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 2zzc_1_C DATA FIRST_RESID 10 DATA SEQUENCE SYDYDLIIIG GGSGGLAAAK EAAQYGKKVM VLDFVTPTPL GTRWGLGGTc DATA SEQUENCE VNVGcIPKKL MHQAALLGQA LQDSRNYGWK VEETVKHDWD RMIEAVQNHI DATA SEQUENCE GSLNWGYRVA LREKKVVYEN AYGQFIGPHR IKATNNKGKE KIYSAERFLI DATA SEQUENCE ATGERPRYLG IPGDKEYCIS SDDLFSLPYC PGKTLVVGAS YVALECAGFL DATA SEQUENCE AGIGLDVTVM VRSILLRGFD QDMANKIGEH MEEHGIKFIR QFVPIKVEQI DATA SEQUENCE EAGTPGRLRV VAQSTNSEEI IEGEYNTVML AIGRDACTRK IGLETVGVKI DATA SEQUENCE NEKTGKIPVT DEEQTNVPYI YAIGDILEDK VELTPVAIQA GRLLAQRLYA DATA SEQUENCE GSTVKCDYEN VPTTVFTPLE YGACGLSEEK AVEKFGEENI EVYHSYFWPL DATA SEQUENCE EWTIPSRDNN KCYAKIICNT KDNERVVGFH VLGPNAGEVT QGFAAALKCG DATA SEQUENCE LTKKQLDSTI GIHPVCAEVF TTLSVTKRSG ASILQ 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 10 S HA 0.000 nan 4.470 nan 0.000 0.327 10 S C 0.000 174.512 174.600 -0.146 0.000 1.055 10 S CA 0.000 58.085 58.200 -0.192 0.000 1.107 10 S CB 0.000 62.985 63.200 -0.358 0.000 0.593 11 Y N 3.884 124.172 120.300 -0.020 0.000 2.346 11 Y HA 0.457 5.007 4.550 -0.001 0.000 0.330 11 Y C 1.251 177.152 175.900 0.002 0.000 1.178 11 Y CA -0.042 58.069 58.100 0.019 0.000 1.331 11 Y CB 0.233 38.714 38.460 0.034 0.000 1.253 11 Y HN 0.234 nan 8.280 nan 0.000 0.529 12 D N 0.675 121.208 120.400 0.222 0.000 2.158 12 D HA -0.179 4.461 4.640 -0.001 0.000 0.197 12 D C -0.572 175.546 176.300 -0.303 0.000 0.995 12 D CA 1.952 55.960 54.000 0.013 0.000 0.846 12 D CB -0.183 40.762 40.800 0.242 0.000 0.941 12 D HN 0.442 nan 8.370 nan 0.000 0.456 13 Y N -0.791 119.566 120.300 0.094 0.000 2.605 13 Y HA 0.267 4.816 4.550 -0.001 0.000 0.343 13 Y C 0.838 176.723 175.900 -0.025 0.000 1.036 13 Y CA -1.064 57.038 58.100 0.004 0.000 1.065 13 Y CB 1.519 39.939 38.460 -0.067 0.000 1.288 13 Y HN -0.336 nan 8.280 nan 0.000 0.481 14 D N 0.386 120.849 120.400 0.105 0.000 2.213 14 D HA 0.038 4.678 4.640 -0.001 0.000 0.205 14 D C -0.562 175.742 176.300 0.008 0.000 0.961 14 D CA 1.327 55.357 54.000 0.050 0.000 0.853 14 D CB 0.626 41.426 40.800 -0.000 0.000 0.967 14 D HN 0.295 nan 8.370 nan 0.000 0.496 15 L N 0.278 121.482 121.223 -0.031 0.000 2.545 15 L HA 0.408 4.748 4.340 -0.001 0.000 0.258 15 L C -1.879 174.862 176.870 -0.215 0.000 0.942 15 L CA -0.468 54.292 54.840 -0.133 0.000 0.855 15 L CB 2.350 44.403 42.059 -0.009 0.000 1.374 15 L HN -0.265 nan 8.230 nan 0.000 0.411 16 I N 5.162 125.502 120.570 -0.382 0.000 2.498 16 I HA 0.489 4.658 4.170 -0.001 0.000 0.290 16 I C -0.896 175.178 176.117 -0.073 0.000 1.032 16 I CA -0.490 60.647 61.300 -0.273 0.000 1.073 16 I CB 2.093 39.981 38.000 -0.186 0.000 1.251 16 I HN 0.461 nan 8.210 nan 0.000 0.426 17 I N 6.741 127.276 120.570 -0.058 0.000 2.362 17 I HA 0.393 4.563 4.170 -0.001 0.000 0.289 17 I C -0.363 175.753 176.117 -0.001 0.000 0.994 17 I CA -0.489 60.814 61.300 0.006 0.000 1.158 17 I CB 1.492 39.483 38.000 -0.015 0.000 1.315 17 I HN 0.337 nan 8.210 nan 0.000 0.451 18 I N 6.150 126.739 120.570 0.031 0.000 2.297 18 I HA 0.601 4.771 4.170 -0.001 0.000 0.291 18 I C 0.553 