.218 56.287 -0.072 0.000 0.847 438 K CB 1.095 33.536 32.500 -0.100 0.000 1.397 438 K HN 0.588 nan 8.250 nan 0.000 0.422 439 D N 2.770 123.192 120.400 0.036 0.000 2.708 439 D HA -0.168 4.465 4.640 -0.011 0.000 0.236 439 D C 0.554 176.892 176.300 0.063 0.000 1.146 439 D CA 2.176 56.225 54.000 0.082 0.000 0.662 439 D CB -1.265 39.640 40.800 0.176 0.000 1.059 439 D HN 1.137 nan 8.370 nan 0.000 0.428 440 G N -0.144 108.672 108.800 0.027 0.000 2.155 440 G HA2 -0.323 3.630 3.960 -0.011 0.000 0.257 440 G HA3 -0.323 3.630 3.960 -0.011 0.000 0.257 440 G C 0.162 175.075 174.900 0.022 0.000 0.983 440 G CA 1.233 46.349 45.100 0.026 0.000 0.676 440 G HN 0.827 nan 8.290 nan 0.000 0.528 441 Q N -1.337 118.459 119.800 -0.008 0.000 2.456 441 Q HA 0.734 5.068 4.340 -0.011 0.000 0.284 441 Q C -0.485 175.453 176.000 -0.103 0.000 1.061 441 Q CA -1.190 54.596 55.803 -0.028 0.000 0.799 441 Q CB 2.095 30.832 28.738 -0.001 0.000 1.445 441 Q HN 0.331 nan 8.270 nan 0.000 0.411 442 V N 3.155 123.022 119.914 -0.078 0.000 2.585 442 V HA 0.030 4.144 4.120 -0.011 0.000 0.296 442 V C 0.937 176.878 176.094 -0.255 0.000 1.035 442 V CA 0.533 62.775 62.300 -0.097 0.000 1.084 442 V CB 0.196 32.002 31.823 -0.029 0.000 0.953 442 V HN 0.841 nan 8.190 nan 0.000 0.483 443 I N 1.675 122.045 120.570 -0.334 0.000 4.288 443 I HA 0.661 4.824 4.170 -0.011 0.000 0.331 443 I C 0.775 176.745 176.117 -0.245 0.000 1.322 443 I CA 0.207 61.115 61.300 -0.653 0.000 1.149 443 I CB 0.845 38.184 38.000 -1.100 0.000 1.112 443 I HN 0.609 nan 8.210 nan 0.000 0.403 444 G N 2.334 111.100 108.800 -0.057 0.000 2.659 444 G HA2 0.623 4.577 3.960 -0.011 0.000 0.291 444 G HA3 0.623 4.577 3.960 -0.011 0.000 0.291 444 G C -1.826 173.171 174.900 0.161 0.000 1.379 444 G CA -0.311 44.813 45.100 0.040 0.000 1.254 444 G HN 0.168 nan 8.290 nan 0.000 0.590 445 I N 1.532 122.175 120.570 0.121 0.000 2.827 445 I HA 0.803 4.966 4.170 -0.011 0.000 0.298 445 I C -0.067 176.116 176.117 0.110 0.000 1.235 445 I CA -0.906 60.469 61.300 0.126 0.000 1.021 445 I CB 2.308 40.351 38.000 0.072 0.000 1.259 445 I HN 0.708 nan 8.210 nan 0.000 0.427 446 G N 4.599 113.469 108.800 0.116 0.000 2.448 446 G HA2 0.851 4.805 3.960 -0.011 0.000 0.324 446 G HA3 0.851 4.805 3.960 -0.011 0.000 0.324 446 G C -1.627 173.320 174.900 0.078 0.000 1.203 446 G CA -0.453 44.707 45.100 0.100 0.000 0.954 446 G HN 0.871 nan 8.290 nan 0.000 0.480 447 A N -0.339 122.521 122.820 0.066 0.000 2.539 447 A HA 0.816 5.130 4.320 -0.011 0.000 0.296 447 A C 0.816 178.435 177.584 0.058 0.000 1.073 447 A CA 0.265 52.337 52.037 0.058 0.000 0.700 447 A CB 1.224 20.253 19.000 0.049 0.000 1.296 447 A HN 2.549 nan 8.150 nan 0.000 0.405 448 G N 0.237 109.072 108.800 0.059 0.000 2.180 448 G HA2 -0.222 3.732 3.960 -0.011 0.000 0.263 448 G HA3 -0.222 3.732 3.960 -0.011 0.000 0.263 448 G C 0.259 175.192 174.900 0.055 0.000 0.989 448 G CA 0.837 45.975 45.100 0.064 0.000 0.692 448 G HN 0.830 nan 8.290 nan 0.000 0.526 449 Q N -0.768 119.068 119.800 0.060 0.000 2.396 449 Q HA 0.447 4.781 4.340 -0.011 0.000 0.221 449 Q C 1.304 177.342 176.000 0.063 0.000 1.025 449 Q CA 0.147 55.992 55.803 0.072 0.000 0.946 449 Q CB 0.336 29.134 28.738 0.101 0.000 1.224 449 Q HN 0.666 nan 8.270 nan 0.000 0.539 450 Q N -0.636 119.220 119.800 0.094 0.000 2.164 450 Q HA 0.240 4.574 4.340 -0.011 0.000 0.226 450 Q C -0.273 175.769 176.000 0.071 0.000 0.813 450 Q CA -0.074 55.769 55.803 0.067 0.000 0.978 450 Q CB 1.343 30.120 28.738 0.064 0.000 1.149 450 Q HN 0.429 nan 8.270 nan 0.000 0.489 451 S N -0.303 115.457 115.700 0.101 0.000 2.548 451 S HA 0.414 4.878 4.470 -0.011 0.000 0.276 451 S C -0.038 174.595 174.600 0.054 0.000 1.129 451 S CA -0.577 57.624 58.200 0.002 0.000 0.931 451 S CB 1.838 64.874 63.200 -0.273 0.000 1.068 451 S HN 0.140 nan 8.310 nan 0.000 0.480 452 R N 2.861 123.390 120.500 0.048 0.000 2.073 452 R HA 0.048 4.382 4.340 -0.011 0.000 0.234 452 R C 1.857 178.245 176.300 0.147 0.000 1.134 452 R CA 2.235 58.406 56.100 0.118 0.000 0.952 452 R CB -1.002 29.381 30.300 0.138 0.000 0.850 452 R HN 0.744 nan 8.270 nan 0.000 0.433 453 I N 0.278 120.903 120.570 0.091 0.000 2.315 453 I HA -0.204 3.959 4.170 -0.011 0.000 0.248 453 I C 1.601 177.811 176.117 0.156 0.000 1.117 453 I CA 1.577 62.932 61.300 0.092 0.000 1.404 453 I CB -0.448 37.587 38.000 0.058 0.000 1.071 453 I HN 0.253 nan 8.210 nan 0.000 0.419 454 H N -0.634 118.488 119.070 0.086 0.000 2.319 454 H HA -0.211 4.337 4.556 -0.013 0.000 0.299 454 H C 2.519 177.897 175.328 0.084 0.000 1.092 454 H CA 1.719 57.810 56.048 0.072 0.000 1.302 454 H CB -1.097 28.700 29.762 0.059 0.000 1.373 454 H HN 0.472 nan 8.280 nan 0.000 0.497 455 C N 0.406 119.848 119.300 0.237 0.000 2.446 455 C HA -0.115 4.339 4.460 -0.011 0.000 0.277 455 C C 2.859 177.972 174.990 0.204 0.000 1.275 455 C CA 1.609 60.739 59.018 0.187 0.000 1.727 455 C CB -1.052 26.786 27.740 0.164 0.000 2.010 455 C HN 0.565 nan 8.230 nan 0.000 0.486 456 T N 0.246 114.928 114.554 0.213 0.000 2.759 456 T HA -0.150 4.193 4.350 -0.011 0.000 0.269 456 T C 1.938 176.791 174.700 0.255 0.000 1.042 456 T CA 1.409 63.653 62.100 0.240 0.000 1.140 456 T CB -0.256 68.692 68.868 0.134 0.000 0.864 456 T HN 0.613 nan 8.240 nan 0.000 0.455 457 R N 0.012 120.618 120.500 0.178 0.000 2.075 457 R HA 0.108 4.442 4.340 -0.011 0.000 0.226 457 R C 2.356 178.716 176.300 0.100 0.000 1.114 457 R CA 0.668 56.845 56.100 0.128 0.000 0.972 457 R CB -0.479 29.891 30.300 0.116 0.000 0.869 457 R HN 0.213 