REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 2b1g_1_D 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 0.000 176.303 176.300 0.005 0.000 0.893 4 R CA 0.000 56.105 56.100 0.008 0.000 0.921 4 R CB 0.000 30.308 30.300 0.013 0.000 0.687 5 Q N 3.096 122.897 119.800 0.002 0.000 2.286 5 Q HA -0.010 4.330 4.340 -0.000 0.000 0.290 5 Q C -0.540 175.458 176.000 -0.004 0.000 1.049 5 Q CA 0.784 56.584 55.803 -0.005 0.000 0.923 5 Q CB 0.817 29.549 28.738 -0.009 0.000 1.183 5 Q HN 0.408 nan 8.270 nan 0.000 0.383 6 Q N 2.795 122.589 119.800 -0.011 0.000 2.205 6 Q HA 0.523 4.863 4.340 -0.000 0.000 0.249 6 Q C -0.652 175.331 176.000 -0.028 0.000 0.948 6 Q CA -0.522 55.274 55.803 -0.013 0.000 0.895 6 Q CB 1.241 29.972 28.738 -0.013 0.000 1.249 6 Q HN 0.573 nan 8.270 nan 0.000 0.458 7 L N 0.229 121.433 121.223 -0.032 0.000 2.319 7 L HA 0.794 5.134 4.340 -0.000 0.000 0.267 7 L C -0.694 176.136 176.870 -0.066 0.000 1.011 7 L CA -1.108 53.703 54.840 -0.049 0.000 0.818 7 L CB 1.764 43.796 42.059 -0.046 0.000 1.316 7 L HN 0.598 nan 8.230 nan 0.000 0.432 8 A N 2.337 125.105 122.820 -0.087 0.000 2.304 8 A HA 0.606 4.926 4.320 -0.000 0.000 0.314 8 A C -0.982 176.542 177.584 -0.100 0.000 1.187 8 A CA -0.393 51.579 52.037 -0.109 0.000 0.810 8 A CB 0.962 19.863 19.000 -0.164 0.000 1.183 8 A HN 0.646 nan 8.150 nan 0.000 0.487 9 L N 3.727 124.898 121.223 -0.086 0.000 2.272 9 L HA 0.544 4.884 4.340 -0.000 0.000 0.289 9 L C -1.614 175.213 176.870 -0.072 0.000 1.032 9 L CA -0.766 54.025 54.840 -0.082 0.000 0.810 9 L CB 1.022 43.029 42.059 -0.087 0.000 1.205 9 L HN 0.682 nan 8.230 nan 0.000 0.422 10 L N 4.430 125.612 121.223 -0.069 0.000 2.342 10 L HA 0.374 4.714 4.340 -0.000 0.000 0.276 10 L C -0.038 176.805 176.870 -0.046 0.000 0.997 10 L CA 0.068 54.877 54.840 -0.050 0.000 0.838 10 L CB 1.641 43.666 42.059 -0.057 0.000 1.224 10 L HN 0.399 nan 8.230 nan 0.000 0.416 11 S N 2.933 118.606 115.700 -0.044 0.000 2.539 11 S HA 0.671 5.140 4.470 -0.000 0.000 0.235 11 S C -0.651 173.912 174.600 -0.062 0.000 1.326 11 S CA -0.538 57.626 58.200 -0.060 0.000 1.183 11 S CB 0.505 63.657 63.200 -0.080 0.000 1.073 11 S HN 0.394 nan 8.310 nan 0.000 0.480 12 V N 2.187 122.077 119.914 -0.040 0.000 2.628 12 V HA 0.713 4.833 4.120 -0.000 0.000 0.306 12 V C 0.784 176.847 176.094 -0.051 0.000 1.045 12 V CA -0.524 61.760 62.300 -0.027 0.000 0.905 12 V CB 1.559 33.408 31.823 0.044 0.000 0.997 12 V HN 0.512 nan 8.190 nan 0.000 0.436 13 S N 1.012 116.673 115.700 -0.066 0.000 2.456 13 S HA 0.139 4.609 4.470 -0.000 0.000 0.224 13 S C 0.801 175.403 174.600 0.003 0.000 1.035 13 S CA 0.406 58.572 58.200 -0.056 0.000 0.940 13 S CB -0.070 63.081 63.200 -0.081 0.000 0.799 13 S HN 0.884 nan 8.310 nan 0.000 0.508 14 E N 1.860 122.065 120.200 0.009 0.000 2.134 14 E HA 0.195 4.545 4.350 -0.000 0.000 0.278 14 E C -0.825 175.791 176.600 0.027 0.000 0.959 14 E CA -0.175 56.235 56.400 0.016 0.000 0.783 14 E CB 0.866 30.571 29.700 0.007 0.000 1.095 14 E HN 0.223 nan 8.360 nan 0.000 0.399 15 K N 2.322 122.743 120.400 0.034 0.000 2.811 15 K HA 0.317 4.637 4.320 -0.000 0.000 0.217 15 K C 0.071 176.714 176.600 0.071 0.000 1.115 15 K CA -0.362 55.960 56.287 0.058 0.000 1.179 15 K CB 0.840 33.367 32.500 0.045 0.000 0.994 15 K HN 0.289 nan 8.250 nan 0.000 0.464 16 A N 0.281 123.130 122.820 0.049 0.000 2.401 16 A HA 0.500 4.820 4.320 -0.000 0.000 0.259 16 A C 1.311 178.961 177.584 0.110 0.000 1.103 16 A CA 0.461 52.518 52.037 0.034 0.000 0.789 16 A CB 0.011 18.990 19.000 -0.036 0.000 1.035 16 A HN 0.600 nan 8.150 nan 0.000 0.491 17 G N 0.992 109.872 108.800 0.133 0.000 2.205 17 G HA2 -0.349 3.611 3.960 -0.000 0.000 0.269 17 G HA3 -0.349 3.611 3.960 -0.000 0.000 0.269 17 G C 0.919 176.051 174.900 0.387 0.000 0.977 17 G CA 1.262 46.517 45.100 0.257 0.000 0.652 17 G HN 1.810 nan 8.290 nan 0.000 0.539 18 L N -0.555 120.853 121.223 0.309 0.000 2.005 18 L HA 0.048 4.388 4.340 -0.000 0.000 0.207 18 L C 2.863 179.777 176.870 0.074 0.000 1.072 18 L CA 2.214 57.175 54.840 0.201 0.000 0.744 18 L CB -1.112 41.042 42.059 0.159 0.000 0.895 18 L HN 0.461 nan 8.230 nan 0.000 0.433 19 V N -1.729 118.226 119.914 0.068 0.000 2.392 19 V HA -0.214 3.906 4.120 -0.000 0.000 0.249 19 V C 2.567 178.677 176.094 0.027 0.000 1.059 19 V CA 2.006 64.324 62.300 0.029 0.000 1.051 19 V CB -1.163 30.678 31.823 0.029 0.000 0.658 19 V HN 0.570 nan 8.190 nan 0.000 0.455 20 E N 0.373 120.613 120.200 0.066 0.000 2.076 20 E HA -0.101 4.249 4.350 -0.000 0.000 0.190 20 E C 1.793 178.451 176.600 0.097 0.000 0.979 20 E CA 1.042 57.486 56.400 0.073 0.000 0.807 20 E CB -0.542 29.214 29.700 0.093 0.000 0.761 20 E HN 0.528 nan 8.360 nan 0.000 0.454 21 F N 1.124 121.004 119.950 -0.117 0.000 2.126 21 F HA -0.071 4.456 4.527 -0.000 0.000 0.299 21 F C 2.038 177.722 175.800 -0.193 0.000 1.096 21 F CA 1.427 59.290 58.000 -0.228 0.000 1.255 21 F CB -1.003 37.621 39.000 -0.628 0.000 0.997 21 F HN 0.100 nan 8.300 nan 0.000 0.479 22 A N 0.997 123.687 122.820 -0.217 0.000 1.917 22 A HA -0.222 4.098 4.320 -0.000 0.000 0.219 22 A C 2.398 179.866 177.584 -0.194 0.000 1.182 22 A CA 1.629 53.510 52.037 -0.260 0.000 0.633 22 A CB -0.643 18.269 19.000 -0.148 0.000 0.819 22 A HN 0.346 nan 8.150 nan 0.000 0.448 23 R N -0.077 120.358 120.500 -0.107 0.000 2.096 23 R HA -0.108 4.232 4.340 -0.000 0.000 0.240 23 R C 2.476 178.724 176.300 -0.088 0.000 1.139 23 R CA 1.653 57.709 56.100 -0.072 0.000 0.952 23 R CB -1.125 29.158 30.300 -0.028 0.000 0.854 23 R HN 0.546 nan 8.270 nan 0.000 0.436 24 S N 1.339 116.981 115.700 -0.097 0.000 2.348 24 S HA -0.058 4.412 4.470 -0.000 0.000 0.221 24 S C 2.167 176.672 174.600 -0.159 0.000 1.033 24 S CA 1.058 59.203 58.200 -0.093 0.000 1.010 24 S CB -0.254 62.923 63.200 -0.039 0.000 0.891 24 S HN 0.198 nan 8.310 nan 0.000 0.442 25 L N 1.854 122.900 121.223 -0.295 0.000 2.079 25 L HA -0.164 4.176 4.340 -0.000 0.000 0.210 25 L C 2.423 179.183 176.870 -0.182 0.000 1.081 25 L CA 1.228 55.889 54.840 -0.299 0.000 0.752 25 L CB -0.590 41.195 42.059 -0.457 0.000 0.896 25 L HN 0.407 nan 8.230 nan 0.000 0.433 26 N N 0.170 118.776 118.700 -0.157 0.000 2.300 26 N HA -0.090 4.650 4.740 -0.000 0.000 0.179 26 N C 1.813 177.278 175.510 -0.076 0.000 1.016 26 N CA 0.972 53.959 53.050 -0.105 0.000 0.876 26 N CB 0.237 38.668 38.487 -0.094 0.000 0.979 26 N HN 0.304 nan 8.380 nan 0.000 0.432 27 A N 0.931 123.707 122.820 -0.073 0.000 2.066 27 A HA 0.055 4.375 4.320 -0.000 0.000 0.218 27 A C 2.058 179.614 177.584 -0.046 0.000 1.157 27 A CA 0.399 52.406 52.037 -0.050 0.000 0.670 27 A CB -0.299 18.677 19.000 -0.039 0.000 0.804 27 A HN 0.288 nan 8.150 nan 0.000 0.453 28 L N -1.486 119.700 121.223 -0.061 0.000 2.552 28 L HA 0.134 4.474 4.340 -0.000 0.000 0.227 28 L C 1.758 178.600 176.870 -0.047 0.000 1.146 28 L CA 0.680 55.489 54.840 -0.052 0.000 0.858 28 L CB -0.113 41.907 42.059 -0.064 0.000 0.969 28 L HN 0.576 nan 8.230 nan 0.000 0.451 29 G N -0.076 108.693 108.800 -0.052 0.000 2.176 29 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.232 29 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.232 29 G C 0.199 175.070 174.900 -0.049 0.000 0.986 29 G CA -0.412 44.662 45.100 -0.043 0.000 0.643 29 G HN 0.165 nan 8.290 nan 0.000 0.522 30 L N 1.222 122.405 121.223 -0.066 0.000 2.397 30 L HA 0.560 4.900 4.340 -0.000 0.000 0.271 30 L C 1.382 178.209 176.870 -0.072 0.000 1.148 30 L CA -0.068 54.729 54.840 -0.070 0.000 0.825 30 L CB 1.021 43.025 42.059 -0.093 0.000 1.117 30 L HN 0.186 nan 8.230 nan 0.000 0.456 31 G N 3.323 112.087 108.800 -0.060 0.000 2.349 31 G HA2 0.403 4.363 3.960 -0.000 0.000 0.281 31 G HA3 0.403 4.363 3.960 -0.000 0.000 0.281 31 G C -0.527 174.331 174.900 -0.071 0.000 1.182 31 G CA -0.567 44.499 45.100 -0.057 0.000 0.899 31 G HN 0.222 nan 8.290 nan 0.000 0.455 32 L N 3.629 124.807 121.223 -0.076 0.000 2.315 32 L HA 0.385 4.725 4.340 -0.000 0.000 0.283 32 L C 0.618 177.446 176.870 -0.070 0.000 1.089 32 L CA -0.498 54.290 54.840 -0.086 0.000 0.833 32 L CB 0.623 42.627 42.059 -0.090 0.000 1.170 32 L HN 0.492 nan 8.230 nan 0.000 0.442 33 I N 1.157 121.684 120.570 -0.073 0.000 2.474 33 I HA 0.952 5.122 4.170 -0.000 0.000 0.294 33 I C -0.179 175.897 176.117 -0.067 0.000 1.005 33 I CA -0.726 60.535 61.300 -0.066 0.000 1.113 33 I CB 1.956 39.916 38.000 -0.068 0.000 1.289 33 I HN 0.545 nan 8.210 nan 0.000 0.436 34 A N 3.749 126.535 122.820 -0.058 0.000 2.498 34 A HA 0.788 5.108 4.320 -0.000 0.000 0.298 34 A C -0.050 177.507 177.584 -0.046 0.000 1.075 34 A CA -0.532 51.473 52.037 -0.053 0.000 0.714 34 A CB 1.549 20.522 19.000 -0.045 0.000 1.299 34 A HN 0.922 nan 8.150 nan 0.000 0.407 35 S N 0.448 116.121 115.700 -0.045 0.000 2.612 35 S HA 0.365 4.835 4.470 -0.000 0.000 0.253 35 S C 1.438 176.025 174.600 -0.022 0.000 1.346 35 S CA 0.147 58.325 58.200 -0.036 0.000 0.976 35 S CB 0.163 63.339 63.200 -0.040 0.000 0.949 35 S HN 1.735 nan 8.310 nan 0.000 0.584 36 G N 0.036 108.830 108.800 -0.010 0.000 2.440 36 G HA2 0.041 4.001 3.960 -0.000 0.000 0.218 36 G HA3 0.041 4.001 3.960 -0.000 0.000 0.218 36 G C 1.237 176.138 174.900 0.002 0.000 1.154 36 G CA 0.645 45.745 45.100 -0.001 0.000 0.767 36 G HN 0.915 nan 8.290 nan 0.000 0.552 37 G N -0.030 108.772 108.800 0.004 0.000 2.417 37 G HA2 -0.034 3.926 3.960 -0.000 0.000 0.212 37 G HA3 -0.034 3.926 3.960 -0.000 0.000 0.212 37 G C 1.817 176.717 174.900 0.001 0.000 1.187 37 G CA 1.492 46.597 45.100 0.008 0.000 0.804 37 G HN 0.338 nan 8.290 nan 0.000 0.534 38 T N 1.908 116.456 114.554 -0.009 0.000 2.881 38 T HA 0.017 4.367 4.350 -0.000 0.000 0.270 38 T C 2.697 177.390 174.700 -0.012 0.000 1.068 38 T CA 1.372 63.465 62.100 -0.010 0.000 1.131 38 T CB -0.228 68.628 68.868 -0.020 0.000 0.871 38 T HN 0.354 nan 8.240 nan 0.000 0.479 39 A N 1.477 124.288 122.820 -0.016 0.000 1.855 39 A HA -0.019 4.300 4.320 -0.000 0.000 0.215 39 A C 1.793 179.370 177.584 -0.011 0.000 1.191 39 A CA 1.025 53.051 52.037 -0.018 0.000 0.613 39 A CB -0.869 18.119 19.000 -0.020 0.000 0.829 39 A HN 0.430 nan 8.150 nan 0.000 0.442 40 T N 0.605 115.156 114.554 -0.006 0.000 3.462 40 T HA 0.490 4.840 4.350 -0.000 0.000 0.257 40 T C 0.536 175.237 174.700 0.001 0.000 1.015 40 T CA 0.593 62.692 62.100 -0.002 0.000 1.135 40 T CB 0.100 68.969 68.868 0.002 0.000 1.061 40 T HN 0.882 nan 8.240 nan 0.000 0.772 41 A N 1.883 124.703 122.820 -0.001 0.000 2.127 41 A HA 0.150 4.470 4.320 -0.000 0.000 0.175 41 A C 1.259 178.843 177.584 -0.000 0.000 2.115 41 A CA -0.312 51.727 52.037 0.003 0.000 1.590 41 A CB -0.510 18.495 19.000 0.007 0.000 1.457 41 A HN 0.569 nan 8.150 nan 0.000 0.310 42 L N 0.146 121.364 121.223 -0.007 0.000 2.354 42 L HA 0.191 4.531 4.340 -0.000 0.000 0.212 42 L C 2.424 179.285 176.870 -0.016 0.000 1.091 42 L CA 0.620 55.451 54.840 -0.015 0.000 0.828 42 L CB -0.208 41.835 42.059 -0.026 0.000 0.973 42 L HN 0.318 nan 8.230 nan 0.000 0.461 43 R N 0.206 120.698 120.500 -0.014 0.000 2.115 43 R HA -0.114 4.226 4.340 -0.000 0.000 0.230 43 R C 1.202 177.497 176.300 -0.009 0.000 1.111 43 R CA 1.224 57.316 56.100 -0.013 0.000 0.976 43 R CB -0.205 30.088 30.300 -0.011 0.000 0.870 43 R HN 0.310 nan 8.270 nan 0.000 0.445 44 D N 0.086 120.483 120.400 -0.005 0.000 2.363 44 D HA -0.013 4.627 4.640 -0.000 0.000 0.220 44 D C 1.196 177.495 176.300 -0.002 0.000 0.994 44 D CA 0.606 54.605 54.000 -0.002 0.000 0.890 44 D CB 0.213 41.013 40.800 0.001 0.000 0.906 44 D HN 0.214 nan 8.370 nan 0.000 0.530 45 A N -0.186 122.632 122.820 -0.004 0.000 2.195 45 A HA 0.469 4.789 4.320 -0.000 0.000 0.210 45 A C 1.627 179.207 177.584 -0.007 0.000 1.165 45 A CA 0.708 52.743 52.037 -0.003 0.000 0.806 45 A CB -0.007 18.991 19.000 -0.003 0.000 0.847 45 A HN 0.191 nan 8.150 nan 0.000 0.482 46 G N -0.831 107.963 108.800 -0.009 0.000 2.203 46 G HA2 -0.147 3.813 3.960 -0.000 0.000 0.231 46 G HA3 -0.147 3.813 3.960 -0.000 0.000 0.231 46 G C -0.260 174.630 174.900 -0.016 0.000 1.058 46 G CA 0.188 45.281 45.100 -0.011 0.000 0.781 46 G HN 0.416 nan 8.290 nan 0.000 0.496 47 L N 0.540 121.751 121.223 -0.021 0.000 2.342 47 L HA 0.587 4.927 4.340 -0.000 0.000 0.271 47 L C -1.806 175.046 176.870 -0.030 0.000 1.008 47 L CA -2.506 52.316 54.840 -0.029 0.000 0.818 47 L CB 2.285 44.322 42.059 -0.036 0.000 1.296 47 L HN -0.041 nan 8.230 nan 0.000 0.427 48 P HA 0.129 nan 4.420 nan 0.000 0.273 48 P C -1.046 176.230 177.300 -0.040 0.000 1.428 48 P CA -0.108 62.972 63.100 -0.033 0.000 0.995 48 P CB 0.309 31.989 31.700 -0.033 0.000 1.286 49 V N 2.815 122.706 119.914 -0.037 0.000 2.487 49 V HA 0.538 4.658 4.120 -0.000 0.000 0.298 49 V C 0.441 176.513 176.094 -0.035 0.000 1.028 49 V CA -1.079 61.197 62.300 -0.041 0.000 0.860 49 V CB 2.132 33.930 31.823 -0.041 0.000 0.991 49 V HN 0.264 nan 8.190 nan 0.000 0.427 50 R N 1.769 122.246 120.500 -0.039 0.000 2.532 50 R HA 0.455 4.795 4.340 -0.000 0.000 0.272 50 R C -0.557 175.721 176.300 -0.037 0.000 1.032 50 R CA -0.757 55.322 56.100 -0.035 0.000 1.089 50 R CB 1.053 31.332 30.300 -0.036 0.000 1.098 50 R HN 0.808 nan 8.270 nan 0.000 0.526 51 D N 0.361 120.741 120.400 -0.033 0.000 2.294 51 D HA 0.030 4.670 4.640 -0.000 0.000 0.250 51 D C 0.697 176.971 176.300 -0.043 0.000 1.058 51 D CA -0.200 53.780 54.000 -0.033 0.000 0.950 51 D CB 2.195 42.980 40.800 -0.025 0.000 1.158 51 D HN 0.117 nan 8.370 nan 0.000 0.453 52 V N 2.494 122.380 119.914 -0.046 0.000 2.626 52 V HA -0.173 3.947 4.120 -0.000 0.000 0.252 52 V C 2.086 178.141 176.094 -0.064 0.000 1.067 52 V CA 1.728 63.991 62.300 -0.061 0.000 1.081 52 V CB -0.070 31.717 31.823 -0.059 0.000 0.686 52 V HN 0.521 nan 8.190 nan 0.000 0.468 53 S N 0.014 115.690 115.700 -0.040 0.000 2.382 53 S HA -0.213 4.257 4.470 -0.000 0.000 0.228 53 S C 1.457 176.030 174.600 -0.046 0.000 1.027 53 S CA 1.733 59.914 58.200 -0.032 0.000 0.991 53 S CB -0.407 62.786 63.200 -0.012 0.000 0.823 53 S HN 0.716 nan 8.310 nan 0.000 0.469 54 D N 0.283 120.658 120.400 -0.042 0.000 2.378 54 D HA 0.039 4.679 4.640 -0.000 0.000 0.222 54 D C 1.422 177.699 176.300 -0.038 0.000 0.980 54 D CA 0.298 54.277 54.000 -0.035 0.000 0.907 54 D CB 0.115 40.898 40.800 -0.028 0.000 0.899 54 D HN 0.250 nan 8.370 nan 0.000 0.527 55 L N -1.132 120.052 121.223 -0.065 0.000 2.624 55 L HA 0.120 4.460 4.340 -0.000 0.000 0.222 55 L C 2.030 178.823 176.870 -0.127 0.000 1.046 55 L CA 0.812 55.603 54.840 -0.081 0.000 0.872 55 L CB -0.302 41.692 42.059 -0.108 0.000 1.190 55 L HN 0.021 nan 8.230 nan 0.000 0.487 56 T N -3.531 110.908 114.554 -0.193 0.000 3.009 56 T HA 0.237 4.587 4.350 -0.000 0.000 0.258 56 T C 1.519 176.098 174.700 -0.201 0.000 1.063 56 T CA 0.578 62.439 62.100 -0.398 0.000 1.139 56 T CB -0.241 68.250 68.868 -0.629 0.000 0.890 56 T HN 0.678 nan 8.240 nan 0.000 0.471 57 G N 0.817 109.555 108.800 -0.104 0.000 2.137 57 G HA2 -0.158 3.802 3.960 -0.000 0.000 0.237 57 G HA3 -0.158 3.802 3.960 -0.000 0.000 0.237 57 G C -0.175 174.589 174.900 -0.226 0.000 1.002 57 G CA -0.086 44.940 45.100 -0.124 0.000 0.702 57 G HN 0.565 nan 8.290 nan 0.000 0.515 58 F N 1.160 121.027 119.950 -0.138 0.000 2.551 58 F HA 0.603 5.130 4.527 -0.000 0.000 0.316 58 F C -1.660 174.105 175.800 -0.058 0.000 1.089 58 F CA -2.162 55.787 58.000 -0.084 0.000 0.915 58 F CB 2.349 41.292 39.000 -0.095 0.000 1.186 58 F HN -0.104 nan 8.300 nan 0.000 0.456 59 P HA 0.056 nan 4.420 nan 0.000 0.272 59 P C -0.530 176.836 177.300 0.110 0.000 1.230 59 P CA -0.162 63.000 63.100 0.103 0.000 0.788 59 P CB 0.720 32.470 31.700 0.084 0.000 0.949 60 E N 1.261 121.501 120.200 0.067 0.000 2.379 60 E HA 0.030 4.380 4.350 -0.000 0.000 0.209 60 E C 0.951 177.586 176.600 0.058 0.000 1.284 60 E CA -0.199 56.234 56.400 0.055 0.000 1.333 60 E CB -0.445 29.280 29.700 0.042 0.000 1.307 60 E HN 0.478 nan 8.360 nan 0.000 0.441 61 M N -0.256 119.387 119.600 0.071 0.000 2.162 61 M HA -0.132 4.348 4.480 -0.000 0.000 0.286 61 M C 0.215 176.547 176.300 0.053 0.000 1.006 61 M CA 0.873 56.213 55.300 0.066 0.000 1.047 61 M CB 0.378 33.030 32.600 0.087 0.000 1.341 61 M HN 0.180 nan 8.290 nan 0.000 0.407 62 L N -0.792 120.460 121.223 0.048 0.000 7.386 62 L HA -0.206 4.134 4.340 -0.000 0.000 0.177 62 L C 0.780 177.674 176.870 0.041 0.000 1.147 62 L CA 0.797 55.662 54.840 0.042 0.000 1.322 62 L CB -1.685 40.398 42.059 0.040 0.000 2.710 62 L HN 1.120 nan 8.230 nan 0.000 1.122 63 G N 0.033 108.856 108.800 0.038 0.000 3.455 63 G HA2 0.444 4.404 3.960 -0.000 0.000 0.250 63 G HA3 0.444 4.404 3.960 -0.000 0.000 0.250 63 G C 0.965 175.894 174.900 0.049 0.000 1.071 63 G CA 0.752 45.874 45.100 0.036 0.000 1.812 63 G HN 1.591 nan 8.290 nan 0.000 0.643 64 G N 0.497 109.333 108.800 0.061 0.000 2.305 64 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.287 64 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.287 64 G C 1.271 176.235 174.900 0.107 0.000 1.036 64 G CA 0.271 45.423 45.100 0.086 0.000 0.887 64 G HN 0.522 nan 8.290 nan 0.000 0.505 65 R N -1.368 119.180 120.500 0.080 0.000 2.189 65 R HA 0.222 4.562 4.340 -0.000 0.000 0.203 65 R C 0.806 177.152 176.300 0.077 0.000 1.012 65 R CA 0.550 56.699 56.100 0.082 0.000 1.015 65 R CB 0.406 30.741 30.300 0.057 0.000 0.938 65 R HN 0.433 nan 8.270 nan 0.000 0.472 66 V N 1.790 121.738 119.914 0.057 0.000 2.444 66 V HA 0.272 4.392 4.120 -0.000 0.000 0.294 66 V C 0.293 176.407 176.094 0.034 0.000 1.022 66 V CA -0.330 61.992 62.300 0.036 0.000 0.850 66 V CB 2.192 34.017 31.823 0.003 0.000 0.992 66 V HN 0.117 nan 8.190 nan 0.000 0.426 67 K N 1.794 122.213 120.400 0.031 0.000 2.606 67 K HA 0.135 4.455 4.320 -0.000 0.000 0.199 67 K C 1.197 177.796 176.600 -0.002 0.000 1.403 67 K CA 0.853 57.151 56.287 0.018 0.000 1.011 67 K CB 0.868 33.380 32.500 0.021 0.000 1.623 67 K HN 0.712 nan 8.250 nan 0.000 0.512 68 T N -1.076 113.483 114.554 0.008 0.000 3.145 68 T HA 0.339 4.689 4.350 -0.000 0.000 0.281 68 T C 0.396 175.131 174.700 0.057 0.000 1.003 68 T CA -0.336 61.756 62.100 -0.014 0.000 0.901 68 T CB 0.030 68.864 68.868 -0.057 0.000 1.112 68 T HN -0.087 nan 8.240 nan 0.000 0.535 69 L N 3.077 124.360 121.223 0.100 0.000 2.583 69 L HA 0.418 4.758 4.340 -0.000 0.000 0.239 69 L C 0.166 177.116 176.870 0.134 0.000 1.347 69 L CA -0.317 54.618 54.840 0.159 0.000 1.246 69 L CB -0.464 41.640 42.059 0.075 0.000 1.496 69 L HN 0.432 nan 8.230 nan 0.000 0.413 70 H N 1.189 120.296 119.070 0.062 0.000 2.894 70 H HA 0.262 4.818 4.556 -0.000 0.000 0.367 70 H C -2.165 173.182 175.328 0.032 0.000 1.144 70 H CA -1.540 54.496 56.048 -0.020 0.000 1.180 70 H CB 3.123 32.830 29.762 -0.092 0.000 1.758 70 H HN -0.075 nan 8.280 nan 0.000 0.541 71 P HA -0.164 nan 4.420 nan 0.000 0.217 71 P C 1.122 178.386 177.300 -0.059 0.000 1.148 71 P CA 1.754 64.798 63.100 -0.093 0.000 0.828 71 P CB 0.035 31.687 31.700 -0.080 0.000 0.783 72 A N -0.061 122.635 122.820 -0.207 0.000 1.883 72 A HA -0.148 4.172 4.320 -0.000 0.000 0.217 72 A C 2.497 179.881 177.584 -0.334 0.000 1.186 72 A CA 2.091 53.658 52.037 -0.782 0.000 0.624 72 A CB -1.599 16.965 19.000 -0.725 0.000 0.822 72 A HN 0.071 nan 8.150 nan 0.000 0.444 73 V N -0.321 119.497 119.914 -0.160 0.000 2.223 73 V HA -0.256 3.864 4.120 -0.000 0.000 0.244 73 V C 2.482 178.453 176.094 -0.205 0.000 1.045 73 V CA 2.155 64.332 62.300 -0.205 0.000 1.000 73 V CB -1.067 30.599 31.823 -0.263 0.000 0.635 73 V HN 0.659 nan 8.190 nan 0.000 0.445 74 H N -0.236 118.817 119.070 -0.028 0.000 2.428 74 H HA 0.023 4.578 4.556 -0.000 0.000 0.296 74 H C 2.324 177.661 175.328 0.016 0.000 1.062 74 H CA 1.519 57.563 56.048 -0.006 0.000 1.350 74 H CB -0.235 29.524 29.762 -0.006 0.000 1.403 74 H HN 0.464 nan 8.280 nan 0.000 0.533 75 A N 0.885 123.786 122.820 0.134 0.000 1.877 75 A HA -0.092 4.228 4.320 -0.000 0.000 0.216 75 A C 2.837 180.484 177.584 0.105 0.000 1.186 75 A CA 1.492 53.614 52.037 0.140 0.000 0.620 75 A CB -1.194 17.946 19.000 0.232 0.000 0.822 75 A HN 0.446 nan 8.150 nan 0.000 0.443 76 G N 0.178 109.018 108.800 0.067 0.000 2.503 76 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.221 76 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.221 76 G C 1.463 176.376 174.900 0.021 0.000 1.131 76 G CA 1.382 46.504 45.100 0.036 0.000 0.756 76 G HN 0.537 nan 8.290 nan 0.000 0.572 77 I N -0.440 120.137 120.570 0.011 0.000 2.480 77 I HA 0.094 4.264 4.170 -0.000 0.000 0.251 77 I C 2.350 178.494 176.117 0.046 0.000 1.124 77 I CA 0.521 61.830 61.300 0.016 0.000 1.444 77 I CB -0.066 37.935 38.000 0.001 0.000 1.098 77 I HN 0.077 nan 8.210 nan 0.000 0.428 78 L N 0.678 121.942 121.223 0.069 0.000 2.529 78 L HA 0.271 4.611 4.340 -0.000 0.000 0.223 78 L C 1.299 178.201 176.870 0.054 0.000 1.113 78 L CA -0.380 54.502 54.840 0.070 0.000 0.861 78 L CB -0.086 42.026 42.059 0.088 0.000 1.012 78 