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 2x42_1_A DATA FIRST_RESID 2 DATA SEQUENCE EKVNEILSQL TLEEKVKLVV GVGLPGLFGN PHSRVAGAAG ETHPVPRVGL DATA SEQUENCE PAFVLADGPA GLRINPTREN DENTYYTTAF PVEIMLASTW NRELLEEVGK DATA SEQUENCE AMGEEVREYG VDVLLAPAMN IHRNPLCGRN FEYYSEDPVL SGEMASSFVK DATA SEQUENCE GVQSQGVGAC IKHFVANNQE TNRMVVDTIV SERALREIYL RGFEIAVKKS DATA SEQUENCE KPWSVMSAYN KLNGKYCSQN EWLLKKVLRE EWGFEGFVMS AWYAGDNPVE DATA SEQUENCE QLKAGNDLIM PGKAYQVNTE RRDEIEEIME ALKEGKLSEE VLDECVRNIL DATA SEQUENCE KVLVNAPSFK NYRYSNKPDL EKHAKVAYEA GAEGVVLLRN EEALPLSENS DATA SEQUENCE KIALFGTGQI ETIKGGTGSG DTHPRYAISI LEGIKERGLN FDEELAKTYE DATA SEQUENCE DYIKKMRETE EYKPRRXXXX XIIKPKLPEN FLSEKEIHKL AKKNDVAVIV DATA SEQUENCE ISRISGEGYD RKPVKGDFYL SDDETDLIKT VSREFHEQGK KVIVLLNIGS DATA SEQUENCE PVEVVSWRDL VDGILLVWQA GQETGRIVAD VLTGRINPSG KLPTTFPRDY DATA SEQUENCE SDVPSWTFPG EPKDNPQKVV YEEDIYVGYR YYDTFGVEPA YEFGYGLSYT DATA SEQUENCE TFEYSDLNVS FDGETLRVQY RIENTGGRAG KEVSQVYIKA PKGKIDKPFQ DATA SEQUENCE ELKAFHKTRL LNPGESEEVV LEIPVRDLAS FNGEEWVVEA GEYEVRVGAS DATA SEQUENCE SRNIKLKGTF SVGEERRFKP 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 2 E HA 0.000 nan 4.350 nan 0.000 0.291 2 E C 0.000 176.587 176.600 -0.021 0.000 1.382 2 E CA 0.000 56.385 56.400 -0.024 0.000 0.976 2 E CB 0.000 29.693 29.700 -0.012 0.000 0.812 3 K N 0.832 121.221 120.400 -0.019 0.000 2.034 3 K HA -0.114 4.138 4.320 -0.114 0.000 0.214 3 K C 1.913 178.495 176.600 -0.030 0.000 1.051 3 K CA 2.031 58.315 56.287 -0.005 0.000 0.931 3 K CB -0.806 31.692 32.500 -0.002 0.000 0.715 3 K HN 0.135 nan 8.250 nan 0.000 0.446 4 V N 1.830 121.697 119.914 -0.077 0.000 2.252 4 V HA -0.316 3.736 4.120 -0.114 0.000 0.249 4 V C 1.704 177.765 176.094 -0.056 0.000 1.056 4 V CA 2.184 64.428 62.300 -0.092 0.000 1.022 4 V CB -0.636 31.112 31.823 -0.125 0.000 0.641 4 V HN 0.378 nan 8.190 nan 0.000 0.445 5 N N -0.257 118.415 118.700 -0.047 0.000 2.348 5 N HA -0.175 4.497 4.740 -0.114 0.000 0.185 5 N C 1.791 177.291 175.510 -0.018 0.000 1.019 5 N CA 1.327 54.358 53.050 -0.033 0.000 0.880 5 N CB -0.288 38.181 38.487 -0.030 0.000 0.965 5 N HN 0.609 nan 8.380 nan 0.000 0.437 6 E N 1.056 121.250 120.200 -0.010 0.000 2.016 6 E HA 0.064 4.345 4.350 -0.114 0.000 0.190 6 E C 1.954 178.561 176.600 0.012 0.000 0.985 6 E CA 0.681 57.084 56.400 0.005 0.000 0.802 6 E CB -0.286 29.424 29.700 0.016 0.000 0.762 6 E HN 0.257 nan 8.360 nan 0.000 0.448 7 I N 0.523 121.104 120.570 0.020 0.000 2.151 7 I HA -0.266 3.836 4.170 -0.114 0.000 0.243 7 I C 2.268 178.392 176.117 0.012 0.000 1.080 7 I CA 0.632 61.951 61.300 0.031 0.000 1.339 7 I CB -0.380 37.647 38.000 0.045 0.000 1.039 7 I HN 0.249 nan 8.210 nan 0.000 0.409 8 L N 1.045 122.263 121.223 -0.007 0.000 2.043 8 L HA -0.237 4.035 4.340 -0.114 0.000 0.212 8 L C 2.876 179.741 176.870 -0.008 0.000 1.075 8 L CA 2.630 57.462 54.840 -0.015 0.000 0.752 8 L CB -1.274 40.769 42.059 -0.028 0.000 0.891 8 L HN 0.438 nan 8.230 nan 0.000 0.432 9 S N -1.698 113.999 115.700 -0.005 0.000 2.447 9 S HA -0.197 4.205 4.470 -0.114 0.000 0.233 9 S C 1.715 176.316 174.600 0.002 0.000 1.006 9 S CA 0.947 59.145 58.200 -0.003 0.000 0.957 9 S CB -0.233 62.966 63.200 -0.002 0.000 0.773 9 S HN 0.622 nan 8.310 nan 0.000 0.507 10 Q N 0.210 120.014 119.800 0.007 0.000 2.302 10 Q HA 0.345 4.617 4.340 -0.114 0.000 0.202 10 Q C 0.122 176.128 176.000 0.009 0.000 0.936 10 Q CA 0.038 55.847 55.803 0.010 0.000 0.886 10 Q CB -0.052 28.697 28.738 0.019 0.000 0.986 10 Q HN 0.521 nan 8.270 nan 0.000 0.487 11 L N 2.160 123.388 121.223 0.008 0.000 2.456 11 L HA 0.049 4.321 4.340 -0.114 0.000 0.272 11 L C 0.815 177.685 176.870 -0.001 0.000 1.189 11 L CA -0.306 54.538 54.840 0.005 0.000 0.846 11 L CB 0.395 42.456 42.059 0.003 0.000 1.111 11 L HN 0.168 nan 8.230 nan 0.000 0.475 12 T N -0.352 114.201 114.554 -0.002 0.000 2.816 12 T HA 0.164 4.445 4.350 -0.114 0.000 0.282 12 T C 0.965 175.658 174.700 -0.011 0.000 0.993 12 T CA -0.786 61.310 62.100 -0.006 0.000 0.994 12 T CB 1.134 69.998 68.868 -0.007 0.000 1.025 12 T HN 0.473 nan 8.240 nan 0.000 0.529 13 L N 0.605 121.820 121.223 -0.013 0.000 2.013 13 L HA -0.049 4.223 4.340 -0.114 0.000 0.212 13 L C 2.760 179.616 176.870 -0.024 0.000 1.073 13 L CA 2.309 57.139 54.840 -0.017 0.000 0.753 13 L CB -0.985 41.065 42.059 -0.015 0.000 0.890 13 L HN 0.998 nan 8.230 nan 0.000 0.432 14 E N -0.732 119.453 120.200 -0.025 0.000 2.110 14 E HA -0.261 4.021 4.350 -0.114 0.000 0.193 14 E C 1.965 178.536 176.600 -0.049 0.000 0.988 14 E CA 1.519 57.897 56.400 -0.036 0.000 0.804 14 E CB -0.098 29.583 29.700 -0.031 0.000 0.745 14 E HN 0.669 nan 8.360 nan 0.000 0.458 15 E N 0.324 120.504 120.200 -0.034 0.000 2.106 15 E HA -0.169 4.113 4.350 -0.114 0.000 0.192 15 E C 2.062 178.642 176.600 -0.034 0.000 0.984 15 E CA 0.997 57.378 56.400 -0.032 0.000 0.806 15 E CB 0.052 29.747 29.700 -0.008 0.000 0.750 15 E HN 0.180 nan 8.360 nan 0.000 0.458 16 K N 0.444 120.827 120.400 -0.028 0.000 2.063 16 K HA -0.137 4.115 4.320 -0.114 0.000 0.208 16 K C 2.163 178.738 176.600 -0.041 0.000 1.048 16 K CA 1.268 57.538 56.287 -0.029 0.000 0.928 16 K CB -0.105 32.381 32.500 -0.024 0.000 0.713 16 K HN -0.021 nan 8.250 nan 0.000 0.442 17 V N 1.800 121.683 119.914 -0.051 0.000 2.343 17 V HA -0.252 3.800 4.120 -0.114 0.000 0.247 17 V C 2.024 178.055 176.094 -0.104 0.000 1.051 17 V CA 1.669 63.932 62.300 -0.062 0.000 1.036 17 V CB -0.403 31.386 31.823 -0.057 0.000 0.654 17 V HN 0.287 nan 8.190 nan 0.000 0.451 18 K N -0.214 120.087 120.400 -0.166 0.000 2.113 18 K HA -0.165 4.087 4.320 -0.114 0.000 0.208 18 K C 2.075 178.581 176.600 -0.155 0.000 1.047 18 K CA 1.409 57.483 56.287 -0.356 0.000 0.928 18 K CB -0.324 31.935 32.500 -0.401 0.000 0.716 18 K HN 0.375 nan 8.250 nan 0.000 0.446 19 L N 0.642 121.841 121.223 -0.041 0.000 2.217 19 L HA -0.110 4.162 4.340 -0.114 0.000 0.211 19 L C 1.989 178.866 176.870 0.011 0.000 1.107 19 L CA 0.640 55.497 54.840 0.028 0.000 0.783 19 L CB -0.169 41.896 42.059 0.010 0.000 0.919 19 L HN 0.080 nan 8.230 nan 0.000 0.442 20 V N -3.823 116.083 119.914 -0.013 0.000 3.633 20 V HA 0.179 4.231 4.120 -0.114 0.000 0.283 20 V C 0.513 176.609 176.094 0.003 0.000 1.305 20 V CA -0.222 62.069 62.300 -0.015 0.000 1.153 20 V CB -0.178 31.634 31.823 -0.019 0.000 0.950 20 V HN -0.001 nan 8.190 nan 0.000 0.432 21 V N 0.968 120.905 119.914 0.037 0.000 2.588 21 V HA 0.816 4.868 4.120 -0.114 0.000 0.304 21 V C 0.982 177.165 176.094 0.148 0.000 1.042 21 V CA -0.091 62.243 62.300 0.057 0.000 0.877 21 V CB 1.222 33.075 31.823 0.050 0.000 0.996 21 V HN 0.417 nan 8.190 nan 0.000 0.425 22 G N 1.582 110.382 108.800 0.000 0.000 2.667 22 G HA2 0.348 4.240 3.960 -0.114 0.000 0.250 22 G HA3 0.348 4.240 3.960 -0.114 0.000 0.250 22 G C 0.923 175.779 174.900 -0.072 0.000 1.212 22 G CA 0.242 45.297 45.100 -0.075 0.000 0.874 22 G HN 1.238 nan 8.290 nan 0.000 0.561 23 V N -1.350 118.427 119.914 -0.229 0.000 3.646 23 V HA 0.549 4.601 4.120 -0.114 0.000 0.277 23 V C 1.109 177.139 176.094 -0.107 0.000 1.274 23 V CA 0.356 62.473 62.300 -0.306 0.000 1.164 23 V CB -1.348 30.224 31.823 -0.420 0.000 0.926 23 V HN 2.102 nan 8.190 nan 0.000 0.442 24 G N 0.111 108.854 108.800 -0.095 0.000 2.629 24 G HA2 -0.015 3.877 3.960 -0.114 0.000 0.686 24 G HA3 -0.015 3.877 3.960 -0.114 0.000 0.686 24 G C -1.002 173.892 174.900 -0.010 0.000 1.232 24 G CA -0.404 44.672 45.100 -0.040 0.000 0.803 24 G HN 0.682 nan 8.290 nan 0.000 0.638 25 L N 2.769 124.054 121.223 0.103 0.000 2.597 25 L HA 0.438 4.709 4.340 -0.114 0.000 0.271 25 L C -1.548 175.362 176.870 0.066 0.000 1.157 25 L CA -1.151 53.775 54.840 0.144 0.000 0.928 25 L CB 0.102 42.362 42.059 0.334 0.000 1.216 25 L HN 0.388 nan 8.230 nan 0.000 0.481 26 P HA 0.204 nan 4.420 nan 0.000 0.268 26 P C 0.685 177.914 177.300 -0.118 0.000 1.204 26 P CA 0.673 63.765 63.100 -0.014 0.000 0.768 26 P CB 0.738 32.462 31.700 0.040 0.000 0.842 27 G N 1.666 110.302 108.800 -0.274 0.000 2.184 27 G HA2 -0.245 3.647 3.960 -0.114 0.000 0.264 27 G HA3 -0.245 3.647 3.960 -0.114 0.000 0.264 27 G C -0.152 174.494 174.900 -0.422 0.000 0.975 27 G CA -0.091 44.634 45.100 -0.625 0.000 0.642 27 G HN 0.463 nan 8.290 nan 0.000 0.536 28 L N -0.915 120.101 121.223 -0.345 0.000 2.319 28 L HA 0.770 5.042 4.340 -0.114 0.000 0.267 28 L C 1.392 177.975 176.870 -0.480 0.000 1.011 28 L CA -1.130 53.371 54.840 -0.565 0.000 0.818 28 L CB 0.990 42.506 42.059 -0.905 0.000 1.316 28 L HN 0.169 nan 8.230 nan 0.000 0.432 29 F N 0.164 120.104 119.950 -0.016 0.000 2.183 29 F HA -0.297 4.162 4.527 -0.114 0.000 0.318 29 F C 1.646 177.439 175.800 -0.012 0.000 0.302 29 F CA 1.155 59.150 58.000 -0.009 0.000 0.912 29 F CB -1.857 37.136 39.000 -0.011 0.000 4.134 29 F HN 0.596 nan 8.300 nan 0.000 0.138 30 G N 0.753 109.695 108.800 0.237 0.000 2.598 30 G HA2 -0.039 3.853 3.960 -0.114 0.000 0.215 30 G HA3 -0.039 3.853 3.960 -0.114 0.000 0.215 30 G C 0.314 175.255 174.900 0.067 0.000 1.131 30 G CA 0.588 45.761 45.100 0.122 0.000 0.785 30 G HN 0.514 nan 8.290 nan 0.000 0.539 31 N N 1.676 120.412 118.700 0.060 0.000 2.513 31 N HA 0.273 4.945 4.740 -0.114 0.000 0.268 31 N C -2.624 172.850 175.510 -0.061 0.000 1.180 31 N CA -1.262 51.795 53.050 0.012 0.000 0.948 31 N CB 0.982 39.486 38.487 0.029 0.000 1.083 31 N HN 0.016 nan 8.380 nan 0.000 0.455 32 P HA 0.039 nan 4.420 nan 0.000 0.269 32 P C 0.058 177.322 177.300 -0.061 0.000 1.215 32 P CA 0.158 63.239 63.100 -0.032 0.000 0.780 32 P CB 0.415 32.122 31.700 0.012 0.000 0.898 33 H N 0.034 119.098 119.070 -0.010 0.000 2.871 33 H HA 0.034 4.522 4.556 -0.114 0.000 0.355 33 H C 0.945 176.264 175.328 -0.014 0.000 1.092 33 H CA 0.523 56.560 56.048 -0.019 0.000 1.420 33 H CB 0.637 30.380 29.762 -0.033 0.000 1.400 33 H HN 0.368 nan 8.280 nan 0.000 0.604 34 S N 1.569 117.345 115.700 0.127 0.000 2.573 34 S HA -0.039 4.363 4.470 -0.114 0.000 0.277 34 S C 1.561 176.195 174.600 0.057 0.000 1.346 34 S CA -0.442 57.802 58.200 0.073 0.000 1.034 34 S CB 0.523 63.764 63.200 0.068 0.000 0.879 34 S HN 0.752 nan 8.310 nan 0.000 0.528 35 R N 1.815 122.339 120.500 0.041 0.000 2.241 35 R HA 0.021 4.293 4.340 -0.114 0.000 0.224 35 R C -0.013 176.289 176.300 0.004 0.000 1.101 35 R CA 0.972 57.094 56.100 0.037 0.000 0.995 35 R CB -0.546 29.795 30.300 0.068 0.000 0.870 35 R HN 0.334 nan 8.270 nan 0.000 0.463 36 V N 2.135 122.038 119.914 -0.018 0.000 2.257 36 V HA 0.407 4.459 4.120 -0.114 0.000 0.269 36 V C 0.260 176.301 176.094 -0.088 0.000 1.040 36 V CA -0.956 61.293 62.300 -0.085 0.000 0.813 36 V CB 0.726 32.505 31.823 -0.073 0.000 1.065 36 V HN 0.399 nan 8.190 nan 0.000 0.457 37 A N 3.439 126.161 122.820 -0.164 0.000 2.548 37 A HA 0.488 4.740 4.320 -0.114 0.000 0.247 37 A C 1.575 179.114 177.584 -0.074 0.000 1.067 37 A CA 0.983 52.944 52.037 -0.127 0.000 0.757 37 A CB -0.331 18.463 19.000 -0.343 0.000 0.996 37 A HN 2.009 nan 8.150 nan 0.000 0.504 38 G N 0.970 109.805 108.800 0.058 0.000 2.213 38 G HA2 0.163 4.055 3.960 -0.114 0.000 0.236 38 G HA3 0.163 4.055 3.960 -0.114 0.000 0.236 38 G C 0.672 175.613 174.900 0.068 0.000 0.991 38 G CA 0.383 45.518 45.100 0.058 0.000 0.629 38 G HN 2.236 nan 8.290 nan 0.000 0.517 39 A N 0.413 123.269 122.820 0.060 0.000 2.507 39 A HA 0.713 4.965 4.320 -0.114 0.000 0.235 39 A C 1.799 179.466 177.584 0.138 0.000 1.070 39 A CA 1.111 53.197 52.037 0.083 0.000 0.768 39 A CB 0.360 19.406 19.000 0.077 0.000 1.011 39 A HN 1.797 nan 8.150 nan 0.000 0.502 40 A N 1.531 124.455 122.820 0.173 0.000 2.014 40 A HA 0.455 4.707 4.320 -0.114 0.000 0.218 40 A C 1.206 179.116 177.584 0.545 0.000 1.163 40 A CA 1.619 53.837 52.037 0.302 0.000 0.652 40 A CB -0.432 18.627 19.000 0.099 0.000 0.808 40 A HN 2.216 nan 8.150 nan 0.000 0.449 41 G N -1.594 107.438 108.800 0.387 0.000 2.547 41 G HA2 0.530 4.422 3.960 -0.114 0.000 0.291 41 G HA3 0.530 4.422 3.960 -0.114 0.000 0.291 41 G C -1.669 173.324 174.900 0.155 0.000 1.471 41 G CA -0.596 44.653 45.100 0.248 0.000 0.798 41 G HN 0.128 nan 8.290 nan 0.000 0.504 42 E N -0.413 119.821 120.200 0.057 0.000 2.340 42 E HA 0.565 4.847 4.350 -0.114 0.000 0.273 42 E C -0.277 176.328 176.600 0.008 0.000 0.891 42 E CA -0.870 55.562 56.400 0.054 0.000 0.757 42 E CB 2.535 32.244 29.700 0.014 0.000 1.231 42 E HN 0.694 nan 8.360 nan 0.000 0.439 43 T N -1.532 113.071 114.554 0.083 0.000 2.874 43 T HA 0.233 4.515 4.350 -0.114 0.000 0.281 43 T C 0.204 174.919 174.700 0.025 0.000 0.994 43 T CA -0.677 61.478 62.100 0.093 0.000 1.015 43 T CB 0.665 69.672 68.868 0.233 0.000 1.028 43 T HN 0.336 nan 8.240 nan 0.000 0.523 44 H N 2.682 121.783 119.070 0.051 0.000 2.848 44 H HA 0.237 4.725 4.556 -0.114 0.000 0.317 44 H C -1.935 173.413 175.328 0.034 0.000 1.046 44 H CA -1.087 54.981 56.048 0.034 0.000 1.470 44 H CB 0.782 30.559 29.762 0.024 0.000 1.483 44 H HN 0.532 nan 8.280 nan 0.000 0.548 45 P HA 0.036 nan 4.420 nan 0.000 0.274 45 P C -0.420 176.924 177.300 0.073 0.000 1.231 45 P CA -0.408 62.719 63.100 0.045 0.000 0.790 45 P CB 1.325 33.026 31.700 0.002 0.000 0.951 46 V N 3.444 123.390 119.914 0.054 0.000 2.467 46 V HA 0.129 4.181 4.120 -0.114 0.000 0.260 46 V C -1.674 174.439 176.094 0.032 0.000 0.963 46 V CA -1.190 61.139 62.300 0.049 0.000 0.856 46 V CB 1.029 32.887 31.823 0.057 0.000 1.087 46 V HN 0.393 nan 8.190 nan 0.000 0.467 47 P HA -0.168 nan 4.420 nan 0.000 0.216 47 P C 1.818 179.122 177.300 0.007 0.000 1.150 47 P CA 1.303 64.404 63.100 0.002 0.000 0.843 47 P CB 0.223 31.922 31.700 -0.000 0.000 0.787 48 R N -0.080 120.429 120.500 0.014 0.000 2.134 48 R HA -0.154 4.118 4.340 -0.114 0.000 0.248 48 R C 1.461 177.772 176.300 0.018 0.000 1.143 48 R CA 2.323 58.431 56.100 0.014 0.000 0.957 48 R CB -0.791 29.518 30.300 0.016 0.000 0.867 48 R HN 0.206 nan 8.270 nan 0.000 0.441 49 V N -3.867 116.064 119.914 0.030 0.000 3.271 49 V HA 0.435 4.487 4.120 -0.114 0.000 0.327 49 V C 0.605 176.734 176.094 0.057 0.000 1.389 49 V CA 0.344 62.669 62.300 0.042 0.000 1.156 49 V CB 0.371 32.225 31.823 0.052 0.000 1.103 49 V HN 0.468 nan 8.190 nan 0.000 0.453 50 G N 0.934 109.752 108.800 0.029 0.000 2.147 50 G HA2 -0.230 3.662 3.960 -0.114 0.000 0.244 50 G HA3 -0.230 3.662 3.960 -0.114 0.000 0.244 50 G C -0.185 174.730 174.900 0.026 0.000 1.005 50 G CA 0.419 45.517 45.100 -0.004 0.000 0.713 50 G HN 0.596 nan 8.290 nan 0.000 0.515 51 L N 2.061 123.334 121.223 0.084 0.000 2.264 51 L HA 0.460 4.731 4.340 -0.114 0.000 0.289 51 L C -1.315 175.545 176.870 -0.018 0.000 1.044 51 L CA -2.103 52.818 54.840 0.134 0.000 0.807 51 L CB 1.547 43.722 42.059 0.193 0.000 1.192 51 L HN 0.023 nan 8.230 nan 0.000 0.425 52 P HA 0.265 nan 4.420 nan 0.000 0.284 52 P C -0.999 176.048 177.300 -0.422 0.000 1.292 52 P CA -0.661 62.274 63.100 -0.275 0.000 0.800 52 P CB 1.100 32.603 31.700 -0.329 0.000 1.188 53 A N 0.333 122.982 122.820 -0.285 0.000 2.388 53 A HA 0.483 4.735 4.320 -0.114 0.000 0.257 53 A C -0.473 176.912 177.584 -0.331 0.000 1.095 53 A CA -0.143 51.772 52.037 -0.203 0.000 0.791 53 A CB -0.788 18.168 19.000 -0.074 0.000 1.029 53 A HN 0.372 nan 8.150 nan 0.000 0.489 54 F N 1.297 121.299 119.950 0.086 0.000 2.422 54 F HA 0.492 4.951 4.527 -0.113 0.000 0.333 54 F C 0.242 176.107 175.800 0.108 0.000 1.095 54 F CA -0.566 57.503 58.000 0.115 0.000 1.038 54 F CB 1.989 41.065 39.000 0.125 0.000 1.156 54 F HN 0.270 nan 8.300 nan 0.000 0.483 55 V N 4.630 124.718 119.914 0.289 0.000 2.435 55 V HA 0.437 4.489 4.120 -0.114 0.000 0.290 55 V C -0.183 176.044 176.094 0.220 0.000 1.030 55 V CA -0.772 61.647 62.300 0.197 0.000 0.881 55 V CB 1.544 33.435 31.823 0.113 0.000 0.983 55 V HN 0.509 nan 8.190 nan 0.000 0.445 56 L N 4.123 125.480 121.223 0.222 0.000 2.365 56 L HA 0.951 5.223 4.340 -0.114 0.000 0.273 56 L C -0.112 176.870 176.870 0.187 0.000 1.000 56 L CA -0.537 54.446 54.840 0.238 0.000 0.819 56 L CB 1.900 44.167 42.059 0.347 0.000 1.284 56 L HN 0.769 nan 8.230 nan 0.000 0.418 57 A N 1.785 124.675 122.820 0.117 0.000 2.574 57 A HA 0.557 4.809 4.320 -0.114 0.000 0.297 57 A C -1.146 176.442 177.584 0.007 0.000 1.062 57 A CA -0.741 51.333 52.037 0.061 0.000 0.686 57 A CB 1.584 20.618 19.000 0.057 0.000 1.285 57 A HN 0.668 nan 8.150 nan 0.000 0.403 58 D N -0.002 120.377 120.400 -0.036 0.000 2.363 58 D HA 0.527 5.099 4.640 -0.114 0.000 0.240 58 D C 0.568 176.863 176.300 -0.009 0.000 1.236 58 D CA 1.264 55.231 54.000 -0.055 0.000 0.927 58 D CB 1.477 42.228 40.800 -0.082 0.000 1.150 58 D HN 0.915 nan 8.370 nan 0.000 0.458 59 G N -0.758 108.040 108.800 -0.004 0.000 2.619 59 G HA2 0.301 4.193 3.960 -0.114 0.000 0.305 59 G HA3 0.301 4.193 3.960 -0.114 0.000 0.305 59 G C -2.446 172.429 174.900 -0.042 0.000 1.330 59 G CA -0.660 44.417 45.100 -0.038 0.000 0.789 59 G HN 0.117 nan 8.290 nan 0.000 0.487 60 P HA 0.063 nan 4.420 nan 0.000 0.220 60 P C 1.480 178.677 177.300 -0.171 0.000 1.148 60 P CA 1.918 64.886 63.100 -0.220 0.000 0.803 60 P CB 0.296 31.822 31.700 -0.291 0.000 0.782 61 A N -1.391 121.405 122.820 -0.040 0.000 2.308 61 A HA 0.560 4.812 4.320 -0.114 0.000 0.217 61 A C 0.939 178.627 177.584 0.173 0.000 1.216 61 A CA 0.641 52.712 52.037 0.056 0.000 0.864 61 A CB -0.447 18.607 19.000 0.090 0.000 0.902 61 A HN 0.285 nan 8.150 nan 0.000 0.499 62 G N -1.307 107.575 108.800 0.135 0.000 2.317 62 G HA2 0.335 4.226 3.960 -0.114 0.000 0.445 62 G HA3 0.335 4.226 3.960 -0.114 0.000 0.445 62 G C -0.921 174.055 174.900 0.127 0.000 1.486 62 G CA -0.545 44.692 45.100 0.228 0.000 0.991 62 G HN 0.876 nan 8.290 nan 0.000 0.660 63 L N 0.705 122.018 121.223 0.150 0.000 2.559 63 L HA 0.516 4.787 4.340 -0.114 0.000 0.274 63 L C 0.991 177.897 176.870 0.060 0.000 1.205 63 L CA 0.368 55.272 54.840 0.105 0.000 0.907 63 L CB 0.332 42.483 42.059 0.154 0.000 1.153 63 L HN 0.626 nan 8.230 nan 0.000 0.490 64 R N 7.294 127.809 120.500 0.025 0.000 2.247 64 R HA 0.560 4.832 4.340 -0.114 0.000 0.329 64 R C -0.902 175.429 176.300 0.052 0.000 1.014 64 R CA -0.408 55.695 56.100 0.005 0.000 0.907 64 R CB 0.164 30.441 30.300 -0.039 0.000 1.146 64 R HN 0.832 nan 8.270 nan 0.000 0.499 65 I N -0.189 120.421 120.570 0.068 0.000 3.174 65 I HA 0.518 4.620 4.170 -0.114 0.000 0.313 65 I C -0.927 175.207 176.117 0.027 0.000 1.155 65 I CA -1.521 59.784 61.300 0.008 0.000 0.977 65 I CB 2.031 39.956 38.000 -0.125 0.000 1.248 65 I HN 0.251 nan 8.210 nan 0.000 0.453 66 N N 3.542 122.194 118.700 -0.080 0.000 2.483 66 N HA 0.192 4.864 4.740 -0.114 0.000 0.264 66 N C -1.947 173.457 175.510 -0.178 0.000 1.197 66 N CA -1.623 51.337 53.050 -0.150 0.000 0.927 66 N CB 0.544 38.923 38.487 -0.180 0.000 1.065 66 N HN 0.475 nan 8.380 nan 0.000 0.461 67 P HA -0.045 nan 4.420 nan 0.000 0.221 67 P C 0.247 177.404 177.300 -0.237 0.000 1.150 67 P CA 1.183 64.062 63.100 -0.368 0.000 0.800 67 P CB 0.279 31.658 31.700 -0.535 0.000 0.787 68 T N -3.065 111.405 114.554 -0.140 0.000 2.916 68 T HA 0.699 4.980 4.350 -0.114 0.000 0.292 68 T C -0.501 174.158 174.700 -0.068 0.000 1.064 68 T CA -0.990 61.086 62.100 -0.039 0.000 1.011 68 T CB 2.352 71.185 68.868 -0.059 0.000 1.152 68 T HN -0.183 nan 8.240 nan 0.000 0.510 69 R N 0.570 121.058 120.500 -0.021 0.000 2.725 69 R HA 0.422 4.693 4.340 -0.114 0.000 0.277 69 R C -0.520 175.747 176.300 -0.055 0.000 0.987 69 R CA -1.011 55.026 56.100 -0.106 0.000 0.901 69 R CB 2.177 32.392 30.300 -0.142 0.000 1.207 69 R HN 0.951 nan 8.270 nan 0.000 0.463 70 E N 1.060 121.210 120.200 -0.084 0.000 2.404 70 E HA 0.020 4.302 4.350 -0.114 0.000 0.261 70 E C -0.721 175.870 176.600 -0.015 0.000 1.074 70 E CA -0.385 55.992 56.400 -0.038 0.000 0.917 70 E CB 0.239 29.918 29.700 -0.034 0.000 0.965 70 E HN 0.604 nan 8.360 nan 0.000 0.433 71 N N 0.725 119.425 118.700 0.000 0.000 2.727 71 N HA -0.206 4.465 4.740 -0.114 0.000 0.249 71 N C -1.566 173.956 175.510 0.020 0.000 1.048 71 N CA 1.278 54.334 53.050 0.010 0.000 0.714 71 N CB -0.619 37.873 38.487 0.008 0.000 0.959 71 N HN 0.627 nan 8.380 nan 0.000 0.544 72 D N -0.267 120.150 120.400 0.029 0.000 2.966 72 D HA 0.077 4.649 4.640 -0.114 0.000 0.222 72 D C 0.343 176.672 176.300 0.048 0.000 1.292 72 D CA -0.499 53.535 54.000 0.057 0.000 0.907 72 D CB 1.053 41.914 40.800 0.101 0.000 1.621 72 D HN 0.203 nan 8.370 nan 0.000 0.557 73 E N 2.642 122.863 120.200 0.034 0.000 2.474 73 E HA 0.009 4.291 4.350 -0.114 0.000 0.194 73 E C -0.276 176.318 176.600 -0.009 0.000 1.041 73 E CA -0.034 56.375 56.400 0.015 0.000 0.874 73 E CB 0.180 29.886 29.700 0.010 0.000 0.914 73 E HN 0.257 nan 8.360 nan 0.000 0.498 74 N N 0.885 119.571 118.700 -0.023 0.000 2.424 74 N HA 0.123 4.795 4.740 -0.114 0.000 0.257 74 N C -0.571 174.768 175.510 -0.285 0.000 1.250 74 N CA 0.292 53.244 53.050 -0.164 0.000 0.946 74 N CB 1.242 39.589 38.487 -0.232 0.000 1.175 74 N HN -0.020 nan 8.380 nan 0.000 0.477 75 T N 0.546 114.811 114.554 -0.480 0.000 2.876 75 T HA 0.493 4.775 4.350 -0.114 0.000 0.289 75 T C -0.915 173.395 174.700 -0.649 0.000 1.014 75 T CA -0.356 61.494 62.100 -0.417 0.000 0.986 75 T CB 0.343 69.147 68.868 -0.107 0.000 1.021 75 T HN 0.343 nan 8.240 nan 0.000 0.458 76 Y N 2.092 122.227 120.300 -0.275 0.000 2.634 76 Y HA 0.379 4.861 4.550 -0.114 0.000 0.292 76 Y C -0.288 175.416 175.900 -0.327 0.000 0.996 76 Y CA -0.976 56.962 58.100 -0.269 0.000 1.165 76 Y CB -0.138 38.081 38.460 -0.402 0.000 1.194 76 Y HN 0.595 nan 8.280 nan 0.000 0.585 77 Y N 0.938 121.295 120.300 0.095 0.000 2.457 77 Y HA 0.262 4.744 4.550 -0.114 0.000 0.341 77 Y C 1.307 177.295 175.900 0.147 0.000 1.240 77 Y CA 0.227 58.378 58.100 0.085 0.000 1.437 77 Y CB 0.786 39.282 38.460 0.060 0.000 1.328 77 Y HN 0.204 nan 8.280 nan 0.000 0.588 78 T N -2.341 112.384 114.554 0.285 0.000 2.910 78 T HA 0.473 4.755 4.350 -0.114 0.000 0.287 78 T C -0.448 174.340 174.700 0.147 0.000 1.050 78 T CA -1.159 61.100 62.100 0.266 0.000 1.011 78 T CB 1.369 70.370 68.868 0.221 0.000 1.195 78 T HN 0.429 nan 8.240 nan 0.000 0.540 79 T N 1.853 116.488 114.554 0.136 0.000 2.780 79 T HA 0.599 4.881 4.350 -0.114 0.000 0.294 79 T C 0.140 174.786 174.700 -0.090 0.000 0.949 79 T CA -0.446 61.603 62.100 -0.084 0.000 1.074 79 T CB 0.541 69.269 68.868 -0.232 0.000 0.910 79 T HN 0.934 nan 8.240 nan 0.000 0.501 80 A N 4.370 127.086 122.820 -0.173 0.000 2.294 80 A HA 0.648 4.900 4.320 -0.114 0.000 0.316 80 A C -0.263 177.254 177.584 -0.110 0.000 1.359 80 A CA -0.631 51.370 52.037 -0.061 0.000 0.956 80 A CB -0.361 18.602 19.000 -0.062 0.000 1.155 80 A HN 0.747 nan 8.150 nan 0.000 0.544 81 F N 2.574 122.538 119.950 0.023 0.000 2.368 81 F HA 0.418 4.878 4.527 -0.113 0.000 0.315 81 F C -1.697 174.115 175.800 0.021 0.000 1.145 81 F CA -2.017 56.002 58.000 0.032 0.000 1.095 81 F CB 0.440 39.462 39.000 0.037 0.000 1.286 81 F HN 0.347 nan 8.300 nan 0.000 0.530 82 P HA 0.003 nan 4.420 nan 0.000 0.266 82 P C -0.752 176.604 177.300 0.095 0.000 1.193 82 P CA -0.222 62.956 63.100 0.130 0.000 0.770 82 P CB 0.218 31.987 31.700 0.114 0.000 0.836 83 V N 0.461 120.417 119.914 0.069 0.000 3.096 83 V HA 0.035 4.087 4.120 -0.114 0.000 0.306 83 V C 1.420 177.457 176.094 -0.096 0.000 1.088 83 V CA 0.057 62.384 62.300 0.045 0.000 1.129 83 V CB -0.074 31.866 31.823 0.194 0.000 1.014 83 V HN 0.550 nan 8.190 nan 0.000 0.486 84 E N 1.267 121.343 120.200 -0.206 0.000 2.130 84 E HA -0.215 4.066 4.350 -0.114 0.000 0.196 84 E C 1.782 178.229 176.600 -0.256 0.000 0.998 84 E CA 1.849 58.054 56.400 -0.325 0.000 0.806 84 E CB -0.115 29.181 29.700 -0.673 0.000 0.738 84 E HN 0.831 nan 8.360 nan 0.000 0.459 85 I N 0.602 120.986 120.570 -0.310 0.000 2.454 85 I HA -0.268 3.833 4.170 -0.114 0.000 0.254 85 I C 2.389 178.049 176.117 -0.761 0.000 1.156 85 I CA 0.837 61.869 61.300 -0.446 0.000 1.433 85 I CB 0.078 37.746 38.000 -0.553 0.000 1.082 85 I HN 0.170 nan 8.210 nan 0.000 0.432 86 M N 0.042 119.223 119.600 -0.698 0.000 2.193 86 M HA -0.132 4.280 4.480 -0.114 0.000 0.265 86 M C 2.037 178.236 176.300 -0.169 0.000 1.071 86 M CA 1.567 56.538 55.300 -0.548 0.000 1.140 86 M CB 0.023 32.509 32.600 -0.190 0.000 1.369 86 M HN 0.186 nan 8.290 nan 0.000 0.423 87 L N 0.269 121.427 121.223 -0.108 0.000 2.042 87 L HA -0.183 4.089 4.340 -0.114 0.000 0.210 87 L C 2.746 179.586 176.870 -0.051 0.000 1.076 87 L CA 1.329 56.154 54.840 -0.026 0.000 0.749 87 L CB -1.191 40.874 42.059 0.011 0.000 0.893 87 L HN 0.415 nan 8.230 nan 0.000 0.432 88 A N -0.604 122.175 122.820 -0.068 0.000 1.972 88 A HA -0.174 4.077 4.320 -0.114 0.000 0.219 88 A C 2.465 179.882 177.584 -0.278 0.000 1.169 88 A CA 1.895 53.806 52.037 -0.209 0.000 0.635 88 A CB -0.529 18.385 19.000 -0.142 0.000 0.810 88 A HN 0.382 nan 8.150 nan 0.000 0.446 89 S N -0.235 115.416 115.700 -0.083 0.000 2.442 89 S HA -0.143 4.259 4.470 -0.114 0.000 0.236 89 S C 2.109 176.872 174.600 0.271 0.000 1.007 89 S CA 1.717 60.018 58.200 0.167 0.000 0.965 89 S CB -0.618 62.771 63.200 0.316 0.000 0.773 89 S HN 0.924 nan 8.310 nan 0.000 0.504 90 T N -2.515 112.114 114.554 0.125 0.000 2.915 90 T HA -0.173 4.109 4.350 -0.114 0.000 0.269 90 T C 0.587 175.435 174.700 0.245 0.000 1.071 90 T CA 0.860 63.045 62.100 0.142 0.000 1.132 90 T CB -0.736 68.174 