nan 8.270 nan 0.000 0.437 458 L N 0.934 122.223 121.223 0.111 0.000 2.017 458 L HA -0.080 4.254 4.340 -0.011 0.000 0.208 458 L C 2.186 179.105 176.870 0.082 0.000 1.073 458 L CA 2.045 56.932 54.840 0.080 0.000 0.745 458 L CB -0.716 41.390 42.059 0.079 0.000 0.894 458 L HN 0.124 nan 8.230 nan 0.000 0.432 459 A N -0.665 122.242 122.820 0.145 0.000 1.930 459 A HA -0.012 4.302 4.320 -0.011 0.000 0.217 459 A C 2.315 179.858 177.584 -0.068 0.000 1.175 459 A CA 1.356 53.491 52.037 0.165 0.000 0.627 459 A CB -1.500 17.722 19.000 0.370 0.000 0.815 459 A HN 0.540 nan 8.150 nan 0.000 0.443 460 G N -0.339 108.377 108.800 -0.139 0.000 2.422 460 G HA2 -0.190 3.763 3.960 -0.011 0.000 0.218 460 G HA3 -0.190 3.763 3.960 -0.011 0.000 0.218 460 G C 1.063 175.811 174.900 -0.253 0.000 1.140 460 G CA 1.146 45.919 45.100 -0.544 0.000 0.775 460 G HN 0.450 nan 8.290 nan 0.000 0.545 461 D N 0.497 120.848 120.400 -0.080 0.000 2.224 461 D HA 0.001 4.635 4.640 -0.011 0.000 0.205 461 D C 2.419 178.730 176.300 0.019 0.000 0.965 461 D CA 0.682 54.674 54.000 -0.013 0.000 0.852 461 D CB -0.020 40.789 40.800 0.014 0.000 0.947 461 D HN 0.308 nan 8.370 nan 0.000 0.494 462 K N 0.511 120.916 120.400 0.010 0.000 2.155 462 K HA 0.087 4.400 4.320 -0.011 0.000 0.203 462 K C 2.023 178.684 176.600 0.101 0.000 1.052 462 K CA 0.838 57.165 56.287 0.067 0.000 0.948 462 K CB 0.121 32.661 32.500 0.067 0.000 0.728 462 K HN -0.012 nan 8.250 nan 0.000 0.448 463 A N 1.591 124.399 122.820 -0.020 0.000 1.968 463 A HA -0.136 4.178 4.320 -0.011 0.000 0.217 463 A C 1.677 179.391 177.584 0.217 0.000 1.169 463 A CA 1.283 53.337 52.037 0.029 0.000 0.638 463 A CB -0.545 18.274 19.000 -0.302 0.000 0.812 463 A HN 0.315 nan 8.150 nan 0.000 0.446 464 N N -0.040 118.737 118.700 0.129 0.000 2.084 464 N HA -0.134 4.600 4.740 -0.011 0.000 0.190 464 N C 1.929 177.623 175.510 0.306 0.000 1.030 464 N CA 1.467 54.650 53.050 0.221 0.000 0.849 464 N CB -0.111 38.453 38.487 0.129 0.000 1.012 464 N HN 0.421 nan 8.380 nan 0.000 0.423 465 S N 0.224 116.068 115.700 0.240 0.000 2.356 465 S HA -0.175 4.289 4.470 -0.011 0.000 0.223 465 S C 1.419 176.217 174.600 0.330 0.000 1.032 465 S CA 0.947 59.286 58.200 0.232 0.000 1.005 465 S CB -0.436 62.871 63.200 0.179 0.000 0.867 465 S HN 0.512 nan 8.310 nan 0.000 0.449 466 W N 1.480 122.912 121.300 0.221 0.000 2.335 466 W HA -0.150 4.504 4.660 -0.009 0.000 0.311 466 W C 2.184 178.998 176.519 0.492 0.000 1.213 466 W CA 1.395 58.920 57.345 0.300 0.000 1.274 466 W CB -0.510 29.102 29.460 0.253 0.000 1.148 466 W HN 0.418 nan 8.180 nan 0.000 0.498 467 W N 0.482 122.012 121.300 0.383 0.000 2.381 467 W HA -0.206 4.447 4.660 -0.011 0.000 0.301 467 W C 1.791 178.561 176.519 0.418 0.000 1.205 467 W CA 1.270 58.744 57.345 0.215 0.000 1.285 467 W CB -0.568 29.055 29.460 0.273 0.000 1.133 467 W HN -0.160 nan 8.180 nan 0.000 0.521 468 L N 0.704 122.105 121.223 0.297 0.000 2.265 468 L HA -0.168 4.165 4.340 -0.011 0.000 0.215 468 L C 2.436 179.262 176.870 -0.075 0.000 1.117 468 L CA 1.085 55.958 54.840 0.054 0.000 0.782 468 L CB -0.590 41.524 42.059 0.091 0.000 0.914 468 L HN -0.080 nan 8.230 nan 0.000 0.441 469 R N -1.350 119.155 120.500 0.008 0.000 2.316 469 R HA -0.077 4.257 4.340 -0.011 0.000 0.202 469 R C 1.367 177.520 176.300 -0.245 0.000 1.029 469 R CA 0.475 56.526 56.100 -0.082 0.000 1.018 469 R CB -0.087 30.166 30.300 -0.078 0.000 0.888 469 R HN 0.403 nan 8.270 nan 0.000 0.471 470 H N -1.597 117.251 119.070 -0.370 0.000 2.539 470 H HA 0.070 4.620 4.556 -0.011 0.000 0.269 470 H C 0.193 175.165 175.328 -0.593 0.000 0.980 470 H CA -0.060 55.745 56.048 -0.405 0.000 1.152 470 H CB -0.068 29.427 29.762 -0.446 0.000 1.407 470 H HN 0.082 nan 8.280 nan 0.000 0.564 471 H N 1.722 120.290 119.070 -0.838 0.000 3.001 471 H HA -0.049 4.501 4.556 -0.011 0.000 0.334 471 H C -1.614 173.272 175.328 -0.737 0.000 1.034 471 H CA -1.351 53.894 56.048 -1.338 0.000 1.420 471 H CB 1.258 30.342 29.762 -1.130 0.000 1.405 471 H HN 0.115 nan 8.280 nan 0.000 0.593 472 P HA -0.165 nan 4.420 nan 0.000 0.216 472 P C 1.605 178.840 177.300 -0.109 0.000 1.153 472 P CA 1.688 64.571 63.100 -0.362 0.000 0.858 472 P CB 0.070 31.543 31.700 -0.378 0.000 0.789 473 R N -0.406 120.188 120.500 0.156 0.000 2.092 473 R HA -0.087 4.247 4.340 -0.011 0.000 0.231 473 R C 1.863 178.099 176.300 -0.107 0.000 1.119 473 R CA 1.155 57.259 56.100 0.006 0.000 0.970 473 R CB -0.636 29.641 30.300 -0.038 0.000 0.864 473 R HN 0.045 nan 8.270 nan 0.000 0.440 474 V N 1.081 120.947 119.914 -0.079 0.000 2.323 474 V HA -0.210 3.903 4.120 -0.011 0.000 0.244 474 V C 2.211 178.245 176.094 -0.099 0.000 1.041 474 V CA 1.500 63.735 62.300 -0.108 0.000 1.025 474 V CB -0.299 31.493 31.823 -0.052 0.000 0.656 474 V HN 0.336 nan 8.190 nan 0.000 0.451 475 L N -0.288 120.859 121.223 -0.127 0.000 2.275 475 L HA -0.064 4.270 4.340 -0.011 0.000 0.215 475 L C 2.020 178.829 176.870 -0.101 0.000 1.119 475 L CA 1.123 55.887 54.840 -0.126 0.000 0.790 475 L CB -0.450 41.514 42.059 -0.158 0.000 0.919 475 L HN 0.258 nan 8.230 nan 0.000 0.443 476 S N -0.708 114.931 115.700 -0.102 0.000 2.577 476 S HA 0.261 4.725 4.470 -0.011 0.000 0.219 476 S C 0.783 175.325 174.600 -0.095 0.000 0.962 476 S CA -0.180 57.966 58.200 -0.090 0.000 0.921 476 S CB -0.028 63.118 63.200 -0.090 0.000 0.789 476 S HN 0.200 nan 8.310 nan 0.000 0.497 477 M N 1.757 121.298 119.600 -0.098 0.000 2.249 477 M HA 0.123 4.597 4.480 -0.011 0.000 0.340 477 M C -0.190 176.093 176.300 -0.028 