L HN 0.102 nan 8.230 nan 0.000 0.461 79 A N 1.031 123.885 122.820 0.056 0.000 2.462 79 A HA 0.353 4.673 4.320 -0.000 0.000 0.243 79 A C 0.180 177.783 177.584 0.031 0.000 1.076 79 A CA -0.008 52.057 52.037 0.047 0.000 0.773 79 A CB 0.187 19.222 19.000 0.057 0.000 1.010 79 A HN 0.277 nan 8.150 nan 0.000 0.493 80 R N 0.566 121.080 120.500 0.023 0.000 2.674 80 R HA 0.237 4.577 4.340 -0.000 0.000 0.266 80 R C 0.831 177.139 176.300 0.012 0.000 1.016 80 R CA -0.033 56.074 56.100 0.012 0.000 1.062 80 R CB 0.620 30.924 30.300 0.006 0.000 1.142 80 R HN 0.930 nan 8.270 nan 0.000 0.517 81 N N 1.215 119.919 118.700 0.007 0.000 2.550 81 N HA -0.058 4.682 4.740 -0.000 0.000 0.186 81 N C 0.489 176.003 175.510 0.006 0.000 1.110 81 N CA 0.152 53.207 53.050 0.008 0.000 0.912 81 N CB -0.234 38.257 38.487 0.005 0.000 0.968 81 N HN 0.567 nan 8.380 nan 0.000 0.448 82 I N -2.960 117.613 120.570 0.006 0.000 2.948 82 I HA 0.159 4.329 4.170 -0.000 0.000 0.290 82 I C -1.367 174.753 176.117 0.005 0.000 1.226 82 I CA -1.513 59.789 61.300 0.004 0.000 1.413 82 I CB 0.304 38.307 38.000 0.004 0.000 1.352 82 I HN -0.132 nan 8.210 nan 0.000 0.597 83 P HA -0.150 nan 4.420 nan 0.000 0.218 83 P C 1.159 178.460 177.300 0.001 0.000 1.148 83 P CA 1.392 64.493 63.100 0.002 0.000 0.822 83 P CB 0.104 31.805 31.700 0.001 0.000 0.784 84 E N 0.050 120.251 120.200 0.002 0.000 2.114 84 E HA -0.193 4.157 4.350 -0.000 0.000 0.199 84 E C 1.622 178.224 176.600 0.003 0.000 1.008 84 E CA 1.682 58.083 56.400 0.002 0.000 0.810 84 E CB -0.666 29.036 29.700 0.003 0.000 0.739 84 E HN 0.314 nan 8.360 nan 0.000 0.456 85 D N -0.854 119.550 120.400 0.007 0.000 2.240 85 D HA -0.003 4.636 4.640 -0.000 0.000 0.206 85 D C 1.322 177.628 176.300 0.009 0.000 0.963 85 D CA 0.323 54.330 54.000 0.011 0.000 0.863 85 D CB -0.314 40.498 40.800 0.019 0.000 0.973 85 D HN 0.071 nan 8.370 nan 0.000 0.501 86 N N 1.277 119.981 118.700 0.007 0.000 2.192 86 N HA -0.151 4.589 4.740 -0.000 0.000 0.188 86 N C 1.620 177.128 175.510 -0.004 0.000 1.013 86 N CA 1.248 54.301 53.050 0.005 0.000 0.863 86 N CB -0.316 38.174 38.487 0.004 0.000 0.990 86 N HN 0.157 nan 8.380 nan 0.000 0.430 87 A N 0.700 123.515 122.820 -0.007 0.000 1.929 87 A HA -0.101 4.219 4.320 -0.000 0.000 0.216 87 A C 1.726 179.293 177.584 -0.027 0.000 1.176 87 A CA 1.429 53.456 52.037 -0.016 0.000 0.628 87 A CB -0.292 18.700 19.000 -0.013 0.000 0.816 87 A HN 0.106 nan 8.150 nan 0.000 0.444 88 D N -0.266 120.120 120.400 -0.024 0.000 2.084 88 D HA -0.120 4.520 4.640 -0.000 0.000 0.196 88 D C 2.057 178.314 176.300 -0.071 0.000 0.985 88 D CA 1.263 55.239 54.000 -0.041 0.000 0.826 88 D CB -0.348 40.442 40.800 -0.017 0.000 0.978 88 D HN 0.228 nan 8.370 nan 0.000 0.456 89 M N 0.627 120.207 119.600 -0.034 0.000 2.108 89 M HA -0.136 4.344 4.480 -0.000 0.000 0.261 89 M C 1.898 178.167 176.300 -0.051 0.000 1.066 89 M CA 1.099 56.385 55.300 -0.024 0.000 1.107 89 M CB -1.412 31.211 32.600 0.039 0.000 1.356 89 M HN 0.045 nan 8.290 nan 0.000 0.406 90 N N 0.986 119.664 118.700 -0.036 0.000 2.084 90 N HA -0.191 4.549 4.740 -0.000 0.000 0.190 90 N C 1.632 177.103 175.510 -0.066 0.000 1.030 90 N CA 1.819 54.847 53.050 -0.036 0.000 0.849 90 N CB -0.234 38.240 38.487 -0.023 0.000 1.012 90 N HN 0.397 nan 8.380 nan 0.000 0.423 91 K N -0.497 119.854 120.400 -0.081 0.000 2.057 91 K HA -0.115 4.205 4.320 -0.000 0.000 0.207 91 K C 1.334 177.836 176.600 -0.163 0.000 1.049 91 K CA 1.166 57.394 56.287 -0.098 0.000 0.931 91 K CB 0.031 32.481 32.500 -0.084 0.000 0.714 91 K HN 0.249 nan 8.250 nan 0.000 0.440 92 Q N 0.382 120.016 119.800 -0.277 0.000 2.432 92 Q HA -0.063 4.277 4.340 -0.000 0.000 0.205 92 Q C 0.045 175.734 176.000 -0.518 0.000 0.945 92 Q CA 0.591 56.065 55.803 -0.548 0.000 0.924 92 Q CB 0.067 28.190 28.738 -1.026 0.000 1.016 92 Q HN 0.368 nan 8.270 nan 0.000 0.503 93 D N -0.779 119.483 120.400 -0.230 0.000 2.945 93 D HA -0.175 4.465 4.640 -0.000 0.000 0.225 93 D C -1.299 175.090 176.300 0.148 0.000 1.158 93 D CA 0.306 54.282 54.000 -0.040 0.000 0.805 93 D CB -1.001 39.797 40.800 -0.003 0.000 1.098 93 D HN 0.034 nan 8.370 nan 0.000 0.426 94 F N 0.638 120.605 119.950 0.028 0.000 2.396 94 F HA 0.440 4.967 4.527 0.000 0.000 0.343 94 F C 1.460 177.270 175.800 0.018 0.000 1.104 94 F CA -1.119 56.900 58.000 0.030 0.000 1.161 94 F CB 1.175 40.200 39.000 0.042 0.000 1.146 94 F HN -0.295 nan 8.300 nan 0.000 0.522 95 S N 2.638 118.457 115.700 0.199 0.000 2.632 95 S HA 0.509 4.979 4.470 -0.000 0.000 0.267 95 S C -0.347 174.300 174.600 0.079 0.000 1.276 95 S CA -0.604 57.656 58.200 0.100 0.000 0.998 95 S CB 0.936 64.169 63.200 0.054 0.000 0.953 95 S HN 0.286 nan 8.310 nan 0.000 0.547 96 L N 1.950 123.203 121.223 0.049 0.000 2.326 96 L HA 0.349 4.689 4.340 -0.000 0.000 0.278 96 L C -0.453 176.421 176.870 0.008 0.000 1.092 96 L CA -0.043 54.817 54.840 0.033 0.000 0.810 96 L CB 1.079 43.155 42.059 0.028 0.000 1.153 96 L HN 0.355 nan 8.230 nan 0.000 0.439 97 V N 4.859 124.772 119.914 -0.003 0.000 2.385 97 V HA 0.238 4.358 4.120 -0.000 0.000 0.269 97 V C 1.185 177.269 176.094 -0.016 0.000 1.043 97 V CA -0.335 61.951 62.300 -0.023 0.000 0.906 97 V CB 0.985 32.783 31.823 -0.041 0.000 0.995 97 V HN 0.776 nan 8.190 nan 0.000 0.467 98 R N 4.471 124.958 120.500 -0.022 0.000 2.140 98 R HA 0.199 4.539 4.340 -0.000 0.000 0.213 98 R C 0.343 176.636 176.300 -0.012 0.000 1.059 98 R CA 0.674 56.765 56.100 -0.014 0.000 1.000 98 R CB 0.500 30.789 30.300 -0.018 0.000 0.910 98 R HN 0.523 nan 8.270 nan 0.000 0.455 99 V N 0.755 120.651 119.914 -0.029 0.000 2.709 99 V HA 0.483 4.603 4.120 -0.000 0.000 0.308 99 V C -1.508 174.570 176.094 -0.027 0.000 1.062 99 V CA -0.836 61.454 62.300 -0.018 0.000 0.901 99 V CB 2.271 34.077 31.823 -0.027 0.000 1.003 99 V HN -0.135 nan 8.190 nan 0.000 0.425 100 V N 7.019 126.931 119.914 -0.003 0.000 2.350 100 V HA 0.456 4.576 4.120 -0.000 0.000 0.285 100 V C -0.328 175.779 176.094 0.022 0.000 1.014 100 V CA -0.514 61.777 62.300 -0.014 0.000 0.831 100 V CB 1.753 33.559 31.823 -0.028 0.000 1.000 100 V HN 0.669 nan 8.190 nan 0.000 0.433 101 V N 4.562 124.491 119.914 0.024 0.000 2.294 101 V HA 0.399 4.519 4.120 -0.000 0.000 0.272 101 V C -0.109 176.013 176.094 0.047 0.000 1.027 101 V CA -0.314 62.035 62.300 0.083 0.000 0.823 101 V CB 1.137 33.020 31.823 0.101 0.000 1.030 101 V HN 0.954 nan 8.190 nan 0.000 0.457 102 C N 5.654 124.977 119.300 0.038 0.000 2.535 102 C HA 0.692 5.152 4.460 -0.000 0.000 0.319 102 C C -0.216 174.769 174.990 -0.008 0.000 1.171 102 C CA -0.541 58.475 59.018 -0.004 0.000 1.394 102 C CB 1.116 28.834 27.740 -0.037 0.000 1.990 102 C HN 0.935 nan 8.230 nan 0.000 0.466 103 N N 2.679 121.367 118.700 -0.020 0.000 2.404 103 N HA 0.780 5.520 4.740 -0.000 0.000 0.297 103 N C -1.171 174.306 175.510 -0.056 0.000 1.163 103 N CA -0.450 52.592 53.050 -0.014 0.000 0.864 103 N CB 1.244 39.726 38.487 -0.008 0.000 1.247 103 N HN 0.603 nan 8.380 nan 0.000 0.510 104 L N 1.019 122.229 121.223 -0.022 0.000 2.334 104 L HA 0.438 4.778 4.340 -0.000 0.000 0.272 104 L C -0.342 176.532 176.870 0.007 0.000 1.020 104 L CA -0.955 53.810 54.840 -0.126 0.000 0.812 104 L CB 0.793 42.620 42.059 -0.386 0.000 1.264 104 L HN 0.528 nan 8.230 nan 0.000 0.439 105 Y N 2.707 123.040 120.300 0.055 0.000 2.852 105 Y HA -0.071 4.478 4.550 -0.000 0.000 0.343 105 Y C -1.437 174.595 175.900 0.219 0.000 1.280 105 Y CA -1.178 57.001 58.100 0.131 0.000 1.604 105 Y CB 0.008 38.566 38.460 0.164 0.000 1.216 105 Y HN 0.284 nan 8.280 nan 0.000 0.541 106 P HA -0.120 nan 4.420 nan 0.000 0.258 106 P C 0.322 177.725 177.300 0.172 0.000 1.563 106 P CA 0.524 63.756 63.100 0.220 0.000 1.241 106 P CB -0.401 31.371 31.700 0.119 0.000 1.811 107 F N 3.708 123.719 119.950 0.101 0.000 2.113 107 F HA -0.193 4.334 4.527 -0.000 0.000 0.297 107 F C 2.021 177.711 175.800 -0.182 0.000 1.103 107 F CA 1.514 59.442 58.000 -0.119 0.000 1.248 107 F CB -0.207 38.579 39.000 -0.358 0.000 0.999 107 F HN -0.067 nan 8.300 nan 0.000 0.475 108 V N 0.525 120.453 119.914 0.024 0.000 2.358 108 V HA -0.282 3.838 4.120 -0.000 0.000 0.246 108 V C 2.428 178.442 176.094 -0.133 0.000 1.047 108 V CA 2.130 64.396 62.300 -0.056 0.000 1.035 108 V CB -0.702 31.141 31.823 0.033 0.000 0.658 108 V HN 0.265 nan 8.190 nan 0.000 0.452 109 K N -0.333 120.019 120.400 -0.080 0.000 2.026 109 K HA -0.225 4.095 4.320 -0.000 0.000 0.208 109 K C 2.393 178.895 176.600 -0.164 0.000 1.048 109 K CA 2.000 58.235 56.287 -0.087 0.000 0.929 109 K CB -0.403 32.077 32.500 -0.034 0.000 0.713 109 K HN 0.465 nan 8.250 nan 0.000 0.439 110 T N 0.209 114.621 114.554 -0.236 0.000 2.684 110 T HA -0.122 4.228 4.350 -0.000 0.000 0.267 110 T C 1.695 176.147 174.700 -0.414 0.000 1.036 110 T CA 1.853 63.763 62.100 -0.316 0.000 1.148 110 T CB -0.187 68.473 68.868 -0.347 0.000 0.863 110 T HN 0.218 nan 8.240 nan 0.000 0.436 111 V N 0.884 120.424 119.914 -0.623 0.000 3.461 111 V HA 0.174 4.294 4.120 -0.000 0.000 0.267 111 V C 2.253 178.167 176.094 -0.300 0.000 1.186 111 V CA 1.414 63.349 62.300 -0.608 0.000 1.154 111 V CB -0.758 30.438 31.823 -1.046 0.000 0.802 111 V HN 0.594 nan 8.190 nan 0.000 0.474 112 S N 0.087 115.651 115.700 -0.227 0.000 2.527 112 S HA 0.059 4.529 4.470 -0.000 0.000 0.222 112 S C 1.278 175.819 174.600 -0.098 0.000 0.985 112 S CA 0.626 58.750 58.200 -0.126 0.000 0.921 112 S CB -0.483 62.658 63.200 -0.098 0.000 0.772 112 S HN 0.757 nan 8.310 nan 0.000 0.529 113 S N 2.740 118.369 115.700 -0.119 0.000 2.560 113 S HA 0.255 4.725 4.470 -0.000 0.000 0.284 113 S C -1.290 173.273 174.600 -0.062 0.000 1.327 113 S CA -1.065 57.083 58.200 -0.085 0.000 1.055 113 S CB 0.621 63.764 63.200 -0.096 0.000 0.868 113 S HN 0.152 nan 8.310 nan 0.000 0.506 114 P HA 0.065 nan 4.420 nan 0.000 0.211 114 P C 0.810 178.096 177.300 -0.024 0.000 1.179 114 P CA 1.147 64.231 63.100 -0.027 0.000 0.910 114 P CB -0.247 31.441 31.700 -0.020 0.000 0.785 115 G N 0.295 109.080 108.800 -0.025 0.000 3.717 115 G HA2 0.308 4.268 3.960 -0.000 0.000 0.258 115 G HA3 0.308 4.268 3.960 -0.000 0.000 0.258 115 G C -0.607 174.276 174.900 -0.027 0.000 1.088 115 G CA -0.041 45.047 45.100 -0.019 0.000 1.737 115 G HN 0.226 nan 8.290 nan 0.000 0.648 116 V N 1.778 121.672 119.914 -0.034 0.000 2.435 116 V HA 0.734 4.854 4.120 -0.000 0.000 0.290 116 V C 0.530 176.621 176.094 -0.005 0.000 1.030 116 V CA -0.281 61.990 62.300 -0.048 0.000 0.881 116 V CB 1.885 33.639 31.823 -0.115 0.000 0.983 116 V HN 0.555 nan 8.190 nan 0.000 0.445 117 T N 2.924 117.481 114.554 0.005 0.000 2.952 117 T HA 0.453 4.803 4.350 -0.000 0.000 0.286 117 T C 1.037 175.797 174.700 0.100 0.000 1.024 117 T CA -0.268 61.863 62.100 0.051 0.000 1.029 117 T CB 1.625 70.518 68.868 0.041 0.000 1.094 117 T HN 0.286 nan 8.240 nan 0.000 0.515 118 V N 1.916 121.926 119.914 0.160 0.000 2.287 118 V HA -0.052 4.068 4.120 -0.000 0.000 0.248 118 V C -0.558 175.667 176.094 0.219 0.000 1.053 118 V CA 1.667 64.123 62.300 0.260 0.000 1.027 118 V CB -1.747 30.233 31.823 0.260 0.000 0.646 118 V HN 0.750 nan 8.190 nan 0.000 0.447 119 P HA -0.178 nan 4.420 nan 0.000 0.216 119 P C 1.618 178.956 177.300 0.064 0.000 1.153 119 P CA 1.531 64.692 63.100 0.103 0.000 0.858 119 P CB 0.024 31.765 31.700 0.069 0.000 0.789 120 E N -0.753 119.465 120.200 0.030 0.000 2.051 120 E HA -0.143 4.207 4.350 -0.000 0.000 0.192 120 E C 2.117 178.679 176.600 -0.063 0.000 0.991 120 E CA 1.223 57.609 56.400 -0.023 0.000 0.799 120 E CB -0.552 29.122 29.700 -0.044 0.000 0.748 120 E HN 0.119 nan 8.360 nan 0.000 0.449 121 A N 0.739 123.510 122.820 -0.081 0.000 1.845 121 A HA -0.161 4.159 4.320 -0.000 0.000 0.215 121 A C 2.441 180.023 177.584 -0.003 0.000 1.195 121 A CA 1.347 53.244 52.037 -0.234 0.000 0.616 121 A CB -0.990 17.756 19.000 -0.423 0.000 0.832 121 A HN 0.213 nan 8.150 nan 0.000 0.443 122 V N 0.112 120.134 119.914 0.181 0.000 2.392 122 V HA -0.242 3.878 4.120 -0.000 0.000 0.249 122 V C 2.520 178.708 176.094 0.157 0.000 1.059 122 V CA 2.848 65.326 62.300 0.296 0.000 1.051 122 V CB -0.490 31.555 31.823 0.371 0.000 0.658 122 V HN 0.697 nan 8.190 nan 0.000 0.455 123 E N -0.000 120.238 120.200 0.063 0.000 2.204 123 E HA -0.147 4.203 4.350 -0.000 0.000 0.194 123 E C 2.073 178.602 176.600 -0.119 0.000 0.989 123 E CA 1.011 57.400 56.400 -0.019 0.000 0.824 123 E CB -0.145 29.533 29.700 -0.037 0.000 0.756 123 E HN 0.412 nan 8.360 nan 0.000 0.477 124 K N -0.004 120.347 120.400 -0.082 0.000 2.487 124 K HA 0.103 4.423 4.320 -0.000 0.000 0.192 124 K C 0.123 176.757 176.600 0.057 0.000 1.027 124 K CA -0.037 56.169 56.287 -0.135 0.000 1.054 124 K CB 0.036 32.493 32.500 -0.072 0.000 0.824 124 K HN 0.235 nan 8.250 nan 0.000 0.510 125 I N 2.635 123.298 120.570 0.154 0.000 2.581 125 I HA -0.080 4.090 4.170 -0.000 0.000 0.285 125 I C 0.703 176.992 176.117 0.287 0.000 1.129 125 I CA 0.156 61.590 61.300 0.224 0.000 1.397 125 I CB 0.129 38.212 38.000 0.138 0.000 1.399 125 I HN -0.060 nan 8.210 nan 0.000 0.537 126 D N 6.937 127.637 120.400 0.499 0.000 2.390 126 D HA 0.070 4.710 4.640 -0.000 0.000 0.249 126 D C 0.595 177.045 176.300 0.250 0.000 1.144 126 D CA 0.068 54.338 54.000 0.451 0.000 0.880 126 D CB 1.298 42.228 40.800 0.217 0.000 1.182 126 D HN 0.339 nan 8.370 nan 0.000 0.451 127 I N 2.753 123.446 120.570 0.205 0.000 3.366 127 I HA 0.048 4.218 4.170 -0.000 0.000 0.267 127 I C 2.274 178.446 176.117 0.092 0.000 1.149 127 I CA 0.365 61.743 61.300 0.129 0.000 1.436 127 I CB -1.235 36.836 38.000 0.117 0.000 1.379 127 I HN 0.489 nan 8.210 nan 0.000 0.460 128 G N 1.007 109.865 108.800 0.096 0.000 2.394 128 G HA2 -0.113 3.847 3.960 -0.000 0.000 0.214 128 G HA3 -0.113 3.847 3.960 -0.000 0.000 0.214 128 G C 1.657 176.577 174.900 0.032 0.000 1.176 128 G CA 0.842 45.986 45.100 0.074 0.000 0.786 128 G HN 0.441 nan 8.290 nan 0.000 0.533 129 G N 0.473 109.255 108.800 -0.030 0.000 2.422 129 G HA2 -0.148 3.812 3.960 -0.000 0.000 0.218 129 G HA3 -0.148 3.812 3.960 -0.000 0.000 0.218 129 G C 1.774 176.633 174.900 -0.069 0.000 1.146 129 G CA 1.205 46.257 45.100 -0.080 0.000 0.769 129 G HN 0.310 nan 8.290 nan 0.000 0.547 130 V N 1.533 121.404 119.914 -0.073 0.000 2.295 130 V HA -0.147 3.972 4.120 -0.000 0.000 0.246 130 V C 3.341 179.440 176.094 0.008 0.000 1.049 130 V CA 2.064 64.323 62.300 -0.067 0.000 1.024 130 V CB -0.886 30.904 31.823 -0.054 0.000 0.648 130 V HN 0.482 nan 8.190 nan 0.000 0.447 131 A N -0.196 122.658 122.820 0.056 0.000 1.908 131 A HA -0.186 4.134 4.320 -0.000 0.000 0.218 131 A C 2.215 179.918 177.584 0.198 0.000 1.181 131 A CA 1.951 54.060 52.037 0.120 0.000 0.627 131 A CB -0.571 18.511 19.000 0.137 0.000 0.818 131 A HN 0.502 nan 8.150 nan 0.000 0.445 132 L N -1.045 120.257 121.223 0.133 0.000 1.989 132 L HA -0.201 4.139 4.340 -0.000 0.000 0.211 132 L C 2.530 179.402 176.870 0.003 0.000 1.071 132 L CA 0.910 55.774 54.840 0.039 0.000 0.749 132 L CB -0.709 41.322 42.059 -0.048 0.000 0.890 132 L HN 0.280 nan 8.230 nan 0.000 0.431 133 L N 0.024 121.227 121.223 -0.033 0.000 2.012 133 L HA -0.216 4.124 4.340 -0.000 0.000 0.210 133 L C 2.788 179.555 176.870 -0.171 0.000 1.073 133 L CA 1.839 56.623 54.840 -0.093 0.000 0.748 133 L CB -1.103 40.901 42.059 -0.091 0.000 0.891 133 L HN 0.247 nan 8.230 nan 0.000 0.431 134 R N -1.250 119.188 120.500 -0.104 0.000 2.090 134 R HA -0.022 4.318 4.340 -0.000 0.000 0.228 134 R C 2.200 178.508 176.300 0.012 0.000 1.110 134 R CA 1.056 57.094 56.100 -0.103 0.000 0.973 134 R CB -0.345 30.050 30.300 0.157 0.000 0.869 134 R HN 0.351 nan 8.270 nan 0.000 0.440 135 A N 1.574 124.437 122.820 0.071 0.000 1.873 135 A HA -0.094 4.226 4.320 -0.000 0.000 0.215 135 A C 2.397 180.021 177.584 0.067 0.000 1.186 135 A CA 1.648 53.755 52.037 0.117 0.000 0.616 135 A CB -0.671 18.462 19.000 0.222 0.000 0.823 135 A HN 0.363 nan 8.150 nan 0.000 0.442 136 A N -0.010 122.818 122.820 0.013 0.000 1.851 136 A HA 0.110 4.430 4.320 -0.000 0.000 0.216 136 A C 2.570 180.150 177.584 -0.006 0.000 1.195 136 A CA 2.501 54.536 52.037 -0.004 0.000 0.622 136 A CB -1.286 17.696 19.000 -0.029 0.000 0.831 136 A HN 1.166 nan 8.150 nan 0.000 0.444 137 A N -0.029 122.711 122.820 -0.133 0.000 1.892 137 A HA -0.262 4.058 4.320 -0.000 0.000 0.218 137 A C 2.153 179.828 177.584 0.151 0.000 1.188 137 A CA 2.405 54.322 52.037 -0.200 0.000 0.631 137 A CB -0.600 17.862 19.000 -0.897 0.000 0.822 137 A HN 0.625 nan 8.150 nan 0.000 0.447 138 K N -0.703 119.832 120.400 0.225 0.000 2.152 138 K HA -0.196 4.124 4.320 -0.000 0.000 0.206 138 K C 0.893 177.620 176.600 0.211 0.000 1.048 138 K CA 1.769 58.286 56.287 0.383 0.000 0.933 138 K CB -0.181 32.509 32.500 0.317 0.000 0.721 138 K HN 0.410 nan 8.250 nan 0.000 0.447 139 N N 0.789 119.562 118.700 0.122 0.000 2.451 139 N HA -0.010 4.730 4.740 -0.000 0.000 0.264 139 N C 0.658 176.168 175.510 0.000 0.000 1.167 139 N CA -0.250 52.812 53.050 0.020 0.000 0.898 139 N CB 0.091 38.597 38.487 0.031 0.000 1.176 139 N HN 0.338 nan 8.380 nan 0.000 0.507 140 H N -1.627 117.475 119.070 0.053 0.000 2.543 140 H HA 0.020 4.576 4.556 -0.000 0.000 0.286 140 H C 1.446 176.802 175.328 0.045 0.000 1.037 140 H CA 1.017 57.092 56.048 0.044 0.000 1.250 140 H CB -0.126 29.668 29.762 0.053 0.000 1.373 140 H HN 0.240 nan 8.280 nan 0.000 0.580 141 A N 1.495 124.098 122.820 -0.362 0.000 1.986 141 A HA -0.214 4.106 4.320 -0.000 0.000 0.220 141 A C 2.537 180.092 177.584 -0.047 0.000 1.171 141 A CA 2.101 54.028 52.037 -0.185 0.000 0.640 141 A CB -0.522 18.370 19.000 -0.180 0.000 0.811 141 A HN 0.525 nan 8.150 nan 0.000 0.451 142 R N -2.318 118.168 120.500 -0.024 0.000 2.444 142 R HA 0.220 4.560 4.340 -0.000 0.000 0.201 142 R C -0.621 175.694 176.300 0.024 0.000 0.861 142 R CA 0.332 56.435 56.100 0.005 0.000 1.034 142 R CB 0.670 30.970 30.300 0.000 0.000 1.347 142 R HN 0.199 nan 8.270 nan 0.000 0.659 143 V N 2.444 122.377 119.914 0.032 0.000 2.498 143 V HA 0.251 4.371 4.120 -0.000 0.000 0.279 143 V C -0.076 176.053 176.094 0.058 0.000 1.048 143 V CA -0.212 62.110 62.300 0.037 0.000 0.967 143 V CB 1.483 33.323 31.823 0.029 0.000 0.988 143 V HN 0.168 nan 8.190 nan 0.000 0.473 144 T N 4.713 119.297 114.554 0.051 0.000 2.780 144 T HA 0.398 4.748 4.350 -0.000 0.000 0.294 144 T C -0.329 174.405 174.700 0.057 0.000 0.949 144 T CA -0.041 62.100 62.100 0.068 0.000 1.074 144 T CB 1.372 70.289 68.868 0.081 0.000 0.910 144 T HN 0.488 nan 8.240 nan 0.000 0.501 145 V N 5.114 125.058 119.914 0.049 0.000 2.487 145 V HA 0.646 4.766 4.120 -0.000 0.000 0.298 145 V C -1.031 175.082 176.094 0.032 0.000 1.028 145 V CA -0.526 61.787 62.300 0.021 0.000 0.860 145 V CB 1.631 33.434 31.823 -0.033 0.000 0.991 145 V HN 0.697 nan 8.190 nan 0.000 0.427 146 V N 6.973 126.921 119.914 0.057 0.000 2.385 146 V HA 0.202 4.322 4.120 -0.000 0.000 0.277 146 V C 0.673 176.797 176.094 0.049 0.000 1.012 146 V CA -0.206 62.142 62.300 0.080 0.000 0.832 146 V CB 0.907 32.851 31.823 0.201 0.000 1.028 146 V HN 1.088 nan 8.190 nan 0.000 0.436 147 C N -0.357 118.908 119.300 -0.059 0.000 2.791 147 C HA 0.359 4.819 4.460 -0.000 0.000 0.270 147 C C 0.457 175.308 174.990 -0.232 0.000 1.257 147 C CA -0.144 58.789 59.018 -0.142 0.000 1.699 147 C CB -0.657 26.946 27.740 -0.227 0.000 1.904 147 C HN 0.714 nan 8.230 nan 0.000 0.603 148 D N 1.352 121.625 120.400 -0.212 0.000 2.469 148 D HA 0.327 4.967 4.640 -0.000 0.000 0.251 148 D C -2.107 173.896 176.300 -0.496 0.000 1.173 148 D CA -1.439 52.382 54.000 -0.299 0.000 0.882 148 D CB 2.023 42.679 40.800 -0.241 0.000 1.129 148 D HN -0.092 nan 8.370 nan 0.000 0.549 149 P HA -0.082 nan 4.420 nan 0.000 0.227 149 P C 0.697 177.498 177.300 -0.832 0.000 1.145 149 P CA 0.639 62.887 63.100 -1.419 0.000 0.769 149 P CB 0.325 31.540 31.700 -0.808 0.000 0.769 150 A N -1.098 121.443 122.820 -0.465 0.000 2.178 150 A HA -0.027 4.293 4.320 -0.000 0.000 0.211 150 A C 1.683 179.147 177.584 -0.200 0.000 1.157 150 A CA 0.871 52.750 52.037 -0.263 0.000 0.780 150 A CB -0.321 18.573 19.000 -0.176 0.000 0.828 150 A HN 0.046 nan 8.150 nan 0.000 0.476 151 D N -1.624 118.638 120.400 -0.229 0.000 2.389 151 D HA 0.025 4.665 4.640 -0.000 0.000 0.206 151 D C 0.914 177.118 176.300 -0.160 0.000 1.055 151 D CA 0.138 54.060 54.000 -0.130 0.000 0.856 151 D CB -0.061 40.696 40.800 -0.072 0.000 0.957 151 D HN 0.358 nan 8.370 nan 0.000 0.509 152 Y N 1.879 121.875 120.300 -0.507 0.000 2.102 152 Y HA -0.206 4.344 4.550 -0.000 0.000 0.280 152 Y C 2.705 178.295 175.900 -0.516 0.000 1.178 152 Y CA 0.549 58.078 58.100 -0.951 0.000 1.146 152 Y CB -1.030 37.011 38.460 -0.699 0.000 0.968 152 Y HN -0.065 nan 8.280 nan 0.000 0.504 153 S N -0.536 115.125 115.700 -0.066 0.000 2.371 153 S HA -0.136 4.334 4.470 -0.000 0.000 0.224 153 S C 2.269 176.872 174.600 0.005 