68.868 0.070 0.000 0.878 90 T HN 0.509 nan 8.240 nan 0.000 0.479 91 W N 1.523 122.755 121.300 -0.113 0.000 5.271 91 W HA -0.151 4.440 4.660 -0.115 0.000 0.364 91 W C -0.024 176.513 176.519 0.030 0.000 1.342 91 W CA 0.403 57.657 57.345 -0.151 0.000 0.899 91 W CB -2.474 26.872 29.460 -0.189 0.000 2.450 91 W HN 0.388 nan 8.180 nan 0.000 1.508 92 N N 0.425 119.217 118.700 0.152 0.000 2.626 92 N HA 0.299 4.970 4.740 -0.114 0.000 0.249 92 N C 1.208 176.750 175.510 0.053 0.000 1.021 92 N CA -0.462 52.649 53.050 0.101 0.000 0.886 92 N CB 0.555 39.076 38.487 0.057 0.000 1.149 92 N HN 0.153 nan 8.380 nan 0.000 0.517 93 R N 1.539 122.074 120.500 0.058 0.000 2.080 93 R HA -0.170 4.102 4.340 -0.114 0.000 0.236 93 R C 1.397 177.683 176.300 -0.024 0.000 1.137 93 R CA 1.641 57.741 56.100 -0.001 0.000 0.943 93 R CB -0.056 30.218 30.300 -0.043 0.000 0.846 93 R HN 0.645 nan 8.270 nan 0.000 0.431 94 E N 0.777 120.958 120.200 -0.032 0.000 2.070 94 E HA -0.248 4.034 4.350 -0.114 0.000 0.197 94 E C 1.938 178.532 176.600 -0.011 0.000 1.004 94 E CA 1.285 57.666 56.400 -0.031 0.000 0.805 94 E CB -0.051 29.628 29.700 -0.035 0.000 0.744 94 E HN 0.122 nan 8.360 nan 0.000 0.451 95 L N 0.748 121.974 121.223 0.005 0.000 2.046 95 L HA -0.165 4.107 4.340 -0.114 0.000 0.208 95 L C 2.192 179.079 176.870 0.028 0.000 1.077 95 L CA 1.437 56.293 54.840 0.027 0.000 0.747 95 L CB -0.488 41.594 42.059 0.039 0.000 0.896 95 L HN 0.288 nan 8.230 nan 0.000 0.432 96 L N -0.402 120.832 121.223 0.018 0.000 2.131 96 L HA -0.215 4.057 4.340 -0.114 0.000 0.210 96 L C 2.508 179.405 176.870 0.044 0.000 1.092 96 L CA 1.809 56.673 54.840 0.040 0.000 0.759 96 L CB -0.975 41.085 42.059 0.002 0.000 0.903 96 L HN 0.532 nan 8.230 nan 0.000 0.435 97 E N -0.352 119.840 120.200 -0.013 0.000 2.072 97 E HA -0.213 4.069 4.350 -0.114 0.000 0.191 97 E C 1.898 178.452 176.600 -0.077 0.000 0.985 97 E CA 0.884 57.245 56.400 -0.064 0.000 0.801 97 E CB 0.276 29.937 29.700 -0.066 0.000 0.750 97 E HN 0.320 nan 8.360 nan 0.000 0.452 98 E N 0.207 120.388 120.200 -0.033 0.000 2.085 98 E HA -0.163 4.119 4.350 -0.114 0.000 0.194 98 E C 2.236 178.814 176.600 -0.037 0.000 0.994 98 E CA 0.917 57.307 56.400 -0.016 0.000 0.801 98 E CB -0.210 29.509 29.700 0.032 0.000 0.743 98 E HN 0.211 nan 8.360 nan 0.000 0.453 99 V N 0.793 120.687 119.914 -0.034 0.000 2.427 99 V HA -0.182 3.869 4.120 -0.114 0.000 0.248 99 V C 2.389 178.326 176.094 -0.262 0.000 1.051 99 V CA 1.901 64.111 62.300 -0.150 0.000 1.048 99 V CB -1.003 30.754 31.823 -0.110 0.000 0.666 99 V HN 0.325 nan 8.190 nan 0.000 0.456 100 G N -0.120 108.540 108.800 -0.234 0.000 2.446 100 G HA2 -0.258 3.633 3.960 -0.114 0.000 0.217 100 G HA3 -0.258 3.633 3.960 -0.114 0.000 0.217 100 G C 1.651 176.281 174.900 -0.450 0.000 1.168 100 G CA 0.945 45.656 45.100 -0.648 0.000 0.771 100 G HN 0.473 nan 8.290 nan 0.000 0.551 101 K N 0.623 120.851 120.400 -0.286 0.000 2.032 101 K HA -0.011 4.241 4.320 -0.114 0.000 0.209 101 K C 2.974 179.441 176.600 -0.221 0.000 1.048 101 K CA 1.118 57.280 56.287 -0.208 0.000 0.927 101 K CB -0.288 32.143 32.500 -0.116 0.000 0.712 101 K HN 0.270 nan 8.250 nan 0.000 0.441 102 A N 1.445 124.119 122.820 -0.244 0.000 1.883 102 A HA -0.191 4.061 4.320 -0.114 0.000 0.217 102 A C 2.189 179.477 177.584 -0.494 0.000 1.186 102 A CA 1.681 53.428 52.037 -0.484 0.000 0.624 102 A CB -0.508 18.413 19.000 -0.131 0.000 0.822 102 A HN 0.191 nan 8.150 nan 0.000 0.444 103 M N -0.781 118.644 119.600 -0.293 0.000 2.117 103 M HA -0.120 4.292 4.480 -0.114 0.000 0.262 103 M C 2.342 178.565 176.300 -0.129 0.000 1.065 103 M CA 1.492 56.705 55.300 -0.145 0.000 1.114 103 M CB -0.720 31.780 32.600 -0.167 0.000 1.361 103 M HN 0.539 nan 8.290 nan 0.000 0.408 104 G N -0.201 108.468 108.800 -0.218 0.000 2.422 104 G HA2 -0.242 3.650 3.960 -0.114 0.000 0.218 104 G HA3 -0.242 3.650 3.960 -0.114 0.000 0.218 104 G C 1.371 176.214 174.900 -0.095 0.000 1.146 104 G CA 0.884 45.870 45.100 -0.189 0.000 0.769 104 G HN 0.546 nan 8.290 nan 0.000 0.547 105 E N 0.493 120.649 120.200 -0.073 0.000 2.110 105 E HA -0.138 4.144 4.350 -0.114 0.000 0.193 105 E C 2.273 178.935 176.600 0.104 0.000 0.988 105 E CA 1.073 57.501 56.400 0.047 0.000 0.804 105 E CB -0.089 29.713 29.700 0.170 0.000 0.745 105 E HN 0.624 nan 8.360 nan 0.000 0.458 106 E N -0.052 120.224 120.200 0.126 0.000 2.107 106 E HA -0.123 4.159 4.350 -0.114 0.000 0.191 106 E C 2.253 178.971 176.600 0.197 0.000 0.982 106 E CA 0.950 57.465 56.400 0.192 0.000 0.809 106 E CB 0.153 30.046 29.700 0.321 0.000 0.756 106 E HN 0.124 nan 8.360 nan 0.000 0.459 107 V N 1.576 121.560 119.914 0.117 0.000 2.255 107 V HA -0.300 3.752 4.120 -0.114 0.000 0.247 107 V C 2.508 178.645 176.094 0.071 0.000 1.051 107 V CA 2.111 64.463 62.300 0.086 0.000 1.018 107 V CB -0.534 31.288 31.823 -0.003 0.000 0.641 107 V HN 0.219 nan 8.190 nan 0.000 0.445 108 R N -0.016 120.508 120.500 0.041 0.000 2.082 108 R HA -0.188 4.083 4.340 -0.114 0.000 0.234 108 R C 2.250 178.655 176.300 0.175 0.000 1.136 108 R CA 1.886 58.029 56.100 0.071 0.000 0.935 108 R CB -0.245 30.065 30.300 0.017 0.000 0.842 108 R HN 0.460 nan 8.270 nan 0.000 0.430 109 E N -0.348 119.939 120.200 0.144 0.000 2.347 109 E HA -0.151 4.130 4.350 -0.114 0.000 0.196 109 E C 0.964 177.611 176.600 0.078 0.000 1.008 109 E CA 0.808 57.297 56.400 0.148 0.000 0.852 109 E CB 0.028 29.739 29.700 0.018 0.000 0.783 109 E HN 0.473 nan 8.360 nan 0.000 0.505 110 Y N 0.007 120.364 120.300 0.094 0.000 2.493 110 Y HA 0.277 4.759 4.550 -0.114 0.000 0.275 110 Y C 1.485 177.138 175.900 -0.412 0.000 1.183 110 Y CA 0.138 58.241 58.100 0.005 0.000 1.258 110 Y CB 0.448 38.950 38.460 0.069 0.000 1.108 110 Y HN 0.092 nan 8.280 nan 0.000 0.521 111 G N 0.256 108.698 108.800 -0.598 0.000 2.147 111 G HA2 -0.240 3.652 3.960 -0.114 0.000 0.244 111 G HA3 -0.240 3.652 3.960 -0.114 0.000 0.244 111 G C -0.207 174.499 174.900 -0.324 0.000 1.005 111 G CA 0.249 44.683 45.100 -1.110 0.000 0.713 111 G HN 0.122 nan 8.290 nan 0.000 0.515 112 V N 0.358 120.217 119.914 -0.093 0.000 2.644 112 V HA 0.403 4.454 4.120 -0.114 0.000 0.295 112 V C 0.945 177.089 176.094 0.083 0.000 1.053 112 V CA -0.011 62.303 62.300 0.024 0.000 0.987 112 V CB 1.694 33.547 31.823 0.049 0.000 1.006 112 V HN 0.256 nan 8.190 nan 0.000 0.472 113 D N 1.553 122.051 120.400 0.163 0.000 2.379 113 D HA 0.127 4.699 4.640 -0.114 0.000 0.218 113 D C -0.061 176.337 176.300 0.163 0.000 1.006 113 D CA 1.003 55.148 54.000 0.242 0.000 0.893 113 D CB 1.317 42.380 40.800 0.438 0.000 1.019 113 D HN 0.326 nan 8.370 nan 0.000 0.503 114 V N 2.076 122.081 119.914 0.150 0.000 2.623 114 V HA 0.239 4.291 4.120 -0.114 0.000 0.304 114 V C -0.690 175.433 176.094 0.048 0.000 1.054 114 V CA -0.933 61.420 62.300 0.090 0.000 0.882 114 V CB 2.670 34.635 31.823 0.237 0.000 1.002 114 V HN -0.040 nan 8.190 nan 0.000 0.424 115 L N 5.846 127.049 121.223 -0.033 0.000 2.276 115 L HA 0.510 4.782 4.340 -0.114 0.000 0.286 115 L C 0.001 176.871 176.870 -0.000 0.000 1.061 115 L CA 0.157 54.990 54.840 -0.010 0.000 0.807 115 L CB 0.980 43.019 42.059 -0.032 0.000 1.177 115 L HN 0.607 nan 8.230 nan 0.000 0.429 116 L N 6.726 127.945 121.223 -0.006 0.000 2.437 116 L HA 0.563 4.835 4.340 -0.114 0.000 0.243 116 L C 0.097 176.931 176.870 -0.060 0.000 1.346 116 L CA -0.046 54.767 54.840 -0.045 0.000 1.233 116 L CB -1.021 40.968 42.059 -0.117 0.000 1.436 116 L HN 0.831 nan 8.230 nan 0.000 0.416 117 A N 2.640 125.453 122.820 -0.012 0.000 2.597 117 A HA 0.788 5.040 4.320 -0.114 0.000 0.292 117 A C -2.953 174.712 177.584 0.135 0.000 1.057 117 A CA -0.928 51.108 52.037 -0.001 0.000 0.674 117 A CB 1.848 20.867 19.000 0.032 0.000 1.278 117 A HN 0.079 nan 8.150 nan 0.000 0.416 118 P HA 0.559 nan 4.420 nan 0.000 0.287 118 P C -0.309 176.863 177.300 -0.213 0.000 1.270 118 P CA -0.144 62.834 63.100 -0.203 0.000 0.844 118 P CB 1.696 33.272 31.700 -0.208 0.000 1.068 119 A N 3.425 126.066 122.820 -0.298 0.000 2.354 119 A HA 0.549 4.801 4.320 -0.114 0.000 0.269 119 A C 0.831 178.253 177.584 -0.270 0.000 1.109 119 A CA -0.387 51.522 52.037 -0.214 0.000 0.800 119 A CB -0.414 18.574 19.000 -0.021 0.000 1.045 119 A HN 0.735 nan 8.150 nan 0.000 0.489 120 M N 0.719 120.138 119.600 -0.302 0.000 3.741 120 M HA 0.288 4.700 4.480 -0.114 0.000 0.507 120 M C -0.777 175.229 176.300 -0.490 0.000 1.722 120 M CA -0.466 54.600 55.300 -0.390 0.000 0.692 120 M CB -0.727 31.631 32.600 -0.403 0.000 1.492 120 M HN 0.541 nan 8.290 nan 0.000 0.555 121 N N 1.777 120.086 118.700 -0.652 0.000 2.441 121 N HA 0.261 4.933 4.740 -0.114 0.000 0.251 121 N C -0.300 174.984 175.510 -0.377 0.000 1.242 121 N CA 0.006 52.771 53.050 -0.475 0.000 0.898 121 N CB 0.820 38.870 38.487 -0.730 0.000 1.100 121 N HN 0.254 nan 8.380 nan 0.000 0.443 122 I N 1.752 122.314 120.570 -0.012 0.000 2.634 122 I HA -0.068 4.034 4.170 -0.114 0.000 0.284 122 I C 0.653 176.870 176.117 0.168 0.000 1.124 122 I CA 0.145 61.465 61.300 0.034 0.000 1.417 122 I CB 0.091 38.146 38.000 0.092 0.000 1.396 122 I HN 0.522 nan 8.210 nan 0.000 0.571 123 H N 5.715 124.875 119.070 0.150 0.000 3.198 123 H HA 0.071 4.559 4.556 -0.114 0.000 0.255 123 H C 1.402 176.812 175.328 0.138 0.000 1.729 123 H CA -0.180 55.973 56.048 0.174 0.000 1.495 123 H CB 0.209 30.077 29.762 0.177 0.000 1.807 123 H HN 0.432 nan 8.280 nan 0.000 0.554 124 R N 1.924 122.576 120.500 0.254 0.000 2.066 124 R HA -0.080 4.192 4.340 -0.114 0.000 0.232 124 R C 0.234 176.555 176.300 0.035 0.000 1.131 124 R CA 0.945 57.127 56.100 0.135 0.000 0.955 124 R CB 0.308 30.651 30.300 0.070 0.000 0.851 124 R HN 0.422 nan 8.270 nan 0.000 0.432 125 N N -0.923 117.768 118.700 -0.015 0.000 2.310 125 N HA 0.154 4.826 4.740 -0.114 0.000 0.292 125 N C -2.363 173.041 175.510 -0.177 0.000 1.049 125 N CA -1.845 51.089 53.050 -0.193 0.000 0.849 125 N CB 2.396 40.553 38.487 -0.550 0.000 1.532 125 N HN -0.142 nan 8.380 nan 0.000 0.479 126 P HA -0.002 nan 4.420 nan 0.000 0.230 126 P C 1.171 178.422 177.300 -0.080 0.000 1.158 126 P CA 0.655 63.719 63.100 -0.060 0.000 0.769 126 P CB 0.528 32.243 31.700 0.026 0.000 0.807 127 L N -1.059 120.025 121.223 -0.232 0.000 2.492 127 L HA 0.064 4.336 4.340 -0.114 0.000 0.223 127 L C 1.600 178.471 176.870 0.000 0.000 1.132 127 L CA -0.196 54.539 54.840 -0.175 0.000 0.850 127 L CB -0.625 41.249 42.059 -0.307 0.000 0.966 127 L HN 0.005 nan 8.230 nan 0.000 0.454 128 C N 1.407 120.704 119.300 -0.004 0.000 2.590 128 C HA 0.123 4.515 4.460 -0.114 0.000 0.411 128 C C 2.164 177.275 174.990 0.201 0.000 1.420 128 C CA -0.057 59.113 59.018 0.253 0.000 1.643 128 C CB 0.221 28.143 27.740 0.303 0.000 2.528 128 C HN 0.634 nan 8.230 nan 0.000 0.606 129 G N 4.684 113.627 108.800 0.239 0.000 2.470 129 G HA2 -0.131 3.761 3.960 -0.114 0.000 0.220 129 G HA3 -0.131 3.761 3.960 -0.114 0.000 0.220 129 G C 1.554 176.583 174.900 0.216 0.000 1.121 129 G CA 0.285 45.522 45.100 0.228 0.000 0.766 129 G HN 0.875 nan 8.290 nan 0.000 0.553 130 R N -0.163 120.363 120.500 0.045 0.000 2.432 130 R HA 0.164 4.436 4.340 -0.114 0.000 0.260 130 R C 1.384 177.216 176.300 -0.780 0.000 0.935 130 R CA -0.381 55.496 56.100 -0.372 0.000 1.080 130 R CB 0.097 30.129 30.300 -0.447 0.000 1.155 130 R HN 0.102 nan 8.270 nan 0.000 0.531 131 N N 1.527 120.083 118.700 -0.240 0.000 2.137 131 N HA -0.216 4.456 4.740 -0.114 0.000 0.190 131 N C 1.521 176.914 175.510 -0.196 0.000 1.017 131 N CA 1.485 54.459 53.050 -0.128 0.000 0.859 131 N CB -0.293 38.099 38.487 -0.160 0.000 1.002 131 N HN 0.336 nan 8.380 nan 0.000 0.428 132 F N 1.865 121.712 119.950 -0.173 0.000 2.154 132 F HA -0.125 4.335 4.527 -0.112 0.000 0.301 132 F C 1.605 177.273 175.800 -0.220 0.000 1.087 132 F CA 1.176 59.080 58.000 -0.159 0.000 1.274 132 F CB -0.720 38.225 39.000 -0.092 0.000 1.009 132 F HN 0.153 nan 8.300 nan 0.000 0.485 133 E N -1.158 118.230 120.200 -1.354 0.000 2.451 133 E HA 0.103 4.385 4.350 -0.114 0.000 0.194 133 E C -0.852 175.354 176.600 -0.658 0.000 1.027 133 E CA -0.445 55.360 56.400 -0.993 0.000 0.914 133 E CB -0.341 28.678 29.700 -1.134 0.000 1.054 133 E HN 0.383 nan 8.360 nan 0.000 0.461 134 Y N -0.746 119.321 120.300 -0.388 0.000 2.587 134 Y HA 0.277 4.760 4.550 -0.111 0.000 0.337 134 Y C 0.572 176.219 175.900 -0.422 0.000 1.065 134 Y CA -1.918 55.944 58.100 -0.397 0.000 1.126 134 Y CB 0.358 38.723 38.460 -0.159 0.000 1.279 134 Y HN -0.135 nan 8.280 nan 0.000 0.489 135 Y N -0.257 119.924 120.300 -0.198 0.000 2.201 135 Y HA 0.139 4.621 4.550 -0.115 0.000 0.292 135 Y C 1.320 176.997 175.900 -0.371 0.000 1.119 135 Y CA 1.132 59.059 58.100 -0.288 0.000 1.127 135 Y CB 0.100 38.374 38.460 -0.309 0.000 1.019 135 Y HN 0.469 nan 8.280 nan 0.000 0.514 136 S N -1.452 113.977 115.700 -0.453 0.000 2.615 136 S HA 0.197 4.598 4.470 -0.114 0.000 0.269 136 S C -0.016 174.445 174.600 -0.232 0.000 1.161 136 S CA -0.456 57.605 58.200 -0.232 0.000 0.817 136 S CB 0.920 64.087 63.200 -0.056 0.000 1.131 136 S HN 0.407 nan 8.310 nan 0.000 0.467 137 E N 0.585 120.874 120.200 0.148 0.000 2.489 137 E HA 0.141 4.423 4.350 -0.114 0.000 0.193 137 E C -0.209 176.404 176.600 0.022 0.000 1.057 137 E CA 0.067 56.554 56.400 0.145 0.000 0.866 137 E CB 0.060 29.928 29.700 0.281 0.000 0.916 137 E HN 0.441 nan 8.360 nan 0.000 0.500 138 D N 1.191 121.607 120.400 0.028 0.000 2.375 138 D HA 0.138 4.710 4.640 -0.114 0.000 0.247 138 D C -1.694 174.587 176.300 -0.031 0.000 1.061 138 D CA -2.668 51.329 54.000 -0.005 0.000 0.834 138 D CB 1.955 42.772 40.800 0.029 0.000 1.247 138 D HN -0.262 nan 8.370 nan 0.000 0.489 139 P HA -0.086 nan 4.420 nan 0.000 0.225 139 P C 1.237 178.508 177.300 -0.049 0.000 1.156 139 P CA 0.323 63.388 63.100 -0.059 0.000 0.787 139 P CB 0.456 32.133 31.700 -0.038 0.000 0.802 140 V N 0.311 120.230 119.914 0.009 0.000 2.346 140 V HA -0.173 3.879 4.120 -0.114 0.000 0.244 140 V C 2.622 178.746 176.094 0.051 0.000 1.037 140 V CA 1.259 63.588 62.300 0.049 0.000 1.029 140 V CB -1.205 30.696 31.823 0.131 0.000 0.663 140 V HN 0.016 nan 8.190 nan 0.000 0.454 141 L N 0.177 121.369 121.223 -0.051 0.000 1.989 141 L HA -0.166 4.105 4.340 -0.114 0.000 0.211 141 L C 2.654 179.319 176.870 -0.342 0.000 1.071 141 L CA 2.541 57.157 54.840 -0.374 0.000 0.749 141 L CB -1.010 40.673 42.059 -0.627 0.000 0.890 141 L HN 0.350 nan 8.230 nan 0.000 0.431 142 S N -0.664 114.888 115.700 -0.246 0.000 2.353 142 S HA -0.161 4.241 4.470 -0.114 0.000 0.222 142 S C 2.064 176.487 174.600 -0.296 0.000 1.035 142 S CA 1.455 59.507 58.200 -0.247 0.000 1.025 142 S CB -1.005 62.104 63.200 -0.151 0.000 0.902 142 S HN 0.676 nan 8.310 nan 0.000 0.440 143 G N 1.200 109.872 108.800 -0.213 0.000 2.440 143 G HA2 -0.171 3.720 3.960 -0.114 0.000 0.218 143 G HA3 -0.171 3.720 3.960 -0.114 0.000 0.218 143 G C 1.470 176.254 174.900 -0.193 0.000 1.154 143 G CA 0.832 45.809 45.100 -0.206 0.000 0.767 143 G HN 0.512 nan 8.290 nan 0.000 0.552 144 E N -0.020 120.098 120.200 -0.136 0.000 2.107 144 E HA -0.004 4.277 4.350 -0.114 0.000 0.191 144 E C 2.697 179.205 176.600 -0.154 0.000 0.982 144 E CA 0.485 56.839 56.400 -0.077 0.000 0.809 144 E CB -0.210 29.563 29.700 0.121 0.000 0.756 144 E HN 0.314 nan 8.360 nan 0.000 0.459 145 M N 0.358 119.753 119.600 -0.342 0.000 2.132 145 M HA -0.035 4.377 4.480 -0.114 0.000 0.263 145 M C 2.376 178.357 176.300 -0.533 0.000 1.065 145 M CA 1.060 56.023 55.300 -0.561 0.000 1.122 145 M CB -1.259 30.687 32.600 -1.090 0.000 1.365 145 M HN 0.008 nan 8.290 nan 0.000 0.411 146 A N 0.184 122.679 122.820 -0.542 0.000 1.877 146 A HA -0.136 4.115 4.320 -0.114 0.000 0.216 146 A C 2.508 180.060 177.584 -0.053 0.000 1.186 146 A CA 2.279 54.220 52.037 -0.161 0.000 0.620 146 A CB -0.915 18.025 19.000 -0.100 0.000 0.822 146 A HN 0.497 nan 8.150 nan 0.000 0.443 147 S N 0.293 115.925 115.700 -0.114 0.000 2.359 147 S HA -0.154 4.248 4.470 -0.114 0.000 0.224 147 S C 2.284 176.842 174.600 -0.070 0.000 1.035 147 S CA 1.586 59.734 58.200 -0.087 0.000 1.018 147 S CB -0.431 62.703 63.200 -0.109 0.000 0.876 147 S HN 0.631 nan 8.310 nan 0.000 0.448 148 S N 1.059 116.714 115.700 -0.075 0.000 2.368 148 S HA -0.069 4.332 4.470 -0.114 0.000 0.225 148 S C 1.538 176.118 174.600 -0.032 0.000 1.030 148 S CA 1.227 59.391 58.200 -0.060 0.000 0.999 148 S CB -0.463 62.702 63.200 -0.059 0.000 0.844 148 S HN 0.547 nan 8.310 nan 0.000 0.459 149 F N 2.465 122.332 119.950 -0.138 0.000 2.102 149 F HA -0.129 4.330 4.527 -0.114 0.000 0.298 149 F C 2.166 177.890 175.800 -0.127 0.000 1.105 149 F CA 1.072 58.998 58.000 -0.123 0.000 1.239 149 F CB -0.617 38.337 39.000 -0.077 0.000 0.991 149 F HN -0.046 nan 8.300 nan 0.000 0.474 150 V N 0.896 120.753 119.914 -0.095 0.000 2.287 150 V HA -0.349 3.703 4.120 -0.114 0.000 0.248 150 V C 2.386 178.330 176.094 -0.251 0.000 1.053 150 V CA 2.368 64.549 62.300 -0.198 0.000 1.027 150 V CB -0.757 31.028 31.823 -0.063 0.000 0.646 150 V HN 0.302 nan 8.190 nan 0.000 0.447 151 K N 0.112 120.407 120.400 -0.175 0.000 2.063 151 K HA -0.145 4.106 4.320 -0.114 0.000 0.208 151 K C 2.256 178.734 176.600 -0.204 0.000 1.048 151 K CA 1.530 57.724 56.287 -0.155 0.000 0.928 151 K CB -0.692 31.742 32.500 -0.110 0.000 0.713 151 K HN 0.575 nan 8.250 nan 0.000 0.442 152 G N 1.003 109.646 108.800 -0.261 0.000 2.433 152 G HA2 -0.228 3.664 3.960 -0.114 0.000 0.216 152 G HA3 -0.228 3.664 3.960 -0.114 0.000 0.216 152 G C 1.597 176.280 174.900 -0.363 0.000 1.186 152 G CA 0.840 45.767 45.100 -0.289 0.000 0.779 152 G HN 0.098 nan 8.290 nan 0.000 0.543 153 V N 0.743 120.330 119.914 -0.545 0.000 2.287 153 V HA -0.245 3.807 4.120 -0.114 0.000 0.248 153 V C 2.804 178.660 176.094 -0.396 0.000 1.053 153 V CA 2.281 64.266 62.300 -0.526 0.000 1.027 153 V CB -0.585 30.842 31.823 -0.661 0.000 0.646 153 V HN 0.459 nan 8.190 nan 0.000 0.447 154 Q N 0.059 119.637 119.800 -0.369 0.000 2.432 154 Q HA -0.056 4.216 4.340 -0.114 0.000 0.205 154 Q C 2.237 178.128 176.000 -0.181 0.000 0.945 154 Q CA 1.090 56.694 55.803 -0.331 0.000 0.924 154 Q CB -0.129 28.430 28.738 -0.299 0.000 1.016 154 Q HN 0.799 nan 8.270 nan 0.000 0.503 155 S N 0.151 115.753 115.700 -0.164 0.000 2.507 155 S HA -0.076 4.326 4.470 -0.114 0.000 0.235 155 S C 1.483 176.023 174.600 -0.099 0.000 0.988 155 S CA 0.552 58.690 58.200 -0.104 0.000 0.944 155 S CB 0.154 63.295 63.200 -0.099 0.000 0.762 155 S HN 0.211 nan 8.310 nan 0.000 0.526 156 Q N 0.454 120.169 119.800 -0.142 0.000 2.247 156 Q HA 0.316 4.588 4.340 -0.114 0.000 0.204 156 Q C 1.277 177.202 176.000 -0.125 0.000 0.872 156 Q CA 0.534 56.264 55.803 -0.123 0.000 0.951 156 Q CB 0.235 28.891 28.738 -0.137 0.000 1.099 156 Q HN 0.760 nan 8.270 nan 0.000 0.501 157 G N 0.570 109.307 108.800 -0.106 0.000 2.143 157 G HA2 -0.263 3.629 3.960 -0.114 0.000 0.249 157 G HA3 -0.263 3.629 3.960 -0.114 0.000 0.249 157 G C 0.330 175.191 174.900 -0.065 0.000 0.981 157 G CA 0.458 45.541 45.100 -0.029 0.000 0.665 157 G HN 0.327 nan 8.290 nan 0.000 0.528 158 V N -2.636 117.080 119.914 -0.331 0.000 3.158 158 V HA 1.043 5.095 4.120 -0.114 0.000 0.315 158 V C 0.707 175.955 176.094 -1.410 0.000 1.148 158 V CA -0.498 61.438 62.300 -0.606 0.000 1.042 158 V CB 1.672 33.302 31.823 -0.322 0.000 1.101 158 V HN 1.280 nan 8.190 nan 0.000 0.448 159 G N -0.609 107.273 108.800 -1.531 0.000 2.400 159 G HA2 0.768 4.659 3.960 -0.114 0.000 0.333 159 G HA3 0.768 4.659 3.960 -0.114 0.000 0.333 159 G C -0.407 174.118 174.900 -0.624 0.000 1.143 159 G CA -0.222 43.905 45.100 -1.622 0.000 0.914 159 G HN 1.419 nan 8.290 nan 0.000 0.480 160 A N -0.164 122.377 122.820 -0.466 0.000 2.256 160 A HA 0.685 4.937 4.320 -0.114 0.000 0.318 160 A C -0.328 177.209 177.584 -0.078 0.000 1.103 160 A CA -0.577 51.339 52.037 -0.203 0.000 0.860 160 A CB 1.352 20.250 19.000 -0.171 0.000 1.182 160 A HN 1.435 nan 8.150 nan 0.000 0.501 161 C N 2.523 121.803 119.300 -0.033 0.000 2.571 161 C HA 0.568 4.960 4.460 -0.114 0.000 0.343 161 C C -0.302 174.667 174.990 -0.033 0.000 1.082 161 C CA -0.880 58.116 59.018 -0.037 0.000 1.339 161 C CB -1.359 26.362 27.740 -0.032 0.000 1.893 161 C HN 0.787 nan 8.230 nan 0.000 0.445 162 I N 4.637 125.189 120.570 -0.030 0.000 2.496 162 I HA 0.571 4.673 4.170 -0.114 0.000 0.285 162 I C -0.234 175.913 176.117 0.050 0.000 1.080 162 I CA 0.329 61.627 61.300 -0.003 0.000 1.404 162 I CB 0.617 38.624 38.000 0.011 0.000 1.403 162 I HN 0.789 nan 8.210 nan 0.000 0.539 163 K N 3.854 124.269 120.400 0.024 0.000 2.536 163 K HA 0.551 4.803 4.320 -0.114 0.000 0.269 163 K C -1.624 174.945 176.600 -0.051 0.000 0.965 163 K CA -1.032 55.218 56.287 -0.062 0.000 0.860 163 K CB 1.525 33.758 32.500 -0.446 0.000 1.423 163 K HN 0.689 nan 8.250 nan 0.000 0.438 164 H N 0.563 119.810 119.070 0.295 0.000 2.476 164 H HA 0.350 4.838 4.556 -0.114 0.000 0.328 164 H C -1.604 173.799 175.328 0.125 0.000 1.073 164 H CA -0.558 55.605 56.048 0.191 0.000 1.229 164 H CB 1.022 30.848 29.762 0.108 0.000 1.432 164 H HN 0.426 nan 8.280 nan 0.000 0.477 165 F N 4.552 124.408 119.950 -0.156 0.000 2.375 165 F HA 0.455 4.914 4.527 -0.114 0.000 0.362 165 F C -0.598 175.047 175.800 -0.258 0.000 1.129 165 F CA -0.434 57.244 58.000 -0.538 0.000 1.154 165 F CB 0.080 38.751 39.000 -0.548 0.000 1.205 165 F HN 0.350 nan 8.300 nan 0.000 0.513 166 V N 4.684 124.325 119.914 -0.456 0.000 3.206 166 V HA 0.738 4.790 4.120 -0.114 0.000 0.305 166 V C -0.198 175.795 176.094 -0.168 0.000 1.257 166 V CA -0.382 61.639 62.300 -0.466 0.000 1.057 166 V CB 1.918 33.256 31.823 -0.808 0.000 1.075 166 V HN 1.229 nan 8.190 nan 0.000 0.443 167 A N 2.681 125.489 122.820 -0.020 0.000 2.869 167 A HA -0.228 4.024 4.320 -0.114 0.000 0.280 167 A C 0.529 178.128 177.584 0.025 0.000 1.458 167 A CA 1.331 53.338 52.037 -0.050 0.000 0.776 167 A CB -2.482 16.361 19.000 -0.262 0.000 1.028 167 A HN 1.298 nan 8.150 nan 0.000 0.547 168 N N 0.024 118.783 118.700 0.099 0.000 3.188 168 N HA 0.245 4.917 4.740 -0.114 0.000 0.279 168 N C 0.359 175.989 175.510 0.199 0.000 1.213 168 N CA 0.126 53.257 53.050 0.134 0.000 1.138 168 N CB -0.266 38.305 38.487 0.140 0.000 1.417 168 N HN 0.600 nan 8.380 nan 0.000 0.526 169 N N 1.307 120.140 118.700 0.222 0.000 2.238 169 N HA 0.027 4.699 4.740 -0.114 0.000 0.222 169 N C -0.878 174.860 175.510 0.380 0.000 1.133 169 N CA -0.196 53.031 53.050 0.296 0.000 0.854 169 N CB 0.593 39.234 38.487 0.256 0.000 1.041 169 N HN 0.620 nan 8.380 nan 0.000 0.510 170 Q N -1.393 118.585 119.800 0.297 0.000 2.435 170 Q HA 0.381 4.653 4.340 -0.114 0.000 0.282 170 Q C -0.609 175.478 176.000 0.146 0.000 1.020 170 Q CA -0.802 55.165 55.803 0.273 0.000 0.820 170 Q CB 1.230 29.957 28.738 -0.017 0.000 1.436 170 Q HN -0.225 nan 8.270 nan 0.000 0.395 171 E N 0.684 120.959 120.200 0.125 0.000 2.216 171 E HA 0.059 4.341 4.350 -0.114 0.000 0.192 171 E C -0.070 176.512 176.600 -0.031 0.000 0.973 171 E CA 0.660 57.094 56.400 0.058 0.000 0.851 171 E CB 0.273 30.025 29.700 0.087 0.000 0.804 171 E HN 0.724 nan 8.360 nan 0.000 0.477 172 T N 2.947 117.462 114.554 -0.066 0.000 2.778 172 T HA -0.044 4.238 4.350 -0.114 0.000 0.282 172 T C 0.336 174.971 174.700 -0.109 0.000 0.983 172 T CA 0.322 62.357 62.100 -0.109 0.000 1.193 172 T CB -0.490 68.277 68.868 -0.169 0.000 0.938 172 T HN 0.275 nan 8.240 nan 0.000 0.523 173 N N 1.251 119.892 118.700 -0.099 0.000 2.721 173 N HA -0.263 4.409 4.740 -0.114 0.000 0.249 173 N C 1.579 177.049 175.510 -0.066 0.000 1.072 173 N CA 0.468 53.467 53.050 -0.085 0.000 0.710 173 N CB -0.332 38.109 38.487 -0.077 0.000 0.993 173 N HN 0.730 nan 8.380 nan 0.000 0.547 174 R N -0.173 120.282 120.500 -0.074 0.000 2.120 174 R HA -0.097 4.174 4.340 -0.114 0.000 0.234 174 R C 1.544 177.862 176.300 0.030 0.000 1.123 174 R CA 1.515 57.603 56.100 -0.020 0.000 0.975 174 R CB -0.283 30.008 30.300 -0.015 0.000 0.866 174 R HN 0.408 nan 8.270 nan 0.000 0.446 175 M N 0.556 120.119 119.600 -0.063 0.000 2.659 175 M HA 0.037 4.449 4.480 -0.114 0.000 0.243 175 M C 1.253 177.682 176.300 0.215 0.000 1.111 175 M CA 0.488 55.806 55.300 0.030 0.000 1.070 175 M CB 0.834 33.348 32.600 -0.144 0.000 1.525 175 M HN 0.082 nan 8.290 nan 0.000 0.517 176 V N -1.658 118.327 119.914 0.117 0.000 3.229 176 V HA 0.159 4.211 4.120 -0.114 0.000 0.239 176 V C 0.545 176.623 176.094 -0.026 0.000 1.390 176 V CA 0.036 62.385 62.300 0.081 0.000 1.231 176 V CB 1.349 33.188 31.823 0.026 0.000 1.025 176 V HN 0.083 nan 8.190 nan 0.000 0.461 177 V N 2.162 122.056 119.914 -0.034 0.000 2.673 177 V HA 0.128 4.180 4.120 -0.114 0.000 0.303 177 V C -0.213 175.813 176.094 -0.115 0.000 1.046 177 V CA 0.324 62.577 62.300 -0.078 0.000 1.126 177 V CB 1.248 33.026 31.823 -0.075 0.000 0.934 177 V HN 0.544 nan 8.190 nan 0.000 0.487 178 D N 3.984 124.298 120.400 -0.144 0.000 2.280 178 D HA 0.303 4.875 4.640 -0.114 0.000 0.243 178 D C -0.318 175.870 176.300 -0.187 0.000 1.129 178 D CA -0.009 53.884 54.000 -0.178 0.000 0.848 178 D CB 1.058 41.752 40.800 -0.178 0.000 1.107 178 D HN 0.645 nan 8.370 nan 0.000 0.471 179 T N 5.247 119.664 114.554 -0.228 0.000 2.738 179 T HA 0.312 4.593 4.350 -0.114 0.000 0.298 179 T C 0.291 174.746 174.700 -0.407 0.000 0.962 179 T