0.000 1.166 477 M CA 0.485 55.691 55.300 -0.157 0.000 1.115 477 M CB 0.170 32.656 32.600 -0.189 0.000 1.606 477 M HN -0.241 nan 8.290 nan 0.000 0.448 478 K N 3.102 123.443 120.400 -0.100 0.000 2.464 478 K HA 0.440 4.754 4.320 -0.011 0.000 0.252 478 K C -1.339 175.264 176.600 0.004 0.000 1.000 478 K CA -0.008 56.286 56.287 0.012 0.000 0.951 478 K CB 0.534 33.016 32.500 -0.030 0.000 1.183 478 K HN 0.257 nan 8.250 nan 0.000 0.445 479 F N 1.514 121.453 119.950 -0.018 0.000 2.382 479 F HA 0.344 4.864 4.527 -0.011 0.000 0.331 479 F C 1.321 177.055 175.800 -0.110 0.000 1.121 479 F CA -0.469 57.463 58.000 -0.114 0.000 1.183 479 F CB 0.667 39.547 39.000 -0.200 0.000 1.207 479 F HN 0.168 nan 8.300 nan 0.000 0.555 480 K N 0.838 121.250 120.400 0.019 0.000 2.156 480 K HA 0.473 4.787 4.320 -0.011 0.000 0.242 480 K C -0.227 176.374 176.600 0.002 0.000 1.033 480 K CA -0.523 55.758 56.287 -0.010 0.000 0.878 480 K CB 0.292 32.762 32.500 -0.050 0.000 1.057 480 K HN 0.690 nan 8.250 nan 0.000 0.505 481 A N 0.347 123.160 122.820 -0.012 0.000 2.409 481 A HA 0.444 4.758 4.320 -0.011 0.000 0.267 481 A C 0.993 178.560 177.584 -0.027 0.000 1.127 481 A CA 0.674 52.701 52.037 -0.016 0.000 0.795 481 A CB -0.372 18.619 19.000 -0.015 0.000 1.061 481 A HN 0.846 nan 8.150 nan 0.000 0.502 482 G N 1.269 110.049 108.800 -0.034 0.000 2.307 482 G HA2 -0.167 3.787 3.960 -0.011 0.000 0.210 482 G HA3 -0.167 3.787 3.960 -0.011 0.000 0.210 482 G C 0.273 175.140 174.900 -0.056 0.000 1.005 482 G CA -0.141 44.935 45.100 -0.040 0.000 0.634 482 G HN 1.397 nan 8.290 nan 0.000 0.496 483 V N 3.197 123.071 119.914 -0.066 0.000 2.539 483 V HA 0.194 4.308 4.120 -0.011 0.000 0.300 483 V C 1.035 177.048 176.094 -0.135 0.000 1.019 483 V CA 0.759 62.998 62.300 -0.101 0.000 1.160 483 V CB 0.592 32.358 31.823 -0.095 0.000 0.901 483 V HN 0.424 nan 8.190 nan 0.000 0.481 484 K N 4.734 125.063 120.400 -0.119 0.000 2.107 484 K HA 0.277 4.590 4.320 -0.011 0.000 0.251 484 K C 1.472 177.983 176.600 -0.149 0.000 1.012 484 K CA -0.631 55.591 56.287 -0.108 0.000 0.920 484 K CB 0.955 33.417 32.500 -0.064 0.000 1.033 484 K HN 0.692 nan 8.250 nan 0.000 0.478 485 R N 0.754 121.182 120.500 -0.120 0.000 2.103 485 R HA -0.199 4.134 4.340 -0.011 0.000 0.242 485 R C 1.812 178.055 176.300 -0.095 0.000 1.142 485 R CA 1.840 57.865 56.100 -0.125 0.000 0.960 485 R CB -0.661 29.595 30.300 -0.073 0.000 0.858 485 R HN 0.612 nan 8.270 nan 0.000 0.439 486 A N 1.438 124.232 122.820 -0.045 0.000 1.969 486 A HA -0.151 4.162 4.320 -0.011 0.000 0.218 486 A C 1.904 179.481 177.584 -0.012 0.000 1.169 486 A CA 1.502 53.541 52.037 0.003 0.000 0.635 486 A CB -0.283 18.743 19.000 0.043 0.000 0.810 486 A HN 0.594 nan 8.150 nan 0.000 0.445 487 E N -0.276 119.889 120.200 -0.058 0.000 2.072 487 E HA -0.081 4.262 4.350 -0.011 0.000 0.190 487 E C 1.960 178.507 176.600 -0.089 0.000 0.982 487 E CA 1.097 57.461 56.400 -0.060 0.000 0.803 487 E CB -0.297 29.349 29.700 -0.089 0.000 0.755 487 E HN 0.398 nan 8.360 nan 0.000 0.453 488 V N 1.161 120.920 119.914 -0.259 0.000 2.237 488 V HA -0.291 3.822 4.120 -0.011 0.000 0.245 488 V C 2.472 178.497 176.094 -0.115 0.000 1.046 488 V CA 2.026 64.043 62.300 -0.472 0.000 1.007 488 V CB -0.689 30.697 31.823 -0.727 0.000 0.638 488 V HN 0.261 nan 8.190 nan 0.000 0.445 489 S N 0.250 115.907 115.700 -0.073 0.000 2.365 489 S HA -0.256 4.208 4.470 -0.011 0.000 0.225 489 S C 1.939 176.599 174.600 0.100 0.000 1.039 489 S CA 2.105 60.319 58.200 0.023 0.000 1.033 489 S CB -0.505 62.713 63.200 0.030 0.000 0.887 489 S HN 0.664 nan 8.310 nan 0.000 0.447 490 N N 1.409 120.170 118.700 0.102 0.000 2.188 490 N HA 0.041 4.774 4.740 -0.011 0.000 0.184 490 N C 1.912 177.571 175.510 0.249 0.000 1.018 490 N CA 1.231 54.370 53.050 0.148 0.000 0.858 490 N CB -0.807 37.748 38.487 0.113 0.000 0.989 490 N HN 0.502 nan 8.380 nan 0.000 0.426 491 A N 1.311 124.307 122.820 0.293 0.000 1.933 491 A HA -0.059 4.255 4.320 -0.011 0.000 0.218 491 A C 2.306 180.278 177.584 0.647 0.000 1.175 491 A CA 0.845 53.194 52.037 0.520 0.000 0.628 491 A CB -0.564 18.621 19.000 0.308 0.000 0.814 491 A HN 0.197 nan 8.150 nan 0.000 0.444 492 I N -0.264 120.570 120.570 0.439 0.000 2.202 492 I HA -0.204 3.960 4.170 -0.011 0.000 0.242 492 I C 1.797 178.115 176.117 0.335 0.000 1.091 492 I CA 1.365 62.896 61.300 0.385 0.000 1.368 492 I CB -0.473 37.675 38.000 0.247 0.000 1.058 492 I HN 0.252 nan 8.210 nan 0.000 0.410 493 D N 0.668 121.217 120.400 0.249 0.000 2.144 493 D HA -0.198 4.436 4.640 -0.011 0.000 0.199 493 D C 2.233 178.632 176.300 0.166 0.000 0.984 493 D CA 1.258 55.369 54.000 0.184 0.000 0.834 493 D CB -0.250 40.639 40.800 0.149 0.000 0.955 493 D HN 0.470 nan 8.370 nan 0.000 0.465 494 Q N -0.638 119.285 119.800 0.204 0.000 2.079 494 Q HA -0.176 4.158 4.340 -0.011 0.000 0.200 494 Q C 2.082 178.110 176.000 0.047 0.000 0.974 494 Q CA 0.888 56.752 55.803 0.102 0.000 0.840 494 Q CB -0.232 28.569 28.738 0.105 0.000 0.898 494 Q HN 0.362 nan 8.270 nan 0.000 0.430 495 Y N 1.363 121.703 120.300 0.065 0.000 2.097 495 Y HA -0.251 4.293 4.550 -0.011 0.000 0.282 495 Y C 2.188 178.061 175.900 -0.045 0.000 1.152 495 Y CA 1.706 59.808 58.100 0.002 0.000 1.136 495 Y CB -0.342 38.278 38.460 0.267 0.000 0.975 495 Y HN 0.035 nan 8.280 nan 0.000 0.498 496 V N -1.909 118.004 119.914 -0.001 0.000 2.871 496 V HA -0.074 4.039 4.120 -0.011 0.000 0.256 496 V C 1.658 177.695 176.094 -0.094 0.000 1.082 496 V CA 2.074 64.307 62.300 -0.111 0.000 1.105 496 V