0.000 1.029 153 S CA 1.285 59.485 58.200 -0.001 0.000 0.978 153 S CB -0.364 62.836 63.200 0.001 0.000 0.833 153 S HN 0.649 nan 8.310 nan 0.000 0.466 154 S N 1.031 116.718 115.700 -0.021 0.000 2.371 154 S HA -0.008 4.462 4.470 -0.000 0.000 0.224 154 S C 1.884 176.494 174.600 0.017 0.000 1.029 154 S CA 0.895 59.090 58.200 -0.009 0.000 0.978 154 S CB -0.712 62.470 63.200 -0.029 0.000 0.833 154 S HN 0.271 nan 8.310 nan 0.000 0.466 155 V N 2.803 122.730 119.914 0.022 0.000 2.261 155 V HA -0.139 3.981 4.120 -0.000 0.000 0.246 155 V C 3.149 179.342 176.094 0.164 0.000 1.047 155 V CA 1.791 64.146 62.300 0.091 0.000 1.015 155 V CB -1.504 30.387 31.823 0.113 0.000 0.642 155 V HN 0.641 nan 8.190 nan 0.000 0.446 156 A N -0.312 122.662 122.820 0.257 0.000 1.892 156 A HA -0.306 4.014 4.320 -0.000 0.000 0.218 156 A C 2.214 179.874 177.584 0.125 0.000 1.188 156 A CA 2.459 54.660 52.037 0.274 0.000 0.631 156 A CB -0.568 18.645 19.000 0.355 0.000 0.822 156 A HN 0.488 nan 8.150 nan 0.000 0.447 157 K N -0.370 120.084 120.400 0.090 0.000 2.097 157 K HA -0.139 4.181 4.320 -0.000 0.000 0.206 157 K C 2.049 178.673 176.600 0.040 0.000 1.049 157 K CA 1.551 57.869 56.287 0.052 0.000 0.933 157 K CB -0.151 32.370 32.500 0.036 0.000 0.717 157 K HN 0.728 nan 8.250 nan 0.000 0.442 158 E N 0.120 120.346 120.200 0.043 0.000 2.072 158 E HA -0.184 4.166 4.350 -0.000 0.000 0.191 158 E C 1.792 178.412 176.600 0.034 0.000 0.985 158 E CA 1.177 57.596 56.400 0.032 0.000 0.801 158 E CB 0.026 29.745 29.700 0.030 0.000 0.750 158 E HN 0.266 nan 8.360 nan 0.000 0.452 159 M N 0.098 119.727 119.600 0.047 0.000 2.229 159 M HA -0.051 4.429 4.480 -0.000 0.000 0.264 159 M C 2.273 178.586 176.300 0.021 0.000 1.063 159 M CA 1.188 56.509 55.300 0.034 0.000 1.114 159 M CB 0.048 32.672 32.600 0.039 0.000 1.387 159 M HN 0.157 nan 8.290 nan 0.000 0.420 160 A N -0.102 122.733 122.820 0.025 0.000 2.168 160 A HA 0.204 4.524 4.320 -0.000 0.000 0.215 160 A C 1.966 179.557 177.584 0.012 0.000 1.152 160 A CA 1.509 53.555 52.037 0.016 0.000 0.716 160 A CB -0.473 18.539 19.000 0.021 0.000 0.794 160 A HN 0.488 nan 8.150 nan 0.000 0.465 161 A N -0.612 122.216 122.820 0.014 0.000 2.508 161 A HA 0.448 4.768 4.320 -0.000 0.000 0.250 161 A C 1.086 178.675 177.584 0.009 0.000 1.208 161 A CA 0.680 52.724 52.037 0.010 0.000 0.960 161 A CB -0.230 18.777 19.000 0.011 0.000 1.099 161 A HN 0.690 nan 8.150 nan 0.000 0.542 162 S N -0.440 115.266 115.700 0.010 0.000 2.616 162 S HA 0.419 4.889 4.470 -0.000 0.000 0.277 162 S C 0.530 175.134 174.600 0.006 0.000 1.234 162 S CA -0.344 57.861 58.200 0.009 0.000 1.028 162 S CB 1.405 64.612 63.200 0.012 0.000 0.988 162 S HN 0.165 nan 8.310 nan 0.000 0.522 163 K N 1.176 121.579 120.400 0.006 0.000 2.280 163 K HA 0.005 4.324 4.320 -0.000 0.000 0.202 163 K C 0.027 176.629 176.600 0.003 0.000 1.047 163 K CA 1.552 57.841 56.287 0.004 0.000 0.942 163 K CB -0.195 32.307 32.500 0.004 0.000 0.739 163 K HN 0.684 nan 8.250 nan 0.000 0.457 164 D N -0.633 119.770 120.400 0.004 0.000 2.623 164 D HA 0.126 4.766 4.640 -0.000 0.000 0.252 164 D C -0.814 175.487 176.300 0.002 0.000 1.294 164 D CA -0.231 53.771 54.000 0.003 0.000 0.824 164 D CB 0.575 41.378 40.800 0.005 0.000 1.070 164 D HN -0.146 nan 8.370 nan 0.000 0.487 165 K N 0.397 120.798 120.400 0.001 0.000 2.975 165 K HA -0.225 4.095 4.320 -0.000 0.000 0.257 165 K C -0.558 176.042 176.600 0.000 0.000 1.005 165 K CA 0.684 56.970 56.287 -0.002 0.000 0.738 165 K CB -1.007 31.487 32.500 -0.011 0.000 1.236 165 K HN 0.297 nan 8.250 nan 0.000 0.483 166 D N -1.445 118.960 120.400 0.009 0.000 2.523 166 D HA 0.373 5.013 4.640 -0.000 0.000 0.236 166 D C -0.325 175.991 176.300 0.025 0.000 1.094 166 D CA -0.234 53.775 54.000 0.015 0.000 0.942 166 D CB 1.250 42.058 40.800 0.014 0.000 1.447 166 D HN 0.057 nan 8.370 nan 0.000 0.479 167 T N -1.055 113.521 114.554 0.036 0.000 2.788 167 T HA 0.505 4.854 4.350 -0.000 0.000 0.287 167 T C 0.686 175.409 174.700 0.039 0.000 1.007 167 T CA -0.660 61.466 62.100 0.043 0.000 1.005 167 T CB 0.664 69.568 68.868 0.059 0.000 1.012 167 T HN 0.351 nan 8.240 nan 0.000 0.530 168 S N 0.154 115.877 115.700 0.039 0.000 2.669 168 S HA 0.290 4.760 4.470 -0.000 0.000 0.270 168 S C 1.428 176.061 174.600 0.055 0.000 1.225 168 S CA -0.662 57.561 58.200 0.038 0.000 0.991 168 S CB 0.757 63.974 63.200 0.029 0.000 0.987 168 S HN 0.552 nan 8.310 nan 0.000 0.552 169 V N 1.020 120.969 119.914 0.058 0.000 2.343 169 V HA -0.133 3.987 4.120 -0.000 0.000 0.247 169 V C 2.778 178.930 176.094 0.096 0.000 1.051 169 V CA 2.316 64.666 62.300 0.084 0.000 1.036 169 V CB -1.551 30.316 31.823 0.072 0.000 0.654 169 V HN 1.042 nan 8.190 nan 0.000 0.451 170 E N 0.949 121.189 120.200 0.067 0.000 2.065 170 E HA -0.272 4.078 4.350 -0.000 0.000 0.201 170 E C 2.127 178.767 176.600 0.067 0.000 1.016 170 E CA 2.611 59.046 56.400 0.058 0.000 0.818 170 E CB -0.536 29.181 29.700 0.029 0.000 0.749 170 E HN 0.587 nan 8.360 nan 0.000 0.453 171 T N 0.228 114.815 114.554 0.055 0.000 2.708 171 T HA -0.103 4.246 4.350 -0.000 0.000 0.266 171 T C 1.846 176.613 174.700 0.112 0.000 1.037 171 T CA 1.506 63.644 62.100 0.063 0.000 1.146 171 T CB -0.252 68.643 68.868 0.044 0.000 0.865 171 T HN 0.205 nan 8.240 nan 0.000 0.435 172 R N 0.707 121.274 120.500 0.111 0.000 2.120 172 R HA 0.038 4.378 4.340 -0.000 0.000 0.234 172 R C 2.704 179.057 176.300 0.088 0.000 1.123 172 R CA 0.953 57.129 56.100 0.127 0.000 0.975 172 R CB -0.177 30.221 30.300 0.163 0.000 0.866 172 R HN 0.378 nan 8.270 nan 0.000 0.446 173 R N -0.497 120.048 120.500 0.076 0.000 2.081 173 R HA -0.138 4.202 4.340 -0.000 0.000 0.235 173 R C 2.368 178.639 176.300 -0.048 0.000 1.131 173 R CA 1.323 57.369 56.100 -0.090 0.000 0.960 173 R CB -0.548 29.756 30.300 0.006 0.000 0.856 173 R HN 0.392 nan 8.270 nan 0.000 0.436 174 H N 1.125 120.169 119.070 -0.044 0.000 2.319 174 H HA -0.111 4.445 4.556 -0.000 0.000 0.299 174 H C 1.960 177.264 175.328 -0.040 0.000 1.092 174 H CA 1.793 57.822 56.048 -0.032 0.000 1.302 174 H CB 0.069 29.822 29.762 -0.015 0.000 1.373 174 H HN 0.146 nan 8.280 nan 0.000 0.497 175 L N 0.079 121.316 121.223 0.023 0.000 2.156 175 L HA -0.065 4.275 4.340 -0.000 0.000 0.208 175 L C 3.113 179.926 176.870 -0.094 0.000 1.095 175 L CA 0.758 55.577 54.840 -0.035 0.000 0.770 175 L CB -0.465 41.620 42.059 0.043 0.000 0.914 175 L HN 0.265 nan 8.230 nan 0.000 0.439 176 A N 0.070 122.831 122.820 -0.100 0.000 1.930 176 A HA -0.184 4.136 4.320 -0.000 0.000 0.217 176 A C 2.310 179.838 177.584 -0.094 0.000 1.175 176 A CA 1.227 53.178 52.037 -0.144 0.000 0.627 176 A CB -0.601 18.262 19.000 -0.229 0.000 0.815 176 A HN 0.373 nan 8.150 nan 0.000 0.443 177 L N -0.578 120.589 121.223 -0.092 0.000 2.017 177 L HA -0.208 4.132 4.340 -0.000 0.000 0.208 177 L C 2.570 179.417 176.870 -0.038 0.000 1.073 177 L CA 2.375 57.194 54.840 -0.035 0.000 0.745 177 L CB -0.399 41.606 42.059 -0.090 0.000 0.894 177 L HN 0.486 nan 8.230 nan 0.000 0.432 178 K N -0.406 119.916 120.400 -0.130 0.000 2.097 178 K HA -0.194 4.126 4.320 -0.000 0.000 0.206 178 K C 1.952 178.523 176.600 -0.048 0.000 1.049 178 K CA 1.356 57.575 56.287 -0.114 0.000 0.933 178 K CB -0.057 32.330 32.500 -0.187 0.000 0.717 178 K HN 0.449 nan 8.250 nan 0.000 0.442 179 A N 0.347 123.112 122.820 -0.092 0.000 1.898 179 A HA -0.100 4.220 4.320 -0.000 0.000 0.216 179 A C 1.848 179.374 177.584 -0.096 0.000 1.181 179 A CA 1.098 53.063 52.037 -0.120 0.000 0.620 179 A CB -0.621 18.234 19.000 -0.241 0.000 0.819 179 A HN 0.293 nan 8.150 nan 0.000 0.442 180 F N 0.874 120.838 119.950 0.023 0.000 2.186 180 F HA -0.085 4.442 4.527 -0.000 0.000 0.299 180 F C 2.719 178.541 175.800 0.036 0.000 1.090 180 F CA 1.658 59.674 58.000 0.027 0.000 1.307 180 F CB -1.119 37.888 39.000 0.012 0.000 1.019 180 F HN 0.143 nan 8.300 nan 0.000 0.489 181 T N -1.821 112.852 114.554 0.199 0.000 2.759 181 T HA -0.267 4.083 4.350 -0.000 0.000 0.269 181 T C 1.750 176.544 174.700 0.156 0.000 1.042 181 T CA 1.930 64.112 62.100 0.137 0.000 1.140 181 T CB -0.495 68.421 68.868 0.081 0.000 0.864 181 T HN 0.281 nan 8.240 nan 0.000 0.455 182 H N 1.362 120.454 119.070 0.037 0.000 2.326 182 H HA -0.062 4.494 4.556 -0.000 0.000 0.301 182 H C 2.516 177.885 175.328 0.067 0.000 1.081 182 H CA 2.142 58.207 56.048 0.027 0.000 1.334 182 H CB -0.573 29.171 29.762 -0.029 0.000 1.385 182 H HN 0.432 nan 8.280 nan 0.000 0.504 183 T N -2.066 112.510 114.554 0.037 0.000 2.821 183 T HA -0.058 4.292 4.350 -0.000 0.000 0.267 183 T C 2.245 177.002 174.700 0.096 0.000 1.046 183 T CA 1.199 63.313 62.100 0.023 0.000 1.139 183 T CB -0.767 68.148 68.868 0.078 0.000 0.871 183 T HN 0.381 nan 8.240 nan 0.000 0.454 184 A N 1.775 124.664 122.820 0.116 0.000 1.877 184 A HA -0.119 4.201 4.320 -0.000 0.000 0.216 184 A C 2.494 180.115 177.584 0.060 0.000 1.186 184 A CA 1.672 53.763 52.037 0.090 0.000 0.620 184 A CB -0.928 18.127 19.000 0.091 0.000 0.822 184 A HN 0.627 nan 8.150 nan 0.000 0.443 185 Q N -2.167 117.669 119.800 0.060 0.000 2.124 185 Q HA -0.208 4.132 4.340 -0.000 0.000 0.202 185 Q C 1.973 177.981 176.000 0.014 0.000 0.977 185 Q CA 1.766 57.593 55.803 0.040 0.000 0.850 185 Q CB -0.328 28.447 28.738 0.060 0.000 0.901 185 Q HN 0.812 nan 8.270 nan 0.000 0.429 186 Y N 1.593 121.807 120.300 -0.145 0.000 2.145 186 Y HA -0.250 4.300 4.550 -0.000 0.000 0.286 186 Y C 1.790 177.568 175.900 -0.202 0.000 1.145 186 Y CA 1.745 59.730 58.100 -0.192 0.000 1.148 186 Y CB 0.024 38.334 38.460 -0.251 0.000 0.981 186 Y HN 0.070 nan 8.280 nan 0.000 0.507 187 D N -0.517 119.856 120.400 -0.045 0.000 2.183 187 D HA -0.072 4.568 4.640 -0.000 0.000 0.203 187 D C 2.227 178.451 176.300 -0.127 0.000 0.969 187 D CA 1.088 55.021 54.000 -0.112 0.000 0.842 187 D CB -0.382 40.421 40.800 0.006 0.000 0.957 187 D HN 0.436 nan 8.370 nan 0.000 0.484 188 A N 1.082 123.858 122.820 -0.073 0.000 1.908 188 A HA -0.138 4.182 4.320 -0.000 0.000 0.218 188 A C 2.314 179.828 177.584 -0.117 0.000 1.181 188 A CA 2.324 54.323 52.037 -0.062 0.000 0.627 188 A CB -0.717 18.275 19.000 -0.013 0.000 0.818 188 A HN 0.240 nan 8.150 nan 0.000 0.445 189 A N -0.101 122.625 122.820 -0.158 0.000 1.902 189 A HA -0.075 4.245 4.320 -0.000 0.000 0.217 189 A C 2.126 179.587 177.584 -0.204 0.000 1.181 189 A CA 1.531 53.482 52.037 -0.143 0.000 0.623 189 A CB -0.630 18.301 19.000 -0.116 0.000 0.818 189 A HN 0.517 nan 8.150 nan 0.000 0.443 190 I N -0.122 120.118 120.570 -0.549 0.000 2.142 190 I HA -0.254 3.916 4.170 -0.000 0.000 0.240 190 I C 2.736 178.681 176.117 -0.288 0.000 1.078 190 I CA 1.533 62.413 61.300 -0.700 0.000 1.343 190 I CB -0.527 36.967 38.000 -0.844 0.000 1.046 190 I HN 0.229 nan 8.210 nan 0.000 0.405 191 S N 0.404 116.025 115.700 -0.132 0.000 2.365 191 S HA -0.301 4.169 4.470 -0.000 0.000 0.225 191 S C 1.731 176.295 174.600 -0.059 0.000 1.039 191 S CA 2.099 60.292 58.200 -0.012 0.000 1.033 191 S CB -0.513 62.675 63.200 -0.021 0.000 0.887 191 S HN 0.510 nan 8.310 nan 0.000 0.447 192 D N -0.162 120.158 120.400 -0.133 0.000 2.149 192 D HA -0.156 4.484 4.640 -0.000 0.000 0.198 192 D C 1.739 177.972 176.300 -0.111 0.000 0.990 192 D CA 1.080 54.961 54.000 -0.198 0.000 0.839 192 D CB -0.224 40.455 40.800 -0.200 0.000 0.948 192 D HN 0.501 nan 8.370 nan 0.000 0.460 193 Y N -0.292 119.889 120.300 -0.198 0.000 2.163 193 Y HA -0.113 4.437 4.550 -0.000 0.000 0.288 193 Y C 1.797 177.570 175.900 -0.211 0.000 1.136 193 Y CA 1.469 59.436 58.100 -0.222 0.000 1.147 193 Y CB -0.552 37.771 38.460 -0.229 0.000 0.987 193 Y HN -0.093 nan 8.280 nan 0.000 0.509 194 F N 0.489 120.304 119.950 -0.225 0.000 2.171 194 F HA -0.084 4.443 4.527 -0.000 0.000 0.300 194 F C 2.644 178.267 175.800 -0.295 0.000 1.090 194 F CA 1.455 59.209 58.000 -0.409 0.000 1.293 194 F CB -1.047 37.906 39.000 -0.078 0.000 1.013 194 F HN -0.009 nan 8.300 nan 0.000 0.486 195 R N 0.702 121.211 120.500 0.014 0.000 2.096 195 R HA -0.173 4.167 4.340 -0.000 0.000 0.240 195 R C 2.139 178.394 176.300 -0.075 0.000 1.139 195 R CA 1.688 57.780 56.100 -0.014 0.000 0.952 195 R CB -0.125 30.137 30.300 -0.063 0.000 0.854 195 R HN 0.182 nan 8.270 nan 0.000 0.436 196 K N -0.401 119.904 120.400 -0.159 0.000 2.217 196 K HA -0.087 4.233 4.320 -0.000 0.000 0.202 196 K C 1.733 178.205 176.600 -0.214 0.000 1.051 196 K CA 0.801 56.990 56.287 -0.164 0.000 0.952 196 K CB 0.161 32.560 32.500 -0.168 0.000 0.736 196 K HN 0.185 nan 8.250 nan 0.000 0.453 197 E N -0.417 119.558 120.200 -0.375 0.000 2.166 197 E HA -0.021 4.329 4.350 -0.000 0.000 0.192 197 E C 1.392 177.878 176.600 -0.191 0.000 0.967 197 E CA 1.030 57.165 56.400 -0.441 0.000 0.840 197 E CB 0.214 29.388 29.700 -0.877 0.000 0.795 197 E HN 0.319 nan 8.360 nan 0.000 0.470 198 Y N -0.821 119.443 120.300 -0.059 0.000 2.483 198 Y HA 0.269 4.819 4.550 -0.000 0.000 0.258 198 Y C 1.931 177.807 175.900 -0.039 0.000 1.083 198 Y CA -0.171 57.900 58.100 -0.048 0.000 1.283 198 Y CB 0.355 38.780 38.460 -0.058 0.000 1.178 198 Y HN -0.149 nan 8.280 nan 0.000 0.515 199 S N -0.051 115.713 115.700 0.106 0.000 2.602 199 S HA 0.129 4.599 4.470 -0.000 0.000 0.240 199 S C 0.425 175.040 174.600 0.026 0.000 0.992 199 S CA -0.464 57.774 58.200 0.063 0.000 0.971 199 S CB -0.247 62.992 63.200 0.066 0.000 0.855 199 S HN 0.178 nan 8.310 nan 0.000 0.481 200 K N 0.978 121.385 120.400 0.011 0.000 2.511 200 K HA 0.147 4.467 4.320 -0.000 0.000 0.280 200 K C 1.149 177.747 176.600 -0.003 0.000 1.008 200 K CA 1.208 57.493 56.287 -0.003 0.000 1.050 200 K CB -0.202 32.291 32.500 -0.011 0.000 0.889 200 K HN 0.309 nan 8.250 nan 0.000 0.484 201 G N 2.276 111.070 108.800 -0.011 0.000 2.180 201 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.263 201 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.263 201 G C 0.435 175.324 174.900 -0.019 0.000 0.989 201 G CA 0.575 45.663 45.100 -0.020 0.000 0.692 201 G HN 0.451 nan 8.290 nan 0.000 0.526 202 V N 0.024 119.934 119.914 -0.007 0.000 3.050 202 V HA 0.257 4.377 4.120 -0.000 0.000 0.223 202 V C 2.214 178.307 176.094 -0.002 0.000 1.162 202 V CA 2.065 64.362 62.300 -0.005 0.000 1.247 202 V CB 0.379 32.206 31.823 0.007 0.000 1.125 202 V HN 0.913 nan 8.190 nan 0.000 0.508 203 S N -1.239 114.473 115.700 0.020 0.000 2.629 203 S HA 0.285 4.754 4.470 -0.000 0.000 0.236 203 S C 0.331 174.972 174.600 0.069 0.000 1.010 203 S CA -0.201 58.023 58.200 0.039 0.000 0.981 203 S CB 0.425 63.663 63.200 0.063 0.000 0.919 203 S HN 0.431 nan 8.310 nan 0.000 0.514 204 Q N 0.724 120.552 119.800 0.047 0.000 2.421 204 Q HA 0.629 4.969 4.340 -0.000 0.000 0.280 204 Q C -2.349 173.666 176.000 0.025 0.000 1.085 204 Q CA -0.783 55.058 55.803 0.064 0.000 0.807 204 Q CB 2.321 31.081 28.738 0.037 0.000 1.405 204 Q HN 0.419 nan 8.270 nan 0.000 0.419 205 L N 4.235 125.475 121.223 0.029 0.000 2.555 205 L HA 0.540 4.880 4.340 -0.000 0.000 0.264 205 L C -2.783 174.092 176.870 0.008 0.000 0.972 205 L CA -1.336 53.503 54.840 -0.002 0.000 0.876 205 L CB 1.916 43.956 42.059 -0.031 0.000 1.216 205 L HN 0.374 nan 8.230 nan 0.000 0.415 206 P HA 0.350 nan 4.420 nan 0.000 0.271 206 P C -1.066 176.230 177.300 -0.006 0.000 1.218 206 P CA 0.049 63.153 63.100 0.005 0.000 0.780 206 P CB 0.726 32.422 31.700 -0.007 0.000 0.901 207 L N 2.887 124.113 121.223 0.006 0.000 2.333 207 L HA 0.481 4.820 4.340 -0.000 0.000 0.269 207 L C 2.096 178.924 176.870 -0.070 0.000 1.010 207 L CA -1.028 53.796 54.840 -0.028 0.000 0.818 207 L CB 1.775 43.852 42.059 0.030 0.000 1.306 207 L HN 0.376 nan 8.230 nan 0.000 0.430 208 R N 1.540 121.927 120.500 -0.188 0.000 2.112 208 R HA -0.166 4.174 4.340 -0.000 0.000 0.242 208 R C -0.221 175.986 176.300 -0.155 0.000 1.137 208 R CA 1.868 57.814 56.100 -0.257 0.000 0.944 208 R CB -0.658 29.323 30.300 -0.533 0.000 0.857 208 R HN 0.674 nan 8.270 nan 0.000 0.435 209 Y N -3.873 116.443 120.300 0.026 0.000 2.930 209 Y HA 0.650 5.200 4.550 -0.000 0.000 0.336 209 Y C 0.417 176.285 175.900 -0.053 0.000 1.416 209 Y CA -1.025 57.061 58.100 -0.024 0.000 1.091 209 Y CB 0.050 38.485 38.460 -0.042 0.000 1.631 209 Y HN 0.048 nan 8.280 nan 0.000 0.436 210 G N 0.367 109.231 108.800 0.106 0.000 3.137 210 G HA2 0.217 4.177 3.960 -0.000 0.000 0.163 210 G HA3 0.217 4.177 3.960 -0.000 0.000 0.163 210 G C 0.622 175.327 174.900 -0.324 0.000 1.602 210 G CA -0.302 44.543 45.100 -0.425 0.000 1.067 210 G HN 0.555 nan 8.290 nan 0.000 0.568 211 M N 0.642 119.927 119.600 -0.524 0.000 2.144 211 M HA 0.019 4.499 4.480 -0.000 0.000 0.260 211 M C 0.315 176.615 176.300 0.001 0.000 1.067 211 M CA 1.226 56.439 55.300 -0.145 0.000 1.095 211 M CB -1.050 31.476 32.600 -0.124 0.000 1.365 211 M HN 0.288 nan 8.290 nan 0.000 0.406 212 N N -1.777 116.849 118.700 -0.123 0.000 2.284 212 N HA 0.228 4.968 4.740 -0.000 0.000 0.289 212 N C -2.220 172.980 175.510 -0.516 0.000 1.179 212 N CA -1.219 51.721 53.050 -0.183 0.000 0.774 212 N CB 1.733 40.186 38.487 -0.057 0.000 1.548 212 N HN -0.267 nan 8.380 nan 0.000 0.473 213 P HA -0.192 nan 4.420 nan 0.000 0.217 213 P C 0.954 178.009 177.300 -0.409 0.000 1.148 213 P CA 1.564 64.014 63.100 -1.083 0.000 0.834 213 P CB -0.067 31.280 31.700 -0.588 0.000 0.783 214 H N -2.029 116.887 119.070 -0.256 0.000 2.539 214 H HA 0.173 4.729 4.556 -0.000 0.000 0.267 214 H C 0.128 175.409 175.328 -0.080 0.000 0.982 214 H CA 0.171 56.144 56.048 -0.126 0.000 1.146 214 H CB -0.464 29.243 29.762 -0.092 0.000 1.382 214 H HN 0.212 nan 8.280 nan 0.000 0.577 215 Q N 1.435 120.929 119.800 -0.509 0.000 2.465 215 Q HA 0.456 4.795 4.340 -0.000 0.000 0.237 215 Q C -0.828 175.094 176.000 -0.130 0.000 1.051 215 Q CA -0.366 55.227 55.803 -0.350 0.000 0.874 215 Q CB 1.589 30.066 28.738 -0.435 0.000 1.207 215 Q HN 0.103 nan 8.270 nan 0.000 0.508 216 S N 1.844 117.512 115.700 -0.055 0.000 2.564 216 S HA 0.674 5.144 4.470 -0.000 0.000 0.274 216 S C -2.281 172.323 174.600 0.006 0.000 1.124 216 S CA -0.998 57.211 58.200 0.014 0.000 0.869 216 S CB 1.194 64.432 63.200 0.062 0.000 1.105 216 S HN 0.516 nan 8.310 nan 0.000 0.472 217 P HA 0.842 nan 4.420 nan 0.000 0.282 217 P C -1.476 175.848 177.300 0.040 0.000 1.287 217 P CA -0.616 62.505 63.100 0.035 0.000 0.792 217 P CB 0.839 32.557 31.700 0.031 0.000 1.163 218 A N -0.009 122.850 122.820 0.065 0.000 2.556 218 A HA 0.677 4.997 4.320 -0.000 0.000 0.294 218 A C -1.279 176.390 177.584 0.142 0.000 1.091 218 A CA -0.560 51.548 52.037 0.118 0.000 0.704 218 A CB 1.805 20.886 19.000 0.135 0.000 1.300 218 A HN 0.759 nan 8.150 nan 0.000 0.406 219 Q N 0.143 120.061 119.800 0.197 0.000 2.482 219 Q HA 0.733 5.073 4.340 -0.000 0.000 0.286 219 Q C -1.994 174.095 176.000 0.148 0.000 1.007 219 Q CA -0.849 55.049 55.803 0.158 0.000 0.801 219 Q CB 1.652 30.484 28.738 0.157 0.000 1.455 219 Q HN 0.811 nan 8.270 nan 0.000 0.398 220 L N 2.712 123.977 121.223 0.070 0.000 2.317 220 L HA 0.722 5.062 4.340 -0.000 0.000 0.281 220 L C -1.510 175.413 176.870 0.089 0.000 1.024 220 L CA -0.274 54.557 54.840 -0.014 0.000 0.810 220 L CB 1.282 43.277 42.059 -0.106 0.000 1.240 220 L HN 0.765 nan 8.230 nan 0.000 0.427 221 Y N 1.032 121.312 120.300 -0.035 0.000 2.705 221 Y HA 0.822 5.372 4.550 -0.000 0.000 0.332 221 Y C -1.079 174.808 175.900 -0.022 0.000 1.221 221 Y CA -0.967 57.118 58.100 -0.025 0.000 1.059 221 Y CB 1.447 39.905 38.460 -0.004 0.000 1.298 221 Y HN 0.610 nan 8.280 nan 0.000 0.459 222 T N -0.295 114.370 114.554 0.185 0.000 2.900 222 T HA 0.357 4.707 4.350 -0.000 0.000 0.303 222 T C 0.232 175.080 174.700 0.248 0.000 1.142 222 T CA -0.032 62.128 62.100 0.101 0.000 1.007 222 T CB 1.310 70.193 68.868 0.025 0.000 1.156 222 T HN 1.081 nan 8.240 nan 0.000 0.490 223 T N 0.739 115.409 114.554 0.195 0.000 3.129 223 T HA 0.324 4.674 4.350 -0.000 0.000 0.251 223 T C 0.836 175.602 174.700 0.111 0.000 1.117 223 T CA -0.077 62.123 62.100 0.168 0.000 1.034 223 T CB -0.085 68.873 68.868 0.149 0.000 0.968 223 T HN 0.440 nan 8.240 nan 0.000 0.526 224 R N 1.461 122.022 120.500 0.102 0.000 2.583 224 R HA 0.311 4.651 4.340 -0.000 0.000 0.268 224 R C -1.614 174.726 176.300 0.068 0.000 1.101 224 R CA -1.963 54.187 56.100 0.084 0.000 1.180 224 R CB 0.022 30.384 30.300 0.102 0.000 1.128 224 R HN 0.012 nan 8.270 nan 0.000 0.568 225 P HA -0.069 nan 4.420 nan 0.000 0.221 225 P C -0.603 176.714 177.300 0.030 0.000 1.150 225 P CA 1.466 64.589 63.100 0.038 0.000 0.800 225 P CB 0.401 32.118 31.700 0.028 0.000 0.787 226 K N -0.941 119.474 120.400 0.024 0.000 2.498 226 K HA 0.395 4.715 4.320 -0.000 0.000 0.254 226 K C -0.820 175.764 176.600 -0.027 0.000 0.933 226 K CA -0.858 55.429 56.287 -0.001 0.000 0.806 226 K CB 2.031 34.526 32.500 -0.009 0.000 1.301 226 K HN -0.149 nan 8.250 nan 0.000 0.432 227 L N 4.157 125.344 121.223 -0.060 0.000 2.453 227 L HA 0.116 