CA -0.698 61.202 62.100 -0.334 0.000 0.972 179 T CB 0.428 69.075 68.868 -0.369 0.000 0.928 179 T HN 0.229 nan 8.240 nan 0.000 0.474 180 I N 4.807 125.133 120.570 -0.407 0.000 2.297 180 I HA 0.440 4.542 4.170 -0.114 0.000 0.291 180 I C -0.209 175.657 176.117 -0.418 0.000 1.033 180 I CA -0.695 60.404 61.300 -0.335 0.000 1.253 180 I CB 0.507 38.380 38.000 -0.211 0.000 1.396 180 I HN 0.333 nan 8.210 nan 0.000 0.476 181 V N 4.677 124.371 119.914 -0.367 0.000 2.777 181 V HA 0.346 4.398 4.120 -0.114 0.000 0.306 181 V C 0.277 176.283 176.094 -0.147 0.000 1.112 181 V CA -0.907 61.218 62.300 -0.291 0.000 0.917 181 V CB 2.003 33.574 31.823 -0.420 0.000 1.018 181 V HN 0.832 nan 8.190 nan 0.000 0.426 182 S N 1.621 117.296 115.700 -0.040 0.000 2.584 182 S HA 0.137 4.539 4.470 -0.114 0.000 0.270 182 S C 1.007 175.604 174.600 -0.005 0.000 1.346 182 S CA 0.447 58.635 58.200 -0.019 0.000 1.018 182 S CB 1.075 64.297 63.200 0.038 0.000 0.899 182 S HN 0.934 nan 8.310 nan 0.000 0.542 183 E N 1.003 121.198 120.200 -0.009 0.000 2.153 183 E HA -0.210 4.072 4.350 -0.114 0.000 0.194 183 E C 2.223 178.864 176.600 0.068 0.000 0.988 183 E CA 0.974 57.389 56.400 0.025 0.000 0.811 183 E CB -0.060 29.690 29.700 0.084 0.000 0.746 183 E HN 0.760 nan 8.360 nan 0.000 0.466 184 R N -0.065 120.532 120.500 0.161 0.000 2.075 184 R HA -0.116 4.156 4.340 -0.114 0.000 0.232 184 R C 2.216 178.573 176.300 0.095 0.000 1.126 184 R CA 1.258 57.469 56.100 0.186 0.000 0.963 184 R CB -0.256 30.152 30.300 0.181 0.000 0.858 184 R HN 0.193 nan 8.270 nan 0.000 0.435 185 A N 1.174 124.069 122.820 0.126 0.000 1.902 185 A HA -0.127 4.125 4.320 -0.114 0.000 0.217 185 A C 2.198 179.947 177.584 0.276 0.000 1.181 185 A CA 1.121 53.275 52.037 0.194 0.000 0.623 185 A CB -0.538 18.642 19.000 0.300 0.000 0.818 185 A HN 0.332 nan 8.150 nan 0.000 0.443 186 L N -0.991 120.381 121.223 0.247 0.000 1.989 186 L HA -0.231 4.041 4.340 -0.114 0.000 0.211 186 L C 2.930 179.940 176.870 0.233 0.000 1.071 186 L CA 1.806 56.814 54.840 0.279 0.000 0.749 186 L CB -0.479 41.704 42.059 0.206 0.000 0.890 186 L HN 0.364 nan 8.230 nan 0.000 0.431 187 R N -0.345 120.204 120.500 0.082 0.000 2.115 187 R HA -0.115 4.157 4.340 -0.114 0.000 0.226 187 R C 2.040 178.522 176.300 0.305 0.000 1.100 187 R CA 1.089 57.243 56.100 0.091 0.000 0.980 187 R CB -0.136 29.871 30.300 -0.488 0.000 0.875 187 R HN 0.513 nan 8.270 nan 0.000 0.445 188 E N -0.270 120.050 120.200 0.200 0.000 2.190 188 E HA -0.000 4.281 4.350 -0.114 0.000 0.191 188 E C 1.560 178.225 176.600 0.109 0.000 0.978 188 E CA 0.561 57.115 56.400 0.258 0.000 0.839 188 E CB 0.414 30.216 29.700 0.170 0.000 0.787 188 E HN 0.196 nan 8.360 nan 0.000 0.473 189 I N -0.967 119.607 120.570 0.007 0.000 3.534 189 I HA -0.027 4.075 4.170 -0.114 0.000 0.251 189 I C 1.766 177.750 176.117 -0.222 0.000 1.136 189 I CA 0.692 61.852 61.300 -0.234 0.000 1.475 189 I CB -1.005 36.643 38.000 -0.587 0.000 1.526 189 I HN 0.032 nan 8.210 nan 0.000 0.454 190 Y N 1.331 121.748 120.300 0.196 0.000 2.231 190 Y HA 0.098 4.577 4.550 -0.118 0.000 0.294 190 Y C 2.546 178.673 175.900 0.378 0.000 1.120 190 Y CA 0.906 59.156 58.100 0.249 0.000 1.141 190 Y CB -0.560 38.024 38.460 0.208 0.000 1.022 190 Y HN -0.041 nan 8.280 nan 0.000 0.523 191 L N -0.425 121.087 121.223 0.481 0.000 2.217 191 L HA -0.118 4.154 4.340 -0.114 0.000 0.211 191 L C 2.502 179.726 176.870 0.590 0.000 1.107 191 L CA 0.777 55.990 54.840 0.620 0.000 0.783 191 L CB -0.279 42.118 42.059 0.563 0.000 0.919 191 L HN 0.073 nan 8.230 nan 0.000 0.442 192 R N 0.839 121.542 120.500 0.338 0.000 2.081 192 R HA -0.115 4.157 4.340 -0.114 0.000 0.235 192 R C 2.170 178.473 176.300 0.004 0.000 1.131 192 R CA 1.720 57.901 56.100 0.136 0.000 0.960 192 R CB -1.045 29.322 30.300 0.111 0.000 0.856 192 R HN 0.269 nan 8.270 nan 0.000 0.436 193 G N -0.915 107.901 108.800 0.026 0.000 2.418 193 G HA2 -0.228 3.664 3.960 -0.114 0.000 0.217 193 G HA3 -0.228 3.664 3.960 -0.114 0.000 0.217 193 G C 1.248 176.035 174.900 -0.189 0.000 1.158 193 G CA 0.795 45.815 45.100 -0.133 0.000 0.771 193 G HN 0.353 nan 8.290 nan 0.000 0.545 194 F N 0.882 120.823 119.950 -0.016 0.000 2.171 194 F HA 0.029 4.487 4.527 -0.116 0.000 0.300 194 F C 2.542 178.119 175.800 -0.372 0.000 1.090 194 F CA 1.423 59.391 58.000 -0.054 0.000 1.293 194 F CB -0.168 38.974 39.000 0.237 0.000 1.013 194 F HN 0.230 nan 8.300 nan 0.000 0.486 195 E N 1.082 120.941 120.200 -0.569 0.000 2.058 195 E HA -0.226 4.056 4.350 -0.114 0.000 0.194 195 E C 2.233 178.425 176.600 -0.679 0.000 0.997 195 E CA 1.714 57.297 56.400 -1.362 0.000 0.801 195 E CB -0.275 28.598 29.700 -1.378 0.000 0.746 195 E HN 0.426 nan 8.360 nan 0.000 0.450 196 I N 1.077 121.397 120.570 -0.417 0.000 2.163 196 I HA -0.288 3.814 4.170 -0.114 0.000 0.243 196 I C 2.664 178.642 176.117 -0.231 0.000 1.085 196 I CA 1.191 62.317 61.300 -0.289 0.000 1.347 196 I CB -0.418 37.453 38.000 -0.214 0.000 1.044 196 I HN 0.201 nan 8.210 nan 0.000 0.408 197 A N 0.338 123.032 122.820 -0.210 0.000 1.902 197 A HA -0.145 4.107 4.320 -0.114 0.000 0.217 197 A C 2.457 179.977 177.584 -0.107 0.000 1.181 197 A CA 1.726 53.674 52.037 -0.148 0.000 0.623 197 A CB -0.977 17.936 19.000 -0.145 0.000 0.818 197 A HN 0.238 nan 8.150 nan 0.000 0.443 198 V N 0.115 119.955 119.914 -0.125 0.000 2.295 198 V HA -0.271 3.780 4.120 -0.114 0.000 0.246 198 V C 2.467 178.549 176.094 -0.020 0.000 1.049 198 V CA 2.438 64.722 62.300 -0.027 0.000 1.024 198 V CB -0.590 31.242 31.823 0.015 0.000 0.648 198 V HN 0.559 nan 8.190 nan 0.000 0.447 199 K N -0.389 119.935 120.400 -0.127 0.000 2.167 199 K HA -0.060 4.192 4.320 -0.114 0.000 0.203 199 K C 2.137 178.684 176.600 -0.089 0.000 1.052 199 K CA 0.928 57.150 56.287 -0.109 0.000 0.956 199 K CB -0.070 32.317 32.500 -0.190 0.000 0.735 199 K HN 0.418 nan 8.250 nan 0.000 0.451 200 K N 0.000 120.337 120.400 -0.105 0.000 2.242 200 K HA 0.014 4.266 4.320 -0.114 0.000 0.200 200 K C 1.955 178.515 176.600 -0.066 0.000 1.050 200 K CA 1.255 57.486 56.287 -0.092 0.000 0.981 200 K CB 0.489 32.921 32.500 -0.114 0.000 0.795 200 K HN 0.081 nan 8.250 nan 0.000 0.477 201 S N -0.037 115.632 115.700 -0.051 0.000 2.559 201 S HA 0.153 4.555 4.470 -0.114 0.000 0.226 201 S C 0.107 174.712 174.600 0.009 0.000 1.030 201 S CA -0.412 57.767 58.200 -0.035 0.000 0.956 201 S CB 0.205 63.375 63.200 -0.050 0.000 0.900 201 S HN 0.112 nan 8.310 nan 0.000 0.510 202 K N 2.145 122.569 120.400 0.040 0.000 3.653 202 K HA -0.084 4.168 4.320 -0.114 0.000 0.275 202 K C -2.698 173.997 176.600 0.159 0.000 0.962 202 K CA 0.514 56.861 56.287 0.100 0.000 0.773 202 K CB -1.425 31.112 32.500 0.061 0.000 1.463 202 K HN 0.481 nan 8.250 nan 0.000 0.450 203 P HA -0.107 nan 4.420 nan 0.000 0.269 203 P C 0.534 178.037 177.300 0.339 0.000 1.209 203 P CA -0.107 63.102 63.100 0.181 0.000 0.776 203 P CB 0.411 32.173 31.700 0.104 0.000 0.876 204 W N 1.865 123.161 121.300 -0.007 0.000 2.342 204 W HA -0.094 4.498 4.660 -0.115 0.000 0.297 204 W C 1.284 177.729 176.519 -0.124 0.000 1.213 204 W CA 1.309 58.625 57.345 -0.048 0.000 1.251 204 W CB -1.163 28.273 29.460 -0.039 0.000 1.136 204 W HN 0.423 nan 8.180 nan 0.000 0.526 205 S N -2.053 113.699 115.700 0.087 0.000 2.618 205 S HA 0.730 5.131 4.470 -0.114 0.000 0.277 205 S C -1.197 173.330 174.600 -0.122 0.000 1.138 205 S CA -1.081 56.989 58.200 -0.216 0.000 0.844 205 S CB 2.745 65.502 63.200 -0.738 0.000 1.127 205 S HN -0.261 nan 8.310 nan 0.000 0.474 206 V N 2.159 121.943 119.914 -0.217 0.000 2.656 206 V HA 0.546 4.597 4.120 -0.114 0.000 0.307 206 V C -0.575 175.447 176.094 -0.120 0.000 1.051 206 V CA -0.666 61.477 62.300 -0.260 0.000 0.893 206 V CB 1.903 33.379 31.823 -0.580 0.000 0.999 206 V HN 1.008 nan 8.190 nan 0.000 0.426 207 M N 4.472 124.048 119.600 -0.040 0.000 2.088 207 M HA 0.433 4.845 4.480 -0.114 0.000 0.346 207 M C 0.313 176.664 176.300 0.085 0.000 1.111 207 M CA -0.331 54.996 55.300 0.046 0.000 1.017 207 M CB 1.256 33.893 32.600 0.063 0.000 1.568 207 M HN 0.850 nan 8.290 nan 0.000 0.445 208 S N 4.071 119.821 115.700 0.084 0.000 2.564 208 S HA 0.605 5.006 4.470 -0.114 0.000 0.278 208 S C 0.202 174.828 174.600 0.043 0.000 1.333 208 S CA -0.850 57.402 58.200 0.086 0.000 1.048 208 S CB 1.048 64.288 63.200 0.068 0.000 0.900 208 S HN 0.790 nan 8.310 nan 0.000 0.505 209 A N 2.012 124.857 122.820 0.040 0.000 2.313 209 A HA 0.495 4.747 4.320 -0.114 0.000 0.261 209 A C 0.486 178.071 177.584 0.002 0.000 1.090 209 A CA -0.534 51.515 52.037 0.020 0.000 0.807 209 A CB -0.321 18.715 19.000 0.059 0.000 1.055 209 A HN 0.904 nan 8.150 nan 0.000 0.492 210 Y N 0.610 120.949 120.300 0.065 0.000 2.181 210 Y HA -0.148 4.333 4.550 -0.114 0.000 0.288 210 Y C 1.487 177.489 175.900 0.170 0.000 1.146 210 Y CA 1.754 59.903 58.100 0.081 0.000 1.164 210 Y CB -0.715 37.772 38.460 0.045 0.000 0.982 210 Y HN 0.864 nan 8.280 nan 0.000 0.515 211 N N 0.536 119.399 118.700 0.272 0.000 2.399 211 N HA 0.130 4.802 4.740 -0.114 0.000 0.250 211 N C -0.867 174.722 175.510 0.132 0.000 1.272 211 N CA -0.615 52.539 53.050 0.173 0.000 0.928 211 N CB 0.595 39.117 38.487 0.057 0.000 1.158 211 N HN -0.016 nan 8.380 nan 0.000 0.463 212 K N -0.150 120.223 120.400 -0.045 0.000 2.154 212 K HA 0.312 4.564 4.320 -0.114 0.000 0.264 212 K C -0.991 175.517 176.600 -0.154 0.000 1.008 212 K CA -0.678 55.505 56.287 -0.175 0.000 0.937 212 K CB 0.699 32.983 32.500 -0.360 0.000 1.002 212 K HN 0.428 nan 8.250 nan 0.000 0.469 213 L N 3.380 124.510 121.223 -0.156 0.000 2.372 213 L HA 0.289 4.561 4.340 -0.114 0.000 0.273 213 L C -0.806 175.938 176.870 -0.209 0.000 0.989 213 L CA -0.058 54.666 54.840 -0.193 0.000 0.841 213 L CB 0.730 42.690 42.059 -0.165 0.000 1.225 213 L HN 0.596 nan 8.230 nan 0.000 0.414 214 N N 4.530 123.085 118.700 -0.241 0.000 2.725 214 N HA -0.219 4.453 4.740 -0.114 0.000 0.251 214 N C 0.916 176.307 175.510 -0.198 0.000 1.031 214 N CA 1.331 54.241 53.050 -0.234 0.000 0.720 214 N CB -1.018 37.302 38.487 -0.278 0.000 0.930 214 N HN 1.252 nan 8.380 nan 0.000 0.543 215 G N -1.477 107.209 108.800 -0.190 0.000 2.213 215 G HA2 -0.288 3.604 3.960 -0.114 0.000 0.226 215 G HA3 -0.288 3.604 3.960 -0.114 0.000 0.226 215 G C -0.015 174.780 174.900 -0.175 0.000 0.992 215 G CA 0.466 45.462 45.100 -0.173 0.000 0.632 215 G HN 0.455 nan 8.290 nan 0.000 0.511 216 K N 0.119 120.424 120.400 -0.160 0.000 2.426 216 K HA 0.529 4.781 4.320 -0.114 0.000 0.254 216 K C -0.574 175.982 176.600 -0.074 0.000 0.936 216 K CA -0.992 55.231 56.287 -0.107 0.000 0.801 216 K CB 1.408 33.883 32.500 -0.041 0.000 1.139 216 K HN 0.073 nan 8.250 nan 0.000 0.424 217 Y N 1.068 121.354 120.300 -0.023 0.000 2.904 217 Y HA -0.234 4.248 4.550 -0.113 0.000 0.336 217 Y C 1.583 177.474 175.900 -0.016 0.000 1.263 217 Y CA 0.147 58.242 58.100 -0.008 0.000 1.547 217 Y CB 0.168 38.639 38.460 0.017 0.000 1.272 217 Y HN 0.726 nan 8.280 nan 0.000 0.596 218 C N 0.772 120.172 119.300 0.167 0.000 2.425 218 C HA -0.199 4.193 4.460 -0.114 0.000 0.277 218 C C 2.637 177.666 174.990 0.065 0.000 1.280 218 C CA 1.547 60.595 59.018 0.050 0.000 1.744 218 C CB -1.376 26.356 27.740 -0.013 0.000 1.989 218 C HN 0.994 nan 8.230 nan 0.000 0.491 219 S N -0.045 115.707 115.700 0.087 0.000 2.507 219 S HA -0.111 4.290 4.470 -0.114 0.000 0.235 219 S C 1.145 175.784 174.600 0.065 0.000 0.988 219 S CA 0.986 59.218 58.200 0.053 0.000 0.944 219 S CB -0.444 62.758 63.200 0.003 0.000 0.762 219 S HN 0.811 nan 8.310 nan 0.000 0.526 220 Q N 0.746 120.608 119.800 0.105 0.000 2.135 220 Q HA 0.343 4.615 4.340 -0.114 0.000 0.231 220 Q C -0.734 175.318 176.000 0.086 0.000 0.817 220 Q CA -0.289 55.573 55.803 0.098 0.000 1.073 220 Q CB 0.480 29.299 28.738 0.134 0.000 1.176 220 Q HN 0.305 nan 8.270 nan 0.000 0.478 221 N N 1.469 120.214 118.700 0.075 0.000 2.527 221 N HA 0.031 4.703 4.740 -0.114 0.000 0.236 221 N C 0.247 175.802 175.510 0.074 0.000 0.999 221 N CA 0.181 53.274 53.050 0.072 0.000 0.935 221 N CB 1.242 39.765 38.487 0.061 0.000 1.132 221 N HN 0.242 nan 8.380 nan 0.000 0.511 222 E N 2.956 123.206 120.200 0.083 0.000 2.072 222 E HA -0.161 4.121 4.350 -0.114 0.000 0.191 222 E C 1.301 177.947 176.600 0.076 0.000 0.985 222 E CA 1.058 57.498 56.400 0.068 0.000 0.801 222 E CB -0.043 29.696 29.700 0.065 0.000 0.750 222 E HN 0.719 nan 8.360 nan 0.000 0.452 223 W N 0.818 122.082 121.300 -0.061 0.000 2.321 223 W HA -0.247 4.340 4.660 -0.122 0.000 0.306 223 W C 1.885 178.330 176.519 -0.123 0.000 1.217 223 W CA 1.739 59.035 57.345 -0.083 0.000 1.257 223 W CB -0.352 29.056 29.460 -0.087 0.000 1.145 223 W HN 0.248 nan 8.180 nan 0.000 0.509 224 L N 0.397 121.605 121.223 -0.025 0.000 2.049 224 L HA -0.028 4.244 4.340 -0.114 0.000 0.203 224 L C 2.236 178.969 176.870 -0.229 0.000 1.074 224 L CA 2.014 56.680 54.840 -0.289 0.000 0.749 224 L CB -0.983 40.985 42.059 -0.153 0.000 0.907 224 L HN 0.063 nan 8.230 nan 0.000 0.439 225 L N -1.303 119.875 121.223 -0.075 0.000 2.418 225 L HA -0.010 4.262 4.340 -0.114 0.000 0.218 225 L C 2.206 179.045 176.870 -0.051 0.000 1.125 225 L CA 0.663 55.498 54.840 -0.009 0.000 0.835 225 L CB -0.251 41.833 42.059 0.041 0.000 0.953 225 L HN 0.277 nan 8.230 nan 0.000 0.454 226 K N -0.158 120.185 120.400 -0.096 0.000 2.363 226 K HA 0.095 4.347 4.320 -0.114 0.000 0.215 226 K C 2.020 178.526 176.600 -0.157 0.000 1.179 226 K CA -0.019 56.220 56.287 -0.080 0.000 0.856 226 K CB 0.417 32.900 32.500 -0.029 0.000 1.371 226 K HN -0.064 nan 8.250 nan 0.000 0.455 227 K N 0.561 120.829 120.400 -0.220 0.000 2.002 227 K HA -0.093 4.159 4.320 -0.114 0.000 0.209 227 K C 2.008 178.351 176.600 -0.430 0.000 1.048 227 K CA 1.573 57.699 56.287 -0.268 0.000 0.930 227 K CB -0.120 32.221 32.500 -0.264 0.000 0.714 227 K HN -0.052 nan 8.250 nan 0.000 0.438 228 V N 1.573 121.050 119.914 -0.730 0.000 2.231 228 V HA -0.207 3.845 4.120 -0.114 0.000 0.240 228 V C 2.214 177.727 176.094 -0.967 0.000 1.039 228 V CA 1.287 63.004 62.300 -0.971 0.000 0.998 228 V CB -0.535 30.501 31.823 -1.311 0.000 0.639 228 V HN 0.198 nan 8.190 nan 0.000 0.451 229 L N -0.244 120.520 121.223 -0.764 0.000 1.990 229 L HA -0.196 4.075 4.340 -0.114 0.000 0.213 229 L C 2.474 179.287 176.870 -0.094 0.000 1.072 229 L CA 2.216 56.769 54.840 -0.478 0.000 0.755 229 L CB -0.601 41.279 42.059 -0.298 0.000 0.889 229 L HN 0.196 nan 8.230 nan 0.000 0.432 230 R N -0.558 119.905 120.500 -0.062 0.000 2.041 230 R HA 0.054 4.326 4.340 -0.114 0.000 0.221 230 R C 2.218 178.526 176.300 0.013 0.000 1.196 230 R CA 1.428 57.555 56.100 0.045 0.000 0.969 230 R CB -0.596 29.726 30.300 0.036 0.000 0.858 230 R HN 0.405 nan 8.270 nan 0.000 0.444 231 E N 0.335 120.511 120.200 -0.040 0.000 2.051 231 E HA -0.204 4.078 4.350 -0.114 0.000 0.192 231 E C 1.873 178.479 176.600 0.011 0.000 0.991 231 E CA 1.466 57.856 56.400 -0.016 0.000 0.799 231 E CB 0.008 29.689 29.700 -0.032 0.000 0.748 231 E HN 0.395 nan 8.360 nan 0.000 0.449 232 E N -0.269 119.910 120.200 -0.036 0.000 2.021 232 E HA -0.109 4.173 4.350 -0.114 0.000 0.189 232 E C 1.853 178.599 176.600 0.243 0.000 0.980 232 E CA 0.749 57.189 56.400 0.067 0.000 0.803 232 E CB -0.049 29.644 29.700 -0.012 0.000 0.766 232 E HN 0.321 nan 8.360 nan 0.000 0.449 233 W N -0.027 121.277 121.300 0.007 0.000 2.770 233 W HA 0.225 4.812 4.660 -0.122 0.000 0.256 233 W C 1.219 177.756 176.519 0.029 0.000 1.291 233 W CA 0.944 58.295 57.345 0.011 0.000 1.396 233 W CB -0.514 28.947 29.460 0.001 0.000 1.114 233 W HN 0.258 nan 8.180 nan 0.000 0.637 234 G N 0.562 109.508 108.800 0.243 0.000 2.176 234 G HA2 -0.328 3.564 3.960 -0.114 0.000 0.252 234 G HA3 -0.328 3.564 3.960 -0.114 0.000 0.252 234 G C -0.043 174.960 174.900 0.172 0.000 1.024 234 G CA -0.245 44.946 45.100 0.152 0.000 0.755 234 G HN 0.136 nan 8.290 nan 0.000 0.507 235 F N 1.031 121.026 119.950 0.075 0.000 2.602 235 F HA 0.368 4.827 4.527 -0.113 0.000 0.385 235 F C 1.116 176.918 175.800 0.004 0.000 1.063 235 F CA 0.513 58.535 58.000 0.038 0.000 1.233 235 F CB 0.584 39.597 39.000 0.021 0.000 1.067 235 F HN 0.260 nan 8.300 nan 0.000 0.564 236 E N 3.383 123.208 120.200 -0.624 0.000 2.501 236 E HA 0.214 4.496 4.350 -0.114 0.000 0.201 236 E C 1.020 177.153 176.600 -0.778 0.000 1.016 236 E CA -0.034 56.038 56.400 -0.546 0.000 0.920 236 E CB 0.451 29.983 29.700 -0.278 0.000 1.023 236 E HN 0.812 nan 8.360 nan 0.000 0.474 237 G N 0.813 108.625 108.800 -1.646 0.000 2.782 237 G HA2 0.470 4.362 3.960 -0.114 0.000 0.201 237 G HA3 0.470 4.362 3.960 -0.114 0.000 0.201 237 G C -0.532 174.129 174.900 -0.399 0.000 1.374 237 G CA -0.593 43.954 45.100 -0.921 0.000 1.039 237 G HN 0.165 nan 8.290 nan 0.000 0.576 238 F N -1.612 118.332 119.950 -0.010 0.000 2.579 238 F HA 0.785 5.244 4.527 -0.113 0.000 0.324 238 F C -0.764 175.220 175.800 0.307 0.000 1.058 238 F CA -1.507 56.576 58.000 0.139 0.000 0.944 238 F CB 1.835 40.843 39.000 0.014 0.000 1.245 238 F HN 0.288 nan 8.300 nan 0.000 0.477 239 V N 4.299 124.418 119.914 0.343 0.000 2.435 239 V HA 0.472 4.524 4.120 -0.114 0.000 0.290 239 V C 0.150 176.396 176.094 0.254 0.000 1.030 239 V CA -0.712 61.690 62.300 0.169 0.000 0.881 239 V CB 1.394 33.299 31.823 0.137 0.000 0.983 239 V HN 0.952 nan 8.190 nan 0.000 0.445 240 M N 3.229 122.934 119.600 0.174 0.000 2.664 240 M HA 0.779 5.191 4.480 -0.114 0.000 0.314 240 M C -0.057 176.332 176.300 0.147 0.000 1.200 240 M CA -0.414 55.019 55.300 0.221 0.000 0.916 240 M CB 2.241 35.028 32.600 0.312 0.000 1.717 240 M HN 0.560 nan 8.290 nan 0.000 0.470 241 S N 1.563 117.327 115.700 0.106 0.000 2.601 241 S HA 0.731 5.133 4.470 -0.114 0.000 0.271 241 S C 0.290 174.977 174.600 0.145 0.000 1.305 241 S CA -0.561 57.678 58.200 0.065 0.000 1.022 241 S CB 1.060 64.260 63.200 -0.001 0.000 0.940 241 S HN 1.015 nan 8.310 nan 0.000 0.525 242 A N 2.385 125.219 122.820 0.024 0.000 2.492 242 A HA 0.186 4.438 4.320 -0.114 0.000 0.236 242 A C 0.277 177.981 177.584 0.199 0.000 1.078 242 A CA -0.550 51.468 52.037 -0.031 0.000 0.773 242 A CB -0.191 18.315 19.000 -0.823 0.000 1.023 242 A HN 0.899 nan 8.150 nan 0.000 0.504 243 W N 1.396 122.620 121.300 -0.126 0.000 2.489 243 W HA 0.243 4.834 4.660 -0.114 0.000 0.327 243 W C -0.204 176.374 176.519 0.099 0.000 1.436 243 W CA 0.571 57.844 57.345 -0.121 0.000 1.315 243 W CB -0.244 29.171 29.460 -0.075 0.000 1.373 243 W HN 0.889 nan 8.180 nan 0.000 0.557 244 Y N -0.222 120.207 120.300 0.215 0.000 4.841 244 Y HA -0.283 4.199 4.550 -0.114 0.000 0.242 244 Y C 0.936 176.939 175.900 0.171 0.000 1.002 244 Y CA 0.120 58.309 58.100 0.150 0.000 2.011 244 Y CB -1.825 36.732 38.460 0.162 0.000 1.554 244 Y HN 0.487 nan 8.280 nan 0.000 0.618 245 A N 1.202 124.186 122.820 0.273 0.000 2.366 245 A HA 0.603 4.855 4.320 -0.114 0.000 0.249 245 A C 1.251 178.765 177.584 -0.116 0.000 1.084 245 A CA 0.745 52.880 52.037 0.164 0.000 0.794 245 A CB -0.120 18.878 19.000 -0.003 0.000 1.034 245 A HN 1.664 nan 8.150 nan 0.000 0.491 246 G N 0.736 109.239 108.800 -0.496 0.000 2.741 246 G HA2 0.056 3.947 3.960 -0.114 0.000 0.222 246 G HA3 0.056 3.947 3.960 -0.114 0.000 0.222 246 G C -0.220 174.382 174.900 -0.497 0.000 1.364 246 G CA 0.831 45.435 45.100 -0.826 0.000 0.866 246 G HN 1.869 nan 8.290 nan 0.000 0.555 247 D N -1.478 118.770 120.400 -0.254 0.000 2.497 247 D HA 0.192 4.764 4.640 -0.114 0.000 0.256 247 D C 0.309 176.615 176.300 0.010 0.000 1.273 247 D CA 0.227 54.200 54.000 -0.045 0.000 0.812 247 D CB 0.228 41.078 40.800 0.082 0.000 1.190 247 D HN 0.542 nan 8.370 nan 0.000 0.524 248 N N 0.669 119.371 118.700 0.003 0.000 2.629 248 N HA 0.225 4.897 4.740 -0.114 0.000 0.277 248 N C -2.429 173.091 175.510 0.016 0.000 1.188 248 N CA -1.296 51.769 53.050 0.024 0.000 0.835 248 N CB 2.474 40.988 38.487 0.046 0.000 1.420 248 N HN -0.290 nan 8.380 nan 0.000 0.542 249 P HA -0.061 nan 4.420 nan 0.000 0.218 249 P C 1.399 178.707 177.300 0.014 0.000 1.149 249 P CA 0.616 63.723 63.100 0.011 0.000 0.817 249 P CB 0.674 32.382 31.700 0.013 0.000 0.785 250 V N 0.382 120.306 119.914 0.017 0.000 2.379 250 V HA -0.177 3.875 4.120 -0.114 0.000 0.245 250 V C 2.450 178.557 176.094 0.022 0.000 1.044 250 V CA 1.697 64.007 62.300 0.017 0.000 1.036 250 V CB -1.074 30.758 31.823 0.015 0.000 0.664 250 V HN 0.082 nan 8.190 nan 0.000 0.453 251 E N 0.127 120.344 120.200 0.029 0.000 2.110 251 E HA -0.230 4.052 4.350 -0.114 0.000 0.193 251 E C 2.276 178.899 176.600 0.039 0.000 0.988 251 E CA 1.209 57.632 56.400 0.038 0.000 0.804 251 E CB -0.242 29.489 29.700 0.052 0.000 0.745 251 E HN 0.690 nan 8.360 nan 0.000 0.458 252 Q N 0.238 120.058 119.800 0.033 0.000 2.030 252 Q HA -0.110 4.162 4.340 -0.114 0.000 0.204 252 Q C 2.507 178.528 176.000 0.035 0.000 0.986 252 Q CA 1.177 56.999 55.803 0.033 0.000 0.843 252 Q CB -0.195 28.554 28.738 0.019 0.000 0.904 252 Q HN 0.255 nan 8.270 nan 0.000 0.420 253 L N 0.572 121.811 121.223 0.028 0.000 2.046 253 L HA -0.215 4.057 4.340 -0.114 0.000 0.208 253 L C 2.301 179.188 176.870 0.028 0.000 1.077 253 L CA 1.292 56.148 54.840 0.027 0.000 0.747 253 L CB -0.421 41.648 42.059 0.016 0.000 0.896 253 L HN 0.143 nan 8.230 nan 0.000 0.432 254 K N 0.156 120.572 120.400 0.026 0.000 2.147 254 K HA -0.126 4.126 4.320 -0.114 0.000 0.205 254 K C 2.142 178.760 176.600 0.031 0.000 1.049 254 K CA 1.288 57.590 56.287 0.026 0.000 0.936 254 K CB -0.221 32.293 32.500 0.025 0.000 0.722 254 K HN 0.303 nan 8.250 nan 0.000 0.446 255 A N 0.228 123.071 122.820 0.038 0.000 2.066 255 A HA 0.088 4.340 4.320 -0.114 0.000 0.218 255 A C 1.544 179.152 177.584 0.041 0.000 1.157 255 A CA 1.299 53.362 52.037 0.042 0.000 0.670 255 A CB -0.191 18.840 19.000 0.051 0.000 0.804 255 A HN 0.433 nan 8.150 nan 0.000 0.453 256 G N -1.052 107.775 108.800 0.046 0.000 2.168 256 G HA2 -0.206 3.686 3.960 -0.114 0.000 0.197 256 G HA3 -0.206 3.686 3.960 -0.114 0.000 0.197 256 G C -0.024 174.925 174.900 0.082 0.000 0.997 256 G CA 0.097 45.232 45.100 0.058 0.000 0.658 256 G HN 0.541 nan 8.290 nan 0.000 0.513 257 N N 1.291 120.035 118.700 0.074 0.000 2.555 257 N HA 0.162 4.834 4.740 -0.114 0.000 0.244 257 N C 0.751 176.316 175.510 0.092 0.000 1.114 257 N CA 0.203 53.306 53.050 0.088 0.000 0.963 257 N CB 0.349 38.876 38.487 0.066 0.000 1.276 257 N HN 0.296 nan 8.380 nan 0.000 0.510 258 D N 1.546 122.027 120.400 0.135 0.000 2.144 258 D HA -0.118 4.454 4.640 -0.114 0.000 0.200 258 D C 0.390 176.736 176.300 0.076 0.000 0.978 258 D CA 0.830 54.894 54.000 0.107 0.000 0.833 258 D CB 0.639 41.529 40.800 0.150 0.000 0.961 258 D HN 0.358 nan 8.370 nan 0.000 0.470 259 L N 1.085 122.386 121.223 0.129 0.000 2.372 259 L HA 0.359 4.631 4.340 -0.114 0.000 0.274 259 L C -1.022 175.874 176.870 0.043 0.000 0.988 259 L CA -0.490 54.398 54.840 0.080 0.000 0.833 259 L CB 1.580 43.720 42.059 0.135 0.000 1.236 259 L HN -0.205 nan 8.230 nan 0.000 0.410 260 I N 6.486 127.047 120.570 -0.015 0.000 2.301 260 I HA 0.317 4.419 4.170 -0.114 0.000 0.292 260 I C -0.213 175.794 176.117 -0.184 0.000 1.046 260 I CA 0.042 61.301 61.300 -0.068 0.000 1.282 260 I CB 0.643 38.617 38.000 -0.044 0.000 1.409 260 I HN 0.488 nan 8.210 nan 0.000 0.484 261 M N 8.860 128.266 119.600 -0.324 0.000 2.598 261 M HA 0.397 4.809 4.480 -0.114 0.000 0.317 261 M C -1.951 173.784 176.300 -0.942 0.000 1.179 261 M CA -2.389 52.462 55.300 -0.750 0.000 0.936 261 M CB 1.713 33.582 32.600 -1.219 0.000 1.713 261 M HN 0.181 nan 8.290 nan 0.000 0.460 262 P HA 0.167 nan 4.420 nan 0.000 0.255 262 P C 0.343 177.327 177.300 -0.526 0.000 1.248 262 P CA 0.637 63.053 63.100 -1.141 0.000 0.807 262 P CB 0.601 31.638 31.700 -1.105 0.000 1.150 263 G N 1.113 109.682 108.800 -0.385 0.000 2.663 263 G HA2 -0.113 3.779 3.960 -0.114 0.000 0.686 263 G HA3 -0.113 3.779 3.960 -0.114 0.000 0.686 263 G C -0.722 174.121 174.900 -0.096 0.000 1.246 263 G CA -0.505 44.502 45.100 -0.154 0.000 0.795 263 G HN 0.079 nan 8.290 nan 0.000 0.627 264 K N -1.309 119.042 120.400 -0.081 0.000 3.239 264 K HA -0.167 4.085 4.320 -0.114 0.000 0.270 264 K C 1.724 178.075 176.600 -0.415 0.000 1.049 264 K CA 1.142 57.213 56.287 -0.361 0.000 0.769 264 K CB -1.570 30.671 32.500 -0.431 0.000 1.305 264 K HN 1.980 nan 8.250 nan 0.000 0.469 265 A N 0.478 123.240 122.820 -0.097 0.000 2.076 265 A HA -0.200 4.052 4.320 -0.114 0.000 0.220 265 A C 1.698 179.180 177.584 -0.170 0.000 1.160 265 A CA 1.649 53.690 52.037 0.007 0.000 0.653 265 A CB -0.746 18.320 19.000 0.109 0.000 0.801 265 A HN 0.677 nan 8.150 nan 0.000 0.455 266 Y N -0.959 119.306 120.300 -0.060 0.000 2.403 266 Y HA -0.135 4.347 4.550 -0.114 0.000 0.291 266 Y C 1.973 177.753 175.900 -0.199 0.000 1.143 266 Y CA 1.219 59.256 58.100 -0.106 0.000 1.257 266 Y CB -0.822 37.597 38.460 -0.068 0.000 0.984 266 Y HN 0.366 nan 8.280 nan 0.000 0.550 267 Q N 0.076 119.509 119.800 -0.611 0.000 2.364 267 Q HA -0.032 4.240 4.340 -0.114 0.000 0.207 267 Q C 1.690 177.197 176.000 -0.822 0.000 0.970 267 Q CA 1.291 56.669 55.803 -0.708 0.000 0.888 267 Q CB 0.139 28.296 28.738 -0.969 0.000 0.951 267 Q HN 0.532 nan 8.270 nan 0.000 0.469 268 V N -0.131 119.390 119.914 -0.655 0.000 3.572 268 V HA 0.094 4.146 4.120 -0.114 0.000 0.260 