CB -1.316 30.526 31.823 0.033 0.000 0.713 496 V HN 0.595 nan 8.190 nan 0.000 0.473 497 T N -3.181 111.341 114.554 -0.054 0.000 3.069 497 T HA 0.425 4.769 4.350 -0.011 0.000 0.252 497 T C 1.540 176.187 174.700 -0.088 0.000 1.053 497 T CA 0.553 62.627 62.100 -0.043 0.000 0.964 497 T CB 0.100 68.969 68.868 0.003 0.000 1.005 497 T HN 1.649 nan 8.240 nan 0.000 0.532 498 G N 2.217 110.926 108.800 -0.153 0.000 2.272 498 G HA2 -0.239 3.715 3.960 -0.011 0.000 0.280 498 G HA3 -0.239 3.715 3.960 -0.011 0.000 0.280 498 G C 0.376 175.189 174.900 -0.145 0.000 1.067 498 G CA 0.391 45.384 45.100 -0.179 0.000 0.902 498 G HN 1.144 nan 8.290 nan 0.000 0.500 499 T N -2.628 111.845 114.554 -0.136 0.000 3.355 499 T HA 0.569 4.913 4.350 -0.011 0.000 0.276 499 T C 1.851 176.467 174.700 -0.139 0.000 1.003 499 T CA 0.225 62.263 62.100 -0.103 0.000 0.943 499 T CB 0.089 68.930 68.868 -0.046 0.000 1.158 499 T HN 0.270 nan 8.240 nan 0.000 0.513 500 I N 1.550 121.961 120.570 -0.264 0.000 2.233 500 I HA 0.325 4.489 4.170 -0.011 0.000 0.243 500 I C 1.745 177.737 176.117 -0.208 0.000 1.093 500 I CA 1.244 62.303 61.300 -0.401 0.000 1.380 500 I CB -0.543 36.966 38.000 -0.818 0.000 1.067 500 I HN 0.737 nan 8.210 nan 0.000 0.413 501 G N 0.776 109.473 108.800 -0.171 0.000 2.498 501 G HA2 -0.102 3.852 3.960 -0.011 0.000 0.651 501 G HA3 -0.102 3.852 3.960 -0.011 0.000 0.651 501 G C -0.699 174.152 174.900 -0.081 0.000 1.284 501 G CA -0.694 44.350 45.100 -0.093 0.000 0.950 501 G HN 0.261 nan 8.290 nan 0.000 0.511 502 E N -0.479 119.695 120.200 -0.042 0.000 2.672 502 E HA 0.554 4.898 4.350 -0.011 0.000 0.235 502 E C 0.740 177.340 176.600 0.000 0.000 0.906 502 E CA -0.277 56.107 56.400 -0.026 0.000 0.973 502 E CB 0.696 30.381 29.700 -0.026 0.000 1.478 502 E HN 0.554 nan 8.360 nan 0.000 0.430 503 D N 0.858 121.261 120.400 0.006 0.000 3.509 503 D HA -0.317 4.316 4.640 -0.011 0.000 0.540 503 D C 1.395 177.714 176.300 0.031 0.000 0.574 503 D CA 2.246 56.256 54.000 0.017 0.000 1.198 503 D CB -0.372 40.434 40.800 0.010 0.000 0.254 503 D HN 0.450 nan 8.370 nan 0.000 0.216 504 E N 0.531 120.748 120.200 0.028 0.000 2.070 504 E HA -0.182 4.161 4.350 -0.011 0.000 0.197 504 E C 1.790 178.422 176.600 0.055 0.000 1.004 504 E CA 1.502 57.924 56.400 0.037 0.000 0.805 504 E CB -0.480 29.236 29.700 0.027 0.000 0.744 504 E HN 0.489 nan 8.360 nan 0.000 0.451 505 D N 0.736 121.163 120.400 0.045 0.000 2.106 505 D HA -0.176 4.458 4.640 -0.011 0.000 0.191 505 D C 2.142 178.507 176.300 0.108 0.000 0.997 505 D CA 0.787 54.822 54.000 0.059 0.000 0.834 505 D CB -0.321 40.489 40.800 0.017 0.000 0.956 505 D HN 0.082 nan 8.370 nan 0.000 0.448 506 L N 1.080 122.353 121.223 0.084 0.000 2.131 506 L HA -0.122 4.212 4.340 -0.011 0.000 0.210 506 L C 2.283 179.293 176.870 0.233 0.000 1.092 506 L CA 1.113 56.039 54.840 0.144 0.000 0.759 506 L CB -0.415 41.685 42.059 0.069 0.000 0.903 506 L HN -0.152 nan 8.230 nan 0.000 0.435 507 V N -0.071 119.932 119.914 0.149 0.000 2.223 507 V HA -0.344 3.770 4.120 -0.011 0.000 0.244 507 V C 2.526 178.702 176.094 0.138 0.000 1.045 507 V CA 2.274 64.650 62.300 0.126 0.000 1.000 507 V CB -0.740 31.128 31.823 0.076 0.000 0.635 507 V HN 0.445 nan 8.190 nan 0.000 0.445 508 K N -1.258 119.218 120.400 0.126 0.000 2.113 508 K HA -0.277 4.037 4.320 -0.011 0.000 0.208 508 K C 1.913 178.591 176.600 0.129 0.000 1.047 508 K CA 2.169 58.515 56.287 0.100 0.000 0.928 508 K CB -0.354 32.201 32.500 0.091 0.000 0.716 508 K HN 0.618 nan 8.250 nan 0.000 0.446 509 W N 2.325 123.650 121.300 0.041 0.000 2.353 509 W HA -0.194 4.460 4.660 -0.011 0.000 0.319 509 W C 1.983 178.583 176.519 0.134 0.000 1.207 509 W CA 1.528 58.924 57.345 0.085 0.000 1.291 509 W CB -0.213 29.329 29.460 0.137 0.000 1.159 509 W HN 0.038 nan 8.180 nan 0.000 0.478 510 Q N -0.109 119.897 119.800 0.342 0.000 2.226 510 Q HA -0.107 4.227 4.340 -0.011 0.000 0.204 510 Q C 1.900 177.916 176.000 0.027 0.000 0.975 510 Q CA 1.248 57.183 55.803 0.221 0.000 0.866 510 Q CB -0.632 28.259 28.738 0.254 0.000 0.915 510 Q HN 0.316 nan 8.270 nan 0.000 0.440 511 A N 0.157 122.962 122.820 -0.026 0.000 2.236 511 A HA 0.032 4.346 4.320 -0.011 0.000 0.214 511 A C 1.199 178.664 177.584 -0.198 0.000 1.287 511 A CA 0.538 52.529 52.037 -0.077 0.000 0.909 511 A CB -0.320 18.662 19.000 -0.030 0.000 0.839 511 A HN 0.313 nan 8.150 nan 0.000 0.486 512 M N -1.851 117.490 119.600 -0.433 0.000 2.268 512 M HA 0.332 4.805 4.480 -0.011 0.000 0.355 512 M C -1.065 174.747 176.300 -0.813 0.000 0.938 512 M CA 0.141 55.085 55.300 -0.593 0.000 1.025 512 M CB 0.772 32.944 32.600 -0.713 0.000 1.773 512 M HN 0.297 nan 8.290 nan 0.000 0.613 513 F N 0.515 120.243 119.950 -0.370 0.000 2.469 513 F HA 0.299 4.819 4.527 -0.011 0.000 0.332 513 F C 1.419 177.066 175.800 -0.255 0.000 1.103 513 F CA -0.867 56.868 58.000 -0.442 0.000 0.979 513 F CB 0.972 39.610 39.000 -0.603 0.000 1.137 513 F HN -0.003 nan 8.300 nan 0.000 0.463 514 E N 1.352 121.535 120.200 -0.029 0.000 2.150 514 E HA -0.097 4.246 4.350 -0.011 0.000 0.193 514 E C -0.444 176.134 176.600 -0.036 0.000 0.985 514 E CA 1.117 57.498 56.400 -0.031 0.000 0.814 514 E CB 0.273 29.958 29.700 -0.024 0.000 0.752 514 E HN 0.695 nan 8.360 nan 0.000 0.466 515 E N 0.618 120.785 120.200 -0.055 0.000 2.373 515 E HA 0.198 4.542 4.350 -0.011 0.000 0.251 515 E C -1.304 175.187 176.600 -0.181 0.000 0.923 515 E CA -0.484 55.860 56.400 -0.093 0.000 0.798 515 E CB 2.351 31.991 29.700 -0.100 0.000 1.303 515 E HN -0.079 nan 8.360 