4.456 4.340 -0.000 0.000 0.272 227 L C -1.088 175.667 176.870 -0.192 0.000 1.182 227 L CA -1.062 53.696 54.840 -0.138 0.000 0.858 227 L CB 0.450 42.432 42.059 -0.129 0.000 1.120 227 L HN 0.543 nan 8.230 nan 0.000 0.474 228 P HA -0.058 nan 4.420 nan 0.000 0.233 228 P C 0.041 177.138 177.300 -0.338 0.000 1.167 228 P CA 0.749 63.629 63.100 -0.367 0.000 0.770 228 P CB 0.402 31.647 31.700 -0.758 0.000 0.837 229 L N 1.198 122.229 121.223 -0.319 0.000 2.295 229 L HA 0.382 4.722 4.340 -0.000 0.000 0.281 229 L C -0.271 176.487 176.870 -0.186 0.000 1.018 229 L CA -0.386 54.285 54.840 -0.281 0.000 0.841 229 L CB 1.288 43.168 42.059 -0.297 0.000 1.218 229 L HN -0.127 nan 8.230 nan 0.000 0.424 230 T N 1.377 115.842 114.554 -0.149 0.000 2.925 230 T HA 0.587 4.937 4.350 -0.000 0.000 0.285 230 T C -0.247 174.402 174.700 -0.085 0.000 1.021 230 T CA -0.751 61.288 62.100 -0.102 0.000 1.042 230 T CB 1.889 70.710 68.868 -0.078 0.000 1.037 230 T HN 0.198 nan 8.240 nan 0.000 0.481 231 V N 3.507 123.376 119.914 -0.075 0.000 2.406 231 V HA 0.225 4.345 4.120 -0.000 0.000 0.272 231 V C 0.922 176.972 176.094 -0.072 0.000 1.043 231 V CA -0.369 61.888 62.300 -0.073 0.000 0.915 231 V CB 1.072 32.854 31.823 -0.069 0.000 0.988 231 V HN 0.942 nan 8.190 nan 0.000 0.466 232 V N 3.855 123.715 119.914 -0.091 0.000 2.922 232 V HA 0.232 4.352 4.120 -0.000 0.000 0.242 232 V C 0.540 176.563 176.094 -0.120 0.000 1.094 232 V CA 0.559 62.795 62.300 -0.107 0.000 1.106 232 V CB 0.086 31.820 31.823 -0.148 0.000 0.799 232 V HN 0.892 nan 8.190 nan 0.000 0.474 233 N N -1.440 117.180 118.700 -0.133 0.000 2.331 233 N HA 0.542 5.282 4.740 -0.000 0.000 0.280 233 N C -0.009 175.439 175.510 -0.105 0.000 1.155 233 N CA 0.688 53.672 53.050 -0.110 0.000 0.822 233 N CB 2.053 40.471 38.487 -0.115 0.000 1.619 233 N HN 0.389 nan 8.380 nan 0.000 0.476 234 G N 0.925 109.682 108.800 -0.072 0.000 2.528 234 G HA2 -0.095 3.865 3.960 -0.000 0.000 0.262 234 G HA3 -0.095 3.865 3.960 -0.000 0.000 0.262 234 G C -0.745 174.115 174.900 -0.066 0.000 1.200 234 G CA 0.058 45.119 45.100 -0.066 0.000 0.951 234 G HN 1.083 nan 8.290 nan 0.000 0.566 235 S N 1.514 117.174 115.700 -0.067 0.000 2.481 235 S HA 0.574 5.044 4.470 -0.000 0.000 0.262 235 S C -2.749 171.819 174.600 -0.054 0.000 1.061 235 S CA 0.028 58.193 58.200 -0.058 0.000 1.039 235 S CB 1.713 64.882 63.200 -0.051 0.000 1.170 235 S HN 0.809 nan 8.310 nan 0.000 0.437 236 P HA 0.441 nan 4.420 nan 0.000 0.278 236 P C 0.351 177.610 177.300 -0.068 0.000 1.238 236 P CA -0.168 62.906 63.100 -0.043 0.000 0.794 236 P CB 0.739 32.398 31.700 -0.069 0.000 0.955 237 G N 0.310 109.076 108.800 -0.056 0.000 2.557 237 G HA2 0.253 4.213 3.960 -0.000 0.000 0.302 237 G HA3 0.253 4.213 3.960 -0.000 0.000 0.302 237 G C 0.164 175.058 174.900 -0.010 0.000 1.311 237 G CA -0.716 44.348 45.100 -0.060 0.000 1.030 237 G HN 0.417 nan 8.290 nan 0.000 0.509 238 F N -0.114 119.785 119.950 -0.085 0.000 2.075 238 F HA -0.063 4.464 4.527 -0.000 0.000 0.297 238 F C 2.502 178.281 175.800 -0.035 0.000 1.113 238 F CA 1.313 59.288 58.000 -0.043 0.000 1.218 238 F CB 0.114 39.122 39.000 0.013 0.000 0.984 238 F HN 0.111 nan 8.300 nan 0.000 0.472 239 I N 0.761 121.480 120.570 0.248 0.000 2.226 239 I HA -0.307 3.863 4.170 -0.000 0.000 0.245 239 I C 1.907 177.994 176.117 -0.050 0.000 1.100 239 I CA 1.470 62.852 61.300 0.137 0.000 1.374 239 I CB -1.923 36.187 38.000 0.184 0.000 1.057 239 I HN 0.286 nan 8.210 nan 0.000 0.413 240 N N 0.929 119.576 118.700 -0.088 0.000 2.091 240 N HA -0.211 4.529 4.740 -0.000 0.000 0.193 240 N C 1.952 177.093 175.510 -0.615 0.000 1.021 240 N CA 1.123 53.992 53.050 -0.301 0.000 0.862 240 N CB -0.206 38.197 38.487 -0.139 0.000 1.018 240 N HN 0.296 nan 8.380 nan 0.000 0.429 241 L N 0.120 121.092 121.223 -0.419 0.000 2.072 241 L HA -0.132 4.208 4.340 -0.000 0.000 0.205 241 L C 2.371 179.013 176.870 -0.381 0.000 1.079 241 L CA 0.655 55.235 54.840 -0.435 0.000 0.752 241 L CB -0.403 41.429 42.059 -0.378 0.000 0.906 241 L HN 0.373 nan 8.230 nan 0.000 0.436 242 C N -0.102 119.008 119.300 -0.317 0.000 2.398 242 C HA -0.196 4.264 4.460 -0.000 0.000 0.276 242 C C 2.471 177.397 174.990 -0.106 0.000 1.222 242 C CA 0.642 59.557 59.018 -0.171 0.000 1.746 242 C CB -0.826 26.880 27.740 -0.058 0.000 2.039 242 C HN 0.556 nan 8.230 nan 0.000 0.470 243 D N 0.847 121.166 120.400 -0.136 0.000 2.084 243 D HA -0.099 4.541 4.640 -0.000 0.000 0.194 243 D C 2.362 178.412 176.300 -0.417 0.000 0.990 243 D CA 1.835 55.777 54.000 -0.097 0.000 0.826 243 D CB -0.623 40.163 40.800 -0.023 0.000 0.971 243 D HN 0.497 nan 8.370 nan 0.000 0.453 244 A N 0.896 123.320 122.820 -0.659 0.000 1.883 244 A HA -0.153 4.167 4.320 -0.000 0.000 0.217 244 A C 2.433 179.849 177.584 -0.281 0.000 1.186 244 A CA 1.141 52.843 52.037 -0.558 0.000 0.624 244 A CB -0.845 17.718 19.000 -0.728 0.000 0.822 244 A HN 0.218 nan 8.150 nan 0.000 0.444 245 L N -0.586 120.481 121.223 -0.259 0.000 2.313 245 L HA -0.086 4.254 4.340 -0.000 0.000 0.214 245 L C 2.212 179.015 176.870 -0.112 0.000 1.119 245 L CA 0.640 55.402 54.840 -0.130 0.000 0.809 245 L CB -0.392 41.590 42.059 -0.128 0.000 0.933 245 L HN 0.412 nan 8.230 nan 0.000 0.449 246 N N 0.084 118.659 118.700 -0.208 0.000 2.251 246 N HA -0.025 4.714 4.740 -0.000 0.000 0.181 246 N C 1.936 177.068 175.510 -0.632 0.000 1.019 246 N CA 1.219 54.119 53.050 -0.249 0.000 0.862 246 N CB 0.080 38.631 38.487 0.106 0.000 0.992 246 N HN 0.226 nan 8.380 nan 0.000 0.429 247 A N 1.550 123.749 122.820 -1.035 0.000 1.933 247 A HA -0.163 4.157 4.320 -0.000 0.000 0.218 247 A C 2.003 179.359 177.584 -0.380 0.000 1.175 247 A CA 0.917 52.358 52.037 -0.994 0.000 0.628 247 A CB -1.075 17.372 19.000 -0.921 0.000 0.814 247 A HN 0.605 nan 8.150 nan 0.000 0.444 248 W N 0.714 121.782 121.300 -0.386 0.000 2.355 248 W HA -0.221 4.439 4.660 -0.000 0.000 0.309 248 W C 1.988 178.349 176.519 -0.264 0.000 1.206 248 W CA 1.901 59.101 57.345 -0.241 0.000 1.284 248 W CB -0.355 28.997 29.460 -0.180 0.000 1.145 248 W HN 0.506 nan 8.180 nan 0.000 0.502 249 Q N 0.652 120.171 119.800 -0.468 0.000 2.135 249 Q HA -0.249 4.091 4.340 -0.000 0.000 0.204 249 Q C 2.483 178.038 176.000 -0.742 0.000 0.981 249 Q CA 1.943 57.361 55.803 -0.640 0.000 0.856 249 Q CB -0.536 27.778 28.738 -0.708 0.000 0.902 249 Q HN 0.405 nan 8.270 nan 0.000 0.425 250 L N 0.511 121.267 121.223 -0.777 0.000 1.994 250 L HA -0.171 4.169 4.340 -0.000 0.000 0.208 250 L C 2.405 179.118 176.870 -0.262 0.000 1.071 250 L CA 1.350 55.950 54.840 -0.399 0.000 0.745 250 L CB -0.293 41.681 42.059 -0.141 0.000 0.892 250 L HN 0.229 nan 8.230 nan 0.000 0.431 251 V N -2.449 117.277 119.914 -0.313 0.000 2.427 251 V HA -0.250 3.870 4.120 -0.000 0.000 0.248 251 V C 2.490 178.337 176.094 -0.412 0.000 1.051 251 V CA 1.961 64.096 62.300 -0.275 0.000 1.048 251 V CB -0.854 30.856 31.823 -0.188 0.000 0.666 251 V HN 0.489 nan 8.190 nan 0.000 0.456 252 K N 0.441 120.405 120.400 -0.726 0.000 2.009 252 K HA -0.231 4.089 4.320 -0.000 0.000 0.210 252 K C 2.275 178.675 176.600 -0.333 0.000 1.049 252 K CA 2.240 58.122 56.287 -0.675 0.000 0.929 252 K CB -0.296 31.633 32.500 -0.952 0.000 0.714 252 K HN 0.666 nan 8.250 nan 0.000 0.440 253 E N 0.479 120.524 120.200 -0.259 0.000 2.153 253 E HA -0.182 4.168 4.350 -0.000 0.000 0.194 253 E C 2.110 178.664 176.600 -0.076 0.000 0.988 253 E CA 0.937 57.272 56.400 -0.109 0.000 0.811 253 E CB 0.004 29.700 29.700 -0.007 0.000 0.746 253 E HN 0.343 nan 8.360 nan 0.000 0.466 254 L N 0.844 122.015 121.223 -0.087 0.000 2.044 254 L HA -0.161 4.179 4.340 -0.000 0.000 0.205 254 L C 2.672 179.510 176.870 -0.054 0.000 1.075 254 L CA 1.035 55.848 54.840 -0.046 0.000 0.747 254 L CB -0.285 41.756 42.059 -0.031 0.000 0.903 254 L HN 0.052 nan 8.230 nan 0.000 0.435 255 K N 0.084 120.430 120.400 -0.090 0.000 2.044 255 K HA -0.264 4.056 4.320 -0.000 0.000 0.210 255 K C 2.060 178.625 176.600 -0.058 0.000 1.049 255 K CA 1.820 58.063 56.287 -0.074 0.000 0.927 255 K CB -0.050 32.389 32.500 -0.102 0.000 0.713 255 K HN 0.383 nan 8.250 nan 0.000 0.443 256 Q N -0.509 119.248 119.800 -0.073 0.000 2.084 256 Q HA -0.137 4.203 4.340 -0.000 0.000 0.202 256 Q C 2.074 178.051 176.000 -0.037 0.000 0.978 256 Q CA 1.591 57.362 55.803 -0.053 0.000 0.844 256 Q CB -0.130 28.572 28.738 -0.060 0.000 0.898 256 Q HN 0.411 nan 8.270 nan 0.000 0.426 257 A N 0.136 122.936 122.820 -0.034 0.000 1.968 257 A HA -0.058 4.262 4.320 -0.000 0.000 0.217 257 A C 1.734 179.312 177.584 -0.011 0.000 1.169 257 A CA 1.068 53.092 52.037 -0.021 0.000 0.638 257 A CB -0.024 18.970 19.000 -0.011 0.000 0.812 257 A HN 0.302 nan 8.150 nan 0.000 0.446 258 L N -2.490 118.727 121.223 -0.011 0.000 2.920 258 L HA 0.316 4.656 4.340 -0.000 0.000 0.257 258 L C 1.462 178.328 176.870 -0.006 0.000 1.150 258 L CA 0.406 55.244 54.840 -0.003 0.000 0.959 258 L CB 0.413 42.474 42.059 0.004 0.000 1.321 258 L HN 0.477 nan 8.230 nan 0.000 0.555 259 G N 1.655 110.448 108.800 -0.013 0.000 2.168 259 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.257 259 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.257 259 G C 0.090 174.986 174.900 -0.007 0.000 0.997 259 G CA 0.534 45.627 45.100 -0.011 0.000 0.708 259 G HN 0.332 nan 8.290 nan 0.000 0.520 260 I N 0.016 120.583 120.570 -0.005 0.000 2.569 260 I HA 0.388 4.558 4.170 -0.000 0.000 0.296 260 I C -2.218 173.898 176.117 -0.001 0.000 1.028 260 I CA -2.886 58.415 61.300 0.002 0.000 1.082 260 I CB 2.202 40.208 38.000 0.010 0.000 1.264 260 I HN -0.220 nan 8.210 nan 0.000 0.429 261 P HA 0.100 nan 4.420 nan 0.000 0.265 261 P C -0.995 176.316 177.300 0.017 0.000 1.187 261 P CA 0.090 63.194 63.100 0.007 0.000 0.766 261 P CB 0.566 32.278 31.700 0.019 0.000 0.820 262 A N 1.965 124.790 122.820 0.009 0.000 2.454 262 A HA 0.858 5.178 4.320 -0.000 0.000 0.302 262 A C -1.116 176.498 177.584 0.050 0.000 1.079 262 A CA -0.423 51.627 52.037 0.021 0.000 0.731 262 A CB 1.813 20.804 19.000 -0.015 0.000 1.299 262 A HN 0.529 nan 8.150 nan 0.000 0.413 263 A N -0.144 122.735 122.820 0.098 0.000 2.515 263 A HA 1.000 5.320 4.320 -0.000 0.000 0.296 263 A C -0.417 177.274 177.584 0.179 0.000 1.094 263 A CA -0.069 52.069 52.037 0.168 0.000 0.718 263 A CB 1.525 20.701 19.000 0.292 0.000 1.307 263 A HN 2.576 nan 8.150 nan 0.000 0.408 264 A N -0.146 122.815 122.820 0.235 0.000 2.539 264 A HA 0.826 5.146 4.320 -0.000 0.000 0.296 264 A C -0.582 177.233 177.584 0.384 0.000 1.073 264 A CA -0.088 52.121 52.037 0.286 0.000 0.700 264 A CB 1.557 20.724 19.000 0.279 0.000 1.296 264 A HN 1.736 nan 8.150 nan 0.000 0.405 265 S N 0.798 116.741 115.700 0.404 0.000 2.596 265 S HA 0.748 5.218 4.470 -0.000 0.000 0.318 265 S C -1.590 173.289 174.600 0.464 0.000 1.097 265 S CA -0.260 58.186 58.200 0.410 0.000 1.080 265 S CB -0.086 63.283 63.200 0.282 0.000 0.991 265 S HN 0.459 nan 8.310 nan 0.000 0.471 266 F N 3.515 123.592 119.950 0.213 0.000 2.492 266 F HA 0.681 5.208 4.527 -0.000 0.000 0.327 266 F C 0.427 176.337 175.800 0.184 0.000 1.079 266 F CA -0.730 57.385 58.000 0.191 0.000 0.967 266 F CB 1.809 40.922 39.000 0.188 0.000 1.169 266 F HN 0.346 nan 8.300 nan 0.000 0.472 267 K N 1.802 122.329 120.400 0.210 0.000 2.543 267 K HA 0.202 4.522 4.320 -0.000 0.000 0.255 267 K C -0.752 175.951 176.600 0.171 0.000 0.934 267 K CA -0.550 55.835 56.287 0.164 0.000 0.810 267 K CB 1.400 33.990 32.500 0.151 0.000 1.315 267 K HN 0.696 nan 8.250 nan 0.000 0.433 268 H N 1.329 120.498 119.070 0.166 0.000 2.690 268 H HA -0.156 4.400 4.556 -0.000 0.000 0.309 268 H C 0.242 175.651 175.328 0.135 0.000 1.138 268 H CA 1.209 57.341 56.048 0.140 0.000 1.142 268 H CB -1.328 28.499 29.762 0.109 0.000 1.410 268 H HN 0.569 nan 8.280 nan 0.000 0.409 269 V N -2.169 117.917 119.914 0.288 0.000 3.710 269 V HA -0.291 3.829 4.120 -0.000 0.000 0.214 269 V C 0.676 176.874 176.094 0.172 0.000 0.429 269 V CA 1.500 64.006 62.300 0.344 0.000 1.007 269 V CB -1.925 30.071 31.823 0.287 0.000 1.117 269 V HN 0.538 nan 8.190 nan 0.000 1.243 270 S N 0.251 115.843 115.700 -0.180 0.000 2.599 270 S HA 0.734 5.204 4.470 -0.000 0.000 0.287 270 S C -2.769 171.184 174.600 -1.079 0.000 1.105 270 S CA -1.073 56.834 58.200 -0.487 0.000 0.899 270 S CB 3.044 66.155 63.200 -0.149 0.000 1.100 270 S HN 0.229 nan 8.310 nan 0.000 0.482 271 P HA 0.246 nan 4.420 nan 0.000 0.271 271 P C -0.226 176.942 177.300 -0.220 0.000 1.216 271 P CA -0.136 62.556 63.100 -0.681 0.000 0.771 271 P CB 0.765 32.343 31.700 -0.203 0.000 0.864 272 A N 3.098 125.886 122.820 -0.053 0.000 2.030 272 A HA 0.444 4.763 4.320 -0.000 0.000 0.215 272 A C 1.048 178.671 177.584 0.064 0.000 1.164 272 A CA 1.279 53.340 52.037 0.041 0.000 0.697 272 A CB -0.475 18.584 19.000 0.100 0.000 0.827 272 A HN 0.658 nan 8.150 nan 0.000 0.457 273 G N -2.694 106.158 108.800 0.086 0.000 2.646 273 G HA2 0.677 4.637 3.960 -0.000 0.000 0.291 273 G HA3 0.677 4.637 3.960 -0.000 0.000 0.291 273 G C -1.333 173.640 174.900 0.122 0.000 1.445 273 G CA 0.134 45.284 45.100 0.083 0.000 0.814 273 G HN 1.276 nan 8.290 nan 0.000 0.495 274 A N -0.990 121.887 122.820 0.096 0.000 2.565 274 A HA 1.042 5.362 4.320 -0.000 0.000 0.298 274 A C -0.537 177.091 177.584 0.073 0.000 1.062 274 A CA 0.357 52.464 52.037 0.116 0.000 0.723 274 A CB 1.156 20.239 19.000 0.138 0.000 1.282 274 A HN 2.595 nan 8.150 nan 0.000 0.400 275 A N 0.624 123.489 122.820 0.076 0.000 2.612 275 A HA 0.868 5.188 4.320 -0.000 0.000 0.293 275 A C -0.429 177.190 177.584 0.057 0.000 1.075 275 A CA 0.009 52.081 52.037 0.058 0.000 0.680 275 A CB 0.793 19.829 19.000 0.060 0.000 1.279 275 A HN 2.326 nan 8.150 nan 0.000 0.411 276 V N -1.061 118.880 119.914 0.046 0.000 2.966 276 V HA 0.873 4.993 4.120 -0.000 0.000 0.317 276 V C 0.743 176.868 176.094 0.052 0.000 1.070 276 V CA -0.074 62.251 62.300 0.042 0.000 1.008 276 V CB 1.565 33.404 31.823 0.027 0.000 1.070 276 V HN 1.678 nan 8.190 nan 0.000 0.457 277 G N 2.822 111.652 108.800 0.050 0.000 3.401 277 G HA2 0.339 4.299 3.960 -0.000 0.000 0.251 277 G HA3 0.339 4.299 3.960 -0.000 0.000 0.251 277 G C 0.167 175.100 174.900 0.057 0.000 0.960 277 G CA -0.348 44.787 45.100 0.059 0.000 1.900 277 G HN 0.510 nan 8.290 nan 0.000 0.645 278 I N 1.979 122.587 120.570 0.063 0.000 2.618 278 I HA 0.143 4.313 4.170 -0.000 0.000 0.284 278 I C -1.722 174.444 176.117 0.083 0.000 1.146 278 I CA -2.962 58.378 61.300 0.066 0.000 1.425 278 I CB 0.515 38.557 38.000 0.071 0.000 1.383 278 I HN 0.137 nan 8.210 nan 0.000 0.562 279 P HA 0.145 nan 4.420 nan 0.000 0.269 279 P C -0.648 176.732 177.300 0.134 0.000 1.209 279 P CA -0.372 62.779 63.100 0.086 0.000 0.776 279 P CB 0.580 32.316 31.700 0.059 0.000 0.876 280 L N 1.720 123.050 121.223 0.179 0.000 2.307 280 L HA 0.266 4.606 4.340 -0.000 0.000 0.282 280 L C 1.136 178.178 176.870 0.286 0.000 1.051 280 L CA 0.046 55.019 54.840 0.222 0.000 0.804 280 L CB 0.509 42.698 42.059 0.217 0.000 1.197 280 L HN 0.402 nan 8.230 nan 0.000 0.431 281 S N 0.729 116.547 115.700 0.196 0.000 2.580 281 S HA 0.042 4.512 4.470 -0.000 0.000 0.266 281 S C 1.013 175.577 174.600 -0.061 0.000 1.354 281 S CA -0.339 57.943 58.200 0.135 0.000 1.008 281 S CB 0.446 63.721 63.200 0.124 0.000 0.898 281 S HN 0.721 nan 8.310 nan 0.000 0.555 282 E N 0.617 120.689 120.200 -0.214 0.000 2.118 282 E HA -0.245 4.105 4.350 -0.000 0.000 0.195 282 E C 2.060 178.595 176.600 -0.109 0.000 0.992 282 E CA 1.556 57.684 56.400 -0.453 0.000 0.804 282 E CB -0.125 29.464 29.700 -0.184 0.000 0.741 282 E HN 0.911 nan 8.360 nan 0.000 0.458 283 E N 0.570 120.765 120.200 -0.009 0.000 2.072 283 E HA -0.246 4.104 4.350 -0.000 0.000 0.191 283 E C 1.957 178.563 176.600 0.010 0.000 0.985 283 E CA 1.336 57.749 56.400 0.022 0.000 0.801 283 E CB -0.015 29.719 29.700 0.057 0.000 0.750 283 E HN 0.046 nan 8.360 nan 0.000 0.452 284 E N 0.626 120.865 120.200 0.064 0.000 2.150 284 E HA -0.109 4.241 4.350 -0.000 0.000 0.193 284 E C 1.767 178.398 176.600 0.052 0.000 0.985 284 E CA 1.384 57.841 56.400 0.095 0.000 0.814 284 E CB -0.319 29.513 29.700 0.220 0.000 0.752 284 E HN 0.388 nan 8.360 nan 0.000 0.466 285 A N 0.529 123.363 122.820 0.024 0.000 1.883 285 A HA -0.267 4.053 4.320 -0.000 0.000 0.217 285 A C 2.241 179.859 177.584 0.058 0.000 1.186 285 A CA 1.775 53.829 52.037 0.029 0.000 0.624 285 A CB -0.707 18.226 19.000 -0.111 0.000 0.822 285 A HN 0.391 nan 8.150 nan 0.000 0.444 286 Q N -0.458 119.385 119.800 0.072 0.000 2.077 286 Q HA -0.165 4.175 4.340 -0.000 0.000 0.206 286 Q C 2.140 178.108 176.000 -0.054 0.000 0.989 286 Q CA 2.125 57.937 55.803 0.016 0.000 0.853 286 Q CB -0.271 28.436 28.738 -0.051 0.000 0.907 286 Q HN 0.483 nan 8.270 nan 0.000 0.418 287 V N -0.303 119.543 119.914 -0.113 0.000 2.407 287 V HA -0.287 3.832 4.120 -0.000 0.000 0.248 287 V C 2.026 178.077 176.094 -0.071 0.000 1.055 287 V CA 1.405 63.592 62.300 -0.189 0.000 1.049 287 V CB -0.349 31.197 31.823 -0.462 0.000 0.662 287 V HN 0.478 nan 8.190 nan 0.000 0.455 288 C N 0.615 119.913 119.300 -0.004 0.000 2.613 288 C HA 0.250 4.710 4.460 -0.000 0.000 0.273 288 C C 1.315 176.318 174.990 0.021 0.000 1.304 288 C CA -0.485 58.554 59.018 0.036 0.000 1.702 288 C CB -1.438 26.345 27.740 0.072 0.000 1.792 288 C HN 0.671 nan 8.230 nan 0.000 0.588 289 M N -0.570 119.035 119.600 0.008 0.000 2.360 289 M HA -0.139 4.341 4.480 -0.000 0.000 0.202 289 M C 0.389 176.709 176.300 0.033 0.000 0.390 289 M CA 0.789 56.092 55.300 0.005 0.000 0.470 289 M CB -2.412 30.179 32.600 -0.016 0.000 1.637 289 M HN 0.458 nan 8.290 nan 0.000 0.885 290 V N -4.400 115.551 119.914 0.062 0.000 3.172 290 V HA 0.225 4.345 4.120 -0.000 0.000 0.343 290 V C 1.664 177.815 176.094 0.095 0.000 1.429 290 V CA 0.277 62.623 62.300 0.075 0.000 1.149 290 V CB 0.016 31.886 31.823 0.078 0.000 1.106 290 V HN 0.587 nan 8.190 nan 0.000 0.526 291 H N 3.279 122.356 119.070 0.013 0.000 2.387 291 H HA -0.153 4.403 4.556 -0.000 0.000 0.299 291 H C 1.812 177.166 175.328 0.043 0.000 1.090 291 H CA 2.458 58.508 56.048 0.004 0.000 1.332 291 H CB 0.112 29.851 29.762 -0.038 0.000 1.386 291 H HN 0.788 nan 8.280 nan 0.000 0.516 292 D N 0.284 120.779 120.400 0.158 0.000 2.310 292 D HA -0.116 4.524 4.640 -0.000 0.000 0.212 292 D C 1.874 178.204 176.300 0.049 0.000 0.965 292 D CA 0.420 54.484 54.000 0.106 0.000 0.879 292 D CB -0.418 40.434 40.800 0.086 0.000 0.921 292 D HN 0.415 nan 8.370 nan 0.000 0.510 293 L N -0.496 120.755 121.223 0.047 0.000 2.616 293 L HA 0.095 4.435 4.340 -0.000 0.000 0.229 293 L C 2.367 179.262 176.870 0.041 0.000 1.110 293 L CA -0.260 54.604 54.840 0.040 0.000 0.884 293 L CB -0.407 41.681 42.059 0.048 0.000 1.115 293 L HN 0.082 nan 8.230 nan 0.000 0.481 294 H N 1.946 120.958 119.070 -0.097 0.000 2.292 294 H HA -0.259 4.297 4.556 -0.000 0.000 0.292 294 H C 1.530 176.821 175.328 -0.062 0.000 1.100 294 H CA 2.015 57.997 56.048 -0.109 0.000 1.238 294 H CB 0.351 29.970 29.762 -0.237 0.000 1.355 294 H HN 0.289 nan 8.280 nan 0.000 0.484 295 K N -0.589 119.739 120.400 -0.120 0.000 2.504 295 K HA -0.022 4.298 4.320 -0.000 0.000 0.195 295 K C 1.701 178.244 176.600 -0.096 0.000 1.036 295 K CA 1.073 57.272 56.287 -0.147 0.000 0.984 295 K CB 0.330 32.789 32.500 -0.068 0.000 0.788 295 K HN 0.234 nan 8.250 nan 0.000 0.488 296 T N 0.773 115.291 114.554 -0.060 0.000 3.037 296 T HA 0.163 4.513 4.350 -0.000 0.000 0.252 296 T C 0.489 175.174 174.700 -0.024 0.000 1.073 296 T CA -0.126 61.956 62.100 -0.030 0.000 1.091 296 T CB 0.184 69.049 68.868 -0.006 0.000 0.935 296 T HN 0.037 nan 8.240 nan 0.000 0.488 297 L N 3.587 124.790 121.223 -0.033 0.000 2.513 297 L HA 0.169 4.509 4.340 -0.000 0.000 0.272 297 L C 1.110 177.974 176.870 -0.010 0.000 1.187 297 L CA -0.178 54.659 54.840 -0.004 0.000 0.895 297 L CB 0.054 42.119 42.059 0.010 0.000 1.147 297 L HN 0.275 nan 8.230 nan 0.000 0.483 298 T N -0.051 114.510 114.554 0.013 0.000 2.936 298 T HA 0.349 4.699 4.350 -0.000 0.000 0.282 298 T C -1.905 172.812 174.700 0.028 0.000 1.003 298 T CA -2.012 60.095 62.100 0.013 0.000 1.005 298 T CB 1.689 70.566 68.868 0.016 0.000 1.097 298 T HN 0.261 nan 8.240 nan 0.000 0.532 299 P HA -0.108 nan 4.420 nan 0.000 0.216 299 P C 1.647 178.978 177.300 0.051 0.000 1.154 299 P CA 0.527 63.648 63.100 0.035 0.000 0.865 299 P CB -0.047 31.668 31.700 0.025 0.000 0.789 300 L N -0.577 120.675 121.223 0.048 0.000 2.046 300 L HA -0.085 4.255 4.340 -0.000 0.000 0.208 300 L C 2.214 179.146 176.870 0.103 0.000 1.077 300 L CA 2.087 56.965 54.840 0.064 0.000 0.747 300 L CB -1.490 40.596 42.059 0.044 0.000 0.896 300 L HN -0.123 nan 8.230 nan 0.000 0.432 301 A N -1.468 121.408 122.820 0.094 0.000 1.933 301 A HA -0.171 4.149 4.320 -0.000 0.000 0.218 301 A C 2.361 180.027 177.584 0.137 0.000 1.175 301 A CA 1.862 53.976 