268 V C -0.109 175.785 176.094 -0.333 0.000 1.324 268 V CA 0.169 62.124 62.300 -0.574 0.000 1.068 268 V CB 0.957 32.255 31.823 -0.874 0.000 0.837 268 V HN 0.209 nan 8.190 nan 0.000 0.450 269 N N -0.093 118.456 118.700 -0.251 0.000 2.609 269 N HA 0.096 4.767 4.740 -0.114 0.000 0.268 269 N C 0.751 176.225 175.510 -0.060 0.000 1.106 269 N CA 0.458 53.430 53.050 -0.131 0.000 0.823 269 N CB 1.717 40.141 38.487 -0.105 0.000 1.263 269 N HN -0.001 nan 8.380 nan 0.000 0.533 270 T N 1.367 115.893 114.554 -0.047 0.000 2.896 270 T HA -0.120 4.162 4.350 -0.114 0.000 0.270 270 T C 0.799 175.502 174.700 0.004 0.000 1.104 270 T CA 1.708 63.801 62.100 -0.010 0.000 1.115 270 T CB 0.147 69.004 68.868 -0.019 0.000 0.843 270 T HN 0.576 nan 8.240 nan 0.000 0.523 271 E N -0.398 119.801 120.200 -0.002 0.000 2.474 271 E HA 0.118 4.400 4.350 -0.114 0.000 0.194 271 E C 0.516 177.127 176.600 0.018 0.000 1.041 271 E CA -0.134 56.268 56.400 0.004 0.000 0.874 271 E CB 0.376 30.076 29.700 -0.000 0.000 0.914 271 E HN 0.206 nan 8.360 nan 0.000 0.498 272 R N 1.340 121.860 120.500 0.032 0.000 2.410 272 R HA 0.321 4.593 4.340 -0.114 0.000 0.288 272 R C 0.162 176.514 176.300 0.087 0.000 1.051 272 R CA -0.169 55.964 56.100 0.055 0.000 1.021 272 R CB 0.763 31.099 30.300 0.058 0.000 1.032 272 R HN 0.060 nan 8.270 nan 0.000 0.481 273 R N 0.434 120.976 120.500 0.070 0.000 2.577 273 R HA 0.065 4.337 4.340 -0.114 0.000 0.269 273 R C -0.159 176.229 176.300 0.146 0.000 1.084 273 R CA -0.599 55.536 56.100 0.058 0.000 1.163 273 R CB 0.397 30.709 30.300 0.021 0.000 1.100 273 R HN 0.523 nan 8.270 nan 0.000 0.547 274 D N 1.258 121.729 120.400 0.118 0.000 2.450 274 D HA -0.080 4.492 4.640 -0.114 0.000 0.247 274 D C 1.087 177.461 176.300 0.123 0.000 1.162 274 D CA 0.072 54.207 54.000 0.225 0.000 0.879 274 D CB 0.899 41.751 40.800 0.086 0.000 1.163 274 D HN 0.478 nan 8.370 nan 0.000 0.472 275 E N 4.218 124.493 120.200 0.124 0.000 2.106 275 E HA -0.175 4.107 4.350 -0.114 0.000 0.192 275 E C 2.037 178.658 176.600 0.034 0.000 0.984 275 E CA 0.813 57.250 56.400 0.062 0.000 0.806 275 E CB -0.390 29.337 29.700 0.044 0.000 0.750 275 E HN 0.664 nan 8.360 nan 0.000 0.458 276 I N 1.582 122.173 120.570 0.035 0.000 2.208 276 I HA -0.271 3.831 4.170 -0.114 0.000 0.245 276 I C 2.502 178.616 176.117 -0.005 0.000 1.097 276 I CA 1.627 62.925 61.300 -0.003 0.000 1.363 276 I CB -0.262 37.723 38.000 -0.025 0.000 1.051 276 I HN 0.074 nan 8.210 nan 0.000 0.413 277 E N 0.307 120.510 120.200 0.005 0.000 2.077 277 E HA -0.279 4.002 4.350 -0.114 0.000 0.193 277 E C 2.097 178.694 176.600 -0.004 0.000 0.989 277 E CA 1.279 57.675 56.400 -0.007 0.000 0.800 277 E CB -0.079 29.611 29.700 -0.017 0.000 0.746 277 E HN 0.456 nan 8.360 nan 0.000 0.452 278 E N 0.715 120.918 120.200 0.006 0.000 2.077 278 E HA -0.191 4.091 4.350 -0.114 0.000 0.193 278 E C 2.038 178.640 176.600 0.003 0.000 0.989 278 E CA 0.895 57.299 56.400 0.006 0.000 0.800 278 E CB 0.011 29.721 29.700 0.016 0.000 0.746 278 E HN 0.208 nan 8.360 nan 0.000 0.452 279 I N 0.457 121.028 120.570 0.002 0.000 2.179 279 I HA -0.288 3.813 4.170 -0.114 0.000 0.242 279 I C 2.513 178.625 176.117 -0.008 0.000 1.088 279 I CA 0.718 62.017 61.300 -0.003 0.000 1.357 279 I CB -0.265 37.731 38.000 -0.007 0.000 1.051 279 I HN 0.250 nan 8.210 nan 0.000 0.409 280 M N 0.248 119.840 119.600 -0.012 0.000 2.082 280 M HA -0.273 4.139 4.480 -0.114 0.000 0.258 280 M C 2.300 178.594 176.300 -0.011 0.000 1.069 280 M CA 1.808 57.099 55.300 -0.015 0.000 1.102 280 M CB -1.293 31.296 32.600 -0.018 0.000 1.336 280 M HN 0.327 nan 8.290 nan 0.000 0.404 281 E N -0.042 120.153 120.200 -0.009 0.000 2.077 281 E HA -0.165 4.117 4.350 -0.114 0.000 0.193 281 E C 1.951 178.548 176.600 -0.005 0.000 0.989 281 E CA 1.465 57.861 56.400 -0.007 0.000 0.800 281 E CB 0.034 29.730 29.700 -0.007 0.000 0.746 281 E HN 0.442 nan 8.360 nan 0.000 0.452 282 A N 1.016 123.834 122.820 -0.003 0.000 1.933 282 A HA -0.136 4.116 4.320 -0.114 0.000 0.218 282 A C 2.216 179.798 177.584 -0.002 0.000 1.175 282 A CA 1.132 53.168 52.037 -0.001 0.000 0.628 282 A CB -0.607 18.394 19.000 0.002 0.000 0.814 282 A HN 0.322 nan 8.150 nan 0.000 0.444 283 L N -0.677 120.543 121.223 -0.005 0.000 2.046 283 L HA -0.189 4.083 4.340 -0.114 0.000 0.208 283 L C 2.636 179.502 176.870 -0.005 0.000 1.077 283 L CA 1.896 56.732 54.840 -0.005 0.000 0.747 283 L CB -0.391 41.663 42.059 -0.008 0.000 0.896 283 L HN 0.447 nan 8.230 nan 0.000 0.432 284 K N 0.439 120.836 120.400 -0.006 0.000 2.097 284 K HA -0.192 4.060 4.320 -0.114 0.000 0.206 284 K C 1.669 178.266 176.600 -0.005 0.000 1.049 284 K CA 1.526 57.810 56.287 -0.006 0.000 0.933 284 K CB 0.093 32.589 32.500 -0.007 0.000 0.717 284 K HN 0.382 nan 8.250 nan 0.000 0.442 285 E N -1.290 118.908 120.200 -0.004 0.000 2.474 285 E HA 0.045 4.327 4.350 -0.114 0.000 0.194 285 E C 0.629 177.228 176.600 -0.002 0.000 1.041 285 E CA 0.395 56.793 56.400 -0.003 0.000 0.874 285 E CB 0.540 30.239 29.700 -0.002 0.000 0.914 285 E HN 0.585 nan 8.360 nan 0.000 0.498 286 G N 2.107 110.906 108.800 -0.002 0.000 2.143 286 G HA2 -0.338 3.553 3.960 -0.114 0.000 0.249 286 G HA3 -0.338 3.553 3.960 -0.114 0.000 0.249 286 G C 0.822 175.722 174.900 0.001 0.000 0.981 286 G CA 0.583 45.683 45.100 -0.001 0.000 0.665 286 G HN 0.220 nan 8.290 nan 0.000 0.528 287 K N -1.277 119.124 120.400 0.001 0.000 2.288 287 K HA 0.254 4.506 4.320 -0.114 0.000 0.201 287 K C 0.736 177.339 176.600 0.005 0.000 1.048 287 K CA 0.889 57.178 56.287 0.004 0.000 0.956 287 K CB 0.245 32.748 32.500 0.004 0.000 0.746 287 K HN 0.417 nan 8.250 nan 0.000 0.461 288 L N 0.311 121.535 121.223 0.003 0.000 2.436 288 L HA 0.201 4.473 4.340 -0.114 0.000 0.268 288 L C -0.672 176.198 176.870 0.001 0.000 0.974 288 L CA -0.530 54.312 54.840 0.003 0.000 0.826 288 L CB 2.016 44.076 42.059 0.003 0.000 1.291 288 L HN -0.036 nan 8.230 nan 0.000 0.406 289 S N 1.960 117.661 115.700 0.001 0.000 2.610 289 S HA 0.293 4.695 4.470 -0.114 0.000 0.273 289 S C 0.772 175.370 174.600 -0.003 0.000 1.274 289 S CA -0.121 58.078 58.200 -0.001 0.000 1.023 289 S CB 1.267 64.467 63.200 0.000 0.000 0.962 289 S HN 0.832 nan 8.310 nan 0.000 0.523 290 E N 1.030 121.228 120.200 -0.005 0.000 2.204 290 E HA -0.181 4.101 4.350 -0.114 0.000 0.194 290 E C 1.701 178.297 176.600 -0.008 0.000 0.989 290 E CA 1.282 57.677 56.400 -0.007 0.000 0.824 290 E CB -0.036 29.659 29.700 -0.008 0.000 0.756 290 E HN 0.835 nan 8.360 nan 0.000 0.477 291 E N 0.315 120.512 120.200 -0.006 0.000 2.077 291 E HA -0.169 4.113 4.350 -0.114 0.000 0.193 291 E C 2.250 178.846 176.600 -0.006 0.000 0.989 291 E CA 1.113 57.509 56.400 -0.007 0.000 0.800 291 E CB -0.587 29.111 29.700 -0.005 0.000 0.746 291 E HN 0.209 nan 8.360 nan 0.000 0.452 292 V N 1.796 121.708 119.914 -0.003 0.000 2.343 292 V HA -0.243 3.809 4.120 -0.114 0.000 0.247 292 V C 2.562 178.654 176.094 -0.003 0.000 1.051 292 V CA 1.679 63.979 62.300 -0.000 0.000 1.036 292 V CB -0.671 31.155 31.823 0.004 0.000 0.654 292 V HN 0.138 nan 8.190 nan 0.000 0.451 293 L N 0.485 121.704 121.223 -0.006 0.000 2.042 293 L HA -0.187 4.085 4.340 -0.114 0.000 0.210 293 L C 2.078 178.938 176.870 -0.017 0.000 1.076 293 L CA 2.114 56.947 54.840 -0.011 0.000 0.749 293 L CB -0.922 41.130 42.059 -0.012 0.000 0.893 293 L HN 0.305 nan 8.230 nan 0.000 0.432 294 D N -0.516 119.874 120.400 -0.017 0.000 2.117 294 D HA -0.243 4.329 4.640 -0.114 0.000 0.197 294 D C 2.055 178.338 176.300 -0.028 0.000 0.987 294 D CA 1.504 55.490 54.000 -0.023 0.000 0.829 294 D CB -0.032 40.756 40.800 -0.020 0.000 0.961 294 D HN 0.604 nan 8.370 nan 0.000 0.460 295 E N 0.006 120.194 120.200 -0.021 0.000 2.077 295 E HA -0.171 4.111 4.350 -0.114 0.000 0.193 295 E C 1.942 178.529 176.600 -0.022 0.000 0.989 295 E CA 1.292 57.679 56.400 -0.021 0.000 0.800 295 E CB -0.041 29.652 29.700 -0.010 0.000 0.746 295 E HN 0.191 nan 8.360 nan 0.000 0.452 296 C N 0.053 119.344 119.300 -0.014 0.000 2.429 296 C HA -0.080 4.312 4.460 -0.114 0.000 0.277 296 C C 2.665 177.628 174.990 -0.045 0.000 1.262 296 C CA 0.581 59.593 59.018 -0.010 0.000 1.733 296 C CB -0.739 27.000 27.740 -0.000 0.000 2.010 296 C HN 0.364 nan 8.230 nan 0.000 0.483 297 V N 0.881 120.762 119.914 -0.054 0.000 2.343 297 V HA -0.207 3.845 4.120 -0.114 0.000 0.247 297 V C 2.608 178.640 176.094 -0.105 0.000 1.051 297 V CA 2.162 64.415 62.300 -0.079 0.000 1.036 297 V CB -0.740 31.050 31.823 -0.056 0.000 0.654 297 V HN 0.509 nan 8.190 nan 0.000 0.451 298 R N 0.574 121.024 120.500 -0.084 0.000 2.081 298 R HA -0.156 4.116 4.340 -0.114 0.000 0.235 298 R C 2.134 178.361 176.300 -0.121 0.000 1.131 298 R CA 2.120 58.160 56.100 -0.099 0.000 0.960 298 R CB -0.418 29.836 30.300 -0.076 0.000 0.856 298 R HN 0.659 nan 8.270 nan 0.000 0.436 299 N N -0.183 118.464 118.700 -0.089 0.000 2.149 299 N HA -0.180 4.492 4.740 -0.114 0.000 0.188 299 N C 1.700 177.150 175.510 -0.100 0.000 1.019 299 N CA 1.595 54.606 53.050 -0.065 0.000 0.857 299 N CB -0.104 38.394 38.487 0.019 0.000 0.997 299 N HN 0.252 nan 8.380 nan 0.000 0.426 300 I N 0.771 121.204 120.570 -0.229 0.000 2.193 300 I HA -0.208 3.894 4.170 -0.114 0.000 0.240 300 I C 1.989 177.815 176.117 -0.484 0.000 1.084 300 I CA 0.892 61.859 61.300 -0.553 0.000 1.365 300 I CB -0.201 37.459 38.000 -0.566 0.000 1.064 300 I HN 0.115 nan 8.210 nan 0.000 0.410 301 L N 1.153 122.174 121.223 -0.336 0.000 2.093 301 L HA -0.187 4.085 4.340 -0.114 0.000 0.208 301 L C 2.645 179.300 176.870 -0.358 0.000 1.085 301 L CA 1.353 55.994 54.840 -0.331 0.000 0.755 301 L CB -0.775 41.153 42.059 -0.218 0.000 0.904 301 L HN 0.337 nan 8.230 nan 0.000 0.435 302 K N -0.075 120.154 120.400 -0.285 0.000 2.211 302 K HA -0.119 4.133 4.320 -0.114 0.000 0.204 302 K C 1.748 178.134 176.600 -0.356 0.000 1.047 302 K CA 1.402 57.523 56.287 -0.278 0.000 0.935 302 K CB -0.345 32.028 32.500 -0.213 0.000 0.728 302 K HN 0.129 nan 8.250 nan 0.000 0.452 303 V N 1.696 121.382 119.914 -0.381 0.000 2.374 303 V HA -0.083 3.969 4.120 -0.114 0.000 0.241 303 V C 2.210 177.869 176.094 -0.724 0.000 1.034 303 V CA 0.999 62.981 62.300 -0.530 0.000 1.037 303 V CB -0.235 31.459 31.823 -0.214 0.000 0.682 303 V HN 0.260 nan 8.190 nan 0.000 0.463 304 L N 1.025 121.866 121.223 -0.635 0.000 2.478 304 L HA -0.031 4.241 4.340 -0.114 0.000 0.223 304 L C 2.358 178.877 176.870 -0.586 0.000 1.140 304 L CA 0.734 55.120 54.840 -0.757 0.000 0.842 304 L CB -0.537 40.759 42.059 -1.272 0.000 0.953 304 L HN 0.435 nan 8.230 nan 0.000 0.452 305 V N -3.247 116.289 119.914 -0.630 0.000 2.867 305 V HA -0.157 3.895 4.120 -0.114 0.000 0.260 305 V C 1.679 177.529 176.094 -0.408 0.000 1.099 305 V CA 1.574 63.334 62.300 -0.901 0.000 1.122 305 V CB -0.762 30.480 31.823 -0.968 0.000 0.708 305 V HN 0.489 nan 8.190 nan 0.000 0.490 306 N N 1.167 119.661 118.700 -0.343 0.000 2.353 306 N HA 0.306 4.977 4.740 -0.114 0.000 0.185 306 N C 0.866 176.423 175.510 0.078 0.000 1.098 306 N CA 0.824 53.773 53.050 -0.169 0.000 0.872 306 N CB 0.330 38.610 38.487 -0.344 0.000 0.970 306 N HN 0.680 nan 8.380 nan 0.000 0.467 307 A N 1.725 124.628 122.820 0.138 0.000 2.386 307 A HA 0.292 4.544 4.320 -0.114 0.000 0.248 307 A C -1.178 176.671 177.584 0.442 0.000 1.082 307 A CA -0.921 51.399 52.037 0.472 0.000 0.789 307 A CB 0.340 19.649 19.000 0.515 0.000 1.025 307 A HN -0.066 nan 8.150 nan 0.000 0.490 308 P HA -0.128 nan 4.420 nan 0.000 0.216 308 P C 1.648 179.171 177.300 0.373 0.000 1.153 308 P CA 1.911 65.182 63.100 0.286 0.000 0.858 308 P CB 0.112 31.932 31.700 0.200 0.000 0.789 309 S N -1.487 114.448 115.700 0.392 0.000 2.400 309 S HA -0.175 4.227 4.470 -0.114 0.000 0.232 309 S C 1.562 176.287 174.600 0.209 0.000 1.025 309 S CA 0.930 59.287 58.200 0.261 0.000 0.993 309 S CB -1.172 62.101 63.200 0.122 0.000 0.808 309 S HN 0.172 nan 8.310 nan 0.000 0.478 310 F N 1.750 121.863 119.950 0.271 0.000 2.293 310 F HA 0.025 4.485 4.527 -0.113 0.000 0.300 310 F C 1.546 177.430 175.800 0.141 0.000 1.086 310 F CA 1.004 59.133 58.000 0.215 0.000 1.375 310 F CB 0.099 39.298 39.000 0.332 0.000 1.045 310 F HN 0.013 nan 8.300 nan 0.000 0.516 311 K N 0.495 121.000 120.400 0.175 0.000 2.498 311 K HA 0.094 4.346 4.320 -0.114 0.000 0.207 311 K C -0.156 176.497 176.600 0.088 0.000 1.033 311 K CA 0.045 56.378 56.287 0.076 0.000 1.138 311 K CB -0.017 32.589 32.500 0.178 0.000 0.860 311 K HN 0.107 nan 8.250 nan 0.000 0.490 312 N N 0.796 119.541 118.700 0.076 0.000 2.725 312 N HA -0.268 4.404 4.740 -0.114 0.000 0.249 312 N C -0.587 175.005 175.510 0.136 0.000 1.103 312 N CA 0.752 53.844 53.050 0.069 0.000 0.707 312 N CB -2.145 36.335 38.487 -0.011 0.000 1.043 312 N HN 0.443 nan 8.380 nan 0.000 0.553 313 Y N 1.340 121.706 120.300 0.110 0.000 2.805 313 Y HA -0.086 4.396 4.550 -0.113 0.000 0.331 313 Y C 1.266 177.235 175.900 0.115 0.000 1.241 313 Y CA -0.070 58.107 58.100 0.127 0.000 1.546 313 Y CB 0.465 39.034 38.460 0.181 0.000 1.248 313 Y HN 0.089 nan 8.280 nan 0.000 0.559 314 R N 8.281 128.472 120.500 -0.515 0.000 2.429 314 R HA 0.084 4.356 4.340 -0.114 0.000 0.302 314 R C -1.159 174.678 176.300 -0.771 0.000 1.268 314 R CA -0.426 55.340 56.100 -0.557 0.000 1.090 314 R CB -0.498 29.576 30.300 -0.376 0.000 1.102 314 R HN 0.723 nan 8.270 nan 0.000 0.522 315 Y N 0.920 120.972 120.300 -0.414 0.000 2.379 315 Y HA 0.104 4.586 4.550 -0.113 0.000 0.337 315 Y C 1.245 177.084 175.900 -0.101 0.000 1.238 315 Y CA -0.223 57.763 58.100 -0.190 0.000 1.405 315 Y CB 0.765 39.289 38.460 0.107 0.000 1.310 315 Y HN 0.415 nan 8.280 nan 0.000 0.569 316 S N -0.336 115.416 115.700 0.087 0.000 2.478 316 S HA -0.020 4.382 4.470 -0.114 0.000 0.222 316 S C 0.543 175.189 174.600 0.075 0.000 1.008 316 S CA 0.314 58.523 58.200 0.015 0.000 0.928 316 S CB -0.853 62.348 63.200 0.000 0.000 0.781 316 S HN 0.989 nan 8.310 nan 0.000 0.518 317 N N 0.480 119.290 118.700 0.182 0.000 2.713 317 N HA -0.162 4.510 4.740 -0.114 0.000 0.251 317 N C -0.768 174.730 175.510 -0.020 0.000 1.117 317 N CA 1.051 54.230 53.050 0.215 0.000 0.770 317 N CB -0.847 37.899 38.487 0.431 0.000 1.137 317 N HN 0.480 nan 8.380 nan 0.000 0.566 318 K N 0.000 120.328 120.400 -0.121 0.000 2.992 318 K HA 0.217 4.469 4.320 -0.114 0.000 0.178 318 K C -2.530 173.991 176.600 -0.131 0.000 1.122 318 K CA -1.156 55.066 56.287 -0.109 0.000 0.926 318 K CB 1.405 33.881 32.500 -0.041 0.000 1.121 318 K HN 0.051 nan 8.250 nan 0.000 0.610 319 P HA -0.023 nan 4.420 nan 0.000 0.271 319 P C -0.532 176.681 177.300 -0.145 0.000 1.233 319 P CA -0.197 62.829 63.100 -0.124 0.000 0.789 319 P CB 0.691 32.346 31.700 -0.074 0.000 0.951 320 D N 1.127 121.365 120.400 -0.270 0.000 2.470 320 D HA 0.077 4.649 4.640 -0.114 0.000 0.226 320 D C 1.217 177.211 176.300 -0.511 0.000 1.196 320 D CA 0.000 53.799 54.000 -0.335 0.000 0.979 320 D CB -0.383 40.241 40.800 -0.294 0.000 1.059 320 D HN 0.208 nan 8.370 nan 0.000 0.515 321 L N 2.161 123.259 121.223 -0.208 0.000 2.141 321 L HA -0.124 4.148 4.340 -0.114 0.000 0.209 321 L C 2.000 178.837 176.870 -0.055 0.000 1.094 321 L CA 0.804 55.594 54.840 -0.083 0.000 0.763 321 L CB -0.034 42.045 42.059 0.034 0.000 0.908 321 L HN 0.244 nan 8.230 nan 0.000 0.437 322 E N 0.259 120.427 120.200 -0.053 0.000 2.072 322 E HA -0.223 4.059 4.350 -0.114 0.000 0.191 322 E C 2.123 178.718 176.600 -0.008 0.000 0.985 322 E CA 1.073 57.467 56.400 -0.009 0.000 0.801 322 E CB -0.031 29.663 29.700 -0.010 0.000 0.750 322 E HN 0.238 nan 8.360 nan 0.000 0.452 323 K N -0.211 120.157 120.400 -0.054 0.000 2.057 323 K HA -0.181 4.071 4.320 -0.114 0.000 0.207 323 K C 1.815 178.495 176.600 0.134 0.000 1.049 323 K CA 1.616 57.908 56.287 0.009 0.000 0.931 323 K CB -0.170 32.315 32.500 -0.025 0.000 0.714 323 K HN 0.372 nan 8.250 nan 0.000 0.440 324 H N -0.974 118.140 119.070 0.072 0.000 2.457 324 H HA -0.019 4.469 4.556 -0.113 0.000 0.294 324 H C 1.958 177.284 175.328 -0.004 0.000 1.064 324 H CA 0.402 56.510 56.048 0.099 0.000 1.330 324 H CB 0.128 29.971 29.762 0.136 0.000 1.395 324 H HN 0.352 nan 8.280 nan 0.000 0.541 325 A N 1.450 124.320 122.820 0.083 0.000 1.930 325 A HA -0.160 4.092 4.320 -0.114 0.000 0.217 325 A C 2.151 179.788 177.584 0.088 0.000 1.175 325 A CA 1.218 53.269 52.037 0.023 0.000 0.627 325 A CB -0.229 18.813 19.000 0.071 0.000 0.815 325 A HN 0.258 nan 8.150 nan 0.000 0.443 326 K N -0.409 120.053 120.400 0.103 0.000 2.057 326 K HA -0.088 4.164 4.320 -0.114 0.000 0.207 326 K C 1.879 178.598 176.600 0.198 0.000 1.049 326 K CA 1.476 57.833 56.287 0.117 0.000 0.931 326 K CB -0.302 32.241 32.500 0.072 0.000 0.714 326 K HN 0.313 nan 8.250 nan 0.000 0.440 327 V N 1.131 121.171 119.914 0.209 0.000 2.343 327 V HA -0.264 3.787 4.120 -0.114 0.000 0.247 327 V C 2.307 178.583 176.094 0.303 0.000 1.051 327 V CA 2.035 64.495 62.300 0.268 0.000 1.036 327 V CB -0.659 31.364 31.823 0.334 0.000 0.654 327 V HN 0.372 nan 8.190 nan 0.000 0.451 328 A N -0.921 122.010 122.820 0.186 0.000 1.933 328 A HA -0.266 3.986 4.320 -0.114 0.000 0.218 328 A C 2.164 179.840 177.584 0.152 0.000 1.175 328 A CA 2.053 54.137 52.037 0.078 0.000 0.628 328 A CB -0.744 18.029 19.000 -0.379 0.000 0.814 328 A HN 0.686 nan 8.150 nan 0.000 0.444 329 Y N 0.452 120.784 120.300 0.054 0.000 2.200 329 Y HA -0.168 4.314 4.550 -0.113 0.000 0.290 329 Y C 2.339 178.287 175.900 0.080 0.000 1.137 329 Y CA 1.988 60.125 58.100 0.063 0.000 1.163 329 Y CB -0.005 38.488 38.460 0.054 0.000 0.988 329 Y HN 0.274 nan 8.280 nan 0.000 0.518 330 E N 0.647 121.030 120.200 0.304 0.000 2.077 330 E HA -0.211 4.070 4.350 -0.114 0.000 0.193 330 E C 2.408 179.054 176.600 0.078 0.000 0.989 330 E CA 1.167 57.682 56.400 0.191 0.000 0.800 330 E CB -0.713 29.115 29.700 0.214 0.000 0.746 330 E HN 0.607 nan 8.360 nan 0.000 0.452 331 A N 0.928 123.821 122.820 0.122 0.000 1.902 331 A HA -0.099 4.153 4.320 -0.114 0.000 0.217 331 A C 2.491 180.110 177.584 0.057 0.000 1.181 331 A CA 2.032 54.135 52.037 0.110 0.000 0.623 331 A CB -1.058 18.055 19.000 0.188 0.000 0.818 331 A HN 0.344 nan 8.150 nan 0.000 0.443 332 G N -0.640 108.170 108.800 0.018 0.000 2.402 332 G HA2 0.037 3.929 3.960 -0.114 0.000 0.216 332 G HA3 0.037 3.929 3.960 -0.114 0.000 0.216 332 G C 1.732 176.581 174.900 -0.085 0.000 1.162 332 G CA 1.347 46.435 45.100 -0.021 0.000 0.777 332 G HN 0.803 nan 8.290 nan 0.000 0.539 333 A N 0.804 123.501 122.820 -0.205 0.000 1.940 333 A HA -0.036 4.216 4.320 -0.114 0.000 0.219 333 A C 2.089 179.630 177.584 -0.071 0.000 1.176 333 A CA 1.759 53.671 52.037 -0.208 0.000 0.631 333 A CB -0.269 18.572 19.000 -0.266 0.000 0.814 333 A HN 0.454 nan 8.150 nan 0.000 0.446 334 E N -1.198 118.990 120.200 -0.019 0.000 2.479 334 E HA 0.069 4.351 4.350 -0.114 0.000 0.193 334 E C 1.582 178.212 176.600 0.050 0.000 1.049 334 E CA 0.364 56.772 56.400 0.015 0.000 0.870 334 E CB 0.115 29.835 29.700 0.032 0.000 0.944 334 E HN 0.608 nan 8.360 nan 0.000 0.492 335 G N 0.796 109.639 108.800 0.071 0.000 2.850 335 G HA2 0.041 3.932 3.960 -0.114 0.000 0.211 335 G HA3 0.041 3.932 3.960 -0.114 0.000 0.211 335 G C 0.753 175.800 174.900 0.245 0.000 1.124 335 G CA -0.229 44.961 45.100 0.151 0.000 0.769 335 G HN -0.029 nan 8.290 nan 0.000 0.535 336 V N 1.581 121.574 119.914 0.132 0.000 2.694 336 V HA 0.139 4.191 4.120 -0.114 0.000 0.306 336 V C 0.140 176.240 176.094 0.010 0.000 1.054 336 V CA 0.130 62.471 62.300 0.069 0.000 1.161 336 V CB 1.429 33.240 31.823 -0.020 0.000 0.916 336 V HN -0.008 nan 8.190 nan 0.000 0.490 337 V N 6.474 126.349 119.914 -0.065 0.000 2.357 337 V HA 0.306 4.358 4.120 -0.114 0.000 0.284 337 V C -0.150 175.812 176.094 -0.220 0.000 1.018 337 V CA -0.656 61.565 62.300 -0.131 0.000 0.841 337 V CB 1.499 33.255 31.823 -0.111 0.000 0.991 337 V HN 0.653 nan 8.190 nan 0.000 0.437 338 L N 5.933 127.018 121.223 -0.231 0.000 2.325 338 L HA 0.335 4.607 4.340 -0.114 0.000 0.284 338 L C 0.696 177.404 176.870 -0.270 0.000 1.089 338 L CA 0.716 55.425 54.840 -0.219 0.000 0.836 338 L CB 0.406 42.338 42.059 -0.212 0.000 1.184 338 L HN 0.613 nan 8.230 nan 0.000 0.444 339 L N 4.109 125.172 121.223 -0.267 0.000 2.354 339 L HA 0.295 4.567 4.340 -0.114 0.000 0.212 339 L C 0.834 177.623 176.870 -0.134 0.000 1.091 339 L CA 0.108 54.735 54.840 -0.356 0.000 0.828 339 L CB -0.049 41.581 42.059 -0.716 0.000 0.973 339 L HN 0.622 nan 8.230 nan 0.000 0.461 340 R N 0.166 120.633 120.500 -0.055 0.000 2.561 340 R HA 0.288 4.560 4.340 -0.114 0.000 0.266 340 R C -1.614 174.716 176.300 0.050 0.000 1.091 340 R CA -0.437 55.688 56.100 0.042 0.000 0.927 340 R CB 1.312 31.652 30.300 0.067 0.000 1.240 340 R HN -0.158 nan 8.270 nan 0.000 0.449 341 N N 2.646 121.384 118.700 0.065 0.000 2.751 341 N HA 0.087 4.759 4.740 -0.114 0.000 0.238 341 N C -1.599 173.945 175.510 0.056 0.000 1.351 341 N CA -0.330 52.763 53.050 0.071 0.000 0.751 341 N CB 1.192 39.740 38.487 0.102 0.000 1.342 341 N HN 0.521 nan 8.380 nan 0.000 0.540 342 E N 2.024 122.254 120.200 0.050 0.000 1.932 342 E HA 0.107 4.388 4.350 -0.114 0.000 0.259 342 E C -0.362 176.251 176.600 0.023 0.000 1.099 342 E CA -0.084 56.336 56.400 0.034 0.000 0.970 342 E CB -0.129 29.591 29.700 0.033 0.000 1.143 342 E HN 0.526 nan 8.360 nan 0.000 0.441 343 E N 0.503 120.711 120.200 0.013 0.000 2.269 343 E HA -0.290 3.992 4.350 -0.114 0.000 0.223 343 E C 0.414 177.014 176.600 -0.001 0.000 1.244 343 E CA 0.569 56.968 56.400 -0.003 0.000 0.713 343 E CB -0.982 28.714 29.700 -0.007 0.000 1.178 343 E HN 0.538 nan 8.360 nan 0.000 0.370 344 A N -0.299 122.524 122.820 0.005 0.000 2.138 344 A HA 0.389 4.641 4.320 -0.114 0.000 0.203 344 A C 0.539 178.110 177.584 -0.021 0.000 1.286 344 A CA 0.156 52.201 52.037 0.013 0.000 0.929 344 A CB 0.829 19.856 19.000 0.046 0.000 0.975 344 A HN 0.145 nan 8.150 nan 0.000 0.480 345 L N 0.811 122.000 121.223 -0.056 0.000 2.388 345 L HA 0.475 4.747 4.340 -0.114 0.000 0.264 345 L C -2.708 173.859 176.870 -0.505 0.000 0.998 345 L CA -2.346 52.393 54.840 -0.169 0.000 0.817 345 L CB 2.589 44.669 42.059 0.034 0.000 1.338 345 L HN -0.005 nan 8.230 nan 0.000 0.414 346 P HA 0.261 nan 4.420 nan 0.000 0.278 346 P C -0.846 176.336 177.300 -0.196 0.000 1.266 346 P CA -0.542 62.286 63.100 -0.454 0.000 0.807 346 P CB 0.635 32.056 31.700 -0.465 0.000 1.094 347 L N 0.439 121.606 121.223 -0.093 0.000 2.453 347 L HA 0.104 4.376 4.340 -0.114 0.000 0.272 347 L C 1.047 177.892 176.870 -0.042 0.000 1.182 347 L CA -0.060 54.754 54.840 -0.043 0.000 0.858 347 L CB -0.145 41.910 42.059 -0.007 0.000 1.120 347 L HN 0.390 nan 8.230 nan 0.000 0.474 348 S N 1.526 117.209 115.700 -0.028 0.000 2.569 348 S HA -0.016 4.385 4.470 -0.114 0.000 0.274 348 S C 0.159 174.755 174.600 -0.007 0.000 1.353 348 S CA -0.431 57.756 58.200 -0.021 0.000 1.023 348 S CB 0.470 63.663 63.200 -0.011 0.000 0.876 348 S HN 0.536 nan 8.310 nan 0.000 0.540 349 E N 1.077 121.273 120.200 -0.006 0.000 2.392 349 E HA 0.027 4.309 4.350 -0.114 0.000 0.264 349 E C 0.109 176.713 176.600 0.008 0.000 1.024 349 E CA -0.070 56.332 56.400 0.003 0.000 0.903 349 E CB 0.166 29.867 29.700 0.002 0.000 0.963 349 E HN 0.598 nan 8.360 nan 0.000 0.432 350 N N 0.977 119.686 118.700 0.015 0.000 2.863 350 N HA -0.204 4.468 4.740 -0.114 0.000 0.245 350 N C -0.580 174.941 175.510 0.019 0.000 1.001 350 N CA 0.993 54.052 53.050 0.016 0.000 0.901 350 N CB -1.418 37.073 38.487 0.007 0.000 1.124 350 N HN 0.286 nan 8.380 nan 0.000 0.582 351 S N 0.814 116.529 115.700 0.023 0.000 2.544 351 S HA 0.055 4.457 4.470 -0.114 0.000 0.290 351 S C 0.387 175.013 174.600 0.044 0.000 1.276 351 S CA 0.065 58.285 58.200 0.032 0.000 1.075 351 S CB 0.373 63.592 63.200 0.032 0.000 0.849 351 S HN 0.064 nan 8.310 nan 0.000 0.494 352 K N 4.812 125.240 120.400 0.046 0.000 2.349 352 K HA 0.279 4.531 4.320 -0.114 0.000 0.289 352 K C -0.469 176.180 176.600 0.082 0.000 1.064 352 K CA 0.157 56.474 56.287 0.050 0.000 0.947 352 K CB 0.405 32.924 32.500 0.032 0.000 1.007 352 K HN 0.536 nan 8.250 nan 0.000 0.478 353 I N 2.566 123.191 120.570 0.091 0.000 2.331 353 I HA 0.177 4.279 4.170 -0.114 0.000 0.292 353 I C 0.165 176.323 176.117 0.068 0.000 0.998 353 I CA -0.661 60.689 61.300 0.084 0.000 1.267 353 I CB 1.564 39.610 38.000 0.077 0.000 1.386 353 I HN 0.608 nan 8.210 nan 0.000 0.476 354 A N 7.532 130.372 122.820 0.034 0.000 2.316 354 A HA 0.495 4.747 4.320 -0.114 0.000 0.311 354 A C -0.665 176.725 177.584 -0.324 0.000 1.339 354 A CA -0.393 51.576 52.037 -0.114 0.000 0.960 354 A CB 0.277 19.312 19.000 0.058 0.000 1.152 354 A HN 0.587 nan 8.150 nan 0.000 0.547 355 L N 3.777 124.784 121.223 -0.361 0.000 2.265 355 L HA 0.669 4.940 4.340 -0.114 0.000 0.288 355 L C -1.006 175.504 176.870 -0.599 0.000 1.058 355 L CA 0.010 54.638 54.840 -0.353 0.000 0.809 355 L CB -0.153 41.752 42.059 -0.258 0.000 1.179 355 L HN 0.575 nan 8.230 nan 0.000 0.429 356 F N 2.888 122.699 119.950 -0.232 0.000 2.541 356 F HA 0.806 5.264 4.527 -0.114 0.000 0.331 356 F C 0.888 176.509 175.800 -0.299 0.000 1.057 356 F CA -0.111 57.752 58.000 -0.228 0.000 0.975 356 F CB 1.903 40.847 39.000 -0.093 0.000 1.246 356 F HN 0.680 nan 8.300 nan 0.000 0.484 357 G N 0.475 109.318 108.800 