nan 0.000 0.412 516 V N 4.094 123.910 119.914 -0.163 0.000 2.625 516 V HA -0.037 4.077 4.120 -0.011 0.000 0.305 516 V C -1.879 173.968 176.094 -0.412 0.000 1.055 516 V CA -0.528 61.583 62.300 -0.315 0.000 1.209 516 V CB -0.494 31.260 31.823 -0.115 0.000 0.877 516 V HN 0.560 nan 8.190 nan 0.000 0.489 517 P HA 0.317 nan 4.420 nan 0.000 0.271 517 P C -0.387 176.788 177.300 -0.207 0.000 1.216 517 P CA -0.164 62.618 63.100 -0.530 0.000 0.776 517 P CB 0.606 31.769 31.700 -0.895 0.000 0.881 518 A N 3.306 126.054 122.820 -0.120 0.000 2.488 518 A HA 0.090 4.404 4.320 -0.011 0.000 0.249 518 A C 0.429 178.060 177.584 0.078 0.000 1.083 518 A CA -0.270 51.752 52.037 -0.025 0.000 0.768 518 A CB -0.259 18.719 19.000 -0.036 0.000 1.017 518 A HN 0.459 nan 8.150 nan 0.000 0.496 519 Q N 1.137 120.988 119.800 0.085 0.000 2.349 519 Q HA 0.083 4.417 4.340 -0.011 0.000 0.287 519 Q C -0.356 175.609 176.000 -0.058 0.000 1.044 519 Q CA 0.431 56.280 55.803 0.077 0.000 0.918 519 Q CB 0.573 29.296 28.738 -0.025 0.000 1.242 519 Q HN 0.650 nan 8.270 nan 0.000 0.405 520 L N 3.058 124.122 121.223 -0.265 0.000 2.369 520 L HA 0.093 4.427 4.340 -0.011 0.000 0.279 520 L C 0.938 177.667 176.870 -0.236 0.000 1.108 520 L CA -0.247 54.396 54.840 -0.327 0.000 0.852 520 L CB 0.432 42.139 42.059 -0.587 0.000 1.169 520 L HN 0.679 nan 8.230 nan 0.000 0.452 521 T N -1.118 113.348 114.554 -0.146 0.000 2.882 521 T HA 0.144 4.487 4.350 -0.011 0.000 0.287 521 T C 1.060 175.709 174.700 -0.085 0.000 1.014 521 T CA -0.894 61.146 62.100 -0.100 0.000 1.049 521 T CB 1.498 70.331 68.868 -0.058 0.000 1.001 521 T HN 0.463 nan 8.240 nan 0.000 0.525 522 E N 1.076 121.237 120.200 -0.064 0.000 2.118 522 E HA -0.120 4.223 4.350 -0.011 0.000 0.195 522 E C 2.378 178.972 176.600 -0.009 0.000 0.992 522 E CA 1.539 57.915 56.400 -0.040 0.000 0.804 522 E CB -0.935 28.746 29.700 -0.032 0.000 0.741 522 E HN 0.850 nan 8.360 nan 0.000 0.458 523 A N 1.311 124.128 122.820 -0.005 0.000 1.930 523 A HA -0.201 4.113 4.320 -0.011 0.000 0.217 523 A C 2.041 179.651 177.584 0.044 0.000 1.175 523 A CA 1.504 53.552 52.037 0.018 0.000 0.627 523 A CB -0.382 18.625 19.000 0.013 0.000 0.815 523 A HN 0.226 nan 8.150 nan 0.000 0.443 524 E N -0.074 120.143 120.200 0.029 0.000 2.106 524 E HA -0.156 4.187 4.350 -0.011 0.000 0.192 524 E C 2.026 178.699 176.600 0.122 0.000 0.984 524 E CA 1.207 57.647 56.400 0.067 0.000 0.806 524 E CB -0.129 29.570 29.700 -0.003 0.000 0.750 524 E HN 0.582 nan 8.360 nan 0.000 0.458 525 K N 1.196 121.631 120.400 0.058 0.000 2.002 525 K HA -0.139 4.175 4.320 -0.011 0.000 0.209 525 K C 2.095 178.808 176.600 0.188 0.000 1.048 525 K CA 1.250 57.603 56.287 0.110 0.000 0.930 525 K CB -0.079 32.436 32.500 0.024 0.000 0.714 525 K HN -0.018 nan 8.250 nan 0.000 0.438 526 K N 1.042 121.515 120.400 0.121 0.000 2.063 526 K HA -0.244 4.070 4.320 -0.011 0.000 0.208 526 K C 2.352 179.036 176.600 0.140 0.000 1.048 526 K CA 1.542 57.897 56.287 0.114 0.000 0.928 526 K CB -0.105 32.435 32.500 0.067 0.000 0.713 526 K HN 0.235 nan 8.250 nan 0.000 0.442 527 Q N 0.384 120.278 119.800 0.157 0.000 2.084 527 Q HA -0.192 4.142 4.340 -0.011 0.000 0.202 527 Q C 1.917 178.054 176.000 0.229 0.000 0.978 527 Q CA 1.298 57.199 55.803 0.163 0.000 0.844 527 Q CB -0.104 28.730 28.738 0.161 0.000 0.898 527 Q HN 0.552 nan 8.270 nan 0.000 0.426 528 W N 0.901 122.287 121.300 0.143 0.000 2.381 528 W HA -0.164 4.489 4.660 -0.011 0.000 0.301 528 W C 1.573 178.315 176.519 0.371 0.000 1.205 528 W CA 0.996 58.452 57.345 0.185 0.000 1.285 528 W CB -0.156 29.395 29.460 0.153 0.000 1.133 528 W HN 0.184 nan 8.180 nan 0.000 0.521 529 I N 1.546 122.323 120.570 0.345 0.000 2.335 529 I HA -0.297 3.867 4.170 -0.011 0.000 0.251 529 I C 2.589 178.756 176.117 0.083 0.000 1.129 529 I CA 1.444 62.934 61.300 0.317 0.000 1.402 529 I CB -0.807 37.346 38.000 0.254 0.000 1.069 529 I HN -0.056 nan 8.210 nan 0.000 0.424 530 A N 0.479 123.328 122.820 0.049 0.000 2.121 530 A HA -0.149 4.165 4.320 -0.011 0.000 0.218 530 A C 2.191 179.721 177.584 -0.090 0.000 1.154 530 A CA 1.134 53.158 52.037 -0.022 0.000 0.679 530 A CB -0.331 18.672 19.000 0.004 0.000 0.795 530 A HN 0.366 nan 8.150 nan 0.000 0.458 531 K N -1.039 119.288 120.400 -0.121 0.000 2.243 531 K HA 0.089 4.403 4.320 -0.011 0.000 0.201 531 K C 0.278 176.682 176.600 -0.326 0.000 1.051 531 K CA -0.136 56.037 56.287 -0.189 0.000 0.970 531 K CB -0.239 32.104 32.500 -0.262 0.000 0.755 531 K HN 0.409 nan 8.250 nan 0.000 0.465 532 L N 2.239 123.108 121.223 -0.591 0.000 2.490 532 L HA 0.012 4.345 4.340 -0.011 0.000 0.274 532 L C 0.128 176.713 176.870 -0.476 0.000 1.201 532 L CA 0.949 55.227 54.840 -0.937 0.000 0.869 532 L CB 0.519 41.760 42.059 -1.363 0.000 1.123 532 L HN 0.200 nan 8.230 nan 0.000 0.484 533 T N 1.608 115.932 114.554 -0.383 0.000 2.812 533 T HA 0.693 5.036 4.350 -0.011 0.000 0.294 533 T C 0.293 174.903 174.700 -0.151 0.000 1.159 533 T CA -0.356 61.610 62.100 -0.224 0.000 1.008 533 T CB 1.232 70.004 68.868 -0.160 0.000 1.289 533 T HN 1.797 nan 8.240 nan 0.000 0.514 534 A N -0.126 122.633 122.820 -0.101 0.000 2.799 534 A HA -0.025 4.289 4.320 -0.011 0.000 0.287 534 A C 0.411 178.059 177.584 0.107 0.000 1.484 534 A CA 0.701 52.763 52.037 0.042 0.000 0.813 534 A CB -2.686 16.389 19.000 0.126 0.000 1.009 534 A HN 1.288 nan 8.150 nan 0.000 0.545 535 V N 0.401 120.314 119.914 -0.001 0.000 2.732 535 V HA 0.530 4.644 4.120 -0.011 0.000 0.297 535 V C 0.968 177.132 176.094 0.118 0.000 1.060 