52.037 0.128 0.000 0.628 301 A CB -0.917 18.139 19.000 0.093 0.000 0.814 301 A HN 0.532 nan 8.150 nan 0.000 0.444 302 S N 0.140 115.900 115.700 0.101 0.000 2.359 302 S HA -0.121 4.349 4.470 -0.000 0.000 0.224 302 S C 2.337 176.999 174.600 0.103 0.000 1.035 302 S CA 1.350 59.609 58.200 0.099 0.000 1.018 302 S CB -0.586 62.664 63.200 0.084 0.000 0.876 302 S HN 0.826 nan 8.310 nan 0.000 0.448 303 A N 0.728 123.612 122.820 0.107 0.000 1.883 303 A HA -0.174 4.146 4.320 -0.000 0.000 0.217 303 A C 2.015 179.682 177.584 0.139 0.000 1.186 303 A CA 1.889 53.992 52.037 0.111 0.000 0.624 303 A CB -1.078 17.983 19.000 0.103 0.000 0.822 303 A HN 0.563 nan 8.150 nan 0.000 0.444 304 Y N 0.603 120.945 120.300 0.070 0.000 2.181 304 Y HA -0.069 4.480 4.550 -0.000 0.000 0.288 304 Y C 2.699 178.653 175.900 0.089 0.000 1.146 304 Y CA 1.020 59.167 58.100 0.078 0.000 1.164 304 Y CB -0.725 37.776 38.460 0.068 0.000 0.982 304 Y HN 0.319 nan 8.280 nan 0.000 0.515 305 A N 0.635 123.417 122.820 -0.063 0.000 1.883 305 A HA -0.238 4.082 4.320 -0.000 0.000 0.217 305 A C 2.358 179.888 177.584 -0.090 0.000 1.186 305 A CA 2.056 54.030 52.037 -0.105 0.000 0.624 305 A CB -0.667 18.355 19.000 0.037 0.000 0.822 305 A HN 0.534 nan 8.150 nan 0.000 0.444 306 R N -0.742 119.759 120.500 0.001 0.000 2.096 306 R HA -0.095 4.245 4.340 -0.000 0.000 0.235 306 R C 2.670 178.984 176.300 0.023 0.000 1.127 306 R CA 1.412 57.552 56.100 0.066 0.000 0.968 306 R CB -0.396 29.962 30.300 0.097 0.000 0.861 306 R HN 0.605 nan 8.270 nan 0.000 0.440 307 S N 0.913 116.587 115.700 -0.044 0.000 2.345 307 S HA -0.189 4.281 4.470 -0.000 0.000 0.220 307 S C 2.047 176.602 174.600 -0.076 0.000 1.031 307 S CA 1.307 59.490 58.200 -0.029 0.000 0.996 307 S CB -0.055 63.167 63.200 0.037 0.000 0.882 307 S HN 0.309 nan 8.310 nan 0.000 0.445 308 R N 0.061 120.385 120.500 -0.294 0.000 2.235 308 R HA 0.074 4.414 4.340 -0.000 0.000 0.213 308 R C 2.106 178.378 176.300 -0.047 0.000 1.059 308 R CA 1.221 57.197 56.100 -0.206 0.000 0.997 308 R CB -0.757 29.283 30.300 -0.433 0.000 0.884 308 R HN 0.485 nan 8.270 nan 0.000 0.462 309 G N -0.375 108.419 108.800 -0.010 0.000 2.572 309 G HA2 -0.090 3.870 3.960 -0.000 0.000 0.216 309 G HA3 -0.090 3.870 3.960 -0.000 0.000 0.216 309 G C 1.387 176.425 174.900 0.230 0.000 1.133 309 G CA 0.406 45.572 45.100 0.110 0.000 0.791 309 G HN 0.403 nan 8.290 nan 0.000 0.538 310 A N 0.243 123.175 122.820 0.187 0.000 1.859 310 A HA -0.011 4.308 4.320 -0.000 0.000 0.217 310 A C 1.129 178.857 177.584 0.240 0.000 1.198 310 A CA 1.730 53.889 52.037 0.203 0.000 0.629 310 A CB -0.118 18.927 19.000 0.075 0.000 0.830 310 A HN 0.270 nan 8.150 nan 0.000 0.446 311 D N -2.292 118.210 120.400 0.169 0.000 2.330 311 D HA 0.316 4.955 4.640 -0.000 0.000 0.249 311 D C 0.794 177.181 176.300 0.144 0.000 1.306 311 D CA -0.471 53.624 54.000 0.159 0.000 0.956 311 D CB 0.483 41.363 40.800 0.132 0.000 1.261 311 D HN 0.074 nan 8.370 nan 0.000 0.544 312 R N 2.298 122.884 120.500 0.142 0.000 2.152 312 R HA 0.012 4.352 4.340 -0.000 0.000 0.232 312 R C 1.614 178.014 176.300 0.167 0.000 1.117 312 R CA 0.767 56.949 56.100 0.137 0.000 0.981 312 R CB 0.065 30.433 30.300 0.114 0.000 0.870 312 R HN 0.514 nan 8.270 nan 0.000 0.451 313 M N -0.356 119.331 119.600 0.144 0.000 2.447 313 M HA -0.018 4.462 4.480 -0.000 0.000 0.264 313 M C 1.720 178.114 176.300 0.157 0.000 1.095 313 M CA 1.055 56.433 55.300 0.130 0.000 1.125 313 M CB 0.224 32.872 32.600 0.081 0.000 1.389 313 M HN -0.030 nan 8.290 nan 0.000 0.459 314 S N 0.006 115.800 115.700 0.157 0.000 2.439 314 S HA -0.025 4.445 4.470 -0.000 0.000 0.224 314 S C 1.841 176.557 174.600 0.193 0.000 1.029 314 S CA 1.126 59.424 58.200 0.163 0.000 0.946 314 S CB -0.032 63.245 63.200 0.129 0.000 0.797 314 S HN 0.556 nan 8.310 nan 0.000 0.504 315 S N 0.956 116.771 115.700 0.192 0.000 2.603 315 S HA 0.152 4.622 4.470 -0.000 0.000 0.220 315 S C 0.306 175.038 174.600 0.220 0.000 0.967 315 S CA -0.418 57.898 58.200 0.194 0.000 0.920 315 S CB -0.690 62.602 63.200 0.152 0.000 0.773 315 S HN 0.331 nan 8.310 nan 0.000 0.529 316 F N 3.549 123.561 119.950 0.104 0.000 2.538 316 F HA 0.434 4.961 4.527 -0.000 0.000 0.382 316 F C 1.329 177.191 175.800 0.103 0.000 1.069 316 F CA 0.707 58.764 58.000 0.095 0.000 1.138 316 F CB -0.394 38.654 39.000 0.080 0.000 1.068 316 F HN 0.368 nan 8.300 nan 0.000 0.556 317 G N 3.955 112.614 108.800 -0.234 0.000 2.171 317 G HA2 -0.260 3.699 3.960 -0.000 0.000 0.238 317 G HA3 -0.260 3.699 3.960 -0.000 0.000 0.238 317 G C -0.355 174.593 174.900 0.080 0.000 1.039 317 G CA 0.015 45.066 45.100 -0.082 0.000 0.759 317 G HN 0.987 nan 8.290 nan 0.000 0.501 318 D N -0.666 119.801 120.400 0.111 0.000 2.358 318 D HA 0.509 5.149 4.640 -0.000 0.000 0.244 318 D C -0.125 176.296 176.300 0.203 0.000 1.163 318 D CA -0.912 53.208 54.000 0.200 0.000 0.945 318 D CB 0.880 41.822 40.800 0.237 0.000 1.152 318 D HN 0.067 nan 8.370 nan 0.000 0.451 319 F N 0.233 120.279 119.950 0.161 0.000 2.415 319 F HA 0.416 4.942 4.527 -0.000 0.000 0.348 319 F C -0.264 175.622 175.800 0.143 0.000 1.119 319 F CA -0.977 57.088 58.000 0.108 0.000 1.069 319 F CB 0.746 39.785 39.000 0.065 0.000 1.124 319 F HN 0.203 nan 8.300 nan 0.000 0.472 320 I N 5.251 125.791 120.570 -0.049 0.000 2.385 320 I HA 0.559 4.729 4.170 -0.000 0.000 0.294 320 I C -0.174 176.019 176.117 0.126 0.000 0.988 320 I CA -0.581 60.761 61.300 0.070 0.000 1.265 320 I CB 1.424 39.335 38.000 -0.148 0.000 1.388 320 I HN 0.665 nan 8.210 nan 0.000 0.480 321 A N 7.435 130.358 122.820 0.171 0.000 2.350 321 A HA 0.879 5.199 4.320 -0.000 0.000 0.324 321 A C -0.884 176.784 177.584 0.141 0.000 1.118 321 A CA -0.539 51.606 52.037 0.179 0.000 0.783 321 A CB 0.977 20.068 19.000 0.153 0.000 1.236 321 A HN 0.674 nan 8.150 nan 0.000 0.457 322 L N 2.221 123.535 121.223 0.151 0.000 2.362 322 L HA 0.348 4.688 4.340 -0.000 0.000 0.275 322 L C 1.444 178.394 176.870 0.134 0.000 0.998 322 L CA -0.432 54.466 54.840 0.096 0.000 0.820 322 L CB 2.221 44.295 42.059 0.026 0.000 1.270 322 L HN 0.949 nan 8.230 nan 0.000 0.415 323 S N -0.164 115.552 115.700 0.027 0.000 2.453 323 S HA 0.004 4.474 4.470 -0.000 0.000 0.231 323 S C 0.313 174.939 174.600 0.043 0.000 1.005 323 S CA 0.482 58.651 58.200 -0.053 0.000 0.949 323 S CB -0.103 63.023 63.200 -0.123 0.000 0.774 323 S HN 0.687 nan 8.310 nan 0.000 0.510 324 D N -0.001 120.419 120.400 0.034 0.000 2.414 324 D HA 0.532 5.171 4.640 -0.000 0.000 0.241 324 D C -0.542 175.733 176.300 -0.042 0.000 1.008 324 D CA -0.789 53.217 54.000 0.011 0.000 1.001 324 D CB 1.027 41.827 40.800 0.000 0.000 1.277 324 D HN 0.120 nan 8.370 nan 0.000 0.538 325 I N 1.146 121.676 120.570 -0.066 0.000 2.741 325 I HA -0.080 4.089 4.170 -0.000 0.000 0.288 325 I C 0.560 176.603 176.117 -0.123 0.000 1.192 325 I CA 0.110 61.328 61.300 -0.137 0.000 1.426 325 I CB 0.123 38.072 38.000 -0.085 0.000 1.367 325 I HN 0.273 nan 8.210 nan 0.000 0.563 326 C N 7.837 127.010 119.300 -0.211 0.000 2.648 326 C HA 0.137 4.597 4.460 -0.000 0.000 0.415 326 C C 0.324 175.316 174.990 0.003 0.000 1.366 326 C CA -0.529 58.439 59.018 -0.082 0.000 1.756 326 C CB -1.056 26.666 27.740 -0.029 0.000 2.549 326 C HN 0.863 nan 8.230 nan 0.000 0.597 327 D N 3.887 124.297 120.400 0.016 0.000 2.487 327 D HA 0.330 4.970 4.640 -0.000 0.000 0.262 327 D C 0.876 177.195 176.300 0.032 0.000 1.130 327 D CA -0.757 53.257 54.000 0.024 0.000 1.038 327 D CB 0.505 41.315 40.800 0.017 0.000 1.142 327 D HN 0.240 nan 8.370 nan 0.000 0.575 328 V N -0.009 119.920 119.914 0.025 0.000 2.261 328 V HA -0.113 4.007 4.120 -0.000 0.000 0.246 328 V C -0.920 175.187 176.094 0.021 0.000 1.047 328 V CA 1.795 64.108 62.300 0.021 0.000 1.015 328 V CB -1.645 30.186 31.823 0.014 0.000 0.642 328 V HN 0.550 nan 8.190 nan 0.000 0.446 329 P HA -0.156 nan 4.420 nan 0.000 0.215 329 P C 1.839 179.167 177.300 0.048 0.000 1.157 329 P CA 2.042 65.161 63.100 0.032 0.000 0.874 329 P CB -0.230 31.489 31.700 0.031 0.000 0.790 330 T N -0.670 113.913 114.554 0.050 0.000 2.708 330 T HA -0.130 4.220 4.350 -0.000 0.000 0.266 330 T C 1.913 176.622 174.700 0.015 0.000 1.037 330 T CA 1.593 63.727 62.100 0.057 0.000 1.146 330 T CB -1.057 67.834 68.868 0.038 0.000 0.865 330 T HN 0.051 nan 8.240 nan 0.000 0.435 331 A N 1.769 124.595 122.820 0.010 0.000 1.978 331 A HA -0.172 4.148 4.320 -0.000 0.000 0.220 331 A C 2.249 179.816 177.584 -0.028 0.000 1.170 331 A CA 1.632 53.662 52.037 -0.012 0.000 0.636 331 A CB -0.446 18.559 19.000 0.009 0.000 0.810 331 A HN 0.475 nan 8.150 nan 0.000 0.448 332 K N -0.639 119.760 120.400 -0.002 0.000 2.103 332 K HA 0.062 4.382 4.320 -0.000 0.000 0.204 332 K C 1.758 178.365 176.600 0.012 0.000 1.052 332 K CA 1.188 57.473 56.287 -0.003 0.000 0.945 332 K CB -0.261 32.244 32.500 0.008 0.000 0.722 332 K HN 0.553 nan 8.250 nan 0.000 0.443 333 I N 1.062 121.665 120.570 0.054 0.000 2.163 333 I HA -0.277 3.893 4.170 -0.000 0.000 0.240 333 I C 2.245 178.420 176.117 0.098 0.000 1.081 333 I CA 1.315 62.682 61.300 0.111 0.000 1.353 333 I CB -0.319 37.819 38.000 0.229 0.000 1.054 333 I HN 0.079 nan 8.210 nan 0.000 0.407 334 I N 0.104 120.691 120.570 0.028 0.000 2.163 334 I HA -0.330 3.840 4.170 -0.000 0.000 0.243 334 I C 2.831 178.858 176.117 -0.150 0.000 1.085 334 I CA 1.386 62.640 61.300 -0.076 0.000 1.347 334 I CB -0.447 37.429 38.000 -0.208 0.000 1.044 334 I HN 0.238 nan 8.210 nan 0.000 0.408 335 S N 1.424 117.033 115.700 -0.152 0.000 2.378 335 S HA -0.274 4.196 4.470 -0.000 0.000 0.229 335 S C 2.104 176.620 174.600 -0.140 0.000 1.052 335 S CA 2.166 60.260 58.200 -0.177 0.000 1.084 335 S CB -0.307 62.824 63.200 -0.114 0.000 0.950 335 S HN 0.522 nan 8.310 nan 0.000 0.440 336 R N 0.079 120.534 120.500 -0.075 0.000 2.310 336 R HA 0.209 4.549 4.340 -0.000 0.000 0.202 336 R C -0.187 176.087 176.300 -0.044 0.000 0.933 336 R CA 0.181 56.248 56.100 -0.054 0.000 1.054 336 R CB -0.051 30.233 30.300 -0.028 0.000 0.985 336 R HN 0.311 nan 8.270 nan 0.000 0.489 337 E N 1.426 121.600 120.200 -0.044 0.000 2.227 337 E HA 0.248 4.598 4.350 -0.000 0.000 0.268 337 E C -0.633 175.906 176.600 -0.102 0.000 0.990 337 E CA -1.058 55.326 56.400 -0.028 0.000 0.856 337 E CB 2.451 32.185 29.700 0.058 0.000 1.159 337 E HN -0.126 nan 8.360 nan 0.000 0.401 338 V N 1.691 121.509 119.914 -0.160 0.000 2.427 338 V HA 0.271 4.391 4.120 -0.000 0.000 0.268 338 V C 0.389 176.332 176.094 -0.252 0.000 1.046 338 V CA 0.048 62.158 62.300 -0.317 0.000 0.970 338 V CB 0.725 32.114 31.823 -0.723 0.000 1.001 338 V HN 0.567 nan 8.190 nan 0.000 0.476 339 S N 2.520 118.145 115.700 -0.125 0.000 2.541 339 S HA 0.404 4.874 4.470 -0.000 0.000 0.271 339 S C 0.082 174.760 174.600 0.130 0.000 1.133 339 S CA -0.682 57.530 58.200 0.021 0.000 0.876 339 S CB 2.117 65.371 63.200 0.089 0.000 1.105 339 S HN 0.730 nan 8.310 nan 0.000 0.470 340 D N 1.898 122.332 120.400 0.057 0.000 2.354 340 D HA 0.323 4.963 4.640 -0.000 0.000 0.209 340 D C 0.813 176.950 176.300 -0.271 0.000 1.015 340 D CA 1.107 55.119 54.000 0.020 0.000 0.867 340 D CB 0.772 41.643 40.800 0.118 0.000 0.933 340 D HN 0.811 nan 8.370 nan 0.000 0.520 341 G N -0.585 107.817 108.800 -0.663 0.000 2.320 341 G HA2 0.329 4.289 3.960 -0.000 0.000 0.297 341 G HA3 0.329 4.289 3.960 -0.000 0.000 0.297 341 G C -2.110 171.927 174.900 -1.439 0.000 1.344 341 G CA -0.381 43.885 45.100 -1.391 0.000 0.851 341 G HN 0.047 nan 8.290 nan 0.000 0.567 342 V N -0.971 118.288 119.914 -1.092 0.000 2.971 342 V HA 0.858 4.978 4.120 -0.000 0.000 0.309 342 V C -1.153 174.873 176.094 -0.112 0.000 1.130 342 V CA -0.590 61.406 62.300 -0.507 0.000 0.964 342 V CB 1.891 33.636 31.823 -0.132 0.000 1.029 342 V HN 1.677 nan 8.190 nan 0.000 0.427 343 V N 5.621 125.606 119.914 0.119 0.000 2.656 343 V HA 1.035 5.155 4.120 -0.000 0.000 0.307 343 V C -0.236 175.925 176.094 0.112 0.000 1.051 343 V CA 0.456 62.855 62.300 0.165 0.000 0.893 343 V CB 1.571 33.505 31.823 0.186 0.000 0.999 343 V HN 1.764 nan 8.190 nan 0.000 0.426 344 A N 6.792 129.597 122.820 -0.026 0.000 2.609 344 A HA 0.872 5.192 4.320 -0.000 0.000 0.291 344 A C -2.711 174.709 177.584 -0.273 0.000 1.096 344 A CA -0.903 51.051 52.037 -0.139 0.000 0.684 344 A CB 1.875 20.595 19.000 -0.467 0.000 1.282 344 A HN 0.547 nan 8.150 nan 0.000 0.412 345 P HA 0.177 nan 4.420 nan 0.000 0.233 345 P C 0.689 177.881 177.300 -0.180 0.000 1.167 345 P CA 1.583 64.593 63.100 -0.150 0.000 0.770 345 P CB 0.367 32.105 31.700 0.064 0.000 0.837 346 G N -1.401 107.196 108.800 -0.339 0.000 2.368 346 G HA2 0.465 4.425 3.960 -0.000 0.000 0.293 346 G HA3 0.465 4.425 3.960 -0.000 0.000 0.293 346 G C -2.377 172.142 174.900 -0.635 0.000 1.467 346 G CA -0.633 44.295 45.100 -0.287 0.000 0.804 346 G HN -0.109 nan 8.290 nan 0.000 0.535 347 Y N 0.379 120.669 120.300 -0.017 0.000 2.386 347 Y HA 0.438 4.988 4.550 -0.000 0.000 0.334 347 Y C 0.485 176.379 175.900 -0.011 0.000 1.002 347 Y CA -0.910 57.181 58.100 -0.014 0.000 1.068 347 Y CB 1.982 40.430 38.460 -0.021 0.000 1.203 347 Y HN 0.546 nan 8.280 nan 0.000 0.443 348 E N 1.409 121.671 120.200 0.102 0.000 2.418 348 E HA -0.078 4.272 4.350 -0.000 0.000 0.261 348 E C 0.492 177.140 176.600 0.081 0.000 1.070 348 E CA 0.034 56.474 56.400 0.067 0.000 0.931 348 E CB 0.890 30.616 29.700 0.043 0.000 0.954 348 E HN 0.676 nan 8.360 nan 0.000 0.439 349 E N 2.276 122.505 120.200 0.049 0.000 2.106 349 E HA -0.231 4.119 4.350 -0.000 0.000 0.192 349 E C 1.688 178.302 176.600 0.024 0.000 0.984 349 E CA 1.555 57.976 56.400 0.035 0.000 0.806 349 E CB 0.050 29.761 29.700 0.019 0.000 0.750 349 E HN 0.554 nan 8.360 nan 0.000 0.458 350 E N -0.075 120.138 120.200 0.022 0.000 2.106 350 E HA -0.065 4.285 4.350 -0.000 0.000 0.192 350 E C 1.853 178.463 176.600 0.016 0.000 0.984 350 E CA 1.422 57.830 56.400 0.013 0.000 0.806 350 E CB -0.485 29.221 29.700 0.009 0.000 0.750 350 E HN 0.248 nan 8.360 nan 0.000 0.458 351 A N 0.830 123.673 122.820 0.040 0.000 1.883 351 A HA -0.152 4.168 4.320 -0.000 0.000 0.217 351 A C 2.219 179.828 177.584 0.042 0.000 1.186 351 A CA 1.603 53.675 52.037 0.058 0.000 0.624 351 A CB -1.001 18.064 19.000 0.108 0.000 0.822 351 A HN 0.407 nan 8.150 nan 0.000 0.444 352 L N 0.050 121.300 121.223 0.045 0.000 2.043 352 L HA -0.195 4.145 4.340 -0.000 0.000 0.212 352 L C 2.341 179.169 176.870 -0.071 0.000 1.075 352 L CA 2.698 57.501 54.840 -0.062 0.000 0.752 352 L CB -0.593 41.436 42.059 -0.050 0.000 0.891 352 L HN 0.508 nan 8.230 nan 0.000 0.432 353 K N -0.554 119.824 120.400 -0.036 0.000 2.057 353 K HA -0.177 4.143 4.320 -0.000 0.000 0.207 353 K C 2.123 178.697 176.600 -0.042 0.000 1.049 353 K CA 1.897 58.163 56.287 -0.036 0.000 0.931 353 K CB -0.230 32.257 32.500 -0.021 0.000 0.714 353 K HN 0.413 nan 8.250 nan 0.000 0.440 354 I N 1.055 121.602 120.570 -0.039 0.000 2.179 354 I HA -0.301 3.869 4.170 -0.000 0.000 0.242 354 I C 2.092 178.159 176.117 -0.082 0.000 1.088 354 I CA 1.181 62.449 61.300 -0.052 0.000 1.357 354 I CB -0.161 37.814 38.000 -0.042 0.000 1.051 354 I HN 0.185 nan 8.210 nan 0.000 0.409 355 L N -0.563 120.611 121.223 -0.082 0.000 2.156 355 L HA -0.103 4.237 4.340 -0.000 0.000 0.208 355 L C 2.597 179.438 176.870 -0.048 0.000 1.095 355 L CA 0.737 55.518 54.840 -0.099 0.000 0.770 355 L CB -0.494 41.535 42.059 -0.050 0.000 0.914 355 L HN 0.119 nan 8.230 nan 0.000 0.439 356 S N 0.467 116.133 115.700 -0.057 0.000 2.383 356 S HA -0.166 4.304 4.470 -0.000 0.000 0.227 356 S C 1.879 176.462 174.600 -0.028 0.000 1.026 356 S CA 1.479 59.655 58.200 -0.040 0.000 0.981 356 S CB -0.124 63.039 63.200 -0.062 0.000 0.818 356 S HN 0.503 nan 8.310 nan 0.000 0.472 357 K N 1.648 122.020 120.400 -0.047 0.000 2.365 357 K HA 0.043 4.363 4.320 -0.000 0.000 0.199 357 K C 0.785 177.350 176.600 -0.058 0.000 1.045 357 K CA 0.590 56.849 56.287 -0.046 0.000 0.962 357 K CB -0.058 32.414 32.500 -0.047 0.000 0.759 357 K HN 0.099 nan 8.250 nan 0.000 0.469 358 K N 2.031 122.372 120.400 -0.099 0.000 2.469 358 K HA -0.067 4.253 4.320 -0.000 0.000 0.274 358 K C -0.494 176.074 176.600 -0.054 0.000 0.983 358 K CA 0.465 56.655 56.287 -0.163 0.000 0.974 358 K CB 0.287 32.519 32.500 -0.447 0.000 0.913 358 K HN 0.111 nan 8.250 nan 0.000 0.493 359 K N 2.757 123.123 120.400 -0.057 0.000 3.077 359 K HA -0.316 4.004 4.320 -0.000 0.000 0.264 359 K C -0.590 176.016 176.600 0.010 0.000 1.008 359 K CA 0.778 57.068 56.287 0.006 0.000 0.740 359 K CB -1.256 31.291 32.500 0.078 0.000 1.273 359 K HN 0.855 nan 8.250 nan 0.000 0.477 360 N N -1.700 116.995 118.700 -0.009 0.000 2.741 360 N HA -0.215 4.525 4.740 -0.000 0.000 0.250 360 N C 0.680 176.189 175.510 -0.002 0.000 1.115 360 N CA 1.896 54.943 53.050 -0.005 0.000 0.724 360 N CB -1.287 37.202 38.487 0.002 0.000 1.090 360 N HN 0.917 nan 8.380 nan 0.000 0.558 361 G N -2.238 106.561 108.800 -0.001 0.000 2.176 361 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.232 361 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.232 361 G C 0.764 175.671 174.900 0.012 0.000 0.986 361 G CA 0.548 45.648 45.100 -0.000 0.000 0.643 361 G HN 0.878 nan 8.290 nan 0.000 0.522 362 G N -0.650 108.168 108.800 0.030 0.000 3.277 362 G HA2 0.407 4.367 3.960 -0.000 0.000 0.243 362 G HA3 0.407 4.367 3.960 -0.000 0.000 0.243 362 G C 0.368 175.296 174.900 0.047 0.000 1.107 362 G CA 0.090 45.205 45.100 0.026 0.000 0.771 362 G HN 0.609 nan 8.290 nan 0.000 0.544 363 Y N 1.015 121.271 120.300 -0.072 0.000 2.721 363 Y HA 0.179 4.729 4.550 -0.000 0.000 0.329 363 Y C 0.895 176.733 175.900 -0.103 0.000 1.211 363 Y CA -1.317 56.727 58.100 -0.093 0.000 1.512 363 Y CB 0.327 38.718 38.460 -0.115 0.000 1.249 363 Y HN 0.046 nan 8.280 nan 0.000 0.549 364 C N 8.270 127.250 119.300 -0.534 0.000 2.677 364 C HA 0.399 4.859 4.460 -0.000 0.000 0.398 364 C C -0.403 174.235 174.990 -0.587 0.000 1.378 364 C CA -0.585 58.167 59.018 -0.444 0.000 1.543 364 C CB -2.500 25.083 27.740 -0.261 0.000 2.356 364 C HN 0.580 nan 8.230 nan 0.000 0.609 365 V N 8.784 128.498 119.914 -0.335 0.000 2.409 365 V HA 0.498 4.618 4.120 -0.000 0.000 0.291 365 V C -0.014 175.983 176.094 -0.163 0.000 1.020 365 V CA -0.319 61.800 62.300 -0.302 0.000 0.848 365 V CB 1.301 32.894 31.823 -0.384 0.000 0.990 365 V HN 0.717 nan 8.190 nan 0.000 0.430 366 L N 4.244 125.446 121.223 -0.036 0.000 2.354 366 L HA 0.681 5.021 4.340 -0.000 0.000 0.269 366 L C -0.474 176.446 176.870 0.084 0.000 1.005 366 L CA -0.560 54.285 54.840 0.009 0.000 0.819 366 L CB 2.237 44.312 42.059 0.027 0.000 1.311 366 L HN 0.615 nan 8.230 nan 0.000 0.423 367 Q N 2.545 122.348 119.800 0.005 0.000 2.333 367 Q HA 0.630 4.970 4.340 -0.000 0.000 0.267 367 Q C -1.330 174.531 176.000 -0.232 0.000 1.012 367 Q CA -0.803 54.981 55.803 -0.032 0.000 0.824 367 Q CB 2.347 31.112 28.738 0.045 0.000 1.290 367 Q HN 0.580 nan 8.270 nan 0.000 0.449 368 M N 3.625 122.973 119.600 -0.420 0.000 2.253 368 M HA 0.286 4.766 4.480 -0.000 0.000 0.314 368 M C -1.433 174.570 176.300 -0.495 0.000 1.019 368 M CA -0.560 54.354 55.300 -0.644 0.000 0.932 368 M CB 1.623 33.435 32.600 -1.312 0.000 1.606 368 M HN 0.556 nan 8.290 nan 0.000 0.430 369 D N 6.792 127.009 120.400 -0.304 0.000 2.389 369 D HA 0.120 4.760 4.640 -0.000 0.000 0.263 369 D C -1.720 174.584 176.300 0.006 0.000 1.255 369 D CA -1.389 52.542 54.000 -0.113 0.000 0.914 369 D CB 1.105 41.873 40.800 -0.053 0.000 1.116 369 D HN 0.428 nan 8.370 nan 0.000 0.502 370 P HA -0.041 nan 4.420 nan 0.000 0.233 370 P C 0.359 177.805 177.300 0.244 0.000 1.167 370 P CA 0.377 63.676 63.100 0.333 0.000 0.770 370 P CB 0.451 32.325 31.700 0.291 0.000 0.837 371 N N -1.071 117.727 118.700 0.163 0.000 2.353 371 N HA -0.038 4.702 4.740 -0.000 0.000 0.185 371 N C 0.379 175.966 175.510 0.129 0.000 1.098 371 N CA -0.094 53.026 53.050 0.118 0.000 0.872 371 N CB -0.379 38.154 38.487 0.075 0.000 0.970 371 N HN 0.293 nan 8.380 nan 0.000 0.467 372 Y N 2.532 122.864 120.300 0.054 0.000 2.442 372 Y HA 0.077 4.627 4.550 -0.000 0.000 0.330 372 Y C -0.245 175.694 175.900 0.065 0.000 1.129 372 Y CA -0.019 58.105 58.100 0.038 0.000 1.365 372 Y CB 0.494 38.957 38.460 0.005 0.000 1.233 372 Y HN -0.149 nan 8.280 nan 0.000 0.529 373 E N 8.537 128.346 120.200 -0.652 0.000 2.210 373 E HA 0.316 4.666 4.350 -0.000 0.000 0.266 373 E C -2.564 173.525 176.600 -0.851 0.000 0.883 373 E CA -2.223 53.843 56.400 -0.558 0.000 0.761 373 E CB 1.432 30.987 29.700 -0.241 0.000 1.156 373 E HN 0.552 nan 8.360 nan 0.000 0.412 374 P HA 0.158 nan 4.420 nan 0.000 0.274 374 P C -0.367 176.843 177.300 -0.149 0.000 1.237 374 P CA -0.452 62.471 63.100 -0.295 0.000 0.793 374 P CB 0.910 32.600 31.700 -0.017 0.000 0.977 375 D N 0.652 121.017 120.400 -0.059 0.000 2.362 375 D HA -0.018 4.622 4.640 -0.000 0.000 0.238 375 D