0.071 0.000 2.879 357 G HA2 -0.118 3.774 3.960 -0.114 0.000 0.686 357 G HA3 -0.118 3.774 3.960 -0.114 0.000 0.686 357 G C 0.399 175.298 174.900 -0.002 0.000 1.115 357 G CA -0.371 44.785 45.100 0.092 0.000 0.770 357 G HN 1.084 nan 8.290 nan 0.000 0.601 358 T N -0.507 114.186 114.554 0.232 0.000 3.007 358 T HA 0.121 4.403 4.350 -0.114 0.000 0.270 358 T C 2.524 177.258 174.700 0.057 0.000 1.107 358 T CA 1.738 63.969 62.100 0.219 0.000 1.118 358 T CB -0.032 68.996 68.868 0.265 0.000 0.889 358 T HN 1.887 nan 8.240 nan 0.000 0.506 359 G N 1.893 110.702 108.800 0.015 0.000 2.535 359 G HA2 -0.195 3.696 3.960 -0.114 0.000 0.218 359 G HA3 -0.195 3.696 3.960 -0.114 0.000 0.218 359 G C 1.551 176.421 174.900 -0.051 0.000 1.122 359 G CA 0.719 45.809 45.100 -0.016 0.000 0.769 359 G HN 0.805 nan 8.290 nan 0.000 0.549 360 Q N -0.590 119.150 119.800 -0.101 0.000 2.224 360 Q HA 0.078 4.350 4.340 -0.114 0.000 0.203 360 Q C 2.082 178.020 176.000 -0.103 0.000 0.970 360 Q CA 1.053 56.773 55.803 -0.139 0.000 0.865 360 Q CB -0.191 28.399 28.738 -0.247 0.000 0.922 360 Q HN 0.519 nan 8.270 nan 0.000 0.445 361 I N 0.224 120.757 120.570 -0.062 0.000 3.194 361 I HA 0.006 4.108 4.170 -0.114 0.000 0.271 361 I C 0.656 176.768 176.117 -0.009 0.000 1.150 361 I CA 0.008 61.292 61.300 -0.027 0.000 1.440 361 I CB 0.573 38.580 38.000 0.011 0.000 1.276 361 I HN 0.087 nan 8.210 nan 0.000 0.457 362 E N 2.153 122.355 120.200 0.002 0.000 2.325 362 E HA 0.126 4.408 4.350 -0.114 0.000 0.295 362 E C -0.502 176.095 176.600 -0.005 0.000 1.461 362 E CA -0.122 56.280 56.400 0.004 0.000 1.698 362 E CB -0.010 29.698 29.700 0.013 0.000 1.496 362 E HN 0.204 nan 8.360 nan 0.000 0.474 363 T N 2.053 116.601 114.554 -0.011 0.000 2.870 363 T HA 0.099 4.381 4.350 -0.114 0.000 0.300 363 T C 0.526 175.221 174.700 -0.009 0.000 0.989 363 T CA -0.203 61.889 62.100 -0.012 0.000 1.139 363 T CB 0.611 69.471 68.868 -0.013 0.000 0.920 363 T HN 0.160 nan 8.240 nan 0.000 0.537 364 I N 4.646 125.210 120.570 -0.010 0.000 2.322 364 I HA 0.178 4.280 4.170 -0.114 0.000 0.292 364 I C 1.398 177.508 176.117 -0.013 0.000 1.060 364 I CA -0.381 60.906 61.300 -0.022 0.000 1.309 364 I CB 0.884 38.864 38.000 -0.034 0.000 1.415 364 I HN 0.795 nan 8.210 nan 0.000 0.492 365 K N 4.638 125.026 120.400 -0.020 0.000 2.361 365 K HA 0.380 4.632 4.320 -0.114 0.000 0.196 365 K C 0.660 177.250 176.600 -0.017 0.000 1.039 365 K CA 0.252 56.536 56.287 -0.005 0.000 1.001 365 K CB 0.506 33.003 32.500 -0.004 0.000 0.795 365 K HN 0.699 nan 8.250 nan 0.000 0.495 366 G N -0.439 108.314 108.800 -0.080 0.000 2.328 366 G HA2 0.384 4.276 3.960 -0.114 0.000 0.295 366 G HA3 0.384 4.276 3.960 -0.114 0.000 0.295 366 G C -1.024 173.643 174.900 -0.388 0.000 1.413 366 G CA -0.698 44.304 45.100 -0.163 0.000 0.817 366 G HN 0.206 nan 8.290 nan 0.000 0.546 367 G N -1.099 107.144 108.800 -0.928 0.000 2.588 367 G HA2 0.689 4.580 3.960 -0.114 0.000 0.281 367 G HA3 0.689 4.580 3.960 -0.114 0.000 0.281 367 G C 0.574 175.174 174.900 -0.500 0.000 1.236 367 G CA 0.702 45.068 45.100 -1.223 0.000 0.969 367 G HN 1.477 nan 8.290 nan 0.000 0.504 368 T N -3.156 111.247 114.554 -0.252 0.000 2.912 368 T HA 0.770 5.051 4.350 -0.114 0.000 0.280 368 T C 0.714 175.494 174.700 0.133 0.000 0.989 368 T CA 0.535 62.622 62.100 -0.021 0.000 0.995 368 T CB 1.402 70.265 68.868 -0.009 0.000 1.077 368 T HN 2.343 nan 8.240 nan 0.000 0.531 369 G N 0.743 109.620 108.800 0.128 0.000 2.384 369 G HA2 -0.079 3.813 3.960 -0.114 0.000 0.204 369 G HA3 -0.079 3.813 3.960 -0.114 0.000 0.204 369 G C 0.861 175.824 174.900 0.105 0.000 1.237 369 G CA 0.614 45.803 45.100 0.148 0.000 1.060 369 G HN 1.766 nan 8.290 nan 0.000 0.514 370 S N -0.529 115.222 115.700 0.084 0.000 2.442 370 S HA 0.189 4.591 4.470 -0.114 0.000 0.236 370 S C 2.135 176.742 174.600 0.012 0.000 1.007 370 S CA 1.931 60.144 58.200 0.021 0.000 0.965 370 S CB -0.176 63.004 63.200 -0.033 0.000 0.773 370 S HN 2.140 nan 8.310 nan 0.000 0.504 371 G N 0.715 109.553 108.800 0.062 0.000 3.314 371 G HA2 0.186 4.078 3.960 -0.114 0.000 0.238 371 G HA3 0.186 4.078 3.960 -0.114 0.000 0.238 371 G C -0.030 174.922 174.900 0.087 0.000 1.184 371 G CA -0.264 44.873 45.100 0.061 0.000 0.806 371 G HN 0.437 nan 8.290 nan 0.000 0.536 372 D N 0.799 121.218 120.400 0.032 0.000 2.398 372 D HA 0.511 5.083 4.640 -0.114 0.000 0.247 372 D C 0.664 176.864 176.300 -0.167 0.000 1.227 372 D CA 0.209 54.182 54.000 -0.046 0.000 0.980 372 D CB 1.343 42.114 40.800 -0.048 0.000 1.106 372 D HN 0.169 nan 8.370 nan 0.000 0.493 373 T N -2.321 112.079 114.554 -0.257 0.000 2.843 373 T HA 0.541 4.822 4.350 -0.114 0.000 0.302 373 T C -0.976 173.456 174.700 -0.447 0.000 1.232 373 T CA -0.843 61.043 62.100 -0.356 0.000 1.009 373 T CB 1.002 69.808 68.868 -0.103 0.000 1.254 373 T HN 0.430 nan 8.240 nan 0.000 0.504 374 H N 1.114 120.224 119.070 0.067 0.000 2.348 374 H HA 0.446 4.934 4.556 -0.113 0.000 0.232 374 H C -2.569 172.854 175.328 0.159 0.000 1.419 374 H CA -1.638 54.470 56.048 0.100 0.000 1.416 374 H CB 0.567 30.390 29.762 0.101 0.000 1.510 374 H HN 0.423 nan 8.280 nan 0.000 0.507 375 P HA 0.052 nan 4.420 nan 0.000 0.276 375 P C 0.813 178.016 177.300 -0.161 0.000 1.252 375 P CA -0.528 62.557 63.100 -0.025 0.000 0.802 375 P CB 1.911 33.498 31.700 -0.188 0.000 1.035 376 R N 0.979 121.193 120.500 -0.476 0.000 2.096 376 R HA -0.110 4.162 4.340 -0.114 0.000 0.235 376 R C 0.327 176.433 176.300 -0.323 0.000 1.127 376 R CA 1.444 57.040 56.100 -0.840 0.000 0.968 376 R CB -0.228 29.638 30.300 -0.724 0.000 0.861 376 R HN 0.670 nan 8.270 nan 0.000 0.440 377 Y N -4.041 116.149 120.300 -0.182 0.000 2.615 377 Y HA 0.744 5.225 4.550 -0.113 0.000 0.341 377 Y C -1.447 174.418 175.900 -0.057 0.000 1.089 377 Y CA -1.408 56.629 58.100 -0.105 0.000 1.049 377 Y CB 1.424 39.828 38.460 -0.094 0.000 1.296 377 Y HN -0.105 nan 8.280 nan 0.000 0.470 378 A N 2.932 125.878 122.820 0.210 0.000 2.446 378 A HA 0.603 4.854 4.320 -0.114 0.000 0.282 378 A C -1.551 176.120 177.584 0.146 0.000 1.102 378 A CA -0.647 51.477 52.037 0.146 0.000 0.737 378 A CB 0.428 19.458 19.000 0.049 0.000 1.212 378 A HN 0.609 nan 8.150 nan 0.000 0.434 379 I N 3.552 124.223 120.570 0.169 0.000 2.406 379 I HA 0.123 4.225 4.170 -0.114 0.000 0.293 379 I C 1.325 177.460 176.117 0.031 0.000 1.101 379 I CA 0.343 61.686 61.300 0.073 0.000 1.334 379 I CB -0.102 37.931 38.000 0.056 0.000 1.421 379 I HN 0.757 nan 8.210 nan 0.000 0.513 380 S N 6.058 121.759 115.700 0.001 0.000 2.587 380 S HA 0.240 4.642 4.470 -0.114 0.000 0.260 380 S C 1.372 175.945 174.600 -0.045 0.000 1.353 380 S CA -0.476 57.712 58.200 -0.022 0.000 0.995 380 S CB 1.154 64.333 63.200 -0.035 0.000 0.912 380 S HN 0.496 nan 8.310 nan 0.000 0.568 381 I N 0.411 120.945 120.570 -0.060 0.000 2.226 381 I HA -0.149 3.953 4.170 -0.114 0.000 0.245 381 I C 2.410 178.443 176.117 -0.140 0.000 1.100 381 I CA 1.131 62.381 61.300 -0.083 0.000 1.374 381 I CB -0.441 37.508 38.000 -0.085 0.000 1.057 381 I HN 0.619 nan 8.210 nan 0.000 0.413 382 L N 0.856 121.976 121.223 -0.172 0.000 2.017 382 L HA -0.224 4.048 4.340 -0.114 0.000 0.208 382 L C 2.342 179.052 176.870 -0.268 0.000 1.073 382 L CA 1.926 56.603 54.840 -0.272 0.000 0.745 382 L CB -0.629 41.285 42.059 -0.243 0.000 0.894 382 L HN 0.196 nan 8.230 nan 0.000 0.432 383 E N -0.661 119.444 120.200 -0.159 0.000 2.085 383 E HA -0.187 4.095 4.350 -0.114 0.000 0.194 383 E C 2.071 178.605 176.600 -0.110 0.000 0.994 383 E CA 1.065 57.393 56.400 -0.120 0.000 0.801 383 E CB -0.570 29.086 29.700 -0.073 0.000 0.743 383 E HN 0.691 nan 8.360 nan 0.000 0.453 384 G N 1.093 109.838 108.800 -0.090 0.000 2.418 384 G HA2 -0.244 3.648 3.960 -0.114 0.000 0.217 384 G HA3 -0.244 3.648 3.960 -0.114 0.000 0.217 384 G C 1.590 176.447 174.900 -0.072 0.000 1.158 384 G CA 0.594 45.659 45.100 -0.057 0.000 0.771 384 G HN 0.129 nan 8.290 nan 0.000 0.545 385 I N 0.199 120.689 120.570 -0.134 0.000 2.252 385 I HA -0.136 3.966 4.170 -0.114 0.000 0.245 385 I C 2.832 178.868 176.117 -0.133 0.000 1.102 385 I CA 1.109 62.318 61.300 -0.152 0.000 1.385 385 I CB -0.106 37.738 38.000 -0.260 0.000 1.064 385 I HN 0.121 nan 8.210 nan 0.000 0.414 386 K N 0.444 120.719 120.400 -0.209 0.000 2.026 386 K HA -0.246 4.006 4.320 -0.114 0.000 0.208 386 K C 2.077 178.688 176.600 0.017 0.000 1.048 386 K CA 1.602 57.865 56.287 -0.040 0.000 0.929 386 K CB -0.210 32.257 32.500 -0.055 0.000 0.713 386 K HN 0.274 nan 8.250 nan 0.000 0.439 387 E N 0.619 120.803 120.200 -0.026 0.000 2.085 387 E HA -0.188 4.094 4.350 -0.114 0.000 0.194 387 E C 1.758 178.357 176.600 -0.002 0.000 0.994 387 E CA 1.094 57.482 56.400 -0.020 0.000 0.801 387 E CB 0.244 29.918 29.700 -0.043 0.000 0.743 387 E HN 0.100 nan 8.360 nan 0.000 0.453 388 R N -0.779 119.724 120.500 0.004 0.000 2.323 388 R HA 0.028 4.300 4.340 -0.114 0.000 0.198 388 R C 1.139 177.460 176.300 0.035 0.000 0.988 388 R CA 0.784 56.894 56.100 0.018 0.000 1.041 388 R CB 0.072 30.386 30.300 0.024 0.000 0.926 388 R HN 0.355 nan 8.270 nan 0.000 0.476 389 G N 1.686 110.519 108.800 0.054 0.000 2.198 389 G HA2 -0.267 3.625 3.960 -0.114 0.000 0.260 389 G HA3 -0.267 3.625 3.960 -0.114 0.000 0.260 389 G C 0.193 175.153 174.900 0.099 0.000 1.025 389 G CA 0.038 45.185 45.100 0.079 0.000 0.769 389 G HN 0.219 nan 8.290 nan 0.000 0.507 390 L N -0.242 121.053 121.223 0.120 0.000 2.467 390 L HA 0.203 4.475 4.340 -0.114 0.000 0.270 390 L C 0.397 177.396 176.870 0.216 0.000 1.205 390 L CA -0.574 54.344 54.840 0.130 0.000 0.828 390 L CB 0.272 42.390 42.059 0.098 0.000 1.101 390 L HN 0.053 nan 8.230 nan 0.000 0.479 391 N N 3.079 121.859 118.700 0.134 0.000 2.439 391 N HA 0.274 4.946 4.740 -0.114 0.000 0.243 391 N C -0.675 174.910 175.510 0.125 0.000 1.088 391 N CA 0.015 53.112 53.050 0.078 0.000 0.940 391 N CB 0.180 38.679 38.487 0.020 0.000 1.180 391 N HN 0.346 nan 8.380 nan 0.000 0.505 392 F N -1.308 118.631 119.950 -0.019 0.000 2.556 392 F HA 0.478 4.937 4.527 -0.113 0.000 0.327 392 F C 0.307 176.089 175.800 -0.029 0.000 1.059 392 F CA -1.464 56.517 58.000 -0.032 0.000 0.953 392 F CB 0.926 39.898 39.000 -0.047 0.000 1.227 392 F HN 0.006 nan 8.300 nan 0.000 0.478 393 D N 2.069 122.480 120.400 0.018 0.000 2.349 393 D HA 0.043 4.614 4.640 -0.114 0.000 0.266 393 D C 0.550 176.794 176.300 -0.094 0.000 1.293 393 D CA 0.370 54.328 54.000 -0.071 0.000 0.926 393 D CB 0.880 41.676 40.800 -0.007 0.000 1.090 393 D HN 0.689 nan 8.370 nan 0.000 0.502 394 E N 2.611 122.630 120.200 -0.302 0.000 2.152 394 E HA -0.145 4.137 4.350 -0.114 0.000 0.192 394 E C 1.465 178.054 176.600 -0.018 0.000 0.983 394 E CA 0.897 57.151 56.400 -0.244 0.000 0.818 394 E CB 0.100 29.610 29.700 -0.317 0.000 0.758 394 E HN 0.462 nan 8.360 nan 0.000 0.467 395 E N 0.413 120.599 120.200 -0.022 0.000 2.072 395 E HA -0.118 4.163 4.350 -0.114 0.000 0.191 395 E C 1.806 178.447 176.600 0.068 0.000 0.985 395 E CA 0.457 56.869 56.400 0.020 0.000 0.801 395 E CB -0.255 29.448 29.700 0.005 0.000 0.750 395 E HN 0.138 nan 8.360 nan 0.000 0.452 396 L N 0.501 121.767 121.223 0.072 0.000 2.046 396 L HA -0.061 4.211 4.340 -0.114 0.000 0.208 396 L C 2.043 179.052 176.870 0.231 0.000 1.077 396 L CA 2.040 56.951 54.840 0.118 0.000 0.747 396 L CB -0.894 41.183 42.059 0.029 0.000 0.896 396 L HN 0.119 nan 8.230 nan 0.000 0.432 397 A N -0.706 122.247 122.820 0.221 0.000 1.902 397 A HA -0.238 4.014 4.320 -0.114 0.000 0.217 397 A C 2.332 180.049 177.584 0.222 0.000 1.181 397 A CA 1.970 54.151 52.037 0.240 0.000 0.623 397 A CB -0.507 18.702 19.000 0.349 0.000 0.818 397 A HN 0.510 nan 8.150 nan 0.000 0.443 398 K N -1.022 119.485 120.400 0.178 0.000 2.097 398 K HA -0.079 4.173 4.320 -0.114 0.000 0.205 398 K C 2.092 178.776 176.600 0.140 0.000 1.050 398 K CA 1.596 57.964 56.287 0.135 0.000 0.938 398 K CB -0.354 32.202 32.500 0.093 0.000 0.718 398 K HN 0.453 nan 8.250 nan 0.000 0.442 399 T N 0.464 115.112 114.554 0.157 0.000 2.708 399 T HA -0.166 4.116 4.350 -0.114 0.000 0.266 399 T C 1.582 176.381 174.700 0.165 0.000 1.037 399 T CA 1.353 63.540 62.100 0.145 0.000 1.146 399 T CB -0.344 68.602 68.868 0.131 0.000 0.865 399 T HN 0.208 nan 8.240 nan 0.000 0.435 400 Y N 1.542 121.950 120.300 0.179 0.000 2.145 400 Y HA -0.120 4.362 4.550 -0.114 0.000 0.286 400 Y C 2.581 178.549 175.900 0.112 0.000 1.145 400 Y CA 1.365 59.577 58.100 0.186 0.000 1.148 400 Y CB -0.192 38.362 38.460 0.157 0.000 0.981 400 Y HN 0.329 nan 8.280 nan 0.000 0.507 401 E N -0.133 120.210 120.200 0.238 0.000 2.058 401 E HA -0.245 4.037 4.350 -0.114 0.000 0.194 401 E C 1.709 178.353 176.600 0.073 0.000 0.997 401 E CA 1.516 57.992 56.400 0.128 0.000 0.801 401 E CB -0.187 29.572 29.700 0.099 0.000 0.746 401 E HN 0.460 nan 8.360 nan 0.000 0.450 402 D N -0.126 120.318 120.400 0.073 0.000 2.123 402 D HA -0.178 4.393 4.640 -0.114 0.000 0.196 402 D C 1.718 178.012 176.300 -0.011 0.000 0.992 402 D CA 0.952 54.971 54.000 0.032 0.000 0.833 402 D CB -0.349 40.478 40.800 0.046 0.000 0.954 402 D HN 0.232 nan 8.370 nan 0.000 0.455 403 Y N 1.013 121.210 120.300 -0.171 0.000 2.242 403 Y HA -0.082 4.400 4.550 -0.114 0.000 0.291 403 Y C 2.090 177.815 175.900 -0.292 0.000 1.137 403 Y CA 1.101 58.990 58.100 -0.351 0.000 1.181 403 Y CB -0.235 37.746 38.460 -0.798 0.000 0.989 403 Y HN -0.092 nan 8.280 nan 0.000 0.527 404 I N 0.169 120.614 120.570 -0.209 0.000 2.202 404 I HA -0.288 3.814 4.170 -0.114 0.000 0.242 404 I C 2.323 178.315 176.117 -0.209 0.000 1.091 404 I CA 1.398 62.559 61.300 -0.232 0.000 1.368 404 I CB -0.395 37.589 38.000 -0.028 0.000 1.058 404 I HN 0.114 nan 8.210 nan 0.000 0.410 405 K N 0.985 121.312 120.400 -0.121 0.000 2.015 405 K HA -0.299 3.953 4.320 -0.114 0.000 0.216 405 K C 2.169 178.693 176.600 -0.126 0.000 1.052 405 K CA 1.945 58.178 56.287 -0.090 0.000 0.937 405 K CB -0.319 32.151 32.500 -0.049 0.000 0.719 405 K HN 0.197 nan 8.250 nan 0.000 0.446 406 K N 0.465 120.767 120.400 -0.163 0.000 2.020 406 K HA -0.189 4.063 4.320 -0.114 0.000 0.212 406 K C 2.204 178.676 176.600 -0.213 0.000 1.050 406 K CA 1.742 57.928 56.287 -0.169 0.000 0.929 406 K CB 0.023 32.415 32.500 -0.180 0.000 0.714 406 K HN 0.028 nan 8.250 nan 0.000 0.443 407 M N 0.642 120.012 119.600 -0.384 0.000 2.132 407 M HA -0.087 4.325 4.480 -0.114 0.000 0.263 407 M C 1.967 178.181 176.300 -0.142 0.000 1.065 407 M CA 1.390 56.464 55.300 -0.376 0.000 1.122 407 M CB -0.862 31.282 32.600 -0.760 0.000 1.365 407 M HN 0.119 nan 8.290 nan 0.000 0.411 408 R N 0.399 120.817 120.500 -0.135 0.000 2.235 408 R HA -0.034 4.238 4.340 -0.114 0.000 0.213 408 R C 1.863 178.151 176.300 -0.020 0.000 1.059 408 R CA 0.592 56.666 56.100 -0.044 0.000 0.997 408 R CB -0.533 29.738 30.300 -0.048 0.000 0.884 408 R HN 0.499 nan 8.270 nan 0.000 0.462 409 E N 0.602 120.779 120.200 -0.038 0.000 2.385 409 E HA -0.034 4.248 4.350 -0.114 0.000 0.194 409 E C -0.117 176.478 176.600 -0.008 0.000 1.013 409 E CA 0.247 56.633 56.400 -0.022 0.000 0.866 409 E CB 0.304 29.985 29.700 -0.031 0.000 0.832 409 E HN -0.055 nan 8.360 nan 0.000 0.500 410 T N 0.829 115.386 114.554 0.006 0.000 2.899 410 T HA 0.023 4.304 4.350 -0.114 0.000 0.295 410 T C 1.007 175.720 174.700 0.021 0.000 1.033 410 T CA -0.447 61.669 62.100 0.028 0.000 1.084 410 T CB 1.047 69.962 68.868 0.079 0.000 0.979 410 T HN 0.003 nan 8.240 nan 0.000 0.532 411 E N 1.921 122.118 120.200 -0.004 0.000 2.058 411 E HA -0.145 4.137 4.350 -0.114 0.000 0.194 411 E C 1.884 178.437 176.600 -0.079 0.000 0.997 411 E CA 1.358 57.739 56.400 -0.032 0.000 0.801 411 E CB -0.093 29.586 29.700 -0.034 0.000 0.746 411 E HN 0.816 nan 8.360 nan 0.000 0.450 412 E N -0.856 119.259 120.200 -0.141 0.000 2.204 412 E HA -0.158 4.124 4.350 -0.114 0.000 0.194 412 E C 0.730 177.012 176.600 -0.530 0.000 0.989 412 E CA 0.738 56.913 56.400 -0.374 0.000 0.824 412 E CB 0.126 29.499 29.700 -0.545 0.000 0.756 412 E HN 0.287 nan 8.360 nan 0.000 0.477 413 Y N 0.263 120.538 120.300 -0.042 0.000 2.500 413 Y HA 0.162 4.644 4.550 -0.114 0.000 0.246 413 Y C 0.064 175.934 175.900 -0.049 0.000 1.146 413 Y CA -0.522 57.548 58.100 -0.050 0.000 1.230 413 Y CB 0.420 38.834 38.460 -0.077 0.000 1.214 413 Y HN -0.126 nan 8.280 nan 0.000 0.526 414 K N 1.396 121.829 120.400 0.056 0.000 2.355 414 K HA 0.230 4.482 4.320 -0.114 0.000 0.270 414 K C -2.894 173.715 176.600 0.016 0.000 1.003 414 K CA -1.711 54.593 56.287 0.027 0.000 0.957 414 K CB 0.156 32.660 32.500 0.007 0.000 0.939 414 K HN -0.140 nan 8.250 nan 0.000 0.482 415 P HA 0.047 nan 4.420 nan 0.000 0.266 415 P C -0.850 176.453 177.300 0.004 0.000 1.215 415 P CA 0.081 63.187 63.100 0.009 0.000 0.763 415 P CB 0.601 32.307 31.700 0.010 0.000 0.806 416 R N 2.159 122.659 120.500 0.001 0.000 2.730 416 R HA 0.772 5.044 4.340 -0.114 0.000 0.228 416 R C 0.292 176.597 176.300 0.009 0.000 1.312 416 R CA -0.716 55.385 56.100 0.001 0.000 1.093 416 R CB 0.653 30.950 30.300 -0.006 0.000 1.583 416 R HN 0.293 nan 8.270 nan 0.000 0.535 424 I N 3.029 123.589 120.570 -0.017 0.000 2.525 424 I HA 0.574 4.676 4.170 -0.114 0.000 0.301 424 I C -0.704 175.402 176.117 -0.018 0.000 0.992 424 I CA -0.226 61.050 61.300 -0.041 0.000 1.162 424 I CB 1.435 39.393 38.000 -0.069 0.000 1.332 424 I HN 0.259 nan 8.210 nan 0.000 0.458 425 K N 5.397 125.787 120.400 -0.015 0.000 2.367 425 K HA 0.509 4.761 4.320 -0.114 0.000 0.263 425 K C -2.475 174.143 176.600 0.030 0.000 1.000 425 K CA -1.510 54.784 56.287 0.011 0.000 0.891 425 K CB 1.025 33.532 32.500 0.013 0.000 1.117 425 K HN 0.446 nan 8.250 nan 0.000 0.443 426 P HA -0.082 nan 4.420 nan 0.000 0.265 426 P C -0.652 176.747 177.300 0.164 0.000 1.187 426 P CA -0.118 63.033 63.100 0.085 0.000 0.766 426 P CB 0.491 32.223 31.700 0.053 0.000 0.820 427 K N 3.203 123.690 120.400 0.144 0.000 2.379 427 K HA 0.150 4.402 4.320 -0.114 0.000 0.284 427 K C -0.288 176.423 176.600 0.185 0.000 1.044 427 K CA -0.212 56.154 56.287 0.132 0.000 0.974 427 K CB -0.094 32.462 32.500 0.094 0.000 0.962 427 K HN 0.385 nan 8.250 nan 0.000 0.474 428 L N 6.505 127.770 121.223 0.070 0.000 2.417 428 L HA 0.281 4.553 4.340 -0.114 0.000 0.268 428 L C -1.931 174.945 176.870 0.010 0.000 1.158 428 L CA -2.331 52.453 54.840 -0.094 0.000 0.819 428 L CB 0.705 42.697 42.059 -0.112 0.000 1.112 428 L HN 0.577 nan 8.230 nan 0.000 0.458 429 P HA 0.046 nan 4.420 nan 0.000 0.271 429 P C -0.212 177.199 177.300 0.184 0.000 1.220 429 P CA -0.026 63.134 63.100 0.100 0.000 0.768 429 P CB 0.616 32.380 31.700 0.105 0.000 0.848 430 E N 1.730 122.022 120.200 0.153 0.000 2.476 430 E HA 0.001 4.283 4.350 -0.114 0.000 0.199 430 E C 0.259 176.923 176.600 0.108 0.000 1.021 430 E CA 0.348 56.858 56.400 0.183 0.000 0.907 430 E CB 0.001 29.768 29.700 0.111 0.000 0.974 430 E HN 0.498 nan 8.360 nan 0.000 0.489 431 N N 0.746 119.486 118.700 0.067 0.000 2.671 431 N HA -0.001 4.671 4.740 -0.114 0.000 0.303 431 N C 0.519 176.001 175.510 -0.047 0.000 1.351 431 N CA -0.453 52.575 53.050 -0.036 0.000 0.991 431 N CB -0.975 37.498 38.487 -0.022 0.000 1.307 431 N HN 0.093 nan 8.380 nan 0.000 0.512 432 F N -1.755 118.062 119.950 -0.221 0.000 2.754 432 F HA 0.422 4.881 4.527 -0.114 0.000 0.297 432 F C -0.044 175.626 175.800 -0.218 0.000 1.122 432 F CA -0.720 57.119 58.000 -0.269 0.000 1.400 432 F CB 0.141 38.784 39.000 -0.595 0.000 1.117 432 F HN -0.137 nan 8.300 nan 0.000 0.587 433 L N 1.577 122.330 121.223 -0.784 0.000 2.349 433 L HA 0.279 4.550 4.340 -0.114 0.000 0.275 433 L C 0.707 177.446 176.870 -0.219 0.000 1.115 433 L CA -0.509 54.023 54.840 -0.514 0.000 0.820 433 L CB 0.923 42.691 42.059 -0.486 0.000 1.135 433 L HN 0.214 nan 8.230 nan 0.000 0.445 434 S N 1.679 117.305 115.700 -0.124 0.000 2.585 434 S HA 0.045 4.447 4.470 -0.114 0.000 0.273 434 S C 1.243 175.815 174.600 -0.048 0.000 1.339 434 S CA -0.169 57.994 58.200 -0.062 0.000 1.028 434 S CB 0.438 63.620 63.200 -0.030 0.000 0.906 434 S HN 0.747 nan 8.310 nan 0.000 0.528 435 E N 1.948 122.127 120.200 -0.035 0.000 2.204 435 E HA -0.130 4.152 4.350 -0.114 0.000 0.195 435 E C 1.586 178.190 176.600 0.007 0.000 0.990 435 E CA 1.185 57.571 56.400 -0.023 0.000 0.821 435 E CB 0.059 29.742 29.700 -0.027 0.000 0.750 435 E HN 0.610 nan 8.360 nan 0.000 0.477 436 K N -0.021 120.381 120.400 0.004 0.000 2.137 436 K HA -0.051 4.201 4.320 -0.114 0.000 0.202 436 K C 1.955 178.596 176.600 0.068 0.000 1.052 436 K CA 0.777 57.082 56.287 0.031 0.000 0.961 436 K CB 0.078 32.578 32.500 0.000 0.000 0.741 436 K HN 0.134 nan 8.250 nan 0.000 0.452 437 E N 1.047 121.266 120.200 0.032 0.000 2.118 437 E HA -0.166 4.116 4.350 -0.114 0.000 0.195 437 E C 1.928 178.570 176.600 0.071 0.000 0.992 437 E CA 1.035 57.455 56.400 0.034 0.000 0.804 437 E CB -0.100 29.595 29.700 -0.008 0.000 0.741 437 E HN 0.289 nan 8.360 nan 0.000 0.458 438 I N 0.172 120.789 120.570 0.078 0.000 2.617 438 I HA -0.194 3.907 4.170 -0.114 0.000 0.256 438 I C 2.427 178.604 176.117 0.099 0.000 1.167 438 I CA 0.825 62.206 61.300 0.135 0.000 1.469 438 I CB -0.217 37.821 38.000 0.063 0.000 1.098 438 I HN 0.134 nan 8.210 nan 0.000 0.436 439 H N 1.815 120.876 119.070 -0.014 0.000 2.353 439 H HA -0.131 4.357 4.556 -0.114 0.000 0.300 439 H C 2.117 177.402 175.328 -0.073 0.000 1.090 439 H CA 1.610 57.624 56.048 -0.057 0.000 1.327 439 H CB 0.245 29.980 29.762 -0.046 0.000 1.383 439 H HN -0.058 nan 8.280 nan 0.000 0.508 440 K N 0.062 120.457 120.400 -0.009 0.000 2.097 440 K HA -0.088 4.163 4.320 -0.114 0.000 0.206 440 K C 2.158 178.698 176.600 -0.100 0.000 1.049 440 K CA 0.540 56.791 56.287 -0.059 0.000 0.933 440 K CB -0.510 32.001 32.500 0.018 0.000 0.717 440 K HN 0.272 nan 8.250 nan 0.000 0.442 441 L N 1.017 122.225 121.223 -0.025 0.000 2.046 441 L HA -0.072 4.200 4.340 -0.114 0.000 0.208 441 L C 2.352 179.124 176.870 -0.164 0.000 1.077 441 L CA 1.688 56.558 54.840 0.050 0.000 0.747 441 L CB -1.379 40.871 42.059 0.319 0.000 0.896 441 L HN 0.126 nan 8.230 nan 0.000 0.432 442 A N -1.163 121.342 122.820 -0.524 0.000 1.969 442 A HA -0.196 4.056 4.320 -0.114 0.000 0.218 442 A C 2.351 179.549 177.584 -0.643 0.000 1.169 442 A CA 1.412 52.739 52.037 -1.184 0.000 0.635 442 A CB -0.325 18.031 19.000 -1.073 0.000 0.810 442 A HN 0.369 nan 8.150 nan 0.000 0.445 443 K N -0.566 119.567 120.400 -0.446 0.000 2.155 443 K HA -0.080 4.172 4.320 -0.114 0.000 0.203 443 K C 2.132 178.629 176.600 -0.172 0.000 1.052 443 K CA 1.363 57.476 56.287 -0.289 0.000 0.948 443 K CB -0.055 32.284 32.500 -0.268 0.000 0.728 443 K HN 0.518 nan 8.250 nan 0.000 0.448 444 K N 0.529 120.845 120.400 -0.139 0.000 2.167 444 K HA -0.017 4.235 4.320 -0.114 0.000 0.203 444 K C 0.382 176.966 176.600 -0.027 0.000 1.052 444 K CA 0.646 56.894 56.287 -0.066 0.000 0.956 444 K CB 0.309 32.784 32.500 -0.041 0.000 0.735 444 K HN 0.050 nan 8.250 nan 0.000 0.451 445 N N 0.440 119.141 118.700 0.002 0.000 2.483 445 N HA 0.058 4.730 4.740 -0.114 0.000 0.285 445 N C -0.361 175.226 175.510 0.128 0.000 1.210 445 N CA -0.457 52.652 53.050 0.099 0.000 0.931 445 N CB 1.559 40.181 38.487 0.224 0.000 1.220 445 N HN 0.006 nan 8.380 nan 0.000 0.542 446 D N -0.165 120.326 120.400 0.152 0.000 2.262 446 D HA 0.045 4.616 4.640 -0.114 0.000 0.212 446 D C 0.626 177.064 176.300 0.229 0.000 0.964 446 D CA 1.073 55.158 54.000 0.140 0.000 0.875 446 D CB 0.673 41.523 40.800 0.083 0.000 0.996 446 D HN 0.382 nan 8.370 nan 0.000 0.497 447 V N -2.477 117.587 119.914 0.250 0.000 3.114 447 V HA 0.862 4.914 4.120 -0.114 0.000 0.308 447 V C -1.186 174.916 176.094 0.013 0.000 1.168 447 V CA -1.355 61.049 62.300 0.172 0.000 1.015 447 V CB 1.867 33.735 31.823 0.075 0.000 1.050 447 V HN 0.003 nan 8.190 nan 0.000 0.433 448 A N 2.066 124.691 122.820 -0.325 0.000 2.324 448 A HA 0.923 5.175 4.320 -0.114 0.000 0.330 448 A C -0.746 176.737 177.584 -0.169 0.000 1.165 448 A CA -0.743 51.010 52.037 -0.474 0.000 0.813 448 A CB 1.697 20.011 19.000 -1.143 0.000 1.197 448 A HN 1.547 nan 8.150 nan 0.000 0.484 449 V N 3.864 123.749 119.914 -0.048 0.000 2.482 449 V HA 0.358 4.410 4.120 -0.114 0.000 0.295 449 V C -0.668 175.438 176.094 0.020 0.000 1.026 449 V CA -0.080 62.203 62.300 -0.028 0.000 0.856 449 V CB 1.272 33.072 31.823 -0.040 0.000 1.001 449 V HN 0.753 nan 8.190 nan 0.000 0.424 450 I N 5.008 125.572 120.570 -0.010 0.000 2.378 450 I HA 0.488 4.590 4.170 -0.114 0.000 0.291 450 I C -0.401 175.680 176.117 -0.060 0.000 0.992 450 I CA -0.942 60.351 61.300 -0.011 0.000 1.154 450 I CB 2.016 39.956 38.000 -0.099 0.000 1.315 450 I HN 0.234 nan 8.210 nan 0.000 0.448 451 V N 7.029 126.907 119.914 -0.060 0.000 2.407 451 V HA 0.371 4.422 4.120 -0.114 0.000 0.278 451 V C 0.153 176.201 176.094 -0.077 0.000 1.037 451 V CA -0.426 61.831 62.300 -0.072 0.000 0.900 451 V CB 1.587 33.362 31.823 -0.079 0.000 0.983 451 V HN 0.419 nan 8.190 nan 0.000 0.459 452 I N 4.166 124.680 120.570 -0.093 0.000 2.382 452 I HA 0.458 4.560 4.170 -0.114 0.000 0.286 452 I C 0.143 176.226 176.117 -0.057 0.000 1.002 452 I CA 0.128 61.366 61.300 -0.103 0.000 1.135 452 I CB 1.619 39.508 38.000 -0.186 0.000 1.288 452 I HN 0.530 nan 8.210 nan 0.000 0.448 453 S N 6.828 122.507 115.700 -0.035 0.000 2.532 