535 V CA 0.294 62.619 62.300 0.042 0.000 1.038 535 V CB 1.790 33.623 31.823 0.016 0.000 1.003 535 V HN 0.615 nan 8.190 nan 0.000 0.481 536 S N 3.479 119.247 115.700 0.113 0.000 2.578 536 S HA 0.785 5.249 4.470 -0.011 0.000 0.301 536 S C -0.713 173.882 174.600 -0.009 0.000 1.091 536 S CA -0.503 57.758 58.200 0.101 0.000 1.032 536 S CB 1.532 64.760 63.200 0.047 0.000 1.064 536 S HN 0.617 nan 8.310 nan 0.000 0.508 537 L N 1.721 122.914 121.223 -0.051 0.000 2.431 537 L HA 0.710 5.043 4.340 -0.011 0.000 0.266 537 L C -0.905 175.924 176.870 -0.069 0.000 0.978 537 L CA -0.140 54.607 54.840 -0.155 0.000 0.822 537 L CB 2.052 43.934 42.059 -0.294 0.000 1.310 537 L HN 0.667 nan 8.230 nan 0.000 0.409 538 S N 2.407 118.063 115.700 -0.073 0.000 2.500 538 S HA 0.656 5.119 4.470 -0.011 0.000 0.301 538 S C -1.058 173.502 174.600 -0.067 0.000 1.092 538 S CA -0.365 57.811 58.200 -0.040 0.000 1.030 538 S CB 1.822 65.019 63.200 -0.006 0.000 1.031 538 S HN 0.670 nan 8.310 nan 0.000 0.483 539 S N 1.912 117.524 115.700 -0.146 0.000 2.501 539 S HA 0.357 4.821 4.470 -0.011 0.000 0.301 539 S C 0.722 175.206 174.600 -0.194 0.000 1.096 539 S CA -0.639 57.428 58.200 -0.221 0.000 1.063 539 S CB 1.054 63.851 63.200 -0.672 0.000 1.042 539 S HN 0.874 nan 8.310 nan 0.000 0.494 540 D N 3.094 123.425 120.400 -0.114 0.000 2.219 540 D HA 0.152 4.786 4.640 -0.011 0.000 0.205 540 D C 0.612 176.759 176.300 -0.255 0.000 0.970 540 D CA 0.854 54.792 54.000 -0.103 0.000 0.851 540 D CB -0.135 40.708 40.800 0.072 0.000 0.943 540 D HN 0.514 nan 8.370 nan 0.000 0.488 541 A N -0.724 121.930 122.820 -0.276 0.000 2.564 541 A HA 0.567 4.881 4.320 -0.011 0.000 0.288 541 A C -0.754 176.587 177.584 -0.406 0.000 1.164 541 A CA -0.990 50.804 52.037 -0.406 0.000 0.712 541 A CB 0.476 19.204 19.000 -0.454 0.000 1.303 541 A HN 0.153 nan 8.150 nan 0.000 0.418 542 F N -0.656 119.123 119.950 -0.285 0.000 2.553 542 F HA 0.590 5.113 4.527 -0.007 0.000 0.356 542 F C -0.777 174.911 175.800 -0.186 0.000 1.142 542 F CA -0.846 56.980 58.000 -0.290 0.000 1.322 542 F CB -0.299 38.559 39.000 -0.236 0.000 1.126 542 F HN 0.228 nan 8.300 nan 0.000 0.599 543 F N 4.151 124.243 119.950 0.237 0.000 2.444 543 F HA 0.331 4.852 4.527 -0.010 0.000 0.360 543 F C -1.499 174.405 175.800 0.172 0.000 1.106 543 F CA -2.312 55.770 58.000 0.136 0.000 1.170 543 F CB 0.495 39.561 39.000 0.109 0.000 1.113 543 F HN 0.345 nan 8.300 nan 0.000 0.521 544 P HA -0.081 nan 4.420 nan 0.000 0.215 544 P C -0.355 176.572 177.300 -0.623 0.000 1.157 544 P CA 1.563 64.520 63.100 -0.238 0.000 0.863 544 P CB 0.274 31.691 31.700 -0.473 0.000 0.787 545 F N -2.549 117.501 119.950 0.167 0.000 2.654 545 F HA 0.393 4.914 4.527 -0.011 0.000 0.334 545 F C 1.806 177.630 175.800 0.041 0.000 1.078 545 F CA -1.139 56.914 58.000 0.089 0.000 0.986 545 F CB 0.788 39.819 39.000 0.051 0.000 1.362 545 F HN -0.394 nan 8.300 nan 0.000 0.498 546 R N -0.257 120.382 120.500 0.230 0.000 2.316 546 R HA -0.059 4.275 4.340 -0.011 0.000 0.202 546 R C 0.631 176.943 176.300 0.019 0.000 1.029 546 R CA 1.433 57.582 56.100 0.082 0.000 1.018 546 R CB -0.770 29.569 30.300 0.066 0.000 0.888 546 R HN 0.664 nan 8.270 nan 0.000 0.471 547 D N 0.978 121.414 120.400 0.060 0.000 2.221 547 D HA -0.215 4.418 4.640 -0.011 0.000 0.204 547 D C 1.029 177.291 176.300 -0.063 0.000 0.982 547 D CA 1.070 55.076 54.000 0.010 0.000 0.857 547 D CB -0.514 40.309 40.800 0.038 0.000 0.934 547 D HN 0.273 nan 8.370 nan 0.000 0.475 548 N N 0.385 118.988 118.700 -0.162 0.000 2.120 548 N HA -0.093 4.641 4.740 -0.011 0.000 0.188 548 N C 1.989 177.263 175.510 -0.393 0.000 1.024 548 N CA 1.201 54.011 53.050 -0.400 0.000 0.852 548 N CB -0.037 37.839 38.487 -1.018 0.000 1.003 548 N HN 0.197 nan 8.380 nan 0.000 0.424 549 V N 2.120 121.844 119.914 -0.317 0.000 2.358 549 V HA -0.167 3.946 4.120 -0.011 0.000 0.246 549 V C 1.807 177.837 176.094 -0.107 0.000 1.047 549 V CA 1.533 63.715 62.300 -0.197 0.000 1.035 549 V CB -0.459 31.294 31.823 -0.117 0.000 0.658 549 V HN 0.169 nan 8.190 nan 0.000 0.452 550 D N 0.120 120.474 120.400 -0.076 0.000 2.097 550 D HA -0.193 4.441 4.640 -0.011 0.000 0.195 550 D C 2.311 178.595 176.300 -0.026 0.000 0.989 550 D CA 1.480 55.455 54.000 -0.042 0.000 0.827 550 D CB -0.210 40.574 40.800 -0.027 0.000 0.966 550 D HN 0.256 nan 8.370 nan 0.000 0.456 551 R N 1.438 121.925 120.500 -0.022 0.000 2.073 551 R HA -0.047 4.287 4.340 -0.011 0.000 0.234 551 R C 2.035 178.368 176.300 0.055 0.000 1.134 551 R CA 1.844 57.955 56.100 0.018 0.000 0.952 551 R CB -0.850 29.473 30.300 0.037 0.000 0.850 551 R HN 0.071 nan 8.270 nan 0.000 0.433 552 A N 0.613 123.465 122.820 0.053 0.000 1.902 552 A HA -0.188 4.126 4.320 -0.011 0.000 0.217 552 A C 2.090 179.717 177.584 0.072 0.000 1.181 552 A CA 1.967 54.087 52.037 0.139 0.000 0.623 552 A CB -0.595 18.403 19.000 -0.004 0.000 0.818 552 A HN 0.359 nan 8.150 nan 0.000 0.443 553 K N 0.107 120.503 120.400 -0.007 0.000 2.152 553 K HA -0.105 4.209 4.320 -0.011 0.000 0.206 553 K C 2.038 178.618 176.600 -0.033 0.000 1.048 553 K CA 1.626 57.890 56.287 -0.039 0.000 0.933 553 K CB -0.318 32.150 32.500 -0.053 0.000 0.721 553 K HN 0.427 nan 8.250 nan 0.000 0.447 554 R N -0.421 120.071 120.500 -0.012 0.000 2.193 554 R HA -0.037 4.297 4.340 -0.011 0.000 0.229 554 R C 0.751 177.035 176.300 -0.025 0.000 1.110 554 R CA 1.094 57.186 56.100 -0.014 0.000 0.988 554 R CB -0.044 30.256 30.300 0.000 0.000 0.871 554 R HN 0.249 nan 8.270 nan 0.000 0.458 555 I N -0.402 