C 1.157 177.449 176.300 -0.013 0.000 1.212 375 D CA 0.114 54.097 54.000 -0.028 0.000 0.902 375 D CB 0.206 41.009 40.800 0.004 0.000 1.180 375 D HN 0.311 nan 8.370 nan 0.000 0.445 376 D N -0.326 120.069 120.400 -0.009 0.000 2.149 376 D HA -0.059 4.581 4.640 -0.000 0.000 0.201 376 D C 0.157 176.464 176.300 0.013 0.000 0.972 376 D CA 0.904 54.903 54.000 -0.001 0.000 0.835 376 D CB 0.109 40.906 40.800 -0.004 0.000 0.966 376 D HN 0.267 nan 8.370 nan 0.000 0.476 377 N N 1.556 120.265 118.700 0.016 0.000 2.498 377 N HA 0.146 4.886 4.740 -0.000 0.000 0.287 377 N C -0.177 175.351 175.510 0.031 0.000 1.097 377 N CA -0.046 53.018 53.050 0.023 0.000 0.973 377 N CB 1.780 40.279 38.487 0.020 0.000 1.153 377 N HN 0.243 nan 8.380 nan 0.000 0.472 378 E N 1.703 121.925 120.200 0.037 0.000 2.248 378 E HA 0.519 4.869 4.350 -0.000 0.000 0.267 378 E C -1.116 175.509 176.600 0.042 0.000 0.877 378 E CA -0.649 55.776 56.400 0.042 0.000 0.759 378 E CB 1.474 31.206 29.700 0.053 0.000 1.182 378 E HN 0.388 nan 8.360 nan 0.000 0.418 379 I N 2.853 123.447 120.570 0.040 0.000 2.474 379 I HA 0.458 4.628 4.170 -0.000 0.000 0.294 379 I C -0.186 175.959 176.117 0.046 0.000 1.005 379 I CA -1.034 60.292 61.300 0.043 0.000 1.113 379 I CB 1.720 39.746 38.000 0.043 0.000 1.289 379 I HN 0.547 nan 8.210 nan 0.000 0.436 380 R N 2.762 123.293 120.500 0.051 0.000 2.686 380 R HA 0.633 4.973 4.340 -0.000 0.000 0.286 380 R C -1.247 175.089 176.300 0.060 0.000 0.969 380 R CA -0.715 55.420 56.100 0.058 0.000 0.898 380 R CB 1.443 31.779 30.300 0.060 0.000 1.183 380 R HN 0.359 nan 8.270 nan 0.000 0.456 381 T N 3.360 117.954 114.554 0.067 0.000 2.817 381 T HA 0.300 4.650 4.350 -0.000 0.000 0.293 381 T C -0.739 174.005 174.700 0.075 0.000 0.964 381 T CA -0.320 61.820 62.100 0.066 0.000 1.085 381 T CB 0.611 69.518 68.868 0.065 0.000 0.921 381 T HN 0.324 nan 8.240 nan 0.000 0.502 382 L N 5.318 126.590 121.223 0.082 0.000 2.404 382 L HA 0.400 4.740 4.340 -0.000 0.000 0.272 382 L C -0.552 176.428 176.870 0.183 0.000 0.980 382 L CA -0.941 53.964 54.840 0.108 0.000 0.836 382 L CB 0.481 42.589 42.059 0.082 0.000 1.238 382 L HN 0.722 nan 8.230 nan 0.000 0.408 383 Y N 5.634 125.941 120.300 0.012 0.000 3.108 383 Y HA -0.154 4.396 4.550 -0.000 0.000 0.208 383 Y C 1.328 177.236 175.900 0.013 0.000 1.245 383 Y CA 1.534 59.640 58.100 0.010 0.000 1.171 383 Y CB -1.011 37.452 38.460 0.005 0.000 1.331 383 Y HN 1.121 nan 8.280 nan 0.000 0.534 384 G N -0.342 108.453 108.800 -0.008 0.000 2.184 384 G HA2 -0.302 3.657 3.960 -0.000 0.000 0.264 384 G HA3 -0.302 3.657 3.960 -0.000 0.000 0.264 384 G C 0.145 175.027 174.900 -0.031 0.000 0.975 384 G CA 0.314 45.375 45.100 -0.065 0.000 0.642 384 G HN 0.682 nan 8.290 nan 0.000 0.536 385 L N -0.688 120.544 121.223 0.014 0.000 2.330 385 L HA 0.723 5.063 4.340 -0.000 0.000 0.271 385 L C 0.079 176.975 176.870 0.043 0.000 1.013 385 L CA -1.191 53.666 54.840 0.028 0.000 0.816 385 L CB 1.719 43.805 42.059 0.046 0.000 1.287 385 L HN -0.025 nan 8.230 nan 0.000 0.435 386 Q N 2.098 121.921 119.800 0.038 0.000 2.314 386 Q HA 0.588 4.927 4.340 -0.000 0.000 0.259 386 Q C -1.153 174.872 176.000 0.042 0.000 0.951 386 Q CA 0.084 55.912 55.803 0.042 0.000 0.909 386 Q CB 1.928 30.689 28.738 0.039 0.000 1.236 386 Q HN 0.402 nan 8.270 nan 0.000 0.444 387 L N 2.959 124.209 121.223 0.045 0.000 2.313 387 L HA 0.604 4.944 4.340 -0.000 0.000 0.283 387 L C -0.696 176.199 176.870 0.042 0.000 1.013 387 L CA -0.473 54.393 54.840 0.043 0.000 0.816 387 L CB 1.321 43.407 42.059 0.044 0.000 1.236 387 L HN 0.518 nan 8.230 nan 0.000 0.419 388 M N 4.609 124.232 119.600 0.039 0.000 2.465 388 M HA 0.469 4.949 4.480 -0.000 0.000 0.316 388 M C -1.357 174.965 176.300 0.036 0.000 1.121 388 M CA -0.304 55.018 55.300 0.037 0.000 0.934 388 M CB 2.084 34.703 32.600 0.032 0.000 1.692 388 M HN 0.695 nan 8.290 nan 0.000 0.444 389 Q N 2.411 122.233 119.800 0.037 0.000 2.590 389 Q HA 0.462 4.802 4.340 -0.000 0.000 0.295 389 Q C -1.525 174.494 176.000 0.032 0.000 0.973 389 Q CA -1.281 54.543 55.803 0.035 0.000 0.768 389 Q CB 1.634 30.398 28.738 0.043 0.000 1.479 389 Q HN 0.573 nan 8.270 nan 0.000 0.419 390 K N 1.757 122.172 120.400 0.026 0.000 2.451 390 K HA 0.059 4.379 4.320 -0.000 0.000 0.280 390 K C -0.013 176.606 176.600 0.030 0.000 1.020 390 K CA -0.057 56.244 56.287 0.022 0.000 1.008 390 K CB 0.564 33.071 32.500 0.012 0.000 0.917 390 K HN 0.741 nan 8.250 nan 0.000 0.478 391 R N 2.428 122.949 120.500 0.034 0.000 2.774 391 R HA 0.001 4.341 4.340 -0.000 0.000 0.269 391 R C 0.024 176.344 176.300 0.033 0.000 1.068 391 R CA -0.396 55.733 56.100 0.048 0.000 1.180 391 R CB 0.199 30.534 30.300 0.059 0.000 1.077 391 R HN 0.396 nan 8.270 nan 0.000 0.513 392 N N 1.291 120.013 118.700 0.036 0.000 2.508 392 N HA 0.025 4.765 4.740 -0.000 0.000 0.253 392 N C -0.973 174.531 175.510 -0.009 0.000 1.145 392 N CA -0.178 52.870 53.050 -0.003 0.000 0.973 392 N CB 0.106 38.573 38.487 -0.035 0.000 1.305 392 N HN 0.513 nan 8.380 nan 0.000 0.506 393 N N 1.216 119.911 118.700 -0.008 0.000 2.251 393 N HA 0.097 4.837 4.740 -0.000 0.000 0.217 393 N C -0.286 175.209 175.510 -0.025 0.000 1.124 393 N CA -0.170 52.876 53.050 -0.006 0.000 0.843 393 N CB 0.417 38.902 38.487 -0.004 0.000 1.024 393 N HN 0.492 nan 8.380 nan 0.000 0.501 394 A N 0.699 123.492 122.820 -0.044 0.000 2.566 394 A HA 0.130 4.450 4.320 -0.000 0.000 0.245 394 A C 0.476 178.026 177.584 -0.056 0.000 1.056 394 A CA 0.111 52.113 52.037 -0.058 0.000 0.757 394 A CB 0.118 19.072 19.000 -0.077 0.000 0.979 394 A HN 0.034 nan 8.150 nan 0.000 0.508 395 V N 4.859 124.738 119.914 -0.058 0.000 2.432 395 V HA 0.200 4.320 4.120 -0.000 0.000 0.275 395 V C 0.184 176.228 176.094 -0.084 0.000 1.043 395 V CA -0.000 62.265 62.300 -0.057 0.000 0.925 395 V CB 0.953 32.743 31.823 -0.055 0.000 0.985 395 V HN 0.673 nan 8.190 nan 0.000 0.466 396 I N 6.473 126.997 120.570 -0.076 0.000 2.304 396 I HA 0.427 4.597 4.170 -0.000 0.000 0.291 396 I C -0.084 175.963 176.117 -0.117 0.000 1.018 396 I CA 0.286 61.521 61.300 -0.107 0.000 1.260 396 I CB 0.893 38.859 38.000 -0.058 0.000 1.390 396 I HN 0.883 nan 8.210 nan 0.000 0.475 397 D N 4.126 124.405 120.400 -0.201 0.000 2.812 397 D HA 0.234 4.874 4.640 -0.000 0.000 0.318 397 D C 0.757 176.864 176.300 -0.323 0.000 1.234 397 D CA -0.926 52.968 54.000 -0.176 0.000 0.989 397 D CB 0.505 41.236 40.800 -0.116 0.000 1.442 397 D HN 0.230 nan 8.370 nan 0.000 0.537 398 R N -0.033 120.361 120.500 -0.177 0.000 2.120 398 R HA -0.139 4.201 4.340 -0.000 0.000 0.234 398 R C 1.478 177.651 176.300 -0.212 0.000 1.123 398 R CA 2.080 58.108 56.100 -0.119 0.000 0.975 398 R CB -0.409 29.893 30.300 0.003 0.000 0.866 398 R HN 0.490 nan 8.270 nan 0.000 0.446 399 S N 0.567 116.146 115.700 -0.201 0.000 2.469 399 S HA -0.137 4.333 4.470 -0.000 0.000 0.238 399 S C 1.873 176.327 174.600 -0.243 0.000 0.998 399 S CA 0.842 58.942 58.200 -0.165 0.000 0.957 399 S CB -0.267 62.863 63.200 -0.117 0.000 0.764 399 S HN 0.404 nan 8.310 nan 0.000 0.514 400 L N 0.305 121.247 121.223 -0.469 0.000 2.362 400 L HA 0.258 4.598 4.340 -0.000 0.000 0.219 400 L C 0.624 177.256 176.870 -0.396 0.000 1.134 400 L CA 1.343 55.874 54.840 -0.514 0.000 0.807 400 L CB -0.655 40.980 42.059 -0.706 0.000 0.927 400 L HN 0.339 nan 8.230 nan 0.000 0.447 401 F N -1.677 118.263 119.950 -0.016 0.000 2.668 401 F HA 0.277 4.804 4.527 -0.000 0.000 0.297 401 F C 1.766 177.560 175.800 -0.010 0.000 1.124 401 F CA -0.446 57.546 58.000 -0.013 0.000 1.353 401 F CB -0.688 38.298 39.000 -0.024 0.000 0.992 401 F HN -0.084 nan 8.300 nan 0.000 0.524 402 K N 0.559 121.011 120.400 0.086 0.000 2.057 402 K HA -0.113 4.207 4.320 -0.000 0.000 0.206 402 K C 0.986 177.622 176.600 0.060 0.000 1.050 402 K CA 0.747 57.067 56.287 0.055 0.000 0.935 402 K CB -0.219 32.288 32.500 0.011 0.000 0.715 402 K HN -0.030 nan 8.250 nan 0.000 0.439 403 N N 1.341 120.080 118.700 0.066 0.000 3.050 403 N HA 0.061 4.800 4.740 -0.000 0.000 0.289 403 N C -1.137 174.412 175.510 0.065 0.000 1.209 403 N CA 0.088 53.176 53.050 0.062 0.000 1.154 403 N CB -0.429 38.098 38.487 0.067 0.000 1.444 403 N HN 0.070 nan 8.380 nan 0.000 0.529 404 I N 1.851 122.452 120.570 0.051 0.000 2.436 404 I HA -0.026 4.144 4.170 -0.000 0.000 0.289 404 I C 1.448 177.568 176.117 0.005 0.000 1.083 404 I CA -0.403 60.915 61.300 0.029 0.000 1.372 404 I CB 0.972 38.990 38.000 0.031 0.000 1.408 404 I HN 0.211 nan 8.210 nan 0.000 0.516 405 V N 1.445 121.341 119.914 -0.030 0.000 3.660 405 V HA 0.069 4.189 4.120 -0.000 0.000 0.276 405 V C 1.007 177.076 176.094 -0.041 0.000 1.317 405 V CA 0.067 62.346 62.300 -0.035 0.000 1.097 405 V CB -0.669 31.116 31.823 -0.063 0.000 0.863 405 V HN 0.779 nan 8.190 nan 0.000 0.438 406 T N -1.548 112.978 114.554 -0.046 0.000 2.816 406 T HA 0.350 4.700 4.350 -0.000 0.000 0.282 406 T C 0.808 175.498 174.700 -0.017 0.000 0.993 406 T CA -0.240 61.839 62.100 -0.035 0.000 0.994 406 T CB 1.528 70.371 68.868 -0.041 0.000 1.025 406 T HN 0.285 nan 8.240 nan 0.000 0.529 407 K N 0.179 120.570 120.400 -0.016 0.000 2.103 407 K HA 0.005 4.325 4.320 -0.000 0.000 0.204 407 K C 1.037 177.633 176.600 -0.006 0.000 1.052 407 K CA 0.434 56.716 56.287 -0.009 0.000 0.945 407 K CB -0.148 32.346 32.500 -0.011 0.000 0.722 407 K HN 0.461 nan 8.250 nan 0.000 0.443 408 N N 1.736 120.430 118.700 -0.010 0.000 2.475 408 N HA -0.023 4.717 4.740 -0.000 0.000 0.267 408 N C -0.047 175.472 175.510 0.014 0.000 1.169 408 N CA 0.378 53.427 53.050 -0.001 0.000 0.947 408 N CB 0.758 39.236 38.487 -0.014 0.000 1.061 408 N HN -0.040 nan 8.380 nan 0.000 0.466 409 K N 1.643 122.058 120.400 0.025 0.000 2.373 409 K HA 0.108 4.428 4.320 -0.000 0.000 0.202 409 K C -0.072 176.560 176.600 0.052 0.000 1.025 409 K CA -0.088 56.219 56.287 0.033 0.000 1.115 409 K CB -0.115 32.398 32.500 0.022 0.000 0.858 409 K HN 0.433 nan 8.250 nan 0.000 0.525 410 T N 2.256 116.859 114.554 0.080 0.000 2.871 410 T HA 0.095 4.444 4.350 -0.000 0.000 0.296 410 T C -0.112 174.691 174.700 0.172 0.000 0.998 410 T CA 0.389 62.565 62.100 0.125 0.000 1.162 410 T CB 0.155 69.118 68.868 0.158 0.000 0.947 410 T HN 0.023 nan 8.240 nan 0.000 0.536 411 L N 7.210 128.441 121.223 0.013 0.000 2.409 411 L HA 0.318 4.658 4.340 -0.000 0.000 0.262 411 L C -2.322 174.402 176.870 -0.244 0.000 1.346 411 L CA -1.255 53.463 54.840 -0.204 0.000 0.848 411 L CB 1.009 42.988 42.059 -0.132 0.000 1.006 411 L HN 0.408 nan 8.230 nan 0.000 0.505 412 P HA 0.151 nan 4.420 nan 0.000 0.270 412 P C 0.429 177.603 177.300 -0.209 0.000 1.223 412 P CA -0.087 62.897 63.100 -0.194 0.000 0.785 412 P CB 0.972 32.577 31.700 -0.158 0.000 0.923 413 E N 0.656 120.784 120.200 -0.120 0.000 2.171 413 E HA -0.158 4.192 4.350 -0.000 0.000 0.197 413 E C 1.883 178.415 176.600 -0.114 0.000 0.997 413 E CA 1.926 58.270 56.400 -0.093 0.000 0.810 413 E CB -0.642 29.029 29.700 -0.049 0.000 0.738 413 E HN 0.615 nan 8.360 nan 0.000 0.467 414 S N 0.478 116.103 115.700 -0.125 0.000 2.402 414 S HA -0.008 4.462 4.470 -0.000 0.000 0.229 414 S C 2.190 176.672 174.600 -0.196 0.000 1.021 414 S CA 1.002 59.133 58.200 -0.116 0.000 0.974 414 S CB -0.100 63.056 63.200 -0.074 0.000 0.800 414 S HN 0.264 nan 8.310 nan 0.000 0.484 415 A N 1.617 124.215 122.820 -0.369 0.000 1.897 415 A HA 0.141 4.461 4.320 -0.000 0.000 0.215 415 A C 2.397 179.725 177.584 -0.427 0.000 1.181 415 A CA 1.347 53.038 52.037 -0.577 0.000 0.620 415 A CB -1.115 17.089 19.000 -1.327 0.000 0.821 415 A HN 0.412 nan 8.150 nan 0.000 0.443 416 V N 0.367 120.086 119.914 -0.325 0.000 2.282 416 V HA -0.315 3.804 4.120 -0.000 0.000 0.249 416 V C 2.665 178.729 176.094 -0.051 0.000 1.057 416 V CA 2.468 64.667 62.300 -0.169 0.000 1.032 416 V CB -0.823 30.988 31.823 -0.020 0.000 0.645 416 V HN 0.671 nan 8.190 nan 0.000 0.447 417 R N 0.181 120.645 120.500 -0.060 0.000 2.082 417 R HA -0.216 4.124 4.340 -0.000 0.000 0.234 417 R C 2.088 178.369 176.300 -0.033 0.000 1.136 417 R CA 2.418 58.505 56.100 -0.023 0.000 0.935 417 R CB -0.548 29.734 30.300 -0.031 0.000 0.842 417 R HN 0.541 nan 8.270 nan 0.000 0.430 418 D N 0.568 120.920 120.400 -0.080 0.000 2.178 418 D HA -0.156 4.484 4.640 -0.000 0.000 0.201 418 D C 2.021 178.281 176.300 -0.066 0.000 0.980 418 D CA 0.968 54.928 54.000 -0.066 0.000 0.842 418 D CB -0.156 40.601 40.800 -0.071 0.000 0.948 418 D HN 0.329 nan 8.370 nan 0.000 0.472 419 L N 0.219 121.359 121.223 -0.137 0.000 2.109 419 L HA -0.049 4.291 4.340 -0.000 0.000 0.207 419 L C 2.452 179.379 176.870 0.094 0.000 1.086 419 L CA 0.499 55.250 54.840 -0.149 0.000 0.760 419 L CB -0.147 41.532 42.059 -0.634 0.000 0.910 419 L HN -0.017 nan 8.230 nan 0.000 0.437 420 I N -1.092 119.579 120.570 0.169 0.000 2.252 420 I HA -0.242 3.928 4.170 -0.000 0.000 0.245 420 I C 2.417 178.594 176.117 0.101 0.000 1.102 420 I CA 0.855 62.275 61.300 0.199 0.000 1.385 420 I CB -0.172 37.927 38.000 0.166 0.000 1.064 420 I HN -0.004 nan 8.210 nan 0.000 0.414 421 V N 1.095 121.044 119.914 0.059 0.000 2.287 421 V HA -0.326 3.794 4.120 -0.000 0.000 0.248 421 V C 2.721 178.845 176.094 0.051 0.000 1.053 421 V CA 2.157 64.484 62.300 0.045 0.000 1.027 421 V CB -1.034 30.802 31.823 0.023 0.000 0.646 421 V HN 0.504 nan 8.190 nan 0.000 0.447 422 A N -0.388 122.455 122.820 0.039 0.000 1.902 422 A HA -0.194 4.126 4.320 -0.000 0.000 0.217 422 A C 2.468 180.082 177.584 0.049 0.000 1.181 422 A CA 2.264 54.321 52.037 0.035 0.000 0.623 422 A CB -0.664 18.342 19.000 0.009 0.000 0.818 422 A HN 0.531 nan 8.150 nan 0.000 0.443 423 S N -0.077 115.666 115.700 0.072 0.000 2.368 423 S HA -0.064 4.405 4.470 -0.000 0.000 0.224 423 S C 1.803 176.426 174.600 0.039 0.000 1.029 423 S CA 1.381 59.620 58.200 0.064 0.000 0.988 423 S CB -0.468 62.800 63.200 0.113 0.000 0.838 423 S HN 0.537 nan 8.310 nan 0.000 0.462 424 I N 1.809 122.417 120.570 0.064 0.000 2.286 424 I HA -0.195 3.975 4.170 -0.000 0.000 0.248 424 I C 2.716 178.922 176.117 0.149 0.000 1.115 424 I CA 1.018 62.375 61.300 0.094 0.000 1.392 424 I CB -0.511 37.554 38.000 0.109 0.000 1.065 424 I HN 0.268 nan 8.210 nan 0.000 0.418 425 A N 0.356 123.248 122.820 0.120 0.000 1.877 425 A HA -0.152 4.168 4.320 -0.000 0.000 0.216 425 A C 2.447 180.088 177.584 0.095 0.000 1.186 425 A CA 1.614 53.732 52.037 0.135 0.000 0.620 425 A CB -0.955 18.100 19.000 0.092 0.000 0.822 425 A HN 0.230 nan 8.150 nan 0.000 0.443 426 V N 0.265 120.205 119.914 0.044 0.000 2.515 426 V HA -0.238 3.882 4.120 -0.000 0.000 0.250 426 V C 2.519 178.580 176.094 -0.055 0.000 1.058 426 V CA 2.271 64.576 62.300 0.009 0.000 1.064 426 V CB -0.548 31.278 31.823 0.005 0.000 0.675 426 V HN 0.703 nan 8.190 nan 0.000 0.461 427 K N -0.512 119.813 120.400 -0.126 0.000 2.113 427 K HA -0.209 4.111 4.320 -0.000 0.000 0.208 427 K C 1.065 177.272 176.600 -0.655 0.000 1.047 427 K CA 1.911 57.979 56.287 -0.365 0.000 0.928 427 K CB -0.124 32.099 32.500 -0.462 0.000 0.716 427 K HN 0.566 nan 8.250 nan 0.000 0.446 428 Y N 0.277 120.474 120.300 -0.170 0.000 2.720 428 Y HA 0.228 4.778 4.550 -0.000 0.000 0.277 428 Y C -0.399 175.484 175.900 -0.029 0.000 1.144 428 Y CA -0.333 57.614 58.100 -0.254 0.000 1.221 428 Y CB 0.958 39.431 38.460 0.021 0.000 1.163 428 Y HN -0.184 nan 8.280 nan 0.000 0.537 429 T N 1.272 115.876 114.554 0.085 0.000 2.823 429 T HA 0.246 4.596 4.350 -0.000 0.000 0.279 429 T C -0.211 174.609 174.700 0.201 0.000 0.998 429 T CA -0.907 61.257 62.100 0.107 0.000 0.994 429 T CB 1.253 70.141 68.868 0.035 0.000 0.960 429 T HN -0.061 nan 8.240 nan 0.000 0.448 430 Q N 1.910 121.807 119.800 0.161 0.000 2.286 430 Q HA 0.180 4.520 4.340 -0.000 0.000 0.290 430 Q C 0.235 176.193 176.000 -0.070 0.000 1.049 430 Q CA 0.283 56.105 55.803 0.032 0.000 0.923 430 Q CB 0.424 29.191 28.738 0.048 0.000 1.183 430 Q HN 0.590 nan 8.270 nan 0.000 0.383 431 S N 2.017 117.531 115.700 -0.310 0.000 2.617 431 S HA 0.172 4.642 4.470 -0.000 0.000 0.269 431 S C 0.587 175.122 174.600 -0.108 0.000 1.292 431 S CA -0.744 57.282 58.200 -0.289 0.000 1.010 431 S CB 0.474 63.309 63.200 -0.607 0.000 0.944 431 S HN 0.673 nan 8.310 nan 0.000 0.536 432 N N -0.164 118.480 118.700 -0.094 0.000 2.408 432 N HA 0.471 5.211 4.740 -0.000 0.000 0.260 432 N C -1.016 174.487 175.510 -0.011 0.000 1.242 432 N CA -0.675 52.321 53.050 -0.090 0.000 0.959 432 N CB 0.646 39.094 38.487 -0.065 0.000 1.201 432 N HN 0.530 nan 8.380 nan 0.000 0.511 433 S N -0.763 114.950 115.700 0.021 0.000 2.537 433 S HA 0.503 4.973 4.470 -0.000 0.000 0.270 433 S C -1.186 173.442 174.600 0.047 0.000 1.142 433 S CA -0.899 57.325 58.200 0.040 0.000 0.870 433 S CB 1.619 64.838 63.200 0.031 0.000 1.112 433 S HN 0.593 nan 8.310 nan 0.000 0.466 434 V N 0.633 120.593 119.914 0.078 0.000 2.925 434 V HA 0.832 4.952 4.120 -0.000 0.000 0.311 434 V C -1.315 174.841 176.094 0.104 0.000 1.104 434 V CA -0.482 61.868 62.300 0.084 0.000 0.954 434 V CB 1.687 33.597 31.823 0.145 0.000 1.022 434 V HN 1.388 nan 8.190 nan 0.000 0.427 435 C N 6.386 125.718 119.300 0.054 0.000 2.551 435 C HA 0.723 5.183 4.460 -0.000 0.000 0.332 435 C C -1.297 173.705 174.990 0.019 0.000 1.139 435 C CA -0.678 58.392 59.018 0.088 0.000 1.328 435 C CB 0.643 28.417 27.740 0.056 0.000 1.903 435 C HN 0.843 nan 8.230 nan 0.000 0.459 436 Y N 3.668 123.970 120.300 0.002 0.000 2.308 436 Y HA 0.637 5.187 4.550 -0.000 0.000 0.329 436 Y C 0.670 176.518 175.900 -0.087 0.000 1.111 436 Y CA 0.172 58.255 58.100 -0.029 0.000 1.179 436 Y CB 1.413 39.853 38.460 -0.034 0.000 1.201 436 Y HN 0.950 nan 8.280 nan 0.000 0.483 437 A N 3.721 126.557 122.820 0.027 0.000 2.515 437 A HA 0.852 5.172 4.320 -0.000 0.000 0.298 437 A C -1.241 176.291 177.584 -0.087 0.000 1.059 437 A CA -0.871 51.129 52.037 -0.061 0.000 0.698 437 A CB 2.041 21.020 19.000 -0.035 0.000 1.289 437 A HN 0.693 nan 8.150 nan 0.000 0.404 438 K N 0.802 121.112 120.400 -0.149 0.000 2.562 438 K HA 0.423 4.743 4.320 -0.000 0.000 0.267 438 K C -1.325 175.239 176.600 -0.060 0.000 0.938 438 K CA -0.471 55.755 56.287 -0.102 0.000 0.840 438 K CB 1.312 33.727 32.500 -0.141 0.000 1.390 438 K HN 0.664 nan 8.250 nan 0.000 0.428 439 D N 1.723 122.131 120.400 0.015 0.000 2.751 439 D HA -0.185 4.455 4.640 -0.000 0.000 0.233 439 D C 0.531 176.860 176.300 0.049 0.000 1.149 439 D CA 2.030 56.070 54.000 0.066 0.000 0.682 439 D CB -1.251 39.645 40.800 0.161 0.000 1.068 439 D HN 1.044 nan 8.370 nan 0.000 0.429 440 G N -0.206 108.602 108.800 0.013 0.000 2.148 440 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.254 440 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.254 440 G C 0.117 175.024 174.900 0.012 0.000 0.981 440 G CA 1.012 46.121 45.100 0.015 0.000 0.670 440 G HN 0.811 nan 8.290 nan 0.000 0.528 441 Q N -1.034 118.755 119.800 -0.018 0.000 2.421 441 Q HA 0.748 5.088 4.340 -0.000 0.000 0.280 441 Q C -0.436 175.509 176.000 -0.092 0.000 1.085 441 Q CA -1.190 54.594 55.803 -0.033 0.000 0.807 441 Q CB 2.311 31.042 28.738 -0.013 0.000 1.405 441 Q HN 0.310 nan 8.270 nan 0.000 0.419 442 V N 3.319 123.196 119.914 -0.062 0.000 2.585 442 V HA 0.025 4.145 4.120 -0.000 0.000 0.296 442 V C 0.943 176.915 176.094 -0.204 0.000 1.035 442 V CA 0.527 62.782 62.300 -0.075 0.000 1.084 442 V CB 0.343 32.163 31.823 -0.004 0.000 0.953 442 V HN 0.858 nan 8.190 nan 0.000 0.483 443 I N 1.529 121.940 120.570 -0.266 0.000 4.327 443 I HA 0.678 4.848 4.170 -0.000 0.000 0.331 443 I C 0.699 176.723 176.117 -0.155 0.000 1.348 443 I CA 0.159 61.164 61.300 -0.492 0.000 1.152 443 I CB 0.890 38.273 38.000 -1.029 0.000 1.151 443 I HN 0.619 nan 8.210 nan 0.000 0.410 444 G N 2.068 110.854 108.800 -0.024 0.000 2.715 444 G HA2 0.594 4.554 3.960 -0.000 0.000 0.297 444 G HA3 0.594 4.554 3.960 -0.000 0.000 0.297 444 G C -1.952 173.036 174.900 0.146 0.000 1.386 444 G CA -0.345 44.779 45.100 0.038 0.000 1.157 444 G HN 0.147 nan 8.290 nan 0.000 0.585 445 I N 1.551 122.189 120.570 0.112 0.000 2.619 445 I HA 0.792 4.962 4.170 -0.000 0.000 0.292 445 I C 0.175 176.355 176.117 0.106 0.000 1.100 445 I CA -0.808 60.562 61.300 0.118 0.000 1.043 445 I CB 2.224 40.265 38.000 0.068 0.000 1.239 445 I HN 0.681 nan 8.210 nan 0.000 0.420 446 G N 5.231 114.102 108.800 0.117 0.000 2.461 446 G HA2 0.817 4.777 3.960 -0.000 0.000 0.323 446 G HA3 0.817 4.777 3.960 -0.000 0.000 0.323 446 G C -1.566 173.378 174.900 0.072 0.000 1.229 446 G CA -0.461 44.699 45.100 0.101 0.000 0.941 446 G HN 0.833 nan 8.290 nan 0.000 0.477 447 A N 0.493 123.347 122.820 0.057 0.000 2.515 447 A HA 0.839 5.159 4.320 -0.000 0.000 0.298 447 A C 0.764 178.372 177.584 0.039 0.000 1.059 447 A CA 0.207 52.268 52.037 0.040 0.000 0.698 447 A CB 1.366 20.383 19.000 0.028 0.000 1.289 447 A HN 2.510 nan 8.150 nan 0.000 0.404 448 G N 0.246 109.064 108.800 0.029 0.000 2.162 