453 S HA 0.725 5.127 4.470 -0.114 0.000 0.301 453 S C -0.306 174.288 174.600 -0.009 0.000 1.083 453 S CA -0.813 57.378 58.200 -0.016 0.000 1.025 453 S CB 2.374 65.568 63.200 -0.010 0.000 1.056 453 S HN 0.402 nan 8.310 nan 0.000 0.494 454 R N 1.391 121.890 120.500 -0.001 0.000 2.698 454 R HA 0.590 4.862 4.340 -0.114 0.000 0.275 454 R C -1.319 174.970 176.300 -0.019 0.000 1.001 454 R CA -0.526 55.574 56.100 -0.001 0.000 0.896 454 R CB 1.976 32.285 30.300 0.016 0.000 1.218 454 R HN 0.719 nan 8.270 nan 0.000 0.462 455 I N 0.533 121.080 120.570 -0.040 0.000 2.769 455 I HA 0.530 4.632 4.170 -0.114 0.000 0.298 455 I C -0.594 175.470 176.117 -0.089 0.000 1.128 455 I CA -0.274 60.970 61.300 -0.093 0.000 1.031 455 I CB 2.220 40.153 38.000 -0.113 0.000 1.235 455 I HN 0.861 nan 8.210 nan 0.000 0.423 456 S N 4.034 119.651 115.700 -0.138 0.000 2.776 456 S HA 1.025 5.426 4.470 -0.114 0.000 0.292 456 S C -0.608 173.955 174.600 -0.062 0.000 1.187 456 S CA -0.349 57.825 58.200 -0.044 0.000 0.834 456 S CB 1.906 65.155 63.200 0.081 0.000 1.199 456 S HN 1.127 nan 8.310 nan 0.000 0.514 457 G N -0.531 108.363 108.800 0.156 0.000 2.466 457 G HA2 0.447 4.339 3.960 -0.114 0.000 0.291 457 G HA3 0.447 4.339 3.960 -0.114 0.000 0.291 457 G C -1.697 173.425 174.900 0.370 0.000 1.460 457 G CA -0.806 44.462 45.100 0.281 0.000 0.791 457 G HN 0.925 nan 8.290 nan 0.000 0.505 458 E N -0.468 119.931 120.200 0.332 0.000 2.502 458 E HA 0.361 4.643 4.350 -0.114 0.000 0.261 458 E C 1.424 178.147 176.600 0.206 0.000 0.974 458 E CA 1.643 58.179 56.400 0.227 0.000 0.936 458 E CB 0.153 29.958 29.700 0.176 0.000 0.926 458 E HN 1.915 nan 8.360 nan 0.000 0.459 459 G N 3.379 112.220 108.800 0.067 0.000 2.234 459 G HA2 -0.282 3.609 3.960 -0.114 0.000 0.235 459 G HA3 -0.282 3.609 3.960 -0.114 0.000 0.235 459 G C -0.540 174.164 174.900 -0.327 0.000 0.997 459 G CA 0.287 45.278 45.100 -0.182 0.000 0.623 459 G HN 0.554 nan 8.290 nan 0.000 0.514 460 Y N 1.382 121.723 120.300 0.068 0.000 2.376 460 Y HA 0.628 5.110 4.550 -0.114 0.000 0.340 460 Y C -0.296 175.666 175.900 0.103 0.000 0.965 460 Y CA -1.277 56.865 58.100 0.070 0.000 1.078 460 Y CB 1.644 40.142 38.460 0.063 0.000 1.193 460 Y HN -0.042 nan 8.280 nan 0.000 0.452 461 D N 2.460 123.007 120.400 0.246 0.000 2.253 461 D HA 0.325 4.897 4.640 -0.114 0.000 0.249 461 D C 0.064 176.501 176.300 0.229 0.000 1.049 461 D CA -0.505 53.656 54.000 0.268 0.000 0.929 461 D CB 1.129 42.118 40.800 0.317 0.000 1.176 461 D HN 0.475 nan 8.370 nan 0.000 0.437 462 R N 1.032 121.649 120.500 0.195 0.000 2.649 462 R HA 0.338 4.610 4.340 -0.114 0.000 0.270 462 R C 0.298 176.657 176.300 0.098 0.000 1.105 462 R CA -0.452 55.724 56.100 0.127 0.000 1.193 462 R CB 0.722 31.081 30.300 0.099 0.000 1.120 462 R HN 0.193 nan 8.270 nan 0.000 0.561 463 K N 1.578 122.014 120.400 0.060 0.000 2.318 463 K HA 0.295 4.547 4.320 -0.114 0.000 0.249 463 K C -2.376 174.206 176.600 -0.030 0.000 0.942 463 K CA -2.012 54.284 56.287 0.015 0.000 0.808 463 K CB 2.046 34.579 32.500 0.055 0.000 1.189 463 K HN 0.344 nan 8.250 nan 0.000 0.428 464 P HA 0.036 nan 4.420 nan 0.000 0.225 464 P C -0.172 177.296 177.300 0.280 0.000 1.768 464 P CA -0.131 62.894 63.100 -0.124 0.000 0.943 464 P CB -0.250 31.143 31.700 -0.511 0.000 1.936 465 V N -2.456 117.645 119.914 0.311 0.000 3.102 465 V HA 0.548 4.600 4.120 -0.114 0.000 0.312 465 V C 0.026 176.326 176.094 0.343 0.000 1.135 465 V CA -1.764 60.713 62.300 0.294 0.000 1.022 465 V CB 1.977 33.887 31.823 0.145 0.000 1.056 465 V HN -0.126 nan 8.190 nan 0.000 0.436 466 K N 1.006 121.547 120.400 0.234 0.000 2.485 466 K HA 0.446 4.698 4.320 -0.114 0.000 0.277 466 K C 1.198 177.885 176.600 0.144 0.000 0.990 466 K CA 1.118 57.524 56.287 0.199 0.000 0.994 466 K CB 0.403 32.970 32.500 0.112 0.000 0.906 466 K HN 1.630 nan 8.250 nan 0.000 0.488 467 G N 1.548 110.421 108.800 0.122 0.000 2.199 467 G HA2 -0.268 3.624 3.960 -0.114 0.000 0.254 467 G HA3 -0.268 3.624 3.960 -0.114 0.000 0.254 467 G C 0.337 175.282 174.900 0.076 0.000 0.982 467 G CA 0.593 45.742 45.100 0.082 0.000 0.632 467 G HN 0.717 nan 8.290 nan 0.000 0.529 468 D N -1.528 118.937 120.400 0.108 0.000 3.208 468 D HA 0.316 4.888 4.640 -0.114 0.000 0.193 468 D C 1.689 178.040 176.300 0.084 0.000 1.283 468 D CA 0.204 54.261 54.000 0.095 0.000 1.473 468 D CB -0.450 40.417 40.800 0.112 0.000 1.040 468 D HN 0.079 nan 8.370 nan 0.000 0.173 469 F N 0.599 120.522 119.950 -0.045 0.000 2.134 469 F HA 0.013 4.472 4.527 -0.113 0.000 0.299 469 F C 0.357 176.016 175.800 -0.235 0.000 1.097 469 F CA 1.124 59.011 58.000 -0.188 0.000 1.264 469 F CB -0.060 38.733 39.000 -0.344 0.000 1.001 469 F HN 0.018 nan 8.300 nan 0.000 0.479 470 Y N 0.251 120.627 120.300 0.126 0.000 2.335 470 Y HA 0.399 4.881 4.550 -0.114 0.000 0.323 470 Y C -0.047 175.871 175.900 0.030 0.000 1.224 470 Y CA -1.428 56.714 58.100 0.070 0.000 1.241 470 Y CB 0.434 38.992 38.460 0.163 0.000 1.235 470 Y HN -0.278 nan 8.280 nan 0.000 0.492 471 L N 2.104 123.438 121.223 0.186 0.000 2.485 471 L HA 0.061 4.333 4.340 -0.114 0.000 0.275 471 L C 0.543 177.465 176.870 0.087 0.000 1.207 471 L CA 0.064 54.943 54.840 0.064 0.000 0.855 471 L CB 0.225 42.271 42.059 -0.022 0.000 1.114 471 L HN 0.793 nan 8.230 nan 0.000 0.485 472 S N 1.125 116.852 115.700 0.044 0.000 2.600 472 S HA 0.108 4.510 4.470 -0.114 0.000 0.265 472 S C 0.760 175.378 174.600 0.029 0.000 1.325 472 S CA -0.644 57.586 58.200 0.050 0.000 1.002 472 S CB 0.602 63.830 63.200 0.047 0.000 0.921 472 S HN 0.595 nan 8.310 nan 0.000 0.554 473 D N 1.401 121.821 120.400 0.034 0.000 2.149 473 D HA -0.127 4.445 4.640 -0.114 0.000 0.198 473 D C 1.682 177.986 176.300 0.006 0.000 0.990 473 D CA 1.707 55.721 54.000 0.022 0.000 0.839 473 D CB -0.411 40.405 40.800 0.026 0.000 0.948 473 D HN 0.839 nan 8.370 nan 0.000 0.460 474 D N 0.609 121.017 120.400 0.013 0.000 2.178 474 D HA -0.151 4.421 4.640 -0.114 0.000 0.202 474 D C 1.585 177.868 176.300 -0.027 0.000 0.974 474 D CA 0.757 54.759 54.000 0.004 0.000 0.841 474 D CB -0.610 40.211 40.800 0.035 0.000 0.953 474 D HN 0.298 nan 8.370 nan 0.000 0.478 475 E N 0.093 120.269 120.200 -0.039 0.000 2.072 475 E HA -0.086 4.196 4.350 -0.114 0.000 0.191 475 E C 2.019 178.533 176.600 -0.144 0.000 0.985 475 E CA 1.307 57.648 56.400 -0.099 0.000 0.801 475 E CB -0.054 29.574 29.700 -0.119 0.000 0.750 475 E HN 0.216 nan 8.360 nan 0.000 0.452 476 T N 1.146 115.641 114.554 -0.098 0.000 2.746 476 T HA -0.134 4.148 4.350 -0.114 0.000 0.267 476 T C 1.220 175.881 174.700 -0.066 0.000 1.039 476 T CA 1.353 63.408 62.100 -0.076 0.000 1.142 476 T CB -0.224 68.642 68.868 -0.003 0.000 0.866 476 T HN 0.093 nan 8.240 nan 0.000 0.444 477 D N 0.788 121.154 120.400 -0.056 0.000 2.144 477 D HA -0.024 4.548 4.640 -0.114 0.000 0.200 477 D C 2.023 178.264 176.300 -0.099 0.000 0.978 477 D CA 0.503 54.468 54.000 -0.058 0.000 0.833 477 D CB -0.418 40.357 40.800 -0.041 0.000 0.961 477 D HN 0.206 nan 8.370 nan 0.000 0.470 478 L N 0.871 122.018 121.223 -0.126 0.000 2.017 478 L HA -0.112 4.160 4.340 -0.114 0.000 0.208 478 L C 2.156 178.883 176.870 -0.239 0.000 1.073 478 L CA 1.422 56.146 54.840 -0.192 0.000 0.745 478 L CB -0.495 41.458 42.059 -0.177 0.000 0.894 478 L HN -0.017 nan 8.230 nan 0.000 0.432 479 I N -0.659 119.783 120.570 -0.214 0.000 2.226 479 I HA -0.329 3.773 4.170 -0.114 0.000 0.245 479 I C 2.474 178.506 176.117 -0.141 0.000 1.100 479 I CA 1.458 62.635 61.300 -0.206 0.000 1.374 479 I CB -0.402 37.476 38.000 -0.204 0.000 1.057 479 I HN 0.283 nan 8.210 nan 0.000 0.413 480 K N 0.168 120.513 120.400 -0.090 0.000 2.032 480 K HA -0.151 4.101 4.320 -0.114 0.000 0.209 480 K C 2.129 178.687 176.600 -0.071 0.000 1.048 480 K CA 2.005 58.262 56.287 -0.051 0.000 0.927 480 K CB -0.313 32.174 32.500 -0.023 0.000 0.712 480 K HN 0.308 nan 8.250 nan 0.000 0.441 481 T N 0.962 115.459 114.554 -0.096 0.000 2.701 481 T HA -0.093 4.189 4.350 -0.114 0.000 0.263 481 T C 2.052 176.694 174.700 -0.096 0.000 1.040 481 T CA 1.149 63.198 62.100 -0.086 0.000 1.147 481 T CB -0.198 68.611 68.868 -0.099 0.000 0.865 481 T HN -0.069 nan 8.240 nan 0.000 0.426 482 V N 1.603 121.396 119.914 -0.202 0.000 2.287 482 V HA -0.198 3.854 4.120 -0.114 0.000 0.248 482 V C 2.763 178.797 176.094 -0.099 0.000 1.053 482 V CA 2.090 64.256 62.300 -0.224 0.000 1.027 482 V CB -0.924 30.541 31.823 -0.598 0.000 0.646 482 V HN 0.556 nan 8.190 nan 0.000 0.447 483 S N -0.087 115.495 115.700 -0.196 0.000 2.353 483 S HA -0.308 4.093 4.470 -0.114 0.000 0.222 483 S C 2.247 176.706 174.600 -0.236 0.000 1.035 483 S CA 2.221 60.231 58.200 -0.316 0.000 1.025 483 S CB -0.397 62.658 63.200 -0.241 0.000 0.902 483 S HN 0.567 nan 8.310 nan 0.000 0.440 484 R N 0.374 120.832 120.500 -0.071 0.000 2.081 484 R HA -0.084 4.188 4.340 -0.114 0.000 0.235 484 R C 2.226 178.562 176.300 0.060 0.000 1.131 484 R CA 1.739 57.850 56.100 0.018 0.000 0.960 484 R CB -0.306 30.008 30.300 0.022 0.000 0.856 484 R HN 0.395 nan 8.270 nan 0.000 0.436 485 E N 0.021 120.260 120.200 0.065 0.000 2.051 485 E HA -0.180 4.102 4.350 -0.114 0.000 0.192 485 E C 1.890 178.495 176.600 0.009 0.000 0.991 485 E CA 1.323 57.757 56.400 0.058 0.000 0.799 485 E CB -0.357 29.377 29.700 0.058 0.000 0.748 485 E HN 0.374 nan 8.360 nan 0.000 0.449 486 F N 0.228 120.155 119.950 -0.038 0.000 2.259 486 F HA -0.067 4.392 4.527 -0.113 0.000 0.298 486 F C 2.365 178.233 175.800 0.113 0.000 1.088 486 F CA 1.022 59.028 58.000 0.009 0.000 1.358 486 F CB -0.172 38.821 39.000 -0.012 0.000 1.040 486 F HN 0.207 nan 8.300 nan 0.000 0.505 487 H N -1.188 117.984 119.070 0.170 0.000 2.428 487 H HA -0.108 4.380 4.556 -0.114 0.000 0.296 487 H C 1.995 177.356 175.328 0.055 0.000 1.062 487 H CA 0.526 56.634 56.048 0.100 0.000 1.350 487 H CB 0.188 30.000 29.762 0.083 0.000 1.403 487 H HN 0.074 nan 8.280 nan 0.000 0.533 488 E N 0.731 121.030 120.200 0.165 0.000 2.110 488 E HA -0.128 4.154 4.350 -0.114 0.000 0.193 488 E C 1.783 178.410 176.600 0.045 0.000 0.988 488 E CA 0.827 57.279 56.400 0.087 0.000 0.804 488 E CB 0.085 29.829 29.700 0.073 0.000 0.745 488 E HN 0.497 nan 8.360 nan 0.000 0.458 489 Q N -0.730 119.076 119.800 0.010 0.000 2.444 489 Q HA 0.074 4.346 4.340 -0.114 0.000 0.206 489 Q C 0.874 176.880 176.000 0.010 0.000 0.948 489 Q CA 0.684 56.464 55.803 -0.037 0.000 0.946 489 Q CB 0.462 29.106 28.738 -0.156 0.000 1.027 489 Q HN 0.399 nan 8.270 nan 0.000 0.513 490 G N 1.208 110.042 108.800 0.056 0.000 2.147 490 G HA2 -0.286 3.606 3.960 -0.114 0.000 0.244 490 G HA3 -0.286 3.606 3.960 -0.114 0.000 0.244 490 G C -0.070 174.885 174.900 0.092 0.000 1.005 490 G CA 0.359 45.492 45.100 0.055 0.000 0.713 490 G HN 0.296 nan 8.290 nan 0.000 0.515 491 K N -0.158 120.346 120.400 0.173 0.000 2.221 491 K HA 0.633 4.885 4.320 -0.114 0.000 0.243 491 K C 0.120 176.927 176.600 0.344 0.000 0.968 491 K CA -1.020 55.411 56.287 0.241 0.000 0.846 491 K CB 1.355 34.036 32.500 0.300 0.000 1.141 491 K HN -0.043 nan 8.250 nan 0.000 0.434 492 K N 1.152 121.705 120.400 0.256 0.000 2.098 492 K HA 0.370 4.622 4.320 -0.114 0.000 0.261 492 K C -0.819 175.861 176.600 0.134 0.000 0.987 492 K CA -0.647 55.774 56.287 0.223 0.000 0.916 492 K CB 1.967 34.542 32.500 0.125 0.000 1.039 492 K HN 0.333 nan 8.250 nan 0.000 0.455 493 V N 3.850 123.827 119.914 0.105 0.000 2.540 493 V HA 0.526 4.578 4.120 -0.114 0.000 0.302 493 V C -0.926 175.171 176.094 0.005 0.000 1.035 493 V CA -0.807 61.459 62.300 -0.057 0.000 0.873 493 V CB 1.255 32.969 31.823 -0.182 0.000 0.992 493 V HN 0.612 nan 8.190 nan 0.000 0.428 494 I N 6.256 126.811 120.570 -0.024 0.000 2.474 494 I HA 0.574 4.676 4.170 -0.114 0.000 0.294 494 I C -0.664 175.456 176.117 0.005 0.000 1.005 494 I CA -0.931 60.379 61.300 0.017 0.000 1.113 494 I CB 2.203 40.212 38.000 0.014 0.000 1.289 494 I HN 0.335 nan 8.210 nan 0.000 0.436 495 V N 6.643 126.587 119.914 0.050 0.000 2.459 495 V HA 0.447 4.499 4.120 -0.114 0.000 0.295 495 V C -0.188 175.920 176.094 0.024 0.000 1.029 495 V CA -0.629 61.687 62.300 0.026 0.000 0.874 495 V CB 1.895 33.766 31.823 0.081 0.000 0.985 495 V HN 0.434 nan 8.190 nan 0.000 0.438 496 L N 5.764 126.974 121.223 -0.021 0.000 2.280 496 L HA 0.536 4.808 4.340 -0.114 0.000 0.287 496 L C -0.598 176.249 176.870 -0.039 0.000 1.023 496 L CA -0.437 54.386 54.840 -0.029 0.000 0.819 496 L CB 1.336 43.372 42.059 -0.038 0.000 1.212 496 L HN 0.420 nan 8.230 nan 0.000 0.420 497 L N 3.843 125.041 121.223 -0.041 0.000 2.282 497 L HA 0.233 4.505 4.340 -0.114 0.000 0.287 497 L C 0.286 177.122 176.870 -0.055 0.000 1.075 497 L CA -0.183 54.633 54.840 -0.039 0.000 0.839 497 L CB 0.435 42.483 42.059 -0.019 0.000 1.219 497 L HN 0.544 nan 8.230 nan 0.000 0.434 498 N N 5.963 124.650 118.700 -0.021 0.000 3.229 498 N HA 0.349 5.021 4.740 -0.114 0.000 0.275 498 N C -0.707 174.828 175.510 0.042 0.000 1.225 498 N CA -0.318 52.739 53.050 0.011 0.000 1.119 498 N CB 0.042 38.528 38.487 -0.002 0.000 1.392 498 N HN 0.549 nan 8.380 nan 0.000 0.520 499 I N -3.339 117.285 120.570 0.090 0.000 3.145 499 I HA 0.745 4.847 4.170 -0.114 0.000 0.313 499 I C 0.719 177.025 176.117 0.315 0.000 1.122 499 I CA -1.284 60.096 61.300 0.135 0.000 0.987 499 I CB 1.970 40.029 38.000 0.098 0.000 1.236 499 I HN 0.006 nan 8.210 nan 0.000 0.453 500 G N 0.874 109.845 108.800 0.284 0.000 3.192 500 G HA2 0.532 4.424 3.960 -0.114 0.000 0.239 500 G HA3 0.532 4.424 3.960 -0.114 0.000 0.239 500 G C -0.025 175.099 174.900 0.373 0.000 1.084 500 G CA 0.541 45.853 45.100 0.354 0.000 0.784 500 G HN 1.001 nan 8.290 nan 0.000 0.540 501 S N -1.387 114.545 115.700 0.387 0.000 2.633 501 S HA 0.509 4.911 4.470 -0.114 0.000 0.271 501 S C -3.544 171.095 174.600 0.066 0.000 1.112 501 S CA -1.077 57.270 58.200 0.245 0.000 0.828 501 S CB 1.475 64.723 63.200 0.080 0.000 1.086 501 S HN -0.118 nan 8.310 nan 0.000 0.461 502 P HA 0.334 nan 4.420 nan 0.000 0.265 502 P C -0.292 176.742 177.300 -0.445 0.000 1.187 502 P CA -0.233 62.351 63.100 -0.861 0.000 0.766 502 P CB 0.369 31.545 31.700 -0.873 0.000 0.820 503 V N -0.549 119.045 119.914 -0.534 0.000 3.074 503 V HA 0.527 4.579 4.120 -0.114 0.000 0.314 503 V C -0.049 175.605 176.094 -0.734 0.000 1.117 503 V CA -1.172 60.667 62.300 -0.768 0.000 1.014 503 V CB 1.934 33.578 31.823 -0.299 0.000 1.057 503 V HN 0.348 nan 8.190 nan 0.000 0.438 504 E N 0.546 120.133 120.200 -1.022 0.000 2.414 504 E HA 0.170 4.452 4.350 -0.114 0.000 0.263 504 E C 0.383 177.020 176.600 0.062 0.000 1.000 504 E CA 1.012 57.190 56.400 -0.370 0.000 0.914 504 E CB 1.628 31.231 29.700 -0.161 0.000 0.948 504 E HN 1.165 nan 8.360 nan 0.000 0.444 505 V N 1.449 121.312 119.914 -0.085 0.000 3.426 505 V HA 0.055 4.107 4.120 -0.114 0.000 0.271 505 V C 1.664 177.292 176.094 -0.776 0.000 1.530 505 V CA 0.011 61.980 62.300 -0.551 0.000 1.021 505 V CB 0.220 31.832 31.823 -0.351 0.000 0.824 505 V HN 0.378 nan 8.190 nan 0.000 0.432 506 V N 2.790 122.493 119.914 -0.352 0.000 2.407 506 V HA -0.190 3.862 4.120 -0.114 0.000 0.248 506 V C 3.020 178.998 176.094 -0.192 0.000 1.055 506 V CA 2.875 65.013 62.300 -0.270 0.000 1.049 506 V CB -0.290 31.457 31.823 -0.126 0.000 0.662 506 V HN 0.844 nan 8.190 nan 0.000 0.455 507 S N -0.195 115.463 115.700 -0.070 0.000 2.474 507 S HA -0.158 4.244 4.470 -0.114 0.000 0.235 507 S C 1.560 176.237 174.600 0.129 0.000 0.997 507 S CA 1.258 59.501 58.200 0.071 0.000 0.949 507 S CB -0.368 62.948 63.200 0.193 0.000 0.766 507 S HN 0.905 nan 8.310 nan 0.000 0.517 508 W N 2.029 123.343 121.300 0.024 0.000 2.782 508 W HA 0.311 4.903 4.660 -0.113 0.000 0.268 508 W C 1.653 178.184 176.519 0.019 0.000 1.043 508 W CA 0.107 57.462 57.345 0.016 0.000 1.387 508 W CB -0.334 29.132 29.460 0.009 0.000 0.904 508 W HN 0.341 nan 8.180 nan 0.000 0.625 509 R N 1.250 121.463 120.500 -0.478 0.000 2.127 509 R HA -0.134 4.138 4.340 -0.114 0.000 0.238 509 R C 0.843 177.108 176.300 -0.057 0.000 1.134 509 R CA 1.977 57.840 56.100 -0.395 0.000 0.975 509 R CB -0.819 29.144 30.300 -0.561 0.000 0.865 509 R HN -0.119 nan 8.270 nan 0.000 0.447 510 D N 0.906 121.285 120.400 -0.035 0.000 2.363 510 D HA 0.024 4.596 4.640 -0.114 0.000 0.226 510 D C 1.642 178.003 176.300 0.102 0.000 1.020 510 D CA 0.586 54.601 54.000 0.025 0.000 0.892 510 D CB 0.192 40.993 40.800 0.002 0.000 0.900 510 D HN 0.332 nan 8.370 nan 0.000 0.531 511 L N 0.146 121.455 121.223 0.143 0.000 2.446 511 L HA 0.084 4.356 4.340 -0.114 0.000 0.219 511 L C 0.985 177.969 176.870 0.190 0.000 1.116 511 L CA 0.122 55.062 54.840 0.167 0.000 0.844 511 L CB 0.162 42.311 42.059 0.150 0.000 0.970 511 L HN -0.104 nan 8.230 nan 0.000 0.457 512 V N -5.398 114.640 119.914 0.207 0.000 3.113 512 V HA 0.443 4.495 4.120 -0.114 0.000 0.316 512 V C -0.094 176.118 176.094 0.197 0.000 1.125 512 V CA -0.758 61.660 62.300 0.197 0.000 1.026 512 V CB 2.165 34.105 31.823 0.194 0.000 1.080 512 V HN -0.052 nan 8.190 nan 0.000 0.444 513 D N 1.077 121.586 120.400 0.183 0.000 2.379 513 D HA 0.256 4.828 4.640 -0.114 0.000 0.218 513 D C 0.768 177.127 176.300 0.099 0.000 1.006 513 D CA 1.319 55.400 54.000 0.135 0.000 0.893 513 D CB 1.208 42.091 40.800 0.138 0.000 1.019 513 D HN 0.892 nan 8.370 nan 0.000 0.503 514 G N 0.706 109.565 108.800 0.099 0.000 2.617 514 G HA2 0.629 4.520 3.960 -0.114 0.000 0.306 514 G HA3 0.629 4.520 3.960 -0.114 0.000 0.306 514 G C -1.051 173.904 174.900 0.091 0.000 1.360 514 G CA -0.448 44.702 45.100 0.082 0.000 0.983 514 G HN -0.025 nan 8.290 nan 0.000 0.496 515 I N 1.793 122.402 120.570 0.065 0.000 2.468 515 I HA 0.329 4.430 4.170 -0.114 0.000 0.285 515 I C -0.824 175.280 176.117 -0.022 0.000 1.039 515 I CA -0.523 60.813 61.300 0.059 0.000 1.074 515 I CB 2.233 40.273 38.000 0.066 0.000 1.228 515 I HN 0.110 nan 8.210 nan 0.000 0.436 516 L N 6.515 127.722 121.223 -0.026 0.000 2.305 516 L HA 0.423 4.695 4.340 -0.114 0.000 0.284 516 L C -0.591 176.198 176.870 -0.136 0.000 1.013 516 L CA -0.789 54.002 54.840 -0.081 0.000 0.819 516 L CB 1.863 43.897 42.059 -0.040 0.000 1.227 516 L HN 0.423 nan 8.230 nan 0.000 0.417 517 L N 5.912 126.986 121.223 -0.248 0.000 2.312 517 L HA 0.194 4.466 4.340 -0.114 0.000 0.287 517 L C 0.703 177.340 176.870 -0.388 0.000 1.091 517 L CA 0.133 54.726 54.840 -0.412 0.000 0.846 517 L CB 1.082 42.739 42.059 -0.671 0.000 1.219 517 L HN 0.513 nan 8.230 nan 0.000 0.439 518 V N 2.058 121.839 119.914 -0.221 0.000 3.647 518 V HA 0.240 4.292 4.120 -0.114 0.000 0.279 518 V C 0.979 177.135 176.094 0.104 0.000 1.314 518 V CA -0.181 62.086 62.300 -0.054 0.000 1.125 518 V CB -1.842 29.970 31.823 -0.019 0.000 0.907 518 V HN 0.926 nan 8.190 nan 0.000 0.434 519 W N 0.454 121.784 121.300 0.050 0.000 1.582 519 W HA -0.294 4.298 4.660 -0.114 0.000 0.258 519 W C 0.736 177.276 176.519 0.035 0.000 0.943 519 W CA 1.365 58.749 57.345 0.064 0.000 0.943 519 W CB -1.167 28.340 29.460 0.077 0.000 0.885 519 W HN 0.287 nan 8.180 nan 0.000 0.566 520 Q N 0.310 120.322 119.800 0.353 0.000 2.347 520 Q HA 0.591 4.863 4.340 -0.114 0.000 0.265 520 Q C -0.135 175.949 176.000 0.139 0.000 1.024 520 Q CA 0.228 56.130 55.803 0.165 0.000 0.731 520 Q CB 1.697 30.489 28.738 0.091 0.000 1.245 520 Q HN 0.427 nan 8.270 nan 0.000 0.472 521 A N 2.425 125.310 122.820 0.107 0.000 2.545 521 A HA 0.617 4.869 4.320 -0.114 0.000 0.277 521 A C 0.901 178.524 177.584 0.065 0.000 1.301 521 A CA 0.364 52.457 52.037 0.094 0.000 0.935 521 A CB -0.321 18.726 19.000 0.078 0.000 1.093 521 A HN 0.958 nan 8.150 nan 0.000 0.519 522 G N 0.679 109.511 108.800 0.053 0.000 2.562 522 G HA2 -0.375 3.517 3.960 -0.114 0.000 0.250 522 G HA3 -0.375 3.517 3.960 -0.114 0.000 0.250 522 G C 0.810 175.715 174.900 0.008 0.000 1.269 522 G CA 0.435 45.549 45.100 0.024 0.000 0.919 522 G HN 1.039 nan 8.290 nan 0.000 0.574 523 Q N -0.616 119.161 119.800 -0.039 0.000 2.224 523 Q HA 0.061 4.333 4.340 -0.114 0.000 0.203 523 Q C 1.508 177.579 176.000 0.119 0.000 0.970 523 Q CA 1.871 57.653 55.803 -0.035 0.000 0.865 523 Q CB 0.003 28.581 28.738 -0.267 0.000 0.922 523 Q HN 0.591 nan 8.270 nan 0.000 0.445 524 E N 0.859 121.123 120.200 0.106 0.000 2.479 524 E HA 0.049 4.330 4.350 -0.114 0.000 0.193 524 E C 1.358 178.027 176.600 0.116 0.000 1.049 524 E CA 0.400 56.903 56.400 0.171 0.000 0.870 524 E CB 0.201 30.025 29.700 0.206 0.000 0.944 524 E HN 0.350 nan 8.360 nan 0.000 0.492 525 T N 0.966 115.565 114.554 0.074 0.000 2.594 525 T HA -0.244 4.038 4.350 -0.114 0.000 0.266 525 T C 1.894 176.615 174.700 0.036 0.000 1.070 525 T CA 2.106 64.233 62.100 0.045 0.000 1.166 525 T CB -0.568 68.323 68.868 0.038 0.000 0.862 525 T HN 0.455 nan 8.240 nan 0.000 0.436 526 G N 0.874 109.695 108.800 0.036 0.000 2.450 526 G HA2 -0.228 3.664 3.960 -0.114 0.000 0.220 526 G HA3 -0.228 3.664 3.960 -0.114 0.000 0.220 526 G C 1.726 176.645 174.900 0.032 0.000 1.130 526 G CA 0.708 45.815 45.100 0.012 0.000 0.760 526 G HN 0.458 nan 8.290 nan 0.000 0.557 527 R N -0.174 120.375 120.500 0.082 0.000 2.057 527 R HA 0.131 4.403 4.340 -0.114 0.000 0.229 527 R C 2.591 179.002 176.300 0.185 0.000 1.136 527 R CA 0.990 57.180 56.100 0.150 0.000 0.952 527 R CB -0.418 30.016 30.300 0.223 0.000 0.848 527 R HN 0.349 nan 8.270 nan 0.000 0.430 528 I N 0.392 121.014 120.570 0.087 0.000 2.151 528 I HA -0.321 3.781 4.170 -0.114 0.000 0.243 528 I C 2.253 178.352 176.117 -0.030 0.000 1.080 528 I CA 1.367 62.597 61.300 -0.117 0.000 1.339 528 I CB -0.358 37.519 38.000 -0.206 0.000 1.039 528 I HN -0.005 nan 8.210 nan 0.000 0.409 529 V N 0.914 120.825 119.914 -0.003 0.000 2.261 529 V HA -0.308 3.744 4.120 -0.114 0.000 0.246 529 V C 2.735 178.839 176.094 0.016 0.000 1.047 529 V CA 2.044 64.343 62.300 -0.001 0.000 1.015 529 V CB -1.101 30.716 31.823 -0.010 0.000 0.642 529 V HN 0.518 nan 8.190 nan 0.000 0.446 530 A N -0.045 122.787 122.820 0.021 0.000 1.917 530 A HA -0.296 3.955 4.320 -0.114 0.000 0.219 530 A C 1.967 179.586 177.584 0.058 0.000 1.182 530 A CA 2.301 54.354 52.037 0.027 0.000 0.633 530 A CB -0.704 18.308 19.000 0.020 0.000 0.819 530 A HN 0.557 nan 8.150 nan 0.000 0.448 531 D N -0.647 119.806 120.400 0.088 0.000 2.178 531 D HA -0.050 4.522 4.640 -0.114 0.000 0.202 531 D C 1.977 178.342 176.300 0.108 0.000 0.974 531 D CA 1.104 55.174 54.000 0.117 0.000 0.841 531 D CB -0.238 40.685 40.800 0.204 0.000 0.953 531 D HN 0.232 nan 8.370 nan 0.000 0.478 532 V N 0.803 120.764 119.914 0.080 0.000 2.453 532 V HA -0.154 3.898 4.120 -0.114 0.000 0.247 532 V C 2.545 178.744 176.094 0.176 0.000 1.048 532 V CA 0.875 63.238 62.300 0.104 0.000 1.049 532 V CB -0.304 31.540 31.823 0.034 0.000 0.672 532 V HN 0.206 nan 8.190 nan 0.000 0.457 533 L N 0.658 121.945 121.223 0.106 0.000 2.083 533 L HA -0.156 4.116 4.340 -0.114 0.000 0.209 533 L C 2.625 179.532 176.870 0.061 0.000 1.083 533 L CA 2.134 57.024 54.840 0.084 0.000 0.752 533 L CB -0.837 41.247 42.059 0.041 0.000 0.899 533 L HN 0.582 nan 8.230 nan 0.000 0.433 534 T N -4.160 110.433 114.554 0.065 0.000 3.100 534 T HA 0.191 4.473 4.350 -0.114 0.000 0.253 534 T C 1.442 176.166 174.700 0.040 0.000 1.118 534 T CA 0.502 62.624 62.100 0.038 0.000 1.058 534 T CB 0.505 69.400 68.868 0.044 0.000 0.953 534 T HN 0.481 nan 8.240 nan 0.000 0.515 535 G N 1.949 110.819 108.800 0.117 0.000 2.157 535 G HA2 -0.345 3.547 3.960 -0.114 0.000 0.248 535 G HA3 -0.345 3.547 3.960 -0.114 0.000 0.248 535 G C 0.832 175.829 174.900 0.162 0.000 0.979 535 G CA 0.497 45.706 45.100 0.181 0.000 0.650 535 G HN 0.651 nan 8.290 nan 0.000 0.529 536 R N -0.095 120.481 120.500 0.126 0.000 2.120 536 R HA 0.155 4.427 4.340 -0.114 0.000 0.234 536 R C 0.913 177.293 176.300 0.134 0.000 1.123 536 R CA 1.093 57.262 56.100 0.116 0.000 0.975 536 R CB -0.125 30.241 30.300 0.111 0.000 0.866 536 R HN 0.493 nan 8.270 nan 0.000 0.446 537 I N 1.759 122.414 120.570 0.141 0.000 2.354 537 I HA 0.109 4.211 4.170 -0.114 0.000 0.292 537 I C -0.694 175.476 176.117 0.089 0.000 0.989 537 I CA -0.954 60.405 61.300 0.099 0.000 1.188 537 I CB 1.603 39.629 38.000 0.044 0.000 1.342 537 I HN 0.041 nan 8.210 nan 0.000 0.457 538 N N 8.599 127.321 118.700 0.038 0.000 2.439 538 N HA 0.342 5.014 4.740 -0.114 0.000 0.249 538 N C -2.591 172.793 175.510 -0.211 0.000 1.003 538 N CA -2.073 50.927 53.050 -0.083 0.000 0.942 538 N CB 0.870 39.386 38.487 0.048 0.000 1.115 538 N HN 0.142 nan 8.380 nan 0.000 0.505 539 P HA -0.050 nan 4.420 nan 0.000 0.259 539 P C -0.168 177.018 177.300 -0.189 0.000 1.163 539 P CA 0.540 63.453 63.100 -0.313 0.000 0.760 539 P CB 0.380 31.803 31.700 -0.462 0.000 0.762 540 S N 1.217 116.851 115.700 -0.110 0.000 2.847 540 S HA 0.283 4.685 4.470 -0.114 0.000 0.254 540 S C 0.787 175.344 174.600 -0.071 0.000 1.039 540 S CA -0.250 57.902 58.200 -0.080 0.000 1.113 540 S CB -0.077 63.097 63.200 -0.043 0.000 1.092 540 S HN 0.487 nan 8.310 nan 0.000 0.620 541 G N 1.375 110.149 108.800 -0.044 0.000 2.503 541 G HA2 0.553 4.445 3.960 -0.114 0.000 0.257 541 G HA3 0.553 4.445 3.960 -0.114 0.000 0.257 541 G C -0.777 174.110 174.900 -0.021 0.000 1.214 541 G CA -0.484 44.639 45.100 0.038 0.000 0.839 541 G HN 0.362 nan 8.290 nan 0.000 0.559 542 K N 0.901 121.343 120.400 0.069 