120.152 120.570 -0.026 0.000 3.856 555 I HA 0.288 4.452 4.170 -0.011 0.000 0.330 555 I C 0.380 176.434 176.117 -0.105 0.000 1.546 555 I CA 0.298 61.556 61.300 -0.070 0.000 1.132 555 I CB 0.744 38.670 38.000 -0.124 0.000 1.157 555 I HN 0.276 nan 8.210 nan 0.000 0.440 556 G N 0.531 109.269 108.800 -0.103 0.000 2.141 556 G HA2 -0.202 3.752 3.960 -0.011 0.000 0.242 556 G HA3 -0.202 3.752 3.960 -0.011 0.000 0.242 556 G C 0.322 175.149 174.900 -0.121 0.000 0.982 556 G CA 0.144 45.157 45.100 -0.146 0.000 0.662 556 G HN 0.272 nan 8.290 nan 0.000 0.527 557 V N 0.772 120.652 119.914 -0.057 0.000 2.540 557 V HA 0.287 4.401 4.120 -0.011 0.000 0.297 557 V C 1.335 177.297 176.094 -0.220 0.000 1.024 557 V CA 1.779 64.034 62.300 -0.075 0.000 1.105 557 V CB 1.592 33.409 31.823 -0.009 0.000 0.938 557 V HN 0.586 nan 8.190 nan 0.000 0.482 558 Q N 3.586 123.135 119.800 -0.418 0.000 2.245 558 Q HA 0.285 4.619 4.340 -0.011 0.000 0.250 558 Q C -0.676 174.696 176.000 -1.047 0.000 0.830 558 Q CA 0.094 55.417 55.803 -0.800 0.000 0.950 558 Q CB 0.697 28.746 28.738 -1.149 0.000 1.124 558 Q HN 0.672 nan 8.270 nan 0.000 0.502 559 F N 0.715 120.614 119.950 -0.084 0.000 2.547 559 F HA 0.567 5.087 4.527 -0.011 0.000 0.316 559 F C -0.541 175.197 175.800 -0.104 0.000 1.121 559 F CA -0.854 57.080 58.000 -0.110 0.000 0.911 559 F CB 1.521 40.430 39.000 -0.152 0.000 1.179 559 F HN -0.158 nan 8.300 nan 0.000 0.443 560 I N 3.102 123.710 120.570 0.063 0.000 2.582 560 I HA 0.583 4.746 4.170 -0.011 0.000 0.292 560 I C -1.412 174.730 176.117 0.042 0.000 1.066 560 I CA -1.176 60.156 61.300 0.052 0.000 1.053 560 I CB 2.531 40.592 38.000 0.102 0.000 1.241 560 I HN 0.402 nan 8.210 nan 0.000 0.421 561 V N 5.621 125.559 119.914 0.040 0.000 2.588 561 V HA 0.964 5.078 4.120 -0.011 0.000 0.304 561 V C -0.866 175.243 176.094 0.026 0.000 1.042 561 V CA 0.012 62.356 62.300 0.073 0.000 0.877 561 V CB 1.530 33.447 31.823 0.157 0.000 0.996 561 V HN 0.925 nan 8.190 nan 0.000 0.425 562 A N 6.894 129.738 122.820 0.040 0.000 2.608 562 A HA 0.922 5.236 4.320 -0.011 0.000 0.292 562 A C -3.316 174.256 177.584 -0.021 0.000 1.066 562 A CA -1.334 50.646 52.037 -0.095 0.000 0.676 562 A CB 2.110 20.907 19.000 -0.337 0.000 1.277 562 A HN 0.617 nan 8.150 nan 0.000 0.413 563 P HA 0.289 nan 4.420 nan 0.000 0.272 563 P C 0.205 177.371 177.300 -0.223 0.000 1.223 563 P CA 0.081 63.109 63.100 -0.119 0.000 0.784 563 P CB 0.968 32.593 31.700 -0.125 0.000 0.923 564 S N 0.830 116.305 115.700 -0.374 0.000 2.686 564 S HA 0.655 5.119 4.470 -0.011 0.000 0.270 564 S C 1.011 175.351 174.600 -0.433 0.000 1.194 564 S CA 0.221 57.990 58.200 -0.718 0.000 0.990 564 S CB 0.520 63.366 63.200 -0.590 0.000 1.029 564 S HN 0.786 nan 8.310 nan 0.000 0.560 565 G N -0.797 107.644 108.800 -0.598 0.000 2.613 565 G HA2 -0.067 3.886 3.960 -0.011 0.000 0.199 565 G HA3 -0.067 3.886 3.960 -0.011 0.000 0.199 565 G C 0.040 174.073 174.900 -1.445 0.000 0.991 565 G CA 0.069 44.661 45.100 -0.847 0.000 0.756 565 G HN 1.044 nan 8.290 nan 0.000 0.515 566 S N 0.411 115.381 115.700 -1.216 0.000 2.584 566 S HA 0.648 5.112 4.470 -0.011 0.000 0.273 566 S C 1.685 176.032 174.600 -0.422 0.000 1.311 566 S CA 0.846 58.529 58.200 -0.862 0.000 1.034 566 S CB 1.339 64.311 63.200 -0.380 0.000 0.939 566 S HN 1.412 nan 8.310 nan 0.000 0.513 567 A N 3.420 126.069 122.820 -0.285 0.000 2.168 567 A HA 0.309 4.623 4.320 -0.011 0.000 0.215 567 A C 1.586 179.121 177.584 -0.081 0.000 1.152 567 A CA 1.151 53.102 52.037 -0.144 0.000 0.716 567 A CB -0.546 18.410 19.000 -0.073 0.000 0.794 567 A HN 1.125 nan 8.150 nan 0.000 0.465 568 A N -0.888 121.875 122.820 -0.095 0.000 2.574 568 A HA 0.318 4.631 4.320 -0.011 0.000 0.283 568 A C 0.957 178.545 177.584 0.006 0.000 1.270 568 A CA 0.307 52.341 52.037 -0.004 0.000 0.945 568 A CB -0.145 18.893 19.000 0.063 0.000 1.127 568 A HN 0.253 nan 8.150 nan 0.000 0.522 569 D N 0.892 121.269 120.400 -0.039 0.000 2.116 569 D HA -0.180 4.454 4.640 -0.011 0.000 0.193 569 D C 1.610 177.967 176.300 0.095 0.000 0.998 569 D CA 1.388 55.411 54.000 0.039 0.000 0.836 569 D CB 0.128 40.914 40.800 -0.023 0.000 0.951 569 D HN 0.394 nan 8.370 nan 0.000 0.449 570 E N 0.158 120.388 120.200 0.050 0.000 2.153 570 E HA -0.094 4.250 4.350 -0.011 0.000 0.194 570 E C 2.368 178.996 176.600 0.046 0.000 0.988 570 E CA 0.247 56.674 56.400 0.045 0.000 0.811 570 E CB -0.203 29.512 29.700 0.026 0.000 0.746 570 E HN 0.197 nan 8.360 nan 0.000 0.466 571 V N 0.635 120.583 119.914 0.056 0.000 2.548 571 V HA -0.159 3.955 4.120 -0.011 0.000 0.249 571 V C 2.456 178.590 176.094 0.067 0.000 1.055 571 V CA 0.922 63.259 62.300 0.062 0.000 1.065 571 V CB -0.276 31.599 31.823 0.087 0.000 0.681 571 V HN 0.059 nan 8.190 nan 0.000 0.462 572 V N -0.220 119.747 119.914 0.089 0.000 2.379 572 V HA -0.198 3.916 4.120 -0.011 0.000 0.245 572 V C 2.175 178.301 176.094 0.054 0.000 1.044 572 V CA 1.892 64.251 62.300 0.098 0.000 1.036 572 V CB -0.322 31.608 31.823 0.178 0.000 0.664 572 V HN 0.423 nan 8.190 nan 0.000 0.453 573 I N 0.085 120.679 120.570 0.040 0.000 2.179 573 I HA -0.244 3.920 4.170 -0.011 0.000 0.242 573 I C 2.629 178.738 176.117 -0.014 0.000 1.088 573 I CA 1.760 63.048 61.300 -0.020 0.000 1.357 573 I CB -0.283 37.703 38.000 -0.023 0.000 1.051 573 I HN 0.337 nan 8.210 nan 0.000 0.409 574 E N 1.304 121.506 120.200 0.003 0.000 2.153 574 E HA -0.189 4.154 4.350 -0.011 0.000 0.194 574 E C 2.046 178.643 176.600 -0.006 0.000 0.988 574 E CA 1.528 57.927 56.400 -0.001 