448 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.260 448 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.260 448 G C 0.235 175.156 174.900 0.035 0.000 0.976 448 G CA 0.624 45.745 45.100 0.036 0.000 0.655 448 G HN 0.822 nan 8.290 nan 0.000 0.533 449 Q N -0.657 119.166 119.800 0.039 0.000 2.308 449 Q HA 0.543 4.883 4.340 -0.000 0.000 0.207 449 Q C 1.386 177.404 176.000 0.030 0.000 1.035 449 Q CA 0.019 55.857 55.803 0.059 0.000 1.008 449 Q CB 0.344 29.143 28.738 0.102 0.000 1.168 449 Q HN 0.625 nan 8.270 nan 0.000 0.565 450 Q N -0.844 118.984 119.800 0.046 0.000 2.179 450 Q HA 0.268 4.608 4.340 -0.000 0.000 0.244 450 Q C -0.344 175.631 176.000 -0.042 0.000 0.808 450 Q CA 0.035 55.836 55.803 -0.002 0.000 0.955 450 Q CB 1.282 30.026 28.738 0.010 0.000 1.141 450 Q HN 0.285 nan 8.270 nan 0.000 0.485 451 S N 0.141 115.798 115.700 -0.072 0.000 2.503 451 S HA 0.317 4.787 4.470 -0.000 0.000 0.301 451 S C 0.262 174.835 174.600 -0.045 0.000 1.087 451 S CA -0.593 57.506 58.200 -0.169 0.000 1.042 451 S CB 2.141 64.982 63.200 -0.598 0.000 1.043 451 S HN 0.092 nan 8.310 nan 0.000 0.489 452 R N 1.708 122.205 120.500 -0.005 0.000 2.081 452 R HA 0.012 4.351 4.340 -0.000 0.000 0.235 452 R C 1.844 178.234 176.300 0.149 0.000 1.131 452 R CA 1.535 57.684 56.100 0.081 0.000 0.960 452 R CB -0.838 29.520 30.300 0.096 0.000 0.856 452 R HN 0.674 nan 8.270 nan 0.000 0.436 453 I N 0.413 121.055 120.570 0.119 0.000 2.226 453 I HA -0.237 3.933 4.170 -0.000 0.000 0.245 453 I C 1.543 177.803 176.117 0.239 0.000 1.100 453 I CA 1.693 63.093 61.300 0.166 0.000 1.374 453 I CB -0.536 37.553 38.000 0.149 0.000 1.057 453 I HN 0.254 nan 8.210 nan 0.000 0.413 454 H N -0.805 118.325 119.070 0.100 0.000 2.352 454 H HA -0.194 4.362 4.556 -0.000 0.000 0.299 454 H C 2.516 177.899 175.328 0.091 0.000 1.097 454 H CA 1.647 57.744 56.048 0.081 0.000 1.311 454 H CB -1.202 28.598 29.762 0.062 0.000 1.377 454 H HN 0.467 nan 8.280 nan 0.000 0.504 455 C N 0.445 119.889 119.300 0.240 0.000 2.466 455 C HA -0.117 4.343 4.460 -0.000 0.000 0.278 455 C C 2.809 177.927 174.990 0.212 0.000 1.288 455 C CA 1.526 60.655 59.018 0.186 0.000 1.722 455 C CB -1.031 26.796 27.740 0.145 0.000 2.017 455 C HN 0.599 nan 8.230 nan 0.000 0.488 456 T N 0.534 115.232 114.554 0.240 0.000 2.665 456 T HA -0.206 4.144 4.350 -0.000 0.000 0.268 456 T C 1.939 176.800 174.700 0.269 0.000 1.035 456 T CA 1.660 63.931 62.100 0.286 0.000 1.151 456 T CB -0.314 68.698 68.868 0.240 0.000 0.862 456 T HN 0.611 nan 8.240 nan 0.000 0.438 457 R N 0.135 120.751 120.500 0.193 0.000 2.066 457 R HA 0.053 4.393 4.340 -0.000 0.000 0.232 457 R C 2.488 178.843 176.300 0.092 0.000 1.131 457 R CA 0.984 57.162 56.100 0.131 0.000 0.955 457 R CB -0.646 29.724 30.300 0.115 0.000 0.851 457 R HN 0.244 nan 8.270 nan 0.000 0.432 458 L N 0.863 122.147 121.223 0.102 0.000 1.989 458 L HA -0.184 4.156 4.340 -0.000 0.000 0.211 458 L C 2.277 179.189 176.870 0.069 0.000 1.071 458 L CA 2.193 57.077 54.840 0.074 0.000 0.749 458 L CB -0.554 41.553 42.059 0.080 0.000 0.890 458 L HN 0.157 nan 8.230 nan 0.000 0.431 459 A N -0.625 122.267 122.820 0.121 0.000 1.930 459 A HA -0.037 4.283 4.320 -0.000 0.000 0.217 459 A C 2.340 179.823 177.584 -0.170 0.000 1.175 459 A CA 1.406 53.512 52.037 0.116 0.000 0.627 459 A CB -1.616 17.593 19.000 0.347 0.000 0.815 459 A HN 0.558 nan 8.150 nan 0.000 0.443 460 G N -0.105 108.558 108.800 -0.228 0.000 2.442 460 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.219 460 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.219 460 G C 1.069 175.828 174.900 -0.236 0.000 1.141 460 G CA 1.302 46.100 45.100 -0.505 0.000 0.763 460 G HN 0.467 nan 8.290 nan 0.000 0.554 461 D N 0.264 120.618 120.400 -0.078 0.000 2.224 461 D HA 0.006 4.646 4.640 -0.000 0.000 0.205 461 D C 2.436 178.747 176.300 0.018 0.000 0.965 461 D CA 0.696 54.691 54.000 -0.009 0.000 0.852 461 D CB -0.061 40.748 40.800 0.015 0.000 0.947 461 D HN 0.290 nan 8.370 nan 0.000 0.494 462 K N 0.412 120.813 120.400 0.002 0.000 2.057 462 K HA 0.036 4.356 4.320 -0.000 0.000 0.206 462 K C 2.054 178.713 176.600 0.097 0.000 1.050 462 K CA 1.020 57.340 56.287 0.056 0.000 0.935 462 K CB 0.006 32.537 32.500 0.051 0.000 0.715 462 K HN 0.015 nan 8.250 nan 0.000 0.439 463 A N 1.503 124.312 122.820 -0.018 0.000 1.930 463 A HA -0.184 4.135 4.320 -0.000 0.000 0.217 463 A C 1.685 179.423 177.584 0.258 0.000 1.175 463 A CA 1.550 53.623 52.037 0.060 0.000 0.627 463 A CB -0.664 18.185 19.000 -0.253 0.000 0.815 463 A HN 0.347 nan 8.150 nan 0.000 0.443 464 N N 0.093 118.889 118.700 0.160 0.000 2.036 464 N HA -0.156 4.583 4.740 -0.000 0.000 0.195 464 N C 1.950 177.652 175.510 0.321 0.000 1.037 464 N CA 1.643 54.843 53.050 0.249 0.000 0.855 464 N CB -0.168 38.409 38.487 0.150 0.000 1.033 464 N HN 0.446 nan 8.380 nan 0.000 0.423 465 S N 0.230 116.079 115.700 0.249 0.000 2.368 465 S HA -0.178 4.292 4.470 -0.000 0.000 0.225 465 S C 1.413 176.202 174.600 0.315 0.000 1.030 465 S CA 0.943 59.284 58.200 0.235 0.000 0.999 465 S CB -0.481 62.828 63.200 0.182 0.000 0.844 465 S HN 0.511 nan 8.310 nan 0.000 0.459 466 W N 1.598 123.037 121.300 0.233 0.000 2.318 466 W HA -0.171 4.489 4.660 -0.000 0.000 0.313 466 W C 2.190 179.023 176.519 0.524 0.000 1.221 466 W CA 1.472 59.004 57.345 0.311 0.000 1.266 466 W CB -0.547 29.074 29.460 0.268 0.000 1.150 466 W HN 0.414 nan 8.180 nan 0.000 0.496 467 W N 0.472 121.987 121.300 0.357 0.000 2.379 467 W HA -0.194 4.466 4.660 -0.000 0.000 0.307 467 W C 1.853 178.632 176.519 0.432 0.000 1.200 467 W CA 1.297 58.775 57.345 0.221 0.000 1.297 467 W CB -0.619 29.017 29.460 0.293 0.000 1.140 467 W HN -0.162 nan 8.180 nan 0.000 0.507 468 L N 0.836 122.236 121.223 0.295 0.000 2.261 468 L HA -0.187 4.153 4.340 -0.000 0.000 0.216 468 L C 2.443 179.265 176.870 -0.080 0.000 1.114 468 L CA 1.154 56.028 54.840 0.056 0.000 0.777 468 L CB -0.605 41.510 42.059 0.094 0.000 0.910 468 L HN -0.068 nan 8.230 nan 0.000 0.440 469 R N -1.400 119.087 120.500 -0.021 0.000 2.316 469 R HA -0.080 4.259 4.340 -0.000 0.000 0.202 469 R C 1.498 177.619 176.300 -0.298 0.000 1.029 469 R CA 0.523 56.546 56.100 -0.128 0.000 1.018 469 R CB -0.104 30.121 30.300 -0.124 0.000 0.888 469 R HN 0.432 nan 8.270 nan 0.000 0.471 470 H N -1.789 117.080 119.070 -0.336 0.000 2.592 470 H HA 0.065 4.621 4.556 -0.000 0.000 0.265 470 H C 0.269 175.282 175.328 -0.525 0.000 0.955 470 H CA -0.022 55.815 56.048 -0.352 0.000 1.175 470 H CB 0.072 29.606 29.762 -0.380 0.000 1.433 470 H HN 0.081 nan 8.280 nan 0.000 0.537 471 H N 2.914 121.440 119.070 -0.906 0.000 3.094 471 H HA -0.057 4.499 4.556 -0.000 0.000 0.320 471 H C -1.521 173.360 175.328 -0.746 0.000 1.000 471 H CA -1.202 53.963 56.048 -1.473 0.000 1.413 471 H CB 1.148 30.137 29.762 -1.288 0.000 1.405 471 H HN 0.174 nan 8.280 nan 0.000 0.586 472 P HA -0.183 nan 4.420 nan 0.000 0.218 472 P C 1.518 178.745 177.300 -0.121 0.000 1.146 472 P CA 1.363 64.276 63.100 -0.312 0.000 0.820 472 P CB 0.041 31.559 31.700 -0.304 0.000 0.778 473 R N -0.377 120.178 120.500 0.093 0.000 2.148 473 R HA -0.035 4.305 4.340 -0.000 0.000 0.223 473 R C 1.927 178.155 176.300 -0.120 0.000 1.088 473 R CA 0.802 56.911 56.100 0.015 0.000 0.985 473 R CB -0.333 29.990 30.300 0.039 0.000 0.880 473 R HN 0.050 nan 8.270 nan 0.000 0.451 474 V N 0.926 120.769 119.914 -0.118 0.000 2.346 474 V HA -0.181 3.939 4.120 -0.000 0.000 0.244 474 V C 2.175 178.192 176.094 -0.128 0.000 1.037 474 V CA 1.320 63.520 62.300 -0.167 0.000 1.029 474 V CB -0.288 31.467 31.823 -0.114 0.000 0.663 474 V HN 0.315 nan 8.190 nan 0.000 0.454 475 L N 0.001 121.142 121.223 -0.136 0.000 2.261 475 L HA -0.138 4.202 4.340 -0.000 0.000 0.216 475 L C 2.379 179.190 176.870 -0.099 0.000 1.114 475 L CA 1.237 56.005 54.840 -0.120 0.000 0.777 475 L CB -0.526 41.453 42.059 -0.133 0.000 0.910 475 L HN 0.300 nan 8.230 nan 0.000 0.440 476 S N -1.085 114.551 115.700 -0.106 0.000 2.470 476 S HA 0.111 4.581 4.470 -0.000 0.000 0.225 476 S C 0.985 175.523 174.600 -0.102 0.000 1.006 476 S CA 0.042 58.182 58.200 -0.100 0.000 0.934 476 S CB -0.066 63.070 63.200 -0.108 0.000 0.778 476 S HN 0.233 nan 8.310 nan 0.000 0.517 477 M N 2.607 122.139 119.600 -0.114 0.000 2.243 477 M HA -0.065 4.415 4.480 -0.000 0.000 0.365 477 M C -0.143 176.139 176.300 -0.031 0.000 1.327 477 M CA 0.804 56.028 55.300 -0.126 0.000 0.918 477 M CB 0.207 32.773 32.600 -0.058 0.000 1.894 477 M HN -0.105 nan 8.290 nan 0.000 0.473 478 K N 5.248 125.605 120.400 -0.072 0.000 2.478 478 K HA 0.364 4.684 4.320 -0.000 0.000 0.236 478 K C -1.064 175.510 176.600 -0.043 0.000 1.021 478 K CA -0.196 56.081 56.287 -0.017 0.000 1.010 478 K CB 0.311 32.786 32.500 -0.041 0.000 1.331 478 K HN 0.369 nan 8.250 nan 0.000 0.470 479 F N 1.523 121.435 119.950 -0.064 0.000 2.406 479 F HA 0.165 4.692 4.527 -0.000 0.000 0.327 479 F C 1.418 177.117 175.800 -0.168 0.000 1.153 479 F CA -0.021 57.837 58.000 -0.236 0.000 1.218 479 F CB 0.645 39.454 39.000 -0.318 0.000 1.215 479 F HN 0.078 nan 8.300 nan 0.000 0.570 480 K N 1.269 121.654 120.400 -0.024 0.000 2.258 480 K HA 0.471 4.791 4.320 -0.000 0.000 0.264 480 K C -0.113 176.475 176.600 -0.019 0.000 1.007 480 K CA -0.620 55.647 56.287 -0.033 0.000 0.941 480 K CB 0.649 33.111 32.500 -0.064 0.000 0.966 480 K HN 0.708 nan 8.250 nan 0.000 0.480 481 A N 0.927 123.734 122.820 -0.023 0.000 2.531 481 A HA 0.358 4.678 4.320 -0.000 0.000 0.236 481 A C 1.203 178.766 177.584 -0.036 0.000 1.062 481 A CA 0.858 52.879 52.037 -0.027 0.000 0.760 481 A CB -0.530 18.457 19.000 -0.022 0.000 0.995 481 A HN 0.926 nan 8.150 nan 0.000 0.501 482 G N 0.641 109.416 108.800 -0.041 0.000 2.217 482 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.246 482 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.246 482 G C 0.274 175.140 174.900 -0.057 0.000 0.990 482 G CA 0.060 45.134 45.100 -0.043 0.000 0.627 482 G HN 1.468 nan 8.290 nan 0.000 0.522 483 V N 2.778 122.647 119.914 -0.074 0.000 2.446 483 V HA 0.237 4.357 4.120 -0.000 0.000 0.276 483 V C 1.177 177.193 176.094 -0.131 0.000 1.030 483 V CA 0.228 62.465 62.300 -0.106 0.000 1.033 483 V CB 0.931 32.680 31.823 -0.122 0.000 0.993 483 V HN 0.373 nan 8.190 nan 0.000 0.477 484 K N 4.470 124.805 120.400 -0.108 0.000 2.276 484 K HA 0.191 4.511 4.320 -0.000 0.000 0.259 484 K C 1.334 177.851 176.600 -0.138 0.000 1.001 484 K CA -0.378 55.852 56.287 -0.095 0.000 0.927 484 K CB 0.764 33.234 32.500 -0.050 0.000 0.969 484 K HN 0.514 nan 8.250 nan 0.000 0.490 485 R N 0.924 121.360 120.500 -0.107 0.000 2.083 485 R HA -0.219 4.121 4.340 -0.000 0.000 0.237 485 R C 2.181 178.427 176.300 -0.090 0.000 1.137 485 R CA 1.730 57.762 56.100 -0.113 0.000 0.951 485 R CB -0.543 29.720 30.300 -0.060 0.000 0.851 485 R HN 0.701 nan 8.270 nan 0.000 0.434 486 A N 1.432 124.238 122.820 -0.024 0.000 1.933 486 A HA -0.185 4.135 4.320 -0.000 0.000 0.218 486 A C 1.943 179.518 177.584 -0.014 0.000 1.175 486 A CA 1.356 53.413 52.037 0.034 0.000 0.628 486 A CB -0.265 18.807 19.000 0.120 0.000 0.814 486 A HN 0.356 nan 8.150 nan 0.000 0.444 487 E N -0.388 119.775 120.200 -0.062 0.000 2.047 487 E HA -0.102 4.248 4.350 -0.000 0.000 0.191 487 E C 1.990 178.489 176.600 -0.169 0.000 0.987 487 E CA 1.165 57.514 56.400 -0.085 0.000 0.799 487 E CB -0.294 29.348 29.700 -0.097 0.000 0.752 487 E HN 0.350 nan 8.360 nan 0.000 0.449 488 V N 1.752 121.451 119.914 -0.359 0.000 2.317 488 V HA -0.330 3.790 4.120 -0.000 0.000 0.251 488 V C 2.593 178.496 176.094 -0.318 0.000 1.065 488 V CA 2.229 64.111 62.300 -0.698 0.000 1.049 488 V CB -0.804 30.488 31.823 -0.884 0.000 0.651 488 V HN 0.392 nan 8.190 nan 0.000 0.450 489 S N 0.183 115.791 115.700 -0.152 0.000 2.371 489 S HA -0.204 4.266 4.470 -0.000 0.000 0.224 489 S C 1.700 176.332 174.600 0.053 0.000 1.029 489 S CA 1.742 59.924 58.200 -0.029 0.000 0.978 489 S CB -0.927 62.275 63.200 0.004 0.000 0.833 489 S HN 0.726 nan 8.310 nan 0.000 0.466 490 N N 2.228 120.961 118.700 0.054 0.000 2.166 490 N HA 0.014 4.754 4.740 -0.000 0.000 0.186 490 N C 2.055 177.685 175.510 0.201 0.000 1.019 490 N CA 0.979 54.089 53.050 0.101 0.000 0.856 490 N CB -0.416 38.112 38.487 0.068 0.000 0.993 490 N HN 0.606 nan 8.380 nan 0.000 0.426 491 A N 1.318 124.277 122.820 0.232 0.000 1.877 491 A HA -0.111 4.209 4.320 -0.000 0.000 0.216 491 A C 2.126 180.089 177.584 0.633 0.000 1.186 491 A CA 1.107 53.431 52.037 0.479 0.000 0.620 491 A CB -0.589 18.608 19.000 0.328 0.000 0.822 491 A HN 0.182 nan 8.150 nan 0.000 0.443 492 I N -0.567 120.251 120.570 0.413 0.000 2.286 492 I HA -0.188 3.982 4.170 -0.000 0.000 0.245 492 I C 2.268 178.573 176.117 0.313 0.000 1.104 492 I CA 1.400 62.922 61.300 0.370 0.000 1.397 492 I CB -0.320 37.809 38.000 0.215 0.000 1.072 492 I HN 0.322 nan 8.210 nan 0.000 0.417 493 D N 0.791 121.327 120.400 0.226 0.000 2.123 493 D HA -0.223 4.417 4.640 -0.000 0.000 0.196 493 D C 2.158 178.554 176.300 0.161 0.000 0.992 493 D CA 1.591 55.693 54.000 0.170 0.000 0.833 493 D CB 0.045 40.924 40.800 0.131 0.000 0.954 493 D HN 0.419 nan 8.370 nan 0.000 0.455 494 Q N -1.176 118.742 119.800 0.196 0.000 2.119 494 Q HA -0.167 4.173 4.340 -0.000 0.000 0.201 494 Q C 2.053 178.085 176.000 0.052 0.000 0.972 494 Q CA 0.898 56.766 55.803 0.108 0.000 0.847 494 Q CB -0.192 28.621 28.738 0.124 0.000 0.903 494 Q HN 0.419 nan 8.270 nan 0.000 0.433 495 Y N 1.003 121.332 120.300 0.047 0.000 2.128 495 Y HA -0.251 4.299 4.550 -0.000 0.000 0.284 495 Y C 2.134 177.998 175.900 -0.059 0.000 1.154 495 Y CA 1.726 59.809 58.100 -0.029 0.000 1.149 495 Y CB -0.153 38.430 38.460 0.205 0.000 0.976 495 Y HN 0.038 nan 8.280 nan 0.000 0.505 496 V N -2.371 117.600 119.914 0.095 0.000 2.871 496 V HA -0.075 4.045 4.120 -0.000 0.000 0.256 496 V C 1.716 177.785 176.094 -0.042 0.000 1.082 496 V CA 1.911 64.207 62.300 -0.007 0.000 1.105 496 V CB -1.292 30.586 31.823 0.093 0.000 0.713 496 V HN 0.570 nan 8.190 nan 0.000 0.473 497 T N -2.987 111.553 114.554 -0.023 0.000 3.086 497 T HA 0.384 4.734 4.350 -0.000 0.000 0.250 497 T C 1.602 176.255 174.700 -0.077 0.000 1.074 497 T CA 0.564 62.648 62.100 -0.026 0.000 0.988 497 T CB 0.023 68.895 68.868 0.008 0.000 0.988 497 T HN 1.587 nan 8.240 nan 0.000 0.530 498 G N 2.252 110.965 108.800 -0.145 0.000 2.273 498 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.280 498 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.280 498 G C 0.440 175.252 174.900 -0.147 0.000 1.047 498 G CA 0.528 45.516 45.100 -0.187 0.000 0.869 498 G HN 1.088 nan 8.290 nan 0.000 0.502 499 T N -2.668 111.812 114.554 -0.124 0.000 3.331 499 T HA 0.547 4.897 4.350 -0.000 0.000 0.282 499 T C 1.960 176.596 174.700 -0.106 0.000 1.010 499 T CA 0.247 62.293 62.100 -0.090 0.000 0.928 499 T CB 0.160 69.004 68.868 -0.041 0.000 1.154 499 T HN 0.266 nan 8.240 nan 0.000 0.516 500 I N 1.797 122.243 120.570 -0.206 0.000 2.113 500 I HA 0.247 4.417 4.170 -0.000 0.000 0.238 500 I C 1.795 177.827 176.117 -0.141 0.000 1.070 500 I CA 1.659 62.794 61.300 -0.275 0.000 1.332 500 I CB -0.601 37.009 38.000 -0.650 0.000 1.044 500 I HN 0.739 nan 8.210 nan 0.000 0.402 501 G N 0.072 108.788 108.800 -0.140 0.000 2.373 501 G HA2 -0.062 3.898 3.960 -0.000 0.000 0.634 501 G HA3 -0.062 3.898 3.960 -0.000 0.000 0.634 501 G C -1.030 173.827 174.900 -0.072 0.000 1.267 501 G CA -0.780 44.274 45.100 -0.077 0.000 1.008 501 G HN 0.166 nan 8.290 nan 0.000 0.497 502 E N -0.201 119.976 120.200 -0.038 0.000 2.303 502 E HA 0.636 4.986 4.350 -0.000 0.000 0.254 502 E C 0.611 177.211 176.600 -0.000 0.000 0.979 502 E CA 0.508 56.893 56.400 -0.026 0.000 0.843 502 E CB 1.020 30.704 29.700 -0.026 0.000 1.245 502 E HN 0.756 nan 8.360 nan 0.000 0.413 503 D N 0.010 120.414 120.400 0.006 0.000 3.771 503 D HA -0.291 4.349 4.640 -0.000 0.000 0.145 503 D C 0.978 177.298 176.300 0.034 0.000 0.892 503 D CA 1.956 55.967 54.000 0.017 0.000 1.080 503 D CB -0.554 40.253 40.800 0.011 0.000 0.498 503 D HN 0.568 nan 8.370 nan 0.000 0.499 504 E N 0.336 120.556 120.200 0.033 0.000 2.160 504 E HA -0.131 4.219 4.350 -0.000 0.000 0.195 504 E C 1.504 178.143 176.600 0.065 0.000 0.991 504 E CA 1.565 57.992 56.400 0.045 0.000 0.810 504 E CB -0.089 29.632 29.700 0.035 0.000 0.742 504 E HN 0.352 nan 8.360 nan 0.000 0.466 505 D N 0.076 120.510 120.400 0.058 0.000 2.097 505 D HA -0.146 4.494 4.640 -0.000 0.000 0.195 505 D C 1.948 178.325 176.300 0.129 0.000 0.989 505 D CA 0.710 54.757 54.000 0.077 0.000 0.827 505 D CB -0.234 40.590 40.800 0.040 0.000 0.966 505 D HN 0.108 nan 8.370 nan 0.000 0.456 506 L N 0.676 121.959 121.223 0.099 0.000 2.056 506 L HA -0.120 4.220 4.340 -0.000 0.000 0.207 506 L C 2.208 179.228 176.870 0.250 0.000 1.078 506 L CA 1.214 56.145 54.840 0.151 0.000 0.749 506 L CB -0.294 41.802 42.059 0.062 0.000 0.901 506 L HN -0.146 nan 8.230 nan 0.000 0.433 507 V N -0.250 119.761 119.914 0.162 0.000 2.427 507 V HA -0.254 3.866 4.120 -0.000 0.000 0.248 507 V C 2.541 178.724 176.094 0.149 0.000 1.051 507 V CA 1.834 64.220 62.300 0.143 0.000 1.048 507 V CB -0.746 31.128 31.823 0.086 0.000 0.666 507 V HN 0.447 nan 8.190 nan 0.000 0.456 508 K N -0.991 119.497 120.400 0.147 0.000 2.009 508 K HA -0.276 4.044 4.320 -0.000 0.000 0.210 508 K C 1.969 178.675 176.600 0.176 0.000 1.049 508 K CA 2.212 58.577 56.287 0.130 0.000 0.929 508 K CB -0.446 32.124 32.500 0.117 0.000 0.714 508 K HN 0.569 nan 8.250 nan 0.000 0.440 509 W N 2.560 123.907 121.300 0.078 0.000 2.317 509 W HA -0.268 4.392 4.660 -0.000 0.000 0.318 509 W C 2.150 178.797 176.519 0.212 0.000 1.227 509 W CA 1.798 59.224 57.345 0.135 0.000 1.269 509 W CB -0.230 29.323 29.460 0.155 0.000 1.155 509 W HN 0.139 nan 8.180 nan 0.000 0.484 510 Q N -0.456 119.583 119.800 0.399 0.000 2.181 510 Q HA -0.196 4.144 4.340 -0.000 0.000 0.205 510 Q C 2.299 178.350 176.000 0.084 0.000 0.980 510 Q CA 1.576 57.521 55.803 0.237 0.000 0.862 510 Q CB -0.663 28.233 28.738 0.264 0.000 0.905 510 Q HN 0.408 nan 8.270 nan 0.000 0.429 511 A N 0.360 123.194 122.820 0.024 0.000 2.178 511 A HA -0.114 4.206 4.320 -0.000 0.000 0.218 511 A C 1.780 179.283 177.584 -0.135 0.000 1.157 511 A CA 0.908 52.926 52.037 -0.031 0.000 0.689 511 A CB -0.349 18.645 19.000 -0.009 0.000 0.787 511 A HN 0.312 nan 8.150 nan 0.000 0.465 512 M N -1.331 118.081 119.600 -0.313 0.000 2.618 512 M HA 0.181 4.661 4.480 -0.000 0.000 0.240 512 M C -0.819 175.025 176.300 -0.760 0.000 1.123 512 M CA 0.380 55.368 55.300 -0.519 0.000 1.060 512 M CB 0.071 32.287 32.600 -0.640 0.000 1.535 512 M HN 0.339 nan 8.290 nan 0.000 0.507 513 F N -0.544 119.191 119.950 -0.358 0.000 2.508 513 F HA 0.253 4.780 4.527 -0.000 0.000 0.325 513 F C 1.306 176.961 175.800 -0.242 0.000 1.090 513 F CA -0.964 56.782 58.000 -0.424 0.000 0.945 513 F CB 0.913 39.569 39.000 -0.572 0.000 1.156 513 F HN -0.081 nan 8.300 nan 0.000 0.463 514 E N 0.666 120.854 120.200 -0.020 0.000 2.047 514 E HA -0.140 4.209 4.350 -0.000 0.000 0.191 514 E C -0.041 176.541 176.600 -0.029 0.000 0.987 514 E CA 1.147 57.531 56.400 -0.026 0.000 0.799 514 E CB 0.156 29.839 29.700 -0.029 0.000 0.752 514 E HN 0.469 nan 8.360 nan 0.000 0.449 515 E N 0.364 120.535 120.200 -0.047 0.000 2.224 515 E HA 0.213 4.563 4.350 -0.000 0.000 0.265 515 E C -1.433 175.055 176.600 -0.186 0.000 0.878 515 E CA -0.420 55.925 56.400 -0.091 0.000 0.759 515 E CB 1.969 31.610 29.700 -0.097 0.000 1.164 515 E HN -0.219 nan 8.360 nan 0.000 0.414 516 V N 6.838 126.637 119.914 -0.192 0.000 2.470 516 V HA 0.281 4.401 4.120 -0.000 0.000 0.276 516 V C -1.653 174.241 176.094 -0.334 0.000 1.040 516 V CA -1.154 60.946 62.300 -0.333 0.000 1.008 516 V CB 0.371 32.114 31.823 -0.132 0.000 0.990 516 V HN 0.695 nan 8.190 nan 0.000 0.477 517 P HA 0.405 nan 4.420 nan 0.000 0.277 517 P C -0.457 176.798 177.300 -0.075 0.000 1.240 517 P CA -0.387 62.533 63.100 -0.300 0.000 0.798 517 P CB 1.034 32.458 31.700 -0.460 0.000 0.979 518 A N 1.915 124.714 122.820 -0.034 0.000 2.425 518 A HA 0.164 4.484 4.320 -0.000 0.000 0.249 518 A C 0.529 178.160 177.584 0.079 0.000 1.084 518 A CA -0.098 51.943 52.037 0.007 0.000 0.781 518 A CB -0.261 18.729 19.000 -0.017 0.000 1.019 518 A HN 0.537 nan 8.150 nan 0.000 0.490 519 Q N 0.493 120.296 119.800 0.004 0.000 2.392 519 Q HA 0.375 4.715 4.340 -0.000 0.000 0.262 519 Q C -0.536 175.347 176.000 -0.196 0.000 1.003 519 Q CA 0.391 56.116 55.803 -0.130 0.000 0.888 519 Q CB 0.458 29.077 28.738 -0.198 0.000 1.260 519 Q HN 0.626 nan 8.270 nan 0.000 0.435 520 L N 2.570 123.552 121.223 -0.401 0.000 2.331 520 L HA 0.272 4.612 4.340 -0.000 0.000 0.278 520 L C 0.527 177.251 176.870 -0.243 0.000 1.106 520 L CA -0.425 54.216 54.840 -0.331 0.000 0.824 520 L CB 0.816 42.593 42.059 -0.469 0.000 1.142 520 L HN 0.782 