0.000 2.469 542 K HA 0.311 4.563 4.320 -0.114 0.000 0.254 542 K C -0.466 176.316 176.600 0.303 0.000 0.939 542 K CA -0.862 55.406 56.287 -0.031 0.000 0.812 542 K CB 2.635 34.866 32.500 -0.448 0.000 1.301 542 K HN 0.309 nan 8.250 nan 0.000 0.433 543 L N 3.732 125.085 121.223 0.217 0.000 2.540 543 L HA 0.013 4.285 4.340 -0.114 0.000 0.276 543 L C -1.395 175.668 176.870 0.322 0.000 1.212 543 L CA -0.710 54.341 54.840 0.351 0.000 0.893 543 L CB 0.173 42.422 42.059 0.316 0.000 1.138 543 L HN 0.468 nan 8.230 nan 0.000 0.491 544 P HA 0.119 nan 4.420 nan 0.000 0.267 544 P C -0.307 177.320 177.300 0.545 0.000 1.289 544 P CA 0.177 63.385 63.100 0.181 0.000 0.866 544 P CB 0.795 32.514 31.700 0.031 0.000 1.309 545 T N -1.489 113.444 114.554 0.631 0.000 2.889 545 T HA 0.293 4.575 4.350 -0.114 0.000 0.315 545 T C -0.678 174.407 174.700 0.642 0.000 1.291 545 T CA -0.287 62.219 62.100 0.677 0.000 1.028 545 T CB 1.409 70.615 68.868 0.563 0.000 1.235 545 T HN -0.319 nan 8.240 nan 0.000 0.491 546 T N 2.236 117.108 114.554 0.530 0.000 2.832 546 T HA 0.443 4.725 4.350 -0.114 0.000 0.296 546 T C -0.600 174.317 174.700 0.361 0.000 0.968 546 T CA -0.077 62.253 62.100 0.384 0.000 1.107 546 T CB -0.158 68.798 68.868 0.147 0.000 0.916 546 T HN 0.298 nan 8.240 nan 0.000 0.517 547 F N 6.403 126.430 119.950 0.128 0.000 2.375 547 F HA 0.314 4.773 4.527 -0.114 0.000 0.362 547 F C -1.660 174.150 175.800 0.016 0.000 1.129 547 F CA -2.622 55.454 58.000 0.126 0.000 1.154 547 F CB 0.871 39.972 39.000 0.168 0.000 1.205 547 F HN 0.314 nan 8.300 nan 0.000 0.513 548 P HA 0.207 nan 4.420 nan 0.000 0.277 548 P C 0.444 177.850 177.300 0.176 0.000 1.240 548 P CA -0.362 62.821 63.100 0.139 0.000 0.798 548 P CB 1.251 33.083 31.700 0.220 0.000 0.979 549 R N 0.543 121.115 120.500 0.121 0.000 2.083 549 R HA -0.089 4.183 4.340 -0.114 0.000 0.237 549 R C 0.516 176.941 176.300 0.209 0.000 1.137 549 R CA 1.675 57.834 56.100 0.099 0.000 0.951 549 R CB -0.171 30.169 30.300 0.066 0.000 0.851 549 R HN 0.634 nan 8.270 nan 0.000 0.434 550 D N -3.133 117.417 120.400 0.251 0.000 2.661 550 D HA 0.032 4.604 4.640 -0.114 0.000 0.228 550 D C -0.153 176.286 176.300 0.232 0.000 1.183 550 D CA -0.636 53.573 54.000 0.348 0.000 0.844 550 D CB 1.033 42.009 40.800 0.292 0.000 1.555 550 D HN -0.078 nan 8.370 nan 0.000 0.453 551 Y N 1.857 122.187 120.300 0.050 0.000 2.274 551 Y HA -0.140 4.343 4.550 -0.112 0.000 0.290 551 Y C 2.052 177.911 175.900 -0.067 0.000 1.145 551 Y CA 2.321 60.241 58.100 -0.300 0.000 1.203 551 Y CB -0.139 37.984 38.460 -0.561 0.000 0.984 551 Y HN 0.412 nan 8.280 nan 0.000 0.533 552 S N -1.145 114.558 115.700 0.005 0.000 2.547 552 S HA -0.139 4.263 4.470 -0.114 0.000 0.235 552 S C 1.337 175.873 174.600 -0.107 0.000 0.980 552 S CA 1.179 59.344 58.200 -0.058 0.000 0.941 552 S CB -0.329 62.907 63.200 0.060 0.000 0.763 552 S HN 0.465 nan 8.310 nan 0.000 0.532 553 D N 1.358 121.724 120.400 -0.056 0.000 2.277 553 D HA 0.118 4.690 4.640 -0.114 0.000 0.208 553 D C 0.284 176.552 176.300 -0.053 0.000 0.962 553 D CA 0.167 54.191 54.000 0.040 0.000 0.865 553 D CB -0.220 40.709 40.800 0.216 0.000 0.939 553 D HN 0.264 nan 8.370 nan 0.000 0.510 554 V N 3.681 123.459 119.914 -0.228 0.000 2.540 554 V HA -0.026 4.026 4.120 -0.114 0.000 0.297 554 V C -0.910 174.959 176.094 -0.376 0.000 1.024 554 V CA -0.496 61.631 62.300 -0.288 0.000 1.105 554 V CB 1.132 32.634 31.823 -0.535 0.000 0.938 554 V HN 0.096 nan 8.190 nan 0.000 0.482 555 P HA -0.058 nan 4.420 nan 0.000 0.221 555 P C 0.781 177.925 177.300 -0.260 0.000 1.150 555 P CA 0.655 63.331 63.100 -0.706 0.000 0.800 555 P CB 0.143 31.122 31.700 -1.201 0.000 0.787 556 S N 0.773 116.334 115.700 -0.233 0.000 4.069 556 S HA 0.047 4.449 4.470 -0.114 0.000 0.192 556 S C 1.246 175.757 174.600 -0.149 0.000 1.441 556 S CA -1.040 57.031 58.200 -0.216 0.000 0.994 556 S CB -1.607 61.478 63.200 -0.191 0.000 1.456 556 S HN 0.354 nan 8.310 nan 0.000 0.458 557 W N 1.651 122.870 121.300 -0.136 0.000 2.465 557 W HA -0.102 4.488 4.660 -0.117 0.000 0.268 557 W C 1.093 177.645 176.519 0.055 0.000 1.242 557 W CA 1.033 58.338 57.345 -0.067 0.000 1.248 557 W CB -1.802 27.595 29.460 -0.105 0.000 1.118 557 W HN 0.608 nan 8.180 nan 0.000 0.587 558 T N -1.752 112.397 114.554 -0.675 0.000 2.962 558 T HA -0.124 4.158 4.350 -0.114 0.000 0.270 558 T C 0.726 175.366 174.700 -0.100 0.000 1.088 558 T CA -0.108 61.667 62.100 -0.542 0.000 1.127 558 T CB -1.041 67.399 68.868 -0.714 0.000 0.883 558 T HN 0.035 nan 8.240 nan 0.000 0.493 559 F N 4.998 124.865 119.950 -0.137 0.000 2.623 559 F HA 0.171 4.629 4.527 -0.115 0.000 0.386 559 F C -1.461 174.361 175.800 0.036 0.000 1.068 559 F CA -1.779 56.207 58.000 -0.024 0.000 1.265 559 F CB 0.895 39.907 39.000 0.020 0.000 1.026 559 F HN 0.032 nan 8.300 nan 0.000 0.568 560 P HA 0.318 nan 4.420 nan 0.000 0.259 560 P C 0.068 177.182 177.300 -0.311 0.000 1.530 560 P CA 0.665 63.345 63.100 -0.701 0.000 1.022 560 P CB 0.220 31.492 31.700 -0.713 0.000 1.514 561 G N 0.235 108.936 108.800 -0.165 0.000 2.409 561 G HA2 -0.074 3.817 3.960 -0.114 0.000 0.421 561 G HA3 -0.074 3.817 3.960 -0.114 0.000 0.421 561 G C -1.746 173.109 174.900 -0.075 0.000 1.259 561 G CA -0.779 44.250 45.100 -0.119 0.000 1.011 561 G HN 0.258 nan 8.290 nan 0.000 0.497 562 E N 0.624 120.785 120.200 -0.065 0.000 2.234 562 E HA 0.696 4.978 4.350 -0.114 0.000 0.266 562 E C -2.463 174.111 176.600 -0.042 0.000 0.877 562 E CA -1.766 54.611 56.400 -0.038 0.000 0.758 562 E CB 2.522 32.205 29.700 -0.028 0.000 1.170 562 E HN 0.398 nan 8.360 nan 0.000 0.415 563 P HA 0.120 nan 4.420 nan 0.000 0.278 563 P C 0.129 177.415 177.300 -0.023 0.000 1.238 563 P CA -0.354 62.736 63.100 -0.017 0.000 0.794 563 P CB 1.026 32.719 31.700 -0.012 0.000 0.955 564 K N 1.477 121.873 120.400 -0.007 0.000 2.089 564 K HA -0.270 3.982 4.320 -0.114 0.000 0.210 564 K C 1.161 177.749 176.600 -0.021 0.000 1.048 564 K CA 2.189 58.471 56.287 -0.009 0.000 0.926 564 K CB -0.342 32.172 32.500 0.024 0.000 0.714 564 K HN 0.382 nan 8.250 nan 0.000 0.448 565 D N -0.617 119.776 120.400 -0.012 0.000 2.347 565 D HA -0.050 4.522 4.640 -0.114 0.000 0.213 565 D C -0.272 176.013 176.300 -0.024 0.000 0.985 565 D CA 0.422 54.415 54.000 -0.012 0.000 0.879 565 D CB 0.229 41.028 40.800 -0.002 0.000 0.919 565 D HN 0.119 nan 8.370 nan 0.000 0.526 566 N N -0.364 118.316 118.700 -0.033 0.000 2.679 566 N HA 0.186 4.858 4.740 -0.114 0.000 0.240 566 N C -2.931 172.549 175.510 -0.050 0.000 1.537 566 N CA -1.263 51.763 53.050 -0.040 0.000 0.793 566 N CB 0.796 39.265 38.487 -0.030 0.000 1.391 566 N HN -0.188 nan 8.380 nan 0.000 0.524 567 P HA 0.154 nan 4.420 nan 0.000 0.267 567 P C 0.296 177.552 177.300 -0.074 0.000 1.209 567 P CA 0.064 63.118 63.100 -0.076 0.000 0.763 567 P CB 0.948 32.582 31.700 -0.110 0.000 0.816 568 Q N 2.063 121.822 119.800 -0.069 0.000 2.391 568 Q HA 0.059 4.330 4.340 -0.114 0.000 0.211 568 Q C 0.350 176.297 176.000 -0.090 0.000 0.908 568 Q CA 1.073 56.832 55.803 -0.073 0.000 0.920 568 Q CB 0.220 28.921 28.738 -0.063 0.000 1.056 568 Q HN 0.596 nan 8.270 nan 0.000 0.523 569 K N -1.670 118.676 120.400 -0.090 0.000 2.551 569 K HA 0.650 4.902 4.320 -0.114 0.000 0.269 569 K C -1.377 175.162 176.600 -0.102 0.000 0.949 569 K CA -0.902 55.323 56.287 -0.104 0.000 0.849 569 K CB 2.383 34.820 32.500 -0.104 0.000 1.411 569 K HN -0.162 nan 8.250 nan 0.000 0.432 570 V N 1.832 121.681 119.914 -0.108 0.000 2.733 570 V HA 0.571 4.623 4.120 -0.114 0.000 0.306 570 V C -1.702 174.346 176.094 -0.076 0.000 1.084 570 V CA -0.571 61.680 62.300 -0.082 0.000 0.905 570 V CB 2.016 33.816 31.823 -0.038 0.000 1.010 570 V HN 0.669 nan 8.190 nan 0.000 0.424 571 V N 7.482 127.351 119.914 -0.074 0.000 2.398 571 V HA 0.416 4.468 4.120 -0.114 0.000 0.286 571 V C -0.688 175.445 176.094 0.065 0.000 1.026 571 V CA -0.634 61.628 62.300 -0.064 0.000 0.868 571 V CB 1.599 33.363 31.823 -0.099 0.000 0.982 571 V HN 0.822 nan 8.190 nan 0.000 0.443 572 Y N 3.933 124.139 120.300 -0.156 0.000 2.623 572 Y HA 0.215 4.695 4.550 -0.117 0.000 0.341 572 Y C 1.705 177.553 175.900 -0.087 0.000 1.292 572 Y CA -0.783 57.245 58.100 -0.121 0.000 1.840 572 Y CB -0.676 37.745 38.460 -0.064 0.000 1.865 572 Y HN 0.673 nan 8.280 nan 0.000 0.440 573 E N 1.025 121.206 120.200 -0.031 0.000 2.118 573 E HA -0.212 4.070 4.350 -0.114 0.000 0.195 573 E C 1.844 178.501 176.600 0.095 0.000 0.992 573 E CA 1.269 57.681 56.400 0.019 0.000 0.804 573 E CB 0.170 29.876 29.700 0.011 0.000 0.741 573 E HN 0.699 nan 8.360 nan 0.000 0.458 574 E N 1.291 121.520 120.200 0.048 0.000 2.274 574 E HA -0.151 4.131 4.350 -0.114 0.000 0.194 574 E C 0.834 177.557 176.600 0.205 0.000 0.996 574 E CA 0.712 57.173 56.400 0.101 0.000 0.840 574 E CB -0.096 29.588 29.700 -0.027 0.000 0.772 574 E HN 0.115 nan 8.360 nan 0.000 0.491 575 D N 0.674 121.189 120.400 0.191 0.000 3.639 575 D HA -0.308 4.263 4.640 -0.114 0.000 0.162 575 D C 1.450 177.834 176.300 0.141 0.000 1.054 575 D CA 2.620 56.745 54.000 0.208 0.000 1.085 575 D CB -1.375 39.541 40.800 0.192 0.000 0.547 575 D HN 0.290 nan 8.370 nan 0.000 0.595 576 I N -1.369 119.187 120.570 -0.024 0.000 2.756 576 I HA -0.079 4.023 4.170 -0.114 0.000 0.262 576 I C 1.205 177.167 176.117 -0.258 0.000 1.225 576 I CA 0.709 61.892 61.300 -0.196 0.000 1.472 576 I CB -0.522 37.274 38.000 -0.339 0.000 1.094 576 I HN 0.176 nan 8.210 nan 0.000 0.454 577 Y N 2.399 122.782 120.300 0.139 0.000 2.623 577 Y HA 0.496 4.975 4.550 -0.119 0.000 0.341 577 Y C 0.173 176.151 175.900 0.130 0.000 1.292 577 Y CA -0.335 57.882 58.100 0.195 0.000 1.840 577 Y CB 0.050 38.756 38.460 0.409 0.000 1.865 577 Y HN 0.041 nan 8.280 nan 0.000 0.440 578 V N 0.798 120.778 119.914 0.110 0.000 2.914 578 V HA 0.872 4.924 4.120 -0.114 0.000 0.314 578 V C 0.565 176.695 176.094 0.060 0.000 1.084 578 V CA 0.122 62.458 62.300 0.059 0.000 0.963 578 V CB 1.384 33.212 31.823 0.009 0.000 1.025 578 V HN 0.768 nan 8.190 nan 0.000 0.432 579 G N 4.742 113.648 108.800 0.175 0.000 2.574 579 G HA2 -0.387 3.505 3.960 -0.114 0.000 0.282 579 G HA3 -0.387 3.505 3.960 -0.114 0.000 0.282 579 G C 0.431 175.594 174.900 0.439 0.000 1.257 579 G CA 1.486 46.777 45.100 0.318 0.000 0.956 579 G HN 2.100 nan 8.290 nan 0.000 0.560 580 Y N 0.473 120.966 120.300 0.321 0.000 2.403 580 Y HA 0.050 4.535 4.550 -0.110 0.000 0.291 580 Y C 2.845 178.926 175.900 0.301 0.000 1.143 580 Y CA 1.753 60.064 58.100 0.351 0.000 1.257 580 Y CB -0.564 38.012 38.460 0.192 0.000 0.984 580 Y HN 0.466 nan 8.280 nan 0.000 0.550 581 R N -0.689 119.571 120.500 -0.399 0.000 2.127 581 R HA -0.202 4.070 4.340 -0.114 0.000 0.238 581 R C 1.959 178.402 176.300 0.238 0.000 1.134 581 R CA 1.869 57.892 56.100 -0.130 0.000 0.975 581 R CB -0.670 29.514 30.300 -0.194 0.000 0.865 581 R HN 0.566 nan 8.270 nan 0.000 0.447 582 Y N -0.003 120.393 120.300 0.161 0.000 2.176 582 Y HA -0.197 4.283 4.550 -0.117 0.000 0.291 582 Y C 1.679 177.649 175.900 0.117 0.000 1.122 582 Y CA 1.221 59.435 58.100 0.190 0.000 1.128 582 Y CB -0.442 37.986 38.460 -0.054 0.000 1.005 582 Y HN -0.052 nan 8.280 nan 0.000 0.509 583 Y N 0.688 121.023 120.300 0.057 0.000 2.224 583 Y HA -0.227 4.256 4.550 -0.112 0.000 0.289 583 Y C 2.226 178.028 175.900 -0.163 0.000 1.146 583 Y CA 1.563 59.613 58.100 -0.084 0.000 1.182 583 Y CB -0.507 38.017 38.460 0.108 0.000 0.983 583 Y HN 0.183 nan 8.280 nan 0.000 0.524 584 D N -0.968 119.455 120.400 0.039 0.000 2.103 584 D HA -0.113 4.459 4.640 -0.114 0.000 0.199 584 D C 2.151 178.254 176.300 -0.327 0.000 0.978 584 D CA 1.850 55.728 54.000 -0.203 0.000 0.829 584 D CB -0.624 40.139 40.800 -0.062 0.000 0.981 584 D HN 0.239 nan 8.370 nan 0.000 0.464 585 T N -0.176 114.248 114.554 -0.217 0.000 2.777 585 T HA -0.067 4.214 4.350 -0.114 0.000 0.266 585 T C 1.295 175.553 174.700 -0.736 0.000 1.040 585 T CA 0.777 62.621 62.100 -0.427 0.000 1.141 585 T CB -0.226 68.317 68.868 -0.542 0.000 0.868 585 T HN 0.115 nan 8.240 nan 0.000 0.444 586 F N 0.425 120.154 119.950 -0.368 0.000 2.653 586 F HA 0.442 4.897 4.527 -0.120 0.000 0.304 586 F C 1.635 177.242 175.800 -0.322 0.000 1.092 586 F CA -0.413 57.358 58.000 -0.382 0.000 1.279 586 F CB 0.079 38.761 39.000 -0.530 0.000 1.044 586 F HN 0.230 nan 8.300 nan 0.000 0.564 587 G N 1.297 109.983 108.800 -0.191 0.000 2.198 587 G HA2 -0.239 3.653 3.960 -0.114 0.000 0.257 587 G HA3 -0.239 3.653 3.960 -0.114 0.000 0.257 587 G C -0.277 174.575 174.900 -0.081 0.000 1.042 587 G CA 0.027 45.045 45.100 -0.137 0.000 0.791 587 G HN 0.161 nan 8.290 nan 0.000 0.502 588 V N 0.166 120.032 119.914 -0.080 0.000 2.407 588 V HA 0.451 4.503 4.120 -0.114 0.000 0.278 588 V C 0.644 176.853 176.094 0.191 0.000 1.037 588 V CA -0.589 61.745 62.300 0.057 0.000 0.900 588 V CB 1.805 33.672 31.823 0.072 0.000 0.983 588 V HN 0.479 nan 8.190 nan 0.000 0.459 589 E N 7.665 127.936 120.200 0.118 0.000 2.194 589 E HA 0.334 4.616 4.350 -0.114 0.000 0.284 589 E C -2.325 174.302 176.600 0.047 0.000 1.035 589 E CA -1.627 54.805 56.400 0.053 0.000 0.836 589 E CB 1.298 30.993 29.700 -0.009 0.000 1.070 589 E HN 0.478 nan 8.360 nan 0.000 0.401 590 P HA 0.124 nan 4.420 nan 0.000 0.278 590 P C -0.263 176.935 177.300 -0.170 0.000 1.266 590 P CA -0.193 62.801 63.100 -0.177 0.000 0.807 590 P CB 1.411 32.910 31.700 -0.334 0.000 1.094 591 A N 0.574 123.290 122.820 -0.174 0.000 1.855 591 A HA -0.052 4.199 4.320 -0.114 0.000 0.215 591 A C 0.225 177.390 177.584 -0.699 0.000 1.191 591 A CA 1.606 53.409 52.037 -0.390 0.000 0.613 591 A CB -1.031 17.788 19.000 -0.302 0.000 0.829 591 A HN 0.594 nan 8.150 nan 0.000 0.442 592 Y N -0.199 119.997 120.300 -0.174 0.000 2.421 592 Y HA 0.396 4.877 4.550 -0.114 0.000 0.339 592 Y C -0.075 175.746 175.900 -0.132 0.000 0.996 592 Y CA -1.742 56.148 58.100 -0.350 0.000 1.046 592 Y CB 1.202 39.377 38.460 -0.475 0.000 1.226 592 Y HN 0.383 nan 8.280 nan 0.000 0.445 593 E N 2.840 123.058 120.200 0.030 0.000 2.314 593 E HA 0.149 4.431 4.350 -0.114 0.000 0.262 593 E C -0.640 176.123 176.600 0.272 0.000 1.093 593 E CA -0.682 55.792 56.400 0.123 0.000 0.908 593 E CB 1.214 30.960 29.700 0.078 0.000 1.091 593 E HN 0.563 nan 8.360 nan 0.000 0.425 594 F N 1.054 121.111 119.950 0.180 0.000 2.623 594 F HA 0.215 4.677 4.527 -0.109 0.000 0.383 594 F C 1.505 177.427 175.800 0.204 0.000 1.077 594 F CA 2.103 60.243 58.000 0.234 0.000 1.268 594 F CB 0.069 39.171 39.000 0.170 0.000 1.053 594 F HN 0.778 nan 8.300 nan 0.000 0.571 595 G N 3.889 112.472 108.800 -0.362 0.000 2.184 595 G HA2 -0.365 3.527 3.960 -0.114 0.000 0.264 595 G HA3 -0.365 3.527 3.960 -0.114 0.000 0.264 595 G C -0.159 174.620 174.900 -0.201 0.000 0.975 595 G CA 0.181 45.048 45.100 -0.388 0.000 0.642 595 G HN 1.015 nan 8.290 nan 0.000 0.536 596 Y N 1.203 121.418 120.300 -0.141 0.000 2.309 596 Y HA 0.502 4.983 4.550 -0.114 0.000 0.327 596 Y C 0.588 176.387 175.900 -0.169 0.000 1.172 596 Y CA 0.560 58.584 58.100 -0.127 0.000 1.280 596 Y CB 1.364 39.792 38.460 -0.053 0.000 1.234 596 Y HN 0.765 nan 8.280 nan 0.000 0.512 597 G N 6.164 114.417 108.800 -0.912 0.000 2.658 597 G HA2 0.382 4.274 3.960 -0.114 0.000 0.301 597 G HA3 0.382 4.274 3.960 -0.114 0.000 0.301 597 G C -2.092 172.414 174.900 -0.656 0.000 1.481 597 G CA -0.970 43.688 45.100 -0.737 0.000 0.931 597 G HN 0.793 nan 8.290 nan 0.000 0.573 598 L N 0.598 121.504 121.223 -0.529 0.000 2.416 598 L HA 0.883 5.155 4.340 -0.114 0.000 0.263 598 L C 0.712 177.468 176.870 -0.189 0.000 1.065 598 L CA -0.967 53.688 54.840 -0.307 0.000 0.798 598 L CB 1.918 43.845 42.059 -0.219 0.000 1.267 598 L HN 0.591 nan 8.230 nan 0.000 0.467 599 S N -2.008 113.642 115.700 -0.083 0.000 2.627 599 S HA 0.414 4.815 4.470 -0.114 0.000 0.283 599 S C -0.068 174.548 174.600 0.027 0.000 1.127 599 S CA -0.527 57.639 58.200 -0.057 0.000 0.863 599 S CB 0.964 64.249 63.200 0.141 0.000 1.121 599 S HN 0.395 nan 8.310 nan 0.000 0.479 600 Y N 1.320 121.611 120.300 -0.016 0.000 2.546 600 Y HA 0.262 4.744 4.550 -0.113 0.000 0.287 600 Y C 1.610 177.465 175.900 -0.074 0.000 1.158 600 Y CA 0.349 58.428 58.100 -0.036 0.000 1.307 600 Y CB -0.414 38.034 38.460 -0.022 0.000 1.036 600 Y HN 0.583 nan 8.280 nan 0.000 0.532 601 T N -0.945 113.613 114.554 0.008 0.000 2.858 601 T HA 0.574 4.856 4.350 -0.114 0.000 0.285 601 T C -0.252 174.260 174.700 -0.314 0.000 1.052 601 T CA -0.419 61.574 62.100 -0.178 0.000 1.009 601 T CB 1.423 70.121 68.868 -0.284 0.000 1.241 601 T HN 0.070 nan 8.240 nan 0.000 0.542 602 T N -0.092 114.210 114.554 -0.419 0.000 2.932 602 T HA 0.802 5.084 4.350 -0.114 0.000 0.289 602 T C -1.210 173.134 174.700 -0.595 0.000 1.039 602 T CA -0.633 61.263 62.100 -0.340 0.000 1.024 602 T CB 1.014 69.810 68.868 -0.120 0.000 1.090 602 T HN 0.384 nan 8.240 nan 0.000 0.496 603 F N 0.044 120.029 119.950 0.060 0.000 2.565 603 F HA 0.636 5.095 4.527 -0.113 0.000 0.313 603 F C 0.025 175.907 175.800 0.136 0.000 1.091 603 F CA -0.989 57.053 58.000 0.070 0.000 0.915 603 F CB 2.369 41.407 39.000 0.063 0.000 1.208 603 F HN 0.609 nan 8.300 nan 0.000 0.453 604 E N 2.022 122.389 120.200 0.279 0.000 2.158 604 E HA 0.373 4.655 4.350 -0.114 0.000 0.271 604 E C -1.778 174.981 176.600 0.264 0.000 0.911 604 E CA -0.469 56.084 56.400 0.256 0.000 0.767 604 E CB 0.824 30.609 29.700 0.142 0.000 1.120 604 E HN 0.469 nan 8.360 nan 0.000 0.405 605 Y N 2.658 123.010 120.300 0.087 0.000 2.310 605 Y HA 0.472 4.954 4.550 -0.114 0.000 0.326 605 Y C 0.766 176.707 175.900 0.068 0.000 1.151 605 Y CA -0.156 57.992 58.100 0.079 0.000 1.195 605 Y CB 1.560 40.027 38.460 0.011 0.000 1.210 605 Y HN 0.659 nan 8.280 nan 0.000 0.483 606 S N -0.159 115.670 115.700 0.214 0.000 2.661 606 S HA 0.364 4.766 4.470 -0.114 0.000 0.268 606 S C -1.256 173.432 174.600 0.145 0.000 1.162 606 S CA -0.990 57.300 58.200 0.150 0.000 0.817 606 S CB 1.612 64.875 63.200 0.105 0.000 1.141 606 S HN 0.696 nan 8.310 nan 0.000 0.477 607 D N -0.226 120.238 120.400 0.106 0.000 2.746 607 D HA -0.121 4.451 4.640 -0.114 0.000 0.236 607 D C -0.379 175.992 176.300 0.119 0.000 1.129 607 D CA 0.858 54.912 54.000 0.090 0.000 0.691 607 D CB -1.585 39.254 40.800 0.065 0.000 1.077 607 D HN 0.701 nan 8.370 nan 0.000 0.432 608 L N 0.837 122.140 121.223 0.133 0.000 2.513 608 L HA 0.242 4.514 4.340 -0.114 0.000 0.272 608 L C 0.254 177.191 176.870 0.111 0.000 1.187 608 L CA 0.482 55.412 54.840 0.152 0.000 0.895 608 L CB 0.507 42.634 42.059 0.115 0.000 1.147 608 L HN 0.114 nan 8.230 nan 0.000 0.483 609 N N 4.304 123.071 118.700 0.112 0.000 2.410 609 N HA 0.391 5.063 4.740 -0.114 0.000 0.287 609 N C -1.831 173.725 175.510 0.077 0.000 1.044 609 N CA -0.378 52.718 53.050 0.078 0.000 0.881 609 N CB 1.996 40.512 38.487 0.048 0.000 1.405 609 N HN 0.406 nan 8.380 nan 0.000 0.490 610 V N 2.285 122.246 119.914 0.079 0.000 2.448 610 V HA 0.566 4.618 4.120 -0.114 0.000 0.295 610 V C -0.260 175.872 176.094 0.063 0.000 1.025 610 V CA -0.547 61.795 62.300 0.071 0.000 0.859 610 V CB 1.476 33.371 31.823 0.120 0.000 0.988 610 V HN 0.792 nan 8.190 nan 0.000 0.431 611 S N 4.379 120.092 115.700 0.022 0.000 2.540 611 S HA 0.806 5.208 4.470 -0.114 0.000 0.275 611 S C -1.312 173.310 174.600 0.037 0.000 1.123 611 S CA -0.630 57.596 58.200 0.043 0.000 0.907 611 S CB 2.123 65.334 63.200 0.018 0.000 1.081 611 S HN 0.625 nan 8.310 nan 0.000 0.476 612 F N 3.266 123.154 119.950 -0.103 0.000 2.539 612 F HA 0.467 4.927 4.527 -0.112 0.000 0.328 612 F C 0.051 175.824 175.800 -0.045 0.000 1.148 612 F CA -1.251 56.664 58.000 -0.143 0.000 0.940 612 F CB 1.801 40.706 39.000 -0.159 0.000 1.194 612 F HN 0.782 nan 8.300 nan 0.000 0.438 613 D N 2.470 122.551 120.400 -0.530 0.000 2.339 613 D HA 0.249 4.820 4.640 -0.114 0.000 0.217 613 D C 1.569 177.477 176.300 -0.654 0.000 1.050 613 D CA 0.719 54.459 54.000 -0.433 0.000 0.856 613 D CB 0.271 40.916 40.800 -0.259 0.000 0.922 613 D HN 0.908 nan 8.370 nan 0.000 0.518 614 G N 0.229 108.124 108.800 -1.509 0.000 2.213 614 G HA2 -0.306 3.586 3.960 -0.114 0.000 0.226 614 G HA3 -0.306 3.586 3.960 -0.114 0.000 0.226 614 G C 0.924 175.419 174.900 -0.674 0.000 0.992 614 G CA 0.343 44.748 45.100 -1.159 0.000 0.632 614 G HN 0.413 nan 8.290 nan 0.000 0.511 615 E N -0.555 119.306 120.200 -0.564 0.000 2.535 615 E HA 0.323 4.605 4.350 -0.114 0.000 0.216 615 E C 0.323 176.890 176.600 -0.055 0.000 0.845 615 E CA 1.198 57.508 56.400 -0.150 0.000 1.306 615 E CB 1.046 30.683 29.700 -0.106 0.000 1.291 615 E HN 0.318 nan 8.360 nan 0.000 0.635 616 T N 0.683 115.149 114.554 -0.147 0.000 2.921 616 T HA 0.422 4.704 4.350 -0.114 0.000 0.297 616 T C -1.538 173.201 174.700 0.065 0.000 1.013 616 T CA -0.624 61.464 62.100 -0.020 0.000 0.990 616 T CB 1.475 70.301 68.868 -0.070 0.000 1.023 616 T HN 0.069 nan 8.240 nan 0.000 0.447 617 L N 3.597 124.874 121.223 0.091 0.000 2.265 617 L HA 0.612 4.884 4.340 -0.114 0.000 0.288 617 L C 0.120 176.932 176.870 -0.098 0.000 1.058 617 L CA -0.260 54.543 54.840 -0.061 0.000 0.809 617 L CB 0.511 42.348 42.059 -0.370 0.000 1.179 617 L HN 0.563 nan 8.230 nan 0.000 0.429 618 R N 4.604 125.050 120.500 -0.089 0.000 2.343 618 R HA 0.674 4.946 4.340 -0.114 0.000 0.320 618 R C -1.782 174.491 176.300 -0.044 0.000 0.956 618 R CA -0.594 55.468 56.100 -0.064 0.000 0.836 618 R CB 1.260 31.528 30.300 -0.054 0.000 1.151 618 R HN 0.576 nan 8.270 nan 0.000 0.450 619 V N 4.866 124.769 119.914 -0.019 0.000 2.409 619 V HA 0.353 4.404 4.120 -0.114 0.000 0.291 619 V C -0.358 175.762 176.094 0.042 0.000 1.020 619 V CA -0.660 61.675 62.300 0.057 0.000 0.848 619 V CB 1.416 33.312 31.823 0.122 0.000 0.990 619 V HN 0.726 nan 8.190 nan 0.000 0.430 620 Q N 4.557 124.399 119.800 0.069 0.000 2.397 620 Q HA 0.673 4.945 4.340 -0.114 0.000 0.275 620 Q C -1.992 174.071 176.000 0.105 0.000 1.090 620 Q CA -0.527 55.240 55.803 -0.061 0.000 0.809 620 Q CB 3.128 31.820 28.738 -0.077 0.000 1.362 620 Q HN 0.825 nan 8.270 nan 0.000 0.431 621 Y N -0.743 119.524 120.300 -0.055 0.000 2.788 621 Y HA 0.611 5.092 4.550 -0.114 0.000 0.335 621 Y C -1.680 174.175 175.900 -0.075 0.000 1.287 621 Y CA -1.286 56.795 58.100 -0.031 0.000 1.068 621 Y CB 1.119 39.592 38.460 0.021 0.000 1.340 621 Y HN 0.639 nan 8.280 nan 0.000 0.449 622 R N 1.230 121.806 120.500 0.126 0.000 2.670 622 R HA 0.810 5.082 4.340 -0.114 0.000 0.289 622 R C -1.992 174.308 176.300 -0.000 0.000 0.965 622 R CA -0.730 55.370 56.100 0.000 0.000 0.899 622 R CB 1.557 31.862 30.300 0.009 0.000 1.173 622 R HN 0.838 nan 8.270 nan 0.000 0.456 623 I N 2.715 123.229 120.570 -0.094 0.000 2.436 623 I HA 0.306 4.408 4.170 -0.114 0.000 0.289 623 I C -0.500 175.610 176.117 -0.011 0.000 1.010 623 I CA -0.576 60.634 61.300 -0.151 0.000 1.098 623 I CB 2.025 39.823 38.000 -0.337 0.000 1.266 623 I HN 0.614 nan 8.210 nan 0.000 0.434 624 E N 5.717 125.957 120.200 0.065 0.000 2.199 624 E HA 0.223 4.505 4.350 -0.114 0.000 0.269 624 E C -0.824 175.875 176.600 0.164 0.000 0.899 624 E CA -0.828 55.630 56.400 0.097 0.000 0.772 624 E CB 1.505 31.241 29.700 0.059 0.000 1.155 624 E HN 0.472 nan 8.360 nan 0.000 0.408 625 N N 2.844 121.621 118.700 0.129 0.000 2.402 625 N HA -0.004 4.668 4.740 -0.114 0.000 0.259 625 N C 0.126 175.584 175.510 -0.087 0.000 1.167 625 N CA 0.211 53.241 53.050 -0.033 0.000 0.949 625 N CB 0.807 39.283 38.487 -0.017 0.000 1.212 625 N HN 0.545 nan 8.380 nan 0.000 0.493 626 T N -0.158 114.320 114.554 -0.127 0.000 3.122 626 T HA 0.300 4.582 4.350 -0.114 0.000 0.250 626 T C 0.955 175.592 174.700 -0.105 0.000 1.067 626 T CA -0.345 61.709 62.100 -0.078 0.000 0.966 626 T CB 0.131 68.979 68.868 -0.034 0.000 1.002 626 T HN 0.297 nan 8.240 nan 0.000 0.542 627 G N 0.191 108.888 108.800 -0.172 0.000 2.606 627 G HA2 0.541 4.432 3.960 -0.114 0.000 0.262 627 G HA3 0.541 4.432 3.960 -0.114 0.000 0.262 627 G C 0.644 175.487 174.900 -0.094 0.000 1.394 627 G CA -0.460 44.555 45.100 -0.142 0.000 1.044 627 G HN 0.273 nan 8.290 nan 0.000 0.553 628 G N -1.268 107.490 108.800 -0.071 0.000 3.324 628 G HA2 0.388 4.280 3.960 -0.114 0.000 0.251 628 G HA3 0.388 4.280 3.960 -0.114 0.000 0.251 628 G C 0.491 175.374 174.900 -0.029 0.000 1.072 628 G CA -0.312 44.762 45.100 -0.043 0.000 0.787 628 G HN 0.409 nan 8.290 nan 0.000 0.537 629 R N -0.010 120.471 120.500 -0.033 0.000 2.621 629 R HA 0.618 4.890 4.340 -0.114 0.000 0.284 629 R C -0.221 176.079 176.300 0.001 0.000 0.998 629 R CA -0.756 55.346 56.100 0.003 0.000 0.895 629 R CB 2.015 32.342 30.300 0.044 0.000 1.195 629 R HN 0.113 nan 8.270 nan 0.000 0.450 630 A N 1.341 124.179 122.820 0.030 0.000 2.507 630 A HA 0.556 4.808 4.320 -0.114 0.000 0.235 630 A C 0.368 178.002 177.584 0.083 0.000 1.070 630 A CA 0.845 52.912 52.037 0.051 0.000 0.768 630 A CB 0.223 19.256 19.000 0.056 0.000 1.011 630 A HN 0.858 nan 8.150 nan 0.000 0.502 631 G N 0.461 109.347 108.800 0.142 0.000 2.489 631 G HA2 0.497 4.389 3.960 -0.114 0.000 0.291 631 G HA3 0.497 4.389 3.960 -0.114 0.000 0.291 631 G C -1.373 173.709 174.900 0.303 0.000 1.487 631 G CA -0.915 44.318 45.100 0.221 0.000 0.795 631 G HN 0.724 nan 8.290 nan 0.000 0.513 632 K N -0.140 120.367 120.400 0.178 0.000 2.156 632 K HA 0.601 