0.000 0.811 574 E CB -0.159 29.546 29.700 0.007 0.000 0.746 574 E HN 0.429 nan 8.360 nan 0.000 0.466 575 A N -0.103 122.717 122.820 0.001 0.000 1.877 575 A HA -0.224 4.089 4.320 -0.011 0.000 0.216 575 A C 2.600 180.169 177.584 -0.026 0.000 1.186 575 A CA 1.601 53.633 52.037 -0.008 0.000 0.620 575 A CB -1.106 17.894 19.000 -0.000 0.000 0.822 575 A HN 0.492 nan 8.150 nan 0.000 0.443 576 C N -0.286 118.996 119.300 -0.030 0.000 2.429 576 C HA -0.098 4.355 4.460 -0.011 0.000 0.277 576 C C 2.695 177.655 174.990 -0.051 0.000 1.262 576 C CA 1.092 60.081 59.018 -0.048 0.000 1.733 576 C CB -1.517 26.192 27.740 -0.053 0.000 2.010 576 C HN 0.635 nan 8.230 nan 0.000 0.483 577 N N 1.109 119.785 118.700 -0.039 0.000 2.069 577 N HA -0.150 4.584 4.740 -0.011 0.000 0.191 577 N C 1.759 177.248 175.510 -0.035 0.000 1.031 577 N CA 1.837 54.865 53.050 -0.035 0.000 0.852 577 N CB -0.694 37.778 38.487 -0.025 0.000 1.018 577 N HN 0.790 nan 8.380 nan 0.000 0.423 578 E N 0.577 120.759 120.200 -0.030 0.000 2.268 578 E HA -0.079 4.265 4.350 -0.011 0.000 0.195 578 E C 1.365 177.942 176.600 -0.038 0.000 0.995 578 E CA 0.700 57.082 56.400 -0.029 0.000 0.836 578 E CB -0.235 29.452 29.700 -0.022 0.000 0.763 578 E HN 0.321 nan 8.360 nan 0.000 0.491 579 L N 0.371 121.565 121.223 -0.048 0.000 2.607 579 L HA 0.306 4.640 4.340 -0.011 0.000 0.228 579 L C 1.106 177.927 176.870 -0.082 0.000 1.123 579 L CA 0.210 55.013 54.840 -0.061 0.000 0.890 579 L CB 0.191 42.212 42.059 -0.064 0.000 1.103 579 L HN 0.418 nan 8.230 nan 0.000 0.468 580 G N 1.477 110.230 108.800 -0.079 0.000 2.198 580 G HA2 -0.282 3.672 3.960 -0.011 0.000 0.257 580 G HA3 -0.282 3.672 3.960 -0.011 0.000 0.257 580 G C 0.026 174.839 174.900 -0.144 0.000 1.042 580 G CA -0.007 45.035 45.100 -0.096 0.000 0.791 580 G HN 0.321 nan 8.290 nan 0.000 0.502 581 I N 0.766 121.256 120.570 -0.134 0.000 2.392 581 I HA 0.337 4.501 4.170 -0.011 0.000 0.295 581 I C 0.570 176.616 176.117 -0.118 0.000 0.985 581 I CA -0.617 60.579 61.300 -0.174 0.000 1.221 581 I CB 1.779 39.695 38.000 -0.139 0.000 1.366 581 I HN 0.020 nan 8.210 nan 0.000 0.467 582 T N 7.068 121.555 114.554 -0.111 0.000 2.771 582 T HA 0.415 4.758 4.350 -0.011 0.000 0.291 582 T C -0.501 174.199 174.700 -0.000 0.000 0.954 582 T CA -0.222 61.877 62.100 -0.001 0.000 1.045 582 T CB 0.775 69.731 68.868 0.147 0.000 0.917 582 T HN 0.204 nan 8.240 nan 0.000 0.484 583 L N 5.134 126.338 121.223 -0.033 0.000 2.341 583 L HA 0.702 5.036 4.340 -0.011 0.000 0.278 583 L C -1.463 175.366 176.870 -0.068 0.000 1.005 583 L CA -0.682 54.121 54.840 -0.062 0.000 0.818 583 L CB 1.090 43.065 42.059 -0.140 0.000 1.259 583 L HN 0.457 nan 8.230 nan 0.000 0.418 584 I N 4.560 125.123 120.570 -0.012 0.000 2.362 584 I HA 0.382 4.545 4.170 -0.011 0.000 0.289 584 I C -0.331 175.853 176.117 0.112 0.000 0.994 584 I CA -0.119 61.215 61.300 0.056 0.000 1.158 584 I CB 1.326 39.417 38.000 0.151 0.000 1.315 584 I HN 0.553 nan 8.210 nan 0.000 0.451 585 H N 3.763 122.857 119.070 0.040 0.000 2.476 585 H HA 0.566 5.116 4.556 -0.010 0.000 0.328 585 H C 0.043 175.373 175.328 0.004 0.000 1.073 585 H CA -0.567 55.489 56.048 0.013 0.000 1.229 585 H CB 1.357 31.119 29.762 0.000 0.000 1.432 585 H HN 0.688 nan 8.280 nan 0.000 0.477 586 T N 0.033 114.643 114.554 0.094 0.000 2.919 586 T HA 0.150 4.494 4.350 -0.011 0.000 0.282 586 T C 0.462 175.137 174.700 -0.042 0.000 1.020 586 T CA -1.016 61.094 62.100 0.016 0.000 0.994 586 T CB 1.582 70.448 68.868 -0.004 0.000 1.180 586 T HN 0.516 nan 8.240 nan 0.000 0.566 587 N N -0.318 118.349 118.700 -0.054 0.000 2.401 587 N HA 0.294 5.028 4.740 -0.011 0.000 0.264 587 N C -1.177 174.283 175.510 -0.083 0.000 1.238 587 N CA -0.451 52.556 53.050 -0.071 0.000 0.889 587 N CB -0.222 38.229 38.487 -0.060 0.000 1.196 587 N HN 0.558 nan 8.380 nan 0.000 0.511 588 L N 0.609 121.775 121.223 -0.095 0.000 2.345 588 L HA 0.524 4.858 4.340 -0.011 0.000 0.274 588 L C -0.439 176.340 176.870 -0.151 0.000 0.999 588 L CA -0.575 54.197 54.840 -0.112 0.000 0.849 588 L CB 0.868 42.864 42.059 -0.104 0.000 1.220 588 L HN 0.010 nan 8.230 nan 0.000 0.422 589 R N 4.018 124.404 120.500 -0.190 0.000 2.459 589 R HA 0.549 4.882 4.340 -0.011 0.000 0.281 589 R C -0.558 175.582 176.300 -0.267 0.000 1.050 589 R CA -0.421 55.498 56.100 -0.302 0.000 1.055 589 R CB 0.749 30.796 30.300 -0.422 0.000 1.045 589 R HN 0.818 nan 8.270 nan 0.000 0.495 590 L N 4.882 125.933 121.223 -0.286 0.000 3.168 590 L HA 0.314 4.648 4.340 -0.011 0.000 0.277 590 L C -0.753 176.101 176.870 -0.026 0.000 1.308 590 L CA -0.565 54.179 54.840 -0.161 0.000 0.976 590 L CB 0.129 42.102 42.059 -0.143 0.000 1.383 590 L HN 0.475 nan 8.230 nan 0.000 0.572 591 F N 0.280 120.176 119.950 -0.090 0.000 2.506 591 F HA 0.212 4.740 4.527 0.001 0.000 0.351 591 F C 0.693 176.446 175.800 -0.079 0.000 1.136 591 F CA -0.203 57.733 58.000 -0.106 0.000 1.298 591 F CB 0.123 39.086 39.000 -0.061 0.000 1.145 591 F HN 0.147 nan 8.300 nan 0.000 0.593 592 H N 2.629 121.616 119.070 -0.140 0.000 2.966 592 H HA 0.452 5.015 4.556 0.013 0.000 0.347 592 H C -1.272 173.823 175.328 -0.389 0.000 1.048 592 H CA -0.398 55.550 56.048 -0.165 0.000 1.295 592 H CB 0.672 30.366 29.762 -0.114 0.000 1.744 592 H HN 0.568 nan 8.280 nan 0.000 0.513 593 H N 0.000 118.902 119.070 -0.280 0.000 2.539 593 H HA 0.000 4.563 4.556 0.012 0.000 0.296 593 H CA 0.000 55.896 56.048 -0.253 0.000 1.023 593 H CB 0.000 29.691 29.762 -0.118 0.000 1.292 593 H HN 0.000 nan 8.280 nan 0.000 0.496