nan 8.230 nan 0.000 0.443 521 T N -1.402 113.062 114.554 -0.150 0.000 2.849 521 T HA 0.112 4.462 4.350 -0.000 0.000 0.284 521 T C 1.033 175.679 174.700 -0.089 0.000 1.004 521 T CA -0.833 61.203 62.100 -0.106 0.000 1.021 521 T CB 1.451 70.282 68.868 -0.061 0.000 1.013 521 T HN 0.497 nan 8.240 nan 0.000 0.527 522 E N 0.940 121.099 120.200 -0.069 0.000 2.070 522 E HA -0.197 4.153 4.350 -0.000 0.000 0.197 522 E C 2.439 179.035 176.600 -0.007 0.000 1.004 522 E CA 1.755 58.131 56.400 -0.040 0.000 0.805 522 E CB -0.881 28.799 29.700 -0.033 0.000 0.744 522 E HN 0.847 nan 8.360 nan 0.000 0.451 523 A N 1.159 123.978 122.820 -0.002 0.000 1.908 523 A HA -0.235 4.085 4.320 -0.000 0.000 0.218 523 A C 2.073 179.687 177.584 0.050 0.000 1.181 523 A CA 1.825 53.876 52.037 0.023 0.000 0.627 523 A CB -0.528 18.482 19.000 0.017 0.000 0.818 523 A HN 0.253 nan 8.150 nan 0.000 0.445 524 E N -0.203 120.019 120.200 0.037 0.000 2.077 524 E HA -0.198 4.152 4.350 -0.000 0.000 0.193 524 E C 2.117 178.792 176.600 0.125 0.000 0.989 524 E CA 1.499 57.945 56.400 0.077 0.000 0.800 524 E CB -0.136 29.571 29.700 0.013 0.000 0.746 524 E HN 0.611 nan 8.360 nan 0.000 0.452 525 K N 0.866 121.298 120.400 0.053 0.000 2.026 525 K HA -0.136 4.184 4.320 -0.000 0.000 0.208 525 K C 2.202 178.912 176.600 0.182 0.000 1.048 525 K CA 0.867 57.214 56.287 0.100 0.000 0.929 525 K CB -0.107 32.401 32.500 0.014 0.000 0.713 525 K HN -0.057 nan 8.250 nan 0.000 0.439 526 K N 1.370 121.842 120.400 0.119 0.000 2.044 526 K HA -0.275 4.045 4.320 -0.000 0.000 0.210 526 K C 2.315 179.004 176.600 0.147 0.000 1.049 526 K CA 1.745 58.101 56.287 0.114 0.000 0.927 526 K CB -0.031 32.511 32.500 0.070 0.000 0.713 526 K HN 0.165 nan 8.250 nan 0.000 0.443 527 Q N -0.389 119.510 119.800 0.165 0.000 2.084 527 Q HA -0.188 4.152 4.340 -0.000 0.000 0.202 527 Q C 1.870 178.025 176.000 0.258 0.000 0.978 527 Q CA 1.667 57.578 55.803 0.180 0.000 0.844 527 Q CB -0.187 28.657 28.738 0.177 0.000 0.898 527 Q HN 0.498 nan 8.270 nan 0.000 0.426 528 W N 0.473 121.868 121.300 0.158 0.000 2.355 528 W HA -0.209 4.451 4.660 -0.000 0.000 0.309 528 W C 1.427 178.189 176.519 0.404 0.000 1.206 528 W CA 0.789 58.258 57.345 0.207 0.000 1.284 528 W CB -0.022 29.544 29.460 0.177 0.000 1.145 528 W HN 0.198 nan 8.180 nan 0.000 0.502 529 I N 1.783 122.595 120.570 0.404 0.000 2.248 529 I HA -0.286 3.884 4.170 -0.000 0.000 0.248 529 I C 2.673 178.869 176.117 0.132 0.000 1.107 529 I CA 1.755 63.274 61.300 0.365 0.000 1.373 529 I CB -2.074 36.085 38.000 0.265 0.000 1.055 529 I HN -0.019 nan 8.210 nan 0.000 0.418 530 A N 0.251 123.123 122.820 0.087 0.000 2.121 530 A HA -0.166 4.154 4.320 -0.000 0.000 0.218 530 A C 2.249 179.794 177.584 -0.065 0.000 1.154 530 A CA 1.063 53.103 52.037 0.005 0.000 0.679 530 A CB -0.460 18.555 19.000 0.025 0.000 0.795 530 A HN 0.389 nan 8.150 nan 0.000 0.458 531 K N -1.156 119.195 120.400 -0.082 0.000 2.366 531 K HA 0.092 4.412 4.320 -0.000 0.000 0.198 531 K C 0.100 176.505 176.600 -0.327 0.000 1.044 531 K CA -0.124 56.064 56.287 -0.165 0.000 0.973 531 K CB -0.177 32.182 32.500 -0.235 0.000 0.767 531 K HN 0.413 nan 8.250 nan 0.000 0.475 532 L N 1.674 122.555 121.223 -0.569 0.000 2.380 532 L HA 0.089 4.428 4.340 -0.000 0.000 0.273 532 L C 0.079 176.673 176.870 -0.460 0.000 1.138 532 L CA 0.564 54.856 54.840 -0.914 0.000 0.832 532 L CB 0.917 42.172 42.059 -1.340 0.000 1.124 532 L HN 0.089 nan 8.230 nan 0.000 0.454 533 T N 1.650 115.980 114.554 -0.373 0.000 2.865 533 T HA 0.709 5.059 4.350 -0.000 0.000 0.294 533 T C 0.235 174.840 174.700 -0.159 0.000 1.119 533 T CA -0.424 61.542 62.100 -0.224 0.000 1.007 533 T CB 1.365 70.135 68.868 -0.163 0.000 1.225 533 T HN 1.700 nan 8.240 nan 0.000 0.515 534 A N 0.034 122.782 122.820 -0.121 0.000 2.687 534 A HA 0.017 4.337 4.320 -0.000 0.000 0.299 534 A C 0.298 177.949 177.584 0.111 0.000 1.497 534 A CA 0.565 52.628 52.037 0.044 0.000 0.751 534 A CB -2.582 16.521 19.000 0.171 0.000 1.048 534 A HN 1.238 nan 8.150 nan 0.000 0.464 535 V N 0.500 120.414 119.914 -0.000 0.000 2.644 535 V HA 0.607 4.726 4.120 -0.000 0.000 0.295 535 V C 0.921 177.083 176.094 0.112 0.000 1.053 535 V CA 0.097 62.420 62.300 0.039 0.000 0.987 535 V CB 1.907 33.743 31.823 0.022 0.000 1.006 535 V HN 0.659 nan 8.190 nan 0.000 0.472 536 S N 3.158 118.918 115.700 0.100 0.000 2.638 536 S HA 0.846 5.316 4.470 -0.000 0.000 0.298 536 S C -0.793 173.783 174.600 -0.041 0.000 1.111 536 S CA -0.467 57.780 58.200 0.079 0.000 1.027 536 S CB 1.637 64.847 63.200 0.018 0.000 1.064 536 S HN 0.582 nan 8.310 nan 0.000 0.525 537 L N 1.399 122.575 121.223 -0.078 0.000 2.482 537 L HA 0.755 5.095 4.340 -0.000 0.000 0.263 537 L C -0.950 175.884 176.870 -0.061 0.000 0.957 537 L CA 0.017 54.753 54.840 -0.174 0.000 0.836 537 L CB 2.186 44.054 42.059 -0.317 0.000 1.324 537 L HN 0.601 nan 8.230 nan 0.000 0.406 538 S N 2.495 118.165 115.700 -0.050 0.000 2.532 538 S HA 0.773 5.243 4.470 -0.000 0.000 0.299 538 S C -1.200 173.383 174.600 -0.028 0.000 1.105 538 S CA -0.377 57.819 58.200 -0.007 0.000 1.018 538 S CB 1.478 64.687 63.200 0.015 0.000 1.021 538 S HN 0.822 nan 8.310 nan 0.000 0.483 539 S N 2.045 117.688 115.700 -0.095 0.000 2.472 539 S HA 0.334 4.804 4.470 -0.000 0.000 0.303 539 S C 0.753 175.255 174.600 -0.163 0.000 1.099 539 S CA -0.622 57.461 58.200 -0.196 0.000 1.077 539 S CB 1.041 63.869 63.200 -0.620 0.000 1.031 539 S HN 0.879 nan 8.310 nan 0.000 0.487 540 D N 3.381 123.727 120.400 -0.091 0.000 2.264 540 D HA 0.147 4.787 4.640 -0.000 0.000 0.208 540 D C 0.578 176.793 176.300 -0.142 0.000 0.966 540 D CA 0.856 54.825 54.000 -0.051 0.000 0.864 540 D CB -0.054 40.789 40.800 0.073 0.000 0.933 540 D HN 0.499 nan 8.370 nan 0.000 0.499 541 A N -0.825 121.874 122.820 -0.201 0.000 2.524 541 A HA 0.590 4.910 4.320 -0.000 0.000 0.286 541 A C -0.769 176.577 177.584 -0.398 0.000 1.203 541 A CA -0.960 50.870 52.037 -0.346 0.000 0.736 541 A CB 0.315 19.076 19.000 -0.398 0.000 1.322 541 A HN 0.156 nan 8.150 nan 0.000 0.424 542 F N -1.002 118.788 119.950 -0.267 0.000 2.496 542 F HA 0.613 5.139 4.527 -0.000 0.000 0.344 542 F C -0.644 175.010 175.800 -0.243 0.000 1.155 542 F CA -0.919 56.914 58.000 -0.277 0.000 1.302 542 F CB -0.326 38.543 39.000 -0.217 0.000 1.159 542 F HN 0.230 nan 8.300 nan 0.000 0.595 543 F N 3.502 123.598 119.950 0.244 0.000 2.471 543 F HA 0.295 4.822 4.527 -0.000 0.000 0.365 543 F C -1.459 174.465 175.800 0.206 0.000 1.095 543 F CA -2.083 56.017 58.000 0.166 0.000 1.174 543 F CB 0.260 39.344 39.000 0.139 0.000 1.105 543 F HN 0.337 nan 8.300 nan 0.000 0.535 544 P HA -0.099 nan 4.420 nan 0.000 0.216 544 P C -0.275 176.765 177.300 -0.434 0.000 1.153 544 P CA 1.518 64.558 63.100 -0.099 0.000 0.848 544 P CB 0.259 31.797 31.700 -0.269 0.000 0.787 545 F N -2.994 117.079 119.950 0.205 0.000 2.631 545 F HA 0.467 4.994 4.527 -0.000 0.000 0.328 545 F C 1.824 177.665 175.800 0.068 0.000 1.067 545 F CA -1.153 56.918 58.000 0.118 0.000 0.969 545 F CB 0.489 39.537 39.000 0.080 0.000 1.332 545 F HN -0.464 nan 8.300 nan 0.000 0.490 546 R N 0.644 121.312 120.500 0.281 0.000 2.159 546 R HA -0.157 4.183 4.340 -0.000 0.000 0.237 546 R C 1.314 177.634 176.300 0.033 0.000 1.131 546 R CA 2.075 58.237 56.100 0.104 0.000 0.982 546 R CB -0.449 29.902 30.300 0.085 0.000 0.868 546 R HN 0.826 nan 8.270 nan 0.000 0.453 547 D N -0.119 120.328 120.400 0.078 0.000 2.182 547 D HA -0.214 4.426 4.640 -0.000 0.000 0.201 547 D C 1.171 177.463 176.300 -0.012 0.000 0.986 547 D CA 1.111 55.133 54.000 0.037 0.000 0.847 547 D CB -0.838 40.001 40.800 0.065 0.000 0.942 547 D HN 0.234 nan 8.370 nan 0.000 0.467 548 N N 0.396 119.056 118.700 -0.066 0.000 2.120 548 N HA -0.100 4.640 4.740 -0.000 0.000 0.188 548 N C 2.029 177.340 175.510 -0.331 0.000 1.024 548 N CA 1.218 54.129 53.050 -0.232 0.000 0.852 548 N CB -0.047 38.112 38.487 -0.546 0.000 1.003 548 N HN 0.191 nan 8.380 nan 0.000 0.424 549 V N 2.174 121.885 119.914 -0.339 0.000 2.379 549 V HA -0.168 3.952 4.120 -0.000 0.000 0.245 549 V C 1.779 177.794 176.094 -0.131 0.000 1.044 549 V CA 1.494 63.637 62.300 -0.262 0.000 1.036 549 V CB -0.493 31.207 31.823 -0.204 0.000 0.664 549 V HN 0.161 nan 8.190 nan 0.000 0.453 550 D N 0.258 120.608 120.400 -0.083 0.000 2.106 550 D HA -0.234 4.405 4.640 -0.000 0.000 0.191 550 D C 2.276 178.563 176.300 -0.022 0.000 0.997 550 D CA 1.721 55.696 54.000 -0.042 0.000 0.834 550 D CB -0.304 40.482 40.800 -0.022 0.000 0.956 550 D HN 0.235 nan 8.370 nan 0.000 0.448 551 R N 1.292 121.788 120.500 -0.007 0.000 2.083 551 R HA -0.088 4.252 4.340 -0.000 0.000 0.237 551 R C 2.057 178.401 176.300 0.073 0.000 1.137 551 R CA 1.980 58.104 56.100 0.040 0.000 0.951 551 R CB -0.935 29.407 30.300 0.071 0.000 0.851 551 R HN 0.121 nan 8.270 nan 0.000 0.434 552 A N 0.458 123.311 122.820 0.055 0.000 1.902 552 A HA -0.171 4.149 4.320 -0.000 0.000 0.217 552 A C 2.084 179.704 177.584 0.060 0.000 1.181 552 A CA 1.937 54.042 52.037 0.113 0.000 0.623 552 A CB -0.600 18.359 19.000 -0.068 0.000 0.818 552 A HN 0.315 nan 8.150 nan 0.000 0.443 553 K N 0.299 120.687 120.400 -0.019 0.000 2.152 553 K HA -0.098 4.222 4.320 -0.000 0.000 0.206 553 K C 1.960 178.544 176.600 -0.028 0.000 1.048 553 K CA 1.550 57.809 56.287 -0.047 0.000 0.933 553 K CB -0.352 32.111 32.500 -0.062 0.000 0.721 553 K HN 0.488 nan 8.250 nan 0.000 0.447 554 R N -0.613 119.888 120.500 0.000 0.000 2.285 554 R HA -0.037 4.303 4.340 -0.000 0.000 0.213 554 R C 0.822 177.126 176.300 0.007 0.000 1.068 554 R CA 0.848 56.951 56.100 0.005 0.000 1.004 554 R CB -0.096 30.215 30.300 0.019 0.000 0.873 554 R HN 0.155 nan 8.270 nan 0.000 0.467 555 I N -0.386 120.193 120.570 0.016 0.000 3.762 555 I HA 0.241 4.411 4.170 -0.000 0.000 0.333 555 I C 0.531 176.615 176.117 -0.055 0.000 1.566 555 I CA -0.006 61.287 61.300 -0.010 0.000 1.129 555 I CB 0.497 38.479 38.000 -0.030 0.000 1.218 555 I HN 0.268 nan 8.210 nan 0.000 0.456 556 G N 0.656 109.408 108.800 -0.080 0.000 2.143 556 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.249 556 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.249 556 G C 0.342 175.166 174.900 -0.126 0.000 0.981 556 G CA 0.195 45.211 45.100 -0.140 0.000 0.665 556 G HN 0.269 nan 8.290 nan 0.000 0.528 557 V N 0.763 120.637 119.914 -0.067 0.000 2.540 557 V HA 0.232 4.352 4.120 -0.000 0.000 0.297 557 V C 1.369 177.315 176.094 -0.247 0.000 1.024 557 V CA 1.708 63.946 62.300 -0.103 0.000 1.105 557 V CB 1.589 33.375 31.823 -0.062 0.000 0.938 557 V HN 0.583 nan 8.190 nan 0.000 0.482 558 Q N 3.739 123.268 119.800 -0.452 0.000 2.245 558 Q HA 0.273 4.613 4.340 -0.000 0.000 0.236 558 Q C -0.706 174.699 176.000 -0.991 0.000 0.842 558 Q CA 0.150 55.454 55.803 -0.831 0.000 0.945 558 Q CB 0.646 28.679 28.738 -1.175 0.000 1.122 558 Q HN 0.690 nan 8.270 nan 0.000 0.506 559 F N 0.708 120.597 119.950 -0.102 0.000 2.557 559 F HA 0.555 5.082 4.527 -0.000 0.000 0.316 559 F C -0.567 175.160 175.800 -0.122 0.000 1.141 559 F CA -0.857 57.069 58.000 -0.123 0.000 0.922 559 F CB 1.457 40.363 39.000 -0.157 0.000 1.194 559 F HN -0.177 nan 8.300 nan 0.000 0.443 560 I N 3.251 123.856 120.570 0.059 0.000 2.582 560 I HA 0.559 4.729 4.170 -0.000 0.000 0.292 560 I C -1.371 174.781 176.117 0.059 0.000 1.066 560 I CA -1.178 60.154 61.300 0.054 0.000 1.053 560 I CB 2.468 40.521 38.000 0.088 0.000 1.241 560 I HN 0.394 nan 8.210 nan 0.000 0.421 561 V N 5.628 125.584 119.914 0.071 0.000 2.540 561 V HA 0.952 5.072 4.120 -0.000 0.000 0.302 561 V C -0.727 175.428 176.094 0.101 0.000 1.035 561 V CA -0.015 62.354 62.300 0.116 0.000 0.873 561 V CB 1.545 33.478 31.823 0.184 0.000 0.992 561 V HN 0.916 nan 8.190 nan 0.000 0.428 562 A N 7.057 129.950 122.820 0.122 0.000 2.605 562 A HA 0.903 5.223 4.320 -0.000 0.000 0.294 562 A C -3.275 174.359 177.584 0.082 0.000 1.062 562 A CA -1.342 50.697 52.037 0.003 0.000 0.682 562 A CB 2.091 20.985 19.000 -0.177 0.000 1.278 562 A HN 0.614 nan 8.150 nan 0.000 0.410 563 P HA 0.269 nan 4.420 nan 0.000 0.270 563 P C 0.248 177.457 177.300 -0.152 0.000 1.223 563 P CA 0.102 63.170 63.100 -0.053 0.000 0.785 563 P CB 0.791 32.442 31.700 -0.082 0.000 0.923 564 S N 0.268 115.780 115.700 -0.312 0.000 2.713 564 S HA 0.687 5.157 4.470 -0.000 0.000 0.277 564 S C 0.967 175.344 174.600 -0.371 0.000 1.168 564 S CA 0.152 57.978 58.200 -0.623 0.000 0.994 564 S CB 0.705 63.548 63.200 -0.596 0.000 1.054 564 S HN 0.803 nan 8.310 nan 0.000 0.555 565 G N -0.612 107.853 108.800 -0.558 0.000 2.425 565 G HA2 -0.096 3.864 3.960 -0.000 0.000 0.177 565 G HA3 -0.096 3.864 3.960 -0.000 0.000 0.177 565 G C 0.081 174.201 174.900 -1.299 0.000 0.999 565 G CA 0.039 44.700 45.100 -0.731 0.000 0.723 565 G HN 1.110 nan 8.290 nan 0.000 0.491 566 S N 0.644 115.541 115.700 -1.338 0.000 2.564 566 S HA 0.598 5.068 4.470 -0.000 0.000 0.278 566 S C 1.847 176.171 174.600 -0.460 0.000 1.333 566 S CA 0.875 58.505 58.200 -0.951 0.000 1.048 566 S CB 1.226 64.162 63.200 -0.440 0.000 0.900 566 S HN 1.506 nan 8.310 nan 0.000 0.505 567 A N 3.908 126.532 122.820 -0.327 0.000 2.125 567 A HA 0.174 4.494 4.320 -0.000 0.000 0.219 567 A C 1.699 179.226 177.584 -0.095 0.000 1.156 567 A CA 1.487 53.423 52.037 -0.168 0.000 0.671 567 A CB -0.664 18.276 19.000 -0.101 0.000 0.794 567 A HN 1.222 nan 8.150 nan 0.000 0.459 568 A N -0.902 121.857 122.820 -0.102 0.000 2.610 568 A HA 0.357 4.677 4.320 -0.000 0.000 0.286 568 A C 0.895 178.493 177.584 0.023 0.000 1.306 568 A CA 0.335 52.378 52.037 0.010 0.000 0.942 568 A CB -0.230 18.840 19.000 0.118 0.000 1.112 568 A HN 0.258 nan 8.150 nan 0.000 0.527 569 D N 0.738 121.122 120.400 -0.026 0.000 2.149 569 D HA -0.174 4.466 4.640 -0.000 0.000 0.194 569 D C 1.667 178.033 176.300 0.110 0.000 1.001 569 D CA 1.373 55.403 54.000 0.050 0.000 0.849 569 D CB 0.215 41.000 40.800 -0.025 0.000 0.939 569 D HN 0.422 nan 8.370 nan 0.000 0.449 570 E N -0.127 120.110 120.200 0.061 0.000 2.152 570 E HA -0.056 4.294 4.350 -0.000 0.000 0.192 570 E C 2.339 178.972 176.600 0.056 0.000 0.983 570 E CA 0.225 56.658 56.400 0.054 0.000 0.818 570 E CB -0.073 29.647 29.700 0.033 0.000 0.758 570 E HN 0.201 nan 8.360 nan 0.000 0.467 571 V N 0.822 120.777 119.914 0.068 0.000 2.548 571 V HA -0.148 3.972 4.120 -0.000 0.000 0.249 571 V C 2.454 178.592 176.094 0.074 0.000 1.055 571 V CA 0.865 63.208 62.300 0.071 0.000 1.065 571 V CB -0.285 31.596 31.823 0.096 0.000 0.681 571 V HN 0.045 nan 8.190 nan 0.000 0.462 572 V N 0.083 120.057 119.914 0.099 0.000 2.307 572 V HA -0.215 3.905 4.120 -0.000 0.000 0.245 572 V C 2.212 178.337 176.094 0.052 0.000 1.045 572 V CA 1.944 64.305 62.300 0.100 0.000 1.024 572 V CB -0.487 31.448 31.823 0.187 0.000 0.651 572 V HN 0.418 nan 8.190 nan 0.000 0.449 573 I N 0.065 120.666 120.570 0.052 0.000 2.163 573 I HA -0.274 3.896 4.170 -0.000 0.000 0.243 573 I C 2.586 178.697 176.117 -0.010 0.000 1.085 573 I CA 1.784 63.081 61.300 -0.005 0.000 1.347 573 I CB -0.365 37.636 38.000 0.002 0.000 1.044 573 I HN 0.307 nan 8.210 nan 0.000 0.408 574 E N 0.775 120.979 120.200 0.006 0.000 2.150 574 E HA -0.126 4.224 4.350 -0.000 0.000 0.193 574 E C 2.232 178.827 176.600 -0.009 0.000 0.985 574 E CA 1.183 57.583 56.400 -0.001 0.000 0.814 574 E CB -0.195 29.509 29.700 0.007 0.000 0.752 574 E HN 0.461 nan 8.360 nan 0.000 0.466 575 A N 0.187 123.003 122.820 -0.005 0.000 1.873 575 A HA -0.280 4.040 4.320 -0.000 0.000 0.218 575 A C 2.416 179.976 177.584 -0.040 0.000 1.193 575 A CA 1.698 53.724 52.037 -0.019 0.000 0.629 575 A CB -1.125 17.866 19.000 -0.015 0.000 0.826 575 A HN 0.446 nan 8.150 nan 0.000 0.447 576 C N -0.510 118.762 119.300 -0.047 0.000 2.413 576 C HA -0.114 4.346 4.460 -0.000 0.000 0.276 576 C C 2.706 177.660 174.990 -0.061 0.000 1.248 576 C CA 1.098 60.077 59.018 -0.066 0.000 1.742 576 C CB -1.592 26.106 27.740 -0.070 0.000 2.017 576 C HN 0.654 nan 8.230 nan 0.000 0.481 577 N N 1.263 119.935 118.700 -0.045 0.000 2.036 577 N HA -0.170 4.570 4.740 -0.000 0.000 0.195 577 N C 1.626 177.113 175.510 -0.038 0.000 1.037 577 N CA 1.981 55.008 53.050 -0.038 0.000 0.855 577 N CB -0.734 37.738 38.487 -0.026 0.000 1.033 577 N HN 0.746 nan 8.380 nan 0.000 0.423 578 E N 0.220 120.400 120.200 -0.034 0.000 2.338 578 E HA -0.071 4.279 4.350 -0.000 0.000 0.197 578 E C 1.146 177.721 176.600 -0.043 0.000 1.007 578 E CA 0.641 57.021 56.400 -0.033 0.000 0.849 578 E CB -0.189 29.496 29.700 -0.025 0.000 0.774 578 E HN 0.359 nan 8.360 nan 0.000 0.506 579 L N 0.297 121.487 121.223 -0.056 0.000 2.769 579 L HA 0.343 4.683 4.340 -0.000 0.000 0.240 579 L C 1.139 177.955 176.870 -0.090 0.000 1.163 579 L CA 0.110 54.908 54.840 -0.070 0.000 0.962 579 L CB 0.381 42.395 42.059 -0.075 0.000 1.258 579 L HN 0.355 nan 8.230 nan 0.000 0.513 580 G N 1.143 109.893 108.800 -0.084 0.000 2.166 580 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.260 580 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.260 580 G C 0.291 175.103 174.900 -0.146 0.000 0.986 580 G CA 0.125 45.164 45.100 -0.101 0.000 0.683 580 G HN 0.349 nan 8.290 nan 0.000 0.527 581 I N 1.304 121.789 120.570 -0.143 0.000 2.474 581 I HA 0.268 4.438 4.170 -0.000 0.000 0.287 581 I C 0.686 176.733 176.117 -0.116 0.000 1.048 581 I CA -0.179 61.015 61.300 -0.177 0.000 1.383 581 I CB 1.239 39.146 38.000 -0.156 0.000 1.412 581 I HN -0.008 nan 8.210 nan 0.000 0.531 582 T N 7.393 121.888 114.554 -0.098 0.000 2.743 582 T HA 0.418 4.768 4.350 -0.000 0.000 0.293 582 T C -0.448 174.254 174.700 0.004 0.000 0.945 582 T CA -0.292 61.812 62.100 0.007 0.000 1.030 582 T CB 0.789 69.752 68.868 0.159 0.000 0.912 582 T HN 0.208 nan 8.240 nan 0.000 0.483 583 L N 5.639 126.845 121.223 -0.029 0.000 2.341 583 L HA 0.613 4.953 4.340 -0.000 0.000 0.278 583 L C -1.254 175.580 176.870 -0.060 0.000 1.005 583 L CA -0.760 54.045 54.840 -0.057 0.000 0.818 583 L CB 0.958 42.936 42.059 -0.135 0.000 1.259 583 L HN 0.428 nan 8.230 nan 0.000 0.418 584 I N 4.367 124.935 120.570 -0.004 0.000 2.354 584 I HA 0.327 4.497 4.170 -0.000 0.000 0.292 584 I C -0.184 175.995 176.117 0.103 0.000 0.989 584 I CA -0.323 61.017 61.300 0.067 0.000 1.188 584 I CB 0.966 39.076 38.000 0.183 0.000 1.342 584 I HN 0.661 nan 8.210 nan 0.000 0.457 585 H N 3.723 122.836 119.070 0.071 0.000 2.504 585 H HA 0.406 4.962 4.556 -0.000 0.000 0.322 585 H C 0.371 175.719 175.328 0.032 0.000 1.055 585 H CA -0.442 55.634 56.048 0.048 0.000 1.231 585 H CB 1.581 31.361 29.762 0.030 0.000 1.417 585 H HN 0.699 nan 8.280 nan 0.000 0.472 586 T N -0.177 114.462 114.554 0.141 0.000 2.923 586 T HA 0.120 4.470 4.350 -0.000 0.000 0.281 586 T C 0.706 175.403 174.700 -0.006 0.000 0.995 586 T CA -1.004 61.126 62.100 0.050 0.000 0.985 586 T CB 1.359 70.243 68.868 0.026 0.000 1.114 586 T HN 0.644 nan 8.240 nan 0.000 0.548 587 N N 0.176 118.857 118.700 -0.030 0.000 2.321 587 N HA 0.208 4.948 4.740 -0.000 0.000 0.242 587 N C -0.655 174.813 175.510 -0.070 0.000 1.141 587 N CA -0.150 52.868 53.050 -0.053 0.000 0.864 587 N CB 0.132 38.590 38.487 -0.048 0.000 1.100 587 N HN 0.476 nan 8.380 nan 0.000 0.510 588 L N 1.925 123.104 121.223 -0.073 0.000 2.295 588 L HA 0.388 4.728 4.340 -0.000 0.000 0.281 588 L C -0.295 176.502 176.870 -0.122 0.000 1.018 588 L CA -0.421 54.364 54.840 -0.091 0.000 0.841 588 L CB 1.022 43.031 42.059 -0.084 0.000 1.218 588 L HN 0.076 nan 8.230 nan 0.000 0.424 589 R N 4.136 124.539 120.500 -0.162 0.000 2.404 589 R HA 0.444 4.784 4.340 -0.000 0.000 0.291 589 R C -0.287 175.895 176.300 -0.198 0.000 1.025 589 R CA -0.413 55.536 56.100 -0.251 0.000 0.991 589 R CB 0.956 31.017 30.300 -0.397 0.000 1.053 589 R HN 0.696 nan 8.270 nan 0.000 0.479 590 L N 4.990 126.110 121.223 -0.172 0.000 3.209 590 L HA 0.312 4.651 4.340 -0.000 0.000 0.279 590 L C -0.625 176.291 176.870 0.077 0.000 1.301 590 L CA -0.605 54.192 54.840 -0.072 0.000 1.004 590 L CB 0.116 42.122 42.059 -0.087 0.000 1.402 590 L HN 0.478 nan 8.230 nan 0.000 0.577 591 F N 0.764 120.663 119.950 -0.086 0.000 2.629 591 F HA 0.064 4.591 4.527 -0.000 0.000 0.377 591 F C 0.749 176.506 175.800 -0.071 0.000 1.101 591 F CA 0.041 57.983 58.000 -0.097 0.000 1.301 591 F CB -0.219 38.753 39.000 -0.047 0.000 1.062 591 F HN 0.181 nan 8.300 nan 0.000 0.583 592 H N 3.206 122.167 119.070 -0.181 0.000 2.934 592 H HA 0.441 4.997 4.556 -0.000 0.000 0.340 592 H C -1.169 173.902 175.328 -0.428 0.000 1.008 592 H CA -0.379 55.553 56.048 -0.192 0.000 1.317 592 H CB 0.698 30.387 29.762 -0.122 0.000 1.670 592 H HN 0.574 nan 8.280 nan 0.000 0.516 593 H N 0.000 118.846 119.070 -0.374 0.000 2.539 593 H HA 0.000 4.556 4.556 -0.000 0.000 0.296 593 H CA 0.000 55.866 56.048 -0.304 0.000 1.023 593 H CB 0.000 29.674 29.762 -0.147 0.000 1.292 593 H HN 0.000 nan 8.280 nan 0.000 0.496