4.853 4.320 -0.114 0.000 0.254 632 K C -0.972 175.471 176.600 -0.262 0.000 0.950 632 K CA -0.746 55.538 56.287 -0.004 0.000 0.849 632 K CB 2.398 34.881 32.500 -0.028 0.000 1.100 632 K HN 0.478 nan 8.250 nan 0.000 0.434 633 E N 1.680 121.546 120.200 -0.556 0.000 2.199 633 E HA 0.201 4.483 4.350 -0.114 0.000 0.265 633 E C -1.525 174.856 176.600 -0.365 0.000 0.882 633 E CA -0.727 55.194 56.400 -0.797 0.000 0.759 633 E CB 1.547 30.335 29.700 -1.521 0.000 1.148 633 E HN 0.196 nan 8.360 nan 0.000 0.412 634 V N 4.680 124.420 119.914 -0.290 0.000 2.432 634 V HA 0.396 4.447 4.120 -0.114 0.000 0.271 634 V C -0.107 175.888 176.094 -0.165 0.000 1.046 634 V CA -0.157 62.009 62.300 -0.223 0.000 0.945 634 V CB 0.880 32.453 31.823 -0.416 0.000 0.992 634 V HN 0.787 nan 8.190 nan 0.000 0.471 635 S N 4.914 120.623 115.700 0.015 0.000 2.537 635 S HA 0.788 5.190 4.470 -0.114 0.000 0.301 635 S C -0.858 173.809 174.600 0.111 0.000 1.092 635 S CA -0.928 57.364 58.200 0.153 0.000 1.048 635 S CB 1.928 65.348 63.200 0.366 0.000 1.053 635 S HN 0.679 nan 8.310 nan 0.000 0.501 636 Q N 1.130 120.957 119.800 0.044 0.000 2.337 636 Q HA 0.600 4.872 4.340 -0.114 0.000 0.270 636 Q C -1.488 174.490 176.000 -0.037 0.000 1.043 636 Q CA -0.885 54.903 55.803 -0.026 0.000 0.794 636 Q CB 2.449 31.083 28.738 -0.173 0.000 1.281 636 Q HN 0.603 nan 8.270 nan 0.000 0.446 637 V N 3.318 123.196 119.914 -0.059 0.000 2.311 637 V HA 0.327 4.379 4.120 -0.114 0.000 0.275 637 V C -1.112 174.914 176.094 -0.114 0.000 1.022 637 V CA -0.665 61.630 62.300 -0.007 0.000 0.830 637 V CB -0.215 31.663 31.823 0.092 0.000 1.012 637 V HN 0.636 nan 8.190 nan 0.000 0.452 638 Y N 4.669 125.065 120.300 0.160 0.000 2.323 638 Y HA 0.575 5.055 4.550 -0.116 0.000 0.331 638 Y C 0.272 176.270 175.900 0.164 0.000 1.092 638 Y CA -1.013 57.198 58.100 0.185 0.000 1.150 638 Y CB 1.312 39.886 38.460 0.190 0.000 1.200 638 Y HN 0.354 nan 8.280 nan 0.000 0.472 639 I N 3.330 124.087 120.570 0.312 0.000 2.354 639 I HA 0.245 4.347 4.170 -0.114 0.000 0.292 639 I C -0.238 175.999 176.117 0.200 0.000 0.989 639 I CA -1.209 60.253 61.300 0.270 0.000 1.188 639 I CB 1.502 39.680 38.000 0.297 0.000 1.342 639 I HN 0.558 nan 8.210 nan 0.000 0.457 640 K N 5.486 125.938 120.400 0.088 0.000 2.292 640 K HA 0.656 4.908 4.320 -0.114 0.000 0.270 640 K C -0.348 176.169 176.600 -0.138 0.000 1.062 640 K CA -0.386 55.849 56.287 -0.086 0.000 0.916 640 K CB 1.019 33.359 32.500 -0.265 0.000 1.166 640 K HN 0.776 nan 8.250 nan 0.000 0.458 641 A N 5.387 128.117 122.820 -0.150 0.000 2.351 641 A HA 0.438 4.690 4.320 -0.114 0.000 0.257 641 A C -2.205 175.100 177.584 -0.465 0.000 1.087 641 A CA -1.350 50.430 52.037 -0.429 0.000 0.798 641 A CB -0.121 18.773 19.000 -0.177 0.000 1.033 641 A HN 0.667 nan 8.150 nan 0.000 0.488 642 P HA 0.123 nan 4.420 nan 0.000 0.272 642 P C 0.185 177.341 177.300 -0.241 0.000 1.230 642 P CA -0.335 62.527 63.100 -0.397 0.000 0.788 642 P CB 0.636 32.088 31.700 -0.414 0.000 0.949 643 K N 1.139 121.443 120.400 -0.160 0.000 2.025 643 K HA -0.052 4.199 4.320 -0.114 0.000 0.207 643 K C 1.738 178.296 176.600 -0.071 0.000 1.049 643 K CA 1.484 57.714 56.287 -0.095 0.000 0.933 643 K CB -1.363 31.095 32.500 -0.071 0.000 0.714 643 K HN 0.840 nan 8.250 nan 0.000 0.438 644 G N 1.413 110.167 108.800 -0.076 0.000 2.690 644 G HA2 -0.438 3.454 3.960 -0.114 0.000 0.334 644 G HA3 -0.438 3.454 3.960 -0.114 0.000 0.334 644 G C 1.060 175.946 174.900 -0.024 0.000 1.250 644 G CA 1.289 46.359 45.100 -0.050 0.000 0.994 644 G HN 0.367 nan 8.290 nan 0.000 0.549 645 K N -0.673 119.721 120.400 -0.010 0.000 2.190 645 K HA 0.467 4.719 4.320 -0.114 0.000 0.202 645 K C 1.377 177.980 176.600 0.006 0.000 1.045 645 K CA 0.624 56.910 56.287 -0.001 0.000 0.976 645 K CB 0.595 33.096 32.500 0.003 0.000 0.849 645 K HN 0.437 nan 8.250 nan 0.000 0.468 646 I N 1.970 122.548 120.570 0.013 0.000 2.797 646 I HA 0.081 4.183 4.170 -0.114 0.000 0.307 646 I C -1.045 175.100 176.117 0.047 0.000 1.033 646 I CA -1.183 60.134 61.300 0.028 0.000 1.071 646 I CB 1.452 39.466 38.000 0.025 0.000 1.255 646 I HN 0.172 nan 8.210 nan 0.000 0.445 647 D N 6.190 126.637 120.400 0.079 0.000 2.443 647 D HA 0.137 4.708 4.640 -0.114 0.000 0.239 647 D C -1.163 175.229 176.300 0.154 0.000 1.136 647 D CA 0.202 54.278 54.000 0.127 0.000 0.879 647 D CB 0.955 41.871 40.800 0.194 0.000 1.195 647 D HN 0.418 nan 8.370 nan 0.000 0.443 648 K N 1.840 122.336 120.400 0.161 0.000 2.512 648 K HA 0.440 4.692 4.320 -0.114 0.000 0.263 648 K C -2.774 173.957 176.600 0.217 0.000 0.966 648 K CA -1.836 54.536 56.287 0.143 0.000 0.851 648 K CB 2.064 34.607 32.500 0.073 0.000 1.395 648 K HN 0.206 nan 8.250 nan 0.000 0.440 649 P HA 0.011 nan 4.420 nan 0.000 0.271 649 P C 0.242 177.656 177.300 0.189 0.000 1.233 649 P CA -0.328 62.937 63.100 0.274 0.000 0.789 649 P CB 0.336 32.130 31.700 0.156 0.000 0.951 650 F N 0.568 120.540 119.950 0.036 0.000 2.087 650 F HA -0.216 4.242 4.527 -0.115 0.000 0.299 650 F C 1.047 176.883 175.800 0.062 0.000 1.100 650 F CA 1.811 59.815 58.000 0.005 0.000 1.226 650 F CB 0.106 39.092 39.000 -0.024 0.000 0.983 650 F HN 0.404 nan 8.300 nan 0.000 0.479 651 Q N -0.527 119.432 119.800 0.266 0.000 2.534 651 Q HA 0.469 4.741 4.340 -0.114 0.000 0.290 651 Q C -1.724 174.519 176.000 0.404 0.000 0.991 651 Q CA -1.031 54.913 55.803 0.234 0.000 0.783 651 Q CB 2.048 30.953 28.738 0.279 0.000 1.470 651 Q HN 0.320 nan 8.270 nan 0.000 0.406 652 E N 1.039 121.500 120.200 0.436 0.000 2.290 652 E HA 0.319 4.601 4.350 -0.114 0.000 0.274 652 E C -1.358 175.537 176.600 0.493 0.000 0.889 652 E CA -0.973 55.717 56.400 0.483 0.000 0.760 652 E CB 2.622 32.490 29.700 0.281 0.000 1.206 652 E HN 0.530 nan 8.360 nan 0.000 0.419 653 L N 3.314 124.849 121.223 0.520 0.000 2.513 653 L HA 0.009 4.281 4.340 -0.114 0.000 0.272 653 L C 0.492 177.459 176.870 0.162 0.000 1.187 653 L CA 0.812 55.730 54.840 0.130 0.000 0.895 653 L CB 0.209 42.377 42.059 0.183 0.000 1.147 653 L HN 0.476 nan 8.230 nan 0.000 0.483 654 K N 4.272 124.733 120.400 0.103 0.000 2.474 654 K HA 0.503 4.755 4.320 -0.114 0.000 0.204 654 K C -0.201 176.448 176.600 0.082 0.000 1.220 654 K CA 0.602 56.949 56.287 0.101 0.000 0.966 654 K CB 0.880 33.435 32.500 0.092 0.000 1.049 654 K HN 0.644 nan 8.250 nan 0.000 0.554 655 A N 0.913 123.794 122.820 0.102 0.000 2.609 655 A HA 0.771 5.023 4.320 -0.114 0.000 0.291 655 A C -1.504 176.221 177.584 0.236 0.000 1.096 655 A CA -0.785 51.297 52.037 0.076 0.000 0.684 655 A CB 1.011 20.014 19.000 0.004 0.000 1.282 655 A HN 0.116 nan 8.150 nan 0.000 0.412 656 F N -1.569 118.457 119.950 0.127 0.000 2.713 656 F HA 0.884 5.341 4.527 -0.115 0.000 0.311 656 F C -1.030 174.900 175.800 0.218 0.000 1.141 656 F CA -0.599 57.517 58.000 0.193 0.000 0.939 656 F CB 1.011 40.233 39.000 0.370 0.000 1.325 656 F HN 0.990 nan 8.300 nan 0.000 0.453 657 H N 0.379 119.616 119.070 0.278 0.000 3.042 657 H HA 0.598 5.085 4.556 -0.114 0.000 0.346 657 H C -2.042 173.363 175.328 0.129 0.000 1.294 657 H CA -0.933 55.178 56.048 0.105 0.000 1.141 657 H CB 2.292 32.059 29.762 0.009 0.000 1.872 657 H HN 0.911 nan 8.280 nan 0.000 0.541 658 K N 2.514 122.692 120.400 -0.370 0.000 2.507 658 K HA 0.318 4.570 4.320 -0.114 0.000 0.251 658 K C -0.763 175.674 176.600 -0.271 0.000 0.943 658 K CA -0.564 55.616 56.287 -0.178 0.000 0.794 658 K CB 1.400 33.858 32.500 -0.071 0.000 1.188 658 K HN 0.778 nan 8.250 nan 0.000 0.428 659 T N 0.785 115.301 114.554 -0.064 0.000 2.802 659 T HA 0.141 4.423 4.350 -0.114 0.000 0.305 659 T C 0.640 175.317 174.700 -0.039 0.000 1.053 659 T CA -0.487 61.611 62.100 -0.005 0.000 1.058 659 T CB 0.450 69.291 68.868 -0.046 0.000 0.988 659 T HN 0.758 nan 8.240 nan 0.000 0.539 660 R N 0.541 121.040 120.500 -0.003 0.000 2.840 660 R HA 0.339 4.611 4.340 -0.114 0.000 0.282 660 R C 0.042 176.355 176.300 0.022 0.000 1.133 660 R CA -0.979 55.123 56.100 0.003 0.000 1.208 660 R CB -0.160 30.148 30.300 0.012 0.000 1.160 660 R HN 0.536 nan 8.270 nan 0.000 0.576 661 L N 1.731 122.975 121.223 0.035 0.000 2.515 661 L HA 0.171 4.443 4.340 -0.114 0.000 0.281 661 L C -0.830 176.083 176.870 0.071 0.000 1.131 661 L CA 0.470 55.345 54.840 0.059 0.000 0.905 661 L CB -0.095 41.997 42.059 0.055 0.000 1.246 661 L HN 0.428 nan 8.230 nan 0.000 0.463 662 L N 5.439 126.727 121.223 0.109 0.000 2.305 662 L HA 0.345 4.617 4.340 -0.114 0.000 0.281 662 L C 0.485 177.409 176.870 0.090 0.000 1.085 662 L CA -0.464 54.441 54.840 0.109 0.000 0.813 662 L CB 0.564 42.723 42.059 0.168 0.000 1.157 662 L HN 0.612 nan 8.230 nan 0.000 0.436 663 N N 3.401 122.134 118.700 0.055 0.000 2.467 663 N HA 0.227 4.899 4.740 -0.114 0.000 0.262 663 N C -2.396 173.125 175.510 0.018 0.000 1.234 663 N CA -1.375 51.695 53.050 0.034 0.000 0.952 663 N CB 0.463 38.965 38.487 0.025 0.000 1.158 663 N HN 0.248 nan 8.380 nan 0.000 0.463 664 P HA -0.033 nan 4.420 nan 0.000 0.260 664 P C 0.831 178.127 177.300 -0.008 0.000 1.172 664 P CA 1.059 64.147 63.100 -0.021 0.000 0.760 664 P CB 0.050 31.738 31.700 -0.020 0.000 0.773 665 G N 2.143 110.937 108.800 -0.009 0.000 2.253 665 G HA2 -0.248 3.644 3.960 -0.114 0.000 0.251 665 G HA3 -0.248 3.644 3.960 -0.114 0.000 0.251 665 G C 0.210 175.118 174.900 0.013 0.000 0.998 665 G CA -0.291 44.810 45.100 0.001 0.000 0.621 665 G HN 0.538 nan 8.290 nan 0.000 0.524 666 E N 1.139 121.352 120.200 0.021 0.000 2.390 666 E HA 0.502 4.784 4.350 -0.114 0.000 0.261 666 E C 0.506 177.131 176.600 0.041 0.000 1.076 666 E CA 0.621 57.038 56.400 0.029 0.000 0.905 666 E CB 0.987 30.708 29.700 0.035 0.000 0.984 666 E HN 0.599 nan 8.360 nan 0.000 0.427 667 S N 1.457 117.174 115.700 0.028 0.000 2.661 667 S HA 0.549 4.950 4.470 -0.114 0.000 0.285 667 S C -0.825 173.775 174.600 0.000 0.000 1.138 667 S CA -0.988 57.226 58.200 0.023 0.000 0.855 667 S CB 2.342 65.551 63.200 0.014 0.000 1.136 667 S HN 0.557 nan 8.310 nan 0.000 0.484 668 E N -0.049 120.136 120.200 -0.026 0.000 2.292 668 E HA 0.350 4.632 4.350 -0.114 0.000 0.272 668 E C -1.482 175.049 176.600 -0.115 0.000 0.881 668 E CA -0.439 55.929 56.400 -0.054 0.000 0.754 668 E CB 1.936 31.616 29.700 -0.034 0.000 1.201 668 E HN 0.746 nan 8.360 nan 0.000 0.425 669 E N 3.270 123.391 120.200 -0.131 0.000 2.167 669 E HA 0.294 4.576 4.350 -0.114 0.000 0.284 669 E C -1.161 175.243 176.600 -0.326 0.000 1.016 669 E CA -0.668 55.615 56.400 -0.196 0.000 0.817 669 E CB 1.209 30.827 29.700 -0.136 0.000 1.080 669 E HN 0.263 nan 8.360 nan 0.000 0.397 670 V N 5.016 124.598 119.914 -0.553 0.000 2.439 670 V HA 0.322 4.374 4.120 -0.114 0.000 0.282 670 V C -0.337 175.358 176.094 -0.664 0.000 1.039 670 V CA -0.716 61.081 62.300 -0.839 0.000 0.913 670 V CB 1.540 32.554 31.823 -1.348 0.000 0.983 670 V HN 0.480 nan 8.190 nan 0.000 0.460 671 V N 6.647 126.280 119.914 -0.468 0.000 2.447 671 V HA 0.513 4.565 4.120 -0.114 0.000 0.292 671 V C -0.470 175.499 176.094 -0.209 0.000 1.021 671 V CA -0.337 61.794 62.300 -0.281 0.000 0.850 671 V CB 1.551 33.265 31.823 -0.181 0.000 1.005 671 V HN 0.663 nan 8.190 nan 0.000 0.426 672 L N 4.150 125.280 121.223 -0.156 0.000 2.362 672 L HA 0.700 4.972 4.340 -0.114 0.000 0.271 672 L C -0.228 176.599 176.870 -0.073 0.000 1.002 672 L CA -0.517 54.266 54.840 -0.095 0.000 0.818 672 L CB 2.543 44.574 42.059 -0.047 0.000 1.298 672 L HN 0.558 nan 8.230 nan 0.000 0.420 673 E N 3.063 123.218 120.200 -0.076 0.000 2.238 673 E HA 0.632 4.914 4.350 -0.114 0.000 0.267 673 E C -1.293 175.265 176.600 -0.070 0.000 0.887 673 E CA -0.629 55.728 56.400 -0.071 0.000 0.769 673 E CB 3.121 32.778 29.700 -0.072 0.000 1.187 673 E HN 0.388 nan 8.360 nan 0.000 0.416 674 I N 3.626 124.158 120.570 -0.064 0.000 2.439 674 I HA 0.283 4.385 4.170 -0.114 0.000 0.285 674 I C -2.454 173.637 176.117 -0.043 0.000 1.021 674 I CA -2.481 58.783 61.300 -0.060 0.000 1.091 674 I CB 1.892 39.858 38.000 -0.056 0.000 1.242 674 I HN 0.186 nan 8.210 nan 0.000 0.439 675 P HA -0.009 nan 4.420 nan 0.000 0.268 675 P C 0.891 178.192 177.300 0.002 0.000 1.205 675 P CA -0.048 63.030 63.100 -0.037 0.000 0.771 675 P CB 1.118 32.763 31.700 -0.091 0.000 0.858 676 V N 4.390 124.361 119.914 0.095 0.000 2.392 676 V HA -0.286 3.766 4.120 -0.114 0.000 0.249 676 V C 2.367 178.520 176.094 0.098 0.000 1.059 676 V CA 2.047 64.451 62.300 0.174 0.000 1.051 676 V CB -0.809 31.226 31.823 0.353 0.000 0.658 676 V HN 0.571 nan 8.190 nan 0.000 0.455 677 R N -0.306 120.182 120.500 -0.019 0.000 2.139 677 R HA -0.207 4.064 4.340 -0.114 0.000 0.243 677 R C 1.803 177.969 176.300 -0.224 0.000 1.145 677 R CA 2.225 58.171 56.100 -0.258 0.000 0.976 677 R CB -0.438 29.471 30.300 -0.652 0.000 0.866 677 R HN 0.568 nan 8.270 nan 0.000 0.449 678 D N 0.387 120.687 120.400 -0.166 0.000 2.310 678 D HA -0.101 4.471 4.640 -0.114 0.000 0.212 678 D C 1.545 177.832 176.300 -0.021 0.000 0.965 678 D CA 0.785 54.700 54.000 -0.141 0.000 0.879 678 D CB 0.041 40.779 40.800 -0.103 0.000 0.921 678 D HN 0.336 nan 8.370 nan 0.000 0.510 679 L N -0.054 121.193 121.223 0.040 0.000 2.554 679 L HA 0.162 4.433 4.340 -0.114 0.000 0.226 679 L C 1.186 178.199 176.870 0.237 0.000 1.137 679 L CA -0.275 54.644 54.840 0.131 0.000 0.863 679 L CB -0.318 41.770 42.059 0.047 0.000 0.985 679 L HN -0.096 nan 8.230 nan 0.000 0.451 680 A N -0.150 122.818 122.820 0.247 0.000 2.366 680 A HA 0.449 4.700 4.320 -0.114 0.000 0.249 680 A C 0.307 178.224 177.584 0.554 0.000 1.084 680 A CA 0.001 52.297 52.037 0.431 0.000 0.794 680 A CB 0.394 19.737 19.000 0.572 0.000 1.034 680 A HN 0.162 nan 8.150 nan 0.000 0.491 681 S N -0.502 115.508 115.700 0.516 0.000 2.568 681 S HA 0.583 4.985 4.470 -0.114 0.000 0.302 681 S C -0.880 173.903 174.600 0.305 0.000 1.082 681 S CA -0.278 58.176 58.200 0.423 0.000 1.009 681 S CB 1.092 64.426 63.200 0.223 0.000 1.069 681 S HN 0.551 nan 8.310 nan 0.000 0.500 682 F N 3.688 123.511 119.950 -0.211 0.000 2.405 682 F HA 0.325 4.852 4.527 0.000 0.000 0.355 682 F C 1.160 176.827 175.800 -0.222 0.000 1.121 682 F CA -0.672 57.012 58.000 -0.527 0.000 1.112 682 F CB 0.747 39.108 39.000 -1.064 0.000 1.126 682 F HN 0.665 nan 8.300 nan 0.000 0.481 683 N N 3.452 121.767 118.700 -0.642 0.000 2.322 683 N HA 0.218 4.890 4.740 -0.114 0.000 0.194 683 N C 1.021 176.246 175.510 -0.475 0.000 1.126 683 N CA 0.592 53.403 53.050 -0.398 0.000 0.845 683 N CB 0.711 39.049 38.487 -0.247 0.000 0.976 683 N HN 0.891 nan 8.380 nan 0.000 0.475 684 G N -0.154 108.109 108.800 -0.895 0.000 2.284 684 G HA2 -0.246 3.646 3.960 -0.114 0.000 0.216 684 G HA3 -0.246 3.646 3.960 -0.114 0.000 0.216 684 G C 0.780 175.403 174.900 -0.462 0.000 1.009 684 G CA 0.328 45.179 45.100 -0.415 0.000 0.625 684 G HN 0.380 nan 8.290 nan 0.000 0.501 685 E N 0.500 120.275 120.200 -0.709 0.000 2.357 685 E HA 0.201 4.483 4.350 -0.114 0.000 0.202 685 E C 0.973 177.365 176.600 -0.347 0.000 0.855 685 E CA 1.196 57.404 56.400 -0.320 0.000 1.048 685 E CB 0.488 30.088 29.700 -0.167 0.000 1.037 685 E HN 0.816 nan 8.360 nan 0.000 0.499 686 E N -0.196 119.657 120.200 -0.578 0.000 2.429 686 E HA 0.370 4.652 4.350 -0.114 0.000 0.276 686 E C -1.236 175.265 176.600 -0.164 0.000 0.953 686 E CA -0.949 55.358 56.400 -0.154 0.000 0.787 686 E CB 0.750 30.486 29.700 0.060 0.000 1.307 686 E HN -0.122 nan 8.360 nan 0.000 0.458 687 W N 1.089 122.599 121.300 0.350 0.000 2.266 687 W HA 0.423 5.047 4.660 -0.060 0.000 0.317 687 W C -0.540 176.154 176.519 0.291 0.000 1.310 687 W CA -0.225 57.360 57.345 0.399 0.000 1.207 687 W CB 1.250 31.005 29.460 0.492 0.000 1.199 687 W HN 0.179 nan 8.180 nan 0.000 0.544 688 V N 4.478 124.670 119.914 0.463 0.000 2.525 688 V HA 0.263 4.315 4.120 -0.114 0.000 0.299 688 V C -0.578 175.709 176.094 0.322 0.000 1.034 688 V CA -1.121 61.352 62.300 0.290 0.000 0.863 688 V CB 1.640 33.546 31.823 0.139 0.000 0.999 688 V HN 0.208 nan 8.190 nan 0.000 0.423 689 V N 4.627 124.718 119.914 0.295 0.000 2.320 689 V HA 0.291 4.343 4.120 -0.114 0.000 0.265 689 V C 0.453 176.684 176.094 0.228 0.000 1.048 689 V CA -0.499 61.972 62.300 0.286 0.000 0.865 689 V CB 0.628 32.621 31.823 0.283 0.000 1.043 689 V HN 0.902 nan 8.190 nan 0.000 0.474 690 E N 2.898 123.245 120.200 0.245 0.000 2.383 690 E HA 0.492 4.774 4.350 -0.114 0.000 0.264 690 E C 0.450 177.179 176.600 0.215 0.000 1.050 690 E CA -0.238 56.265 56.400 0.172 0.000 0.896 690 E CB 1.038 30.798 29.700 0.100 0.000 0.982 690 E HN 0.788 nan 8.360 nan 0.000 0.424 691 A N 2.044 124.948 122.820 0.139 0.000 2.425 691 A HA 0.591 4.843 4.320 -0.114 0.000 0.242 691 A C 0.601 178.254 177.584 0.114 0.000 1.077 691 A CA 0.663 52.783 52.037 0.139 0.000 0.781 691 A CB 0.292 19.346 19.000 0.090 0.000 1.020 691 A HN 0.722 nan 8.150 nan 0.000 0.494 692 G N -0.315 108.557 108.800 0.120 0.000 2.359 692 G HA2 0.276 4.168 3.960 -0.114 0.000 0.303 692 G HA3 0.276 4.168 3.960 -0.114 0.000 0.303 692 G C -0.826 174.086 174.900 0.020 0.000 1.293 692 G CA -0.216 44.898 45.100 0.023 0.000 0.964 692 G HN 1.030 nan 8.290 nan 0.000 0.531 693 E N -0.165 119.975 120.200 -0.100 0.000 2.167 693 E HA 0.578 4.860 4.350 -0.114 0.000 0.284 693 E C -0.963 175.466 176.600 -0.285 0.000 1.016 693 E CA -0.583 55.735 56.400 -0.136 0.000 0.817 693 E CB 0.509 30.145 29.700 -0.107 0.000 1.080 693 E HN 0.383 nan 8.360 nan 0.000 0.397 694 Y N 2.090 122.026 120.300 -0.606 0.000 2.419 694 Y HA 0.260 4.740 4.550 -0.118 0.000 0.328 694 Y C 0.271 175.930 175.900 -0.401 0.000 1.162 694 Y CA -0.876 56.861 58.100 -0.606 0.000 1.174 694 Y CB 1.440 39.259 38.460 -1.069 0.000 1.228 694 Y HN 0.524 nan 8.280 nan 0.000 0.473 695 E N 1.369 121.533 120.200 -0.060 0.000 2.171 695 E HA 0.546 4.828 4.350 -0.114 0.000 0.271 695 E C -1.696 174.991 176.600 0.144 0.000 0.916 695 E CA -0.668 55.745 56.400 0.021 0.000 0.774 695 E CB 1.276 30.952 29.700 -0.039 0.000 1.128 695 E HN 0.447 nan 8.360 nan 0.000 0.403 696 V N 5.400 125.432 119.914 0.197 0.000 2.432 696 V HA 0.360 4.412 4.120 -0.114 0.000 0.275 696 V C -0.075 176.101 176.094 0.137 0.000 1.043 696 V CA -0.369 62.056 62.300 0.208 0.000 0.925 696 V CB 1.053 33.008 31.823 0.221 0.000 0.985 696 V HN 0.642 nan 8.190 nan 0.000 0.466 697 R N 3.728 124.322 120.500 0.156 0.000 2.358 697 R HA 0.528 4.800 4.340 -0.114 0.000 0.309 697 R C -1.262 175.124 176.300 0.144 0.000 1.026 697 R CA -0.523 55.660 56.100 0.138 0.000 0.909 697 R CB 1.863 32.269 30.300 0.176 0.000 1.153 697 R HN 0.526 nan 8.270 nan 0.000 0.515 698 V N 2.772 122.689 119.914 0.006 0.000 2.368 698 V HA 0.483 4.535 4.120 -0.114 0.000 0.266 698 V C 0.703 176.713 176.094 -0.140 0.000 1.045 698 V CA -0.475 61.761 62.300 -0.107 0.000 0.899 698 V CB 1.187 32.779 31.823 -0.386 0.000 1.006 698 V HN 0.883 nan 8.190 nan 0.000 0.470 699 G N 2.812 111.596 108.800 -0.027 0.000 2.473 699 G HA2 0.597 4.489 3.960 -0.114 0.000 0.321 699 G HA3 0.597 4.489 3.960 -0.114 0.000 0.321 699 G C 0.462 175.264 174.900 -0.163 0.000 1.200 699 G CA -0.050 44.992 45.100 -0.098 0.000 0.963 699 G HN 0.815 nan 8.290 nan 0.000 0.483 700 A N -0.274 122.395 122.820 -0.251 0.000 2.238 700 A HA 0.562 4.814 4.320 -0.114 0.000 0.210 700 A C 1.229 178.722 177.584 -0.151 0.000 1.179 700 A CA 1.182 53.116 52.037 -0.171 0.000 0.827 700 A CB -0.348 18.554 19.000 -0.163 0.000 0.856 700 A HN 1.833 nan 8.150 nan 0.000 0.488 701 S N -2.530 113.122 115.700 -0.081 0.000 2.636 701 S HA 0.296 4.698 4.470 -0.114 0.000 0.266 701 S C 0.626 175.241 174.600 0.025 0.000 1.147 701 S CA 0.377 58.557 58.200 -0.033 0.000 0.815 701 S CB 0.347 63.570 63.200 0.039 0.000 1.119 701 S HN 0.818 nan 8.310 nan 0.000 0.470 702 S N 0.201 115.901 115.700 0.001 0.000 2.547 702 S HA 0.066 4.468 4.470 -0.114 0.000 0.235 702 S C 1.067 175.522 174.600 -0.241 0.000 0.980 702 S CA 0.466 58.447 58.200 -0.365 0.000 0.941 702 S CB -0.593 62.430 63.200 -0.296 0.000 0.763 702 S HN 0.702 nan 8.310 nan 0.000 0.532 703 R N 0.199 120.648 120.500 -0.084 0.000 2.531 703 R HA 0.302 4.574 4.340 -0.114 0.000 0.316 703 R C -0.318 175.961 176.300 -0.035 0.000 0.955 703 R CA -0.079 55.986 56.100 -0.059 0.000 1.120 703 R CB 0.205 30.481 30.300 -0.040 0.000 1.361 703 R HN 0.210 nan 8.270 nan 0.000 0.534 704 N N 1.657 120.335 118.700 -0.037 0.000 3.012 704 N HA 0.136 4.808 4.740 -0.114 0.000 0.270 704 N C -0.922 174.524 175.510 -0.106 0.000 1.469 704 N CA -0.246 52.773 53.050 -0.053 0.000 0.928 704 N CB 0.404 38.868 38.487 -0.037 0.000 1.219 704 N HN -0.020 nan 8.380 nan 0.000 0.492 705 I N 2.195 122.715 120.570 -0.083 0.000 2.416 705 I HA 0.133 4.235 4.170 -0.114 0.000 0.288 705 I C 1.407 177.434 176.117 -0.149 0.000 1.051 705 I CA -0.033 61.210 61.300 -0.095 0.000 1.375 705 I CB 1.207 39.194 38.000 -0.023 0.000 1.407 705 I HN 0.196 nan 8.210 nan 0.000 0.516 706 K N 5.584 125.825 120.400 -0.265 0.000 2.335 706 K HA 0.367 4.619 4.320 -0.114 0.000 0.195 706 K C 0.081 176.594 176.600 -0.145 0.000 1.058 706 K CA 0.586 56.697 56.287 -0.294 0.000 0.988 706 K CB 0.621 32.692 32.500 -0.716 0.000 0.880 706 K HN 0.440 nan 8.250 nan 0.000 0.513 707 L N 0.883 122.029 121.223 -0.128 0.000 2.445 707 L HA 0.420 4.692 4.340 -0.114 0.000 0.262 707 L C -0.911 175.944 176.870 -0.024 0.000 0.974 707 L CA -0.753 54.058 54.840 -0.049 0.000 0.822 707 L CB 2.557 44.594 42.059 -0.037 0.000 1.339 707 L HN -0.253 nan 8.230 nan 0.000 0.409 708 K N 1.019 121.426 120.400 0.011 0.000 2.422 708 K HA 0.861 5.113 4.320 -0.114 0.000 0.251 708 K C -0.551 176.081 176.600 0.053 0.000 0.933 708 K CA -0.708 55.599 56.287 0.034 0.000 0.798 708 K CB 2.838 35.355 32.500 0.028 0.000 1.238 708 K HN 0.768 nan 8.250 nan 0.000 0.428 709 G N 0.233 109.081 108.800 0.079 0.000 2.682 709 G HA2 0.613 4.505 3.960 -0.114 0.000 0.290 709 G HA3 0.613 4.505 3.960 -0.114 0.000 0.290 709 G C -1.166 173.810 174.900 0.127 0.000 1.425 709 G CA -0.565 44.595 45.100 0.100 0.000 0.807 709 G HN 0.511 nan 8.290 nan 0.000 0.482 710 T N -2.120 112.518 114.554 0.139 0.000 2.901 710 T HA 0.845 5.127 4.350 -0.114 0.000 0.293 710 T C -0.755 174.096 174.700 0.253 0.000 1.084 710 T CA -0.739 61.442 62.100 0.135 0.000 1.008 710 T CB 1.950 70.839 68.868 0.035 0.000 1.170 710 T HN 1.571 nan 8.240 nan 0.000 0.509 711 F N -1.533 118.455 119.950 0.064 0.000 2.715 711 F HA 0.881 5.339 4.527 -0.114 0.000 0.318 711 F C -0.849 174.989 175.800 0.062 0.000 1.141 711 F CA -1.236 56.797 58.000 0.056 0.000 0.950 711 F CB 1.477 40.491 39.000 0.024 0.000 1.374 711 F HN 0.772 nan 8.300 nan 0.000 0.477 712 S N 0.815 116.593 115.700 0.130 0.000 2.538 712 S HA 0.745 5.147 4.470 -0.114 0.000 0.288 712 S C -1.718 172.971 174.600 0.149 0.000 1.108 712 S CA -0.531 57.693 58.200 0.040 0.000 0.971 712 S CB 1.484 64.742 63.200 0.096 0.000 1.041 712 S HN 0.719 nan 8.310 nan 0.000 0.483 713 V N 5.166 125.113 119.914 0.055 0.000 2.383 713 V HA 0.451 4.503 4.120 -0.114 0.000 0.275 713 V C 1.461 177.662 176.094 0.179 0.000 1.036 713 V CA 0.246 62.636 62.300 0.151 0.000 0.889 713 V CB 1.081 32.928 31.823 0.041 0.000 0.985 713 V HN 1.101 nan 8.190 nan 0.000 0.459 714 G N 3.839 112.762 108.800 0.205 0.000 2.459 714 G HA2 0.023 3.915 3.960 -0.114 0.000 0.213 714 G HA3 0.023 3.915 3.960 -0.114 0.000 0.213 714 G C 0.424 175.390 174.900 0.110 0.000 1.155 714 G CA 0.159 45.341 45.100 0.137 0.000 0.811 714 G HN 0.599 nan 8.290 nan 0.000 0.534 715 E N 0.336 120.609 120.200 0.123 0.000 2.199 715 E HA 0.366 4.648 4.350 -0.114 0.000 0.265 715 E C -0.561 176.094 176.600 0.093 0.000 0.882 715 E CA -0.682 55.771 56.400 0.088 0.000 0.759 715 E CB 1.268 31.010 29.700 0.070 0.000 1.148 715 E HN 0.228 nan 8.360 nan 0.000 0.412 716 E N 3.750 123.991 120.200 0.069 0.000 2.414 716 E HA 0.029 4.311 4.350 -0.114 0.000 0.263 716 E C -0.589 176.024 176.600 0.022 0.000 1.000 716 E CA 0.165 56.603 56.400 0.063 0.000 0.914 716 E CB 0.574 30.302 29.700 0.046 0.000 0.948 716 E HN 0.382 nan 8.360 nan 0.000 0.444 717 R N 3.617 124.126 120.500 0.014 0.000 2.514 717 R HA 0.473 4.745 4.340 -0.114 0.000 0.301 717 R C -0.529 175.624 176.300 -0.245 0.000 0.962 717 R CA -0.721 55.295 56.100 -0.140 0.000 0.882 717 R CB 1.686 31.928 30.300 -0.097 0.000 1.143 717 R HN 0.517 nan 8.270 nan 0.000 0.452 718 R N 2.357 122.592 120.500 -0.441 0.000 2.686 718 R HA 0.476 4.748 4.340 -0.114 0.000 0.286 718 R C -1.220 174.749 176.300 -0.552 0.000 0.969 718 R CA -0.701 55.215 56.100 -0.308 0.000 0.898 718 R CB 1.719 31.960 30.300 -0.099 0.000 1.183 718 R HN 0.361 nan 8.270 nan 0.000 0.456 719 F N 0.955 121.043 119.950 0.230 0.000 2.536 719 F HA 0.362 4.815 4.527 -0.122 0.000 0.322 719 F C 0.093 176.084 175.800 0.318 0.000 1.144 719 F CA -1.103 57.048 58.000 0.251 0.000 0.924 719 F CB 1.800 40.956 39.000 0.259 0.000 1.181 719 F HN 0.158 nan 8.300 nan 0.000 0.438 720 K N 4.277 124.911 120.400 0.390 0.000 2.276 720 K HA 0.492 4.744 4.320 -0.114 0.000 0.283 720 K C -2.210 174.632 176.600 0.404 0.000 1.044 720 K CA -1.407 55.087 56.287 0.345 0.000 0.944 720 K CB 0.521 33.152 32.500 0.219 0.000 1.012 720 K HN 0.230 nan 8.250 nan 0.000 0.472 721 P HA 0.000 nan 4.420 nan 0.000 0.216 721 P CA 0.000 63.359 63.100 0.432 0.000 0.800 721 P CB 0.000 31.924 31.700 0.374 0.000 0.726