176.663 176.117 -0.011 0.000 1.033 18 I CA -0.307 60.981 61.300 -0.019 0.000 1.253 18 I CB 0.725 38.703 38.000 -0.035 0.000 1.396 18 I HN 0.810 nan 8.210 nan 0.000 0.476 19 G N 3.648 112.433 108.800 -0.024 0.000 3.363 19 G HA2 0.078 4.037 3.960 -0.001 0.000 0.685 19 G HA3 0.078 4.037 3.960 -0.001 0.000 0.685 19 G C -0.185 174.708 174.900 -0.011 0.000 1.199 19 G CA -0.571 44.522 45.100 -0.012 0.000 0.946 19 G HN 0.982 nan 8.290 nan 0.000 0.558 20 G N 0.748 109.544 108.800 -0.006 0.000 4.637 20 G HA2 0.706 4.665 3.960 -0.001 0.000 0.308 20 G HA3 0.706 4.665 3.960 -0.001 0.000 0.308 20 G C 0.738 175.577 174.900 -0.102 0.000 1.377 20 G CA 0.847 45.916 45.100 -0.051 0.000 1.176 20 G HN 1.254 nan 8.290 nan 0.000 0.601 21 G N 0.012 108.762 108.800 -0.084 0.000 2.736 21 G HA2 0.413 4.373 3.960 -0.001 0.000 0.229 21 G HA3 0.413 4.373 3.960 -0.001 0.000 0.229 21 G C 1.166 175.973 174.900 -0.155 0.000 1.380 21 G CA 0.289 45.328 45.100 -0.103 0.000 1.040 21 G HN 0.179 nan 8.290 nan 0.000 0.568 22 S N -0.204 115.423 115.700 -0.121 0.000 2.365 22 S HA -0.159 4.310 4.470 -0.001 0.000 0.221 22 S C 2.517 177.069 174.600 -0.079 0.000 1.037 22 S CA 1.995 60.129 58.200 -0.111 0.000 1.060 22 S CB -0.925 62.240 63.200 -0.059 0.000 0.974 22 S HN 0.807 nan 8.310 nan 0.000 0.427 23 G N 0.991 109.768 108.800 -0.039 0.000 2.446 23 G HA2 -0.076 3.883 3.960 -0.001 0.000 0.217 23 G HA3 -0.076 3.883 3.960 -0.001 0.000 0.217 23 G C 1.468 176.354 174.900 -0.023 0.000 1.168 23 G CA 1.102 46.193 45.100 -0.015 0.000 0.771 23 G HN 0.586 nan 8.290 nan 0.000 0.551 24 G N 1.118 109.898 108.800 -0.032 0.000 2.514 24 G HA2 -0.221 3.738 3.960 -0.001 0.000 0.217 24 G HA3 -0.221 3.738 3.960 -0.001 0.000 0.217 24 G C 1.831 176.695 174.900 -0.059 0.000 1.198 24 G CA 1.016 46.096 45.100 -0.034 0.000 0.780 24 G HN 0.428 nan 8.290 nan 0.000 0.565 25 L N 0.796 121.950 121.223 -0.115 0.000 2.083 25 L HA -0.018 4.321 4.340 -0.001 0.000 0.209 25 L C 3.407 180.234 176.870 -0.072 0.000 1.083 25 L CA 0.915 55.675 54.840 -0.135 0.000 0.752 25 L CB -0.535 41.352 42.059 -0.287 0.000 0.899 25 L HN 0.308 nan 8.230 nan 0.000 0.433 26 A N 0.506 123.292 122.820 -0.057 0.000 1.865 26 A HA -0.206 4.113 4.320 -0.001 0.000 0.217 26 A C 2.589 180.173 177.584 0.000 0.000 1.191 26 A CA 1.966 53.993 52.037 -0.016 0.000 0.623 26 A CB -0.880 18.114 19.000 -0.010 0.000 0.826 26 A HN 0.382 nan 8.150 nan 0.000 0.444 27 A N -0.319 122.503 122.820 0.003 0.000 1.940 27 A HA 0.127 4.447 4.320 -0.001 0.000 0.219 27 A C 2.488 180.086 177.584 0.024 0.000 1.176 27 A CA 2.226 54.278 52.037 0.025 0.000 0.631 27 A CB -0.991 18.023 19.000 0.023 0.000 0.814 27 A HN 1.118 nan 8.150 nan 0.000 0.446 28 A N -0.244 122.573 122.820 -0.006 0.000 1.902 28 A HA -0.148 4.172 4.320 -0.001 0.000 0.217 28 A C 2.121 179.692 177.584 -0.021 0.000 1.181 28 A CA 1.773 53.798 52.037 -0.019 0.000 0.623 28 A CB -0.362 18.614 19.000 -0.039 0.000 0.818 28 A HN 0.559 nan 8.150 nan 0.000 0.443 29 K N -0.894 119.495 120.400 -0.018 0.000 2.116 29 K HA -0.092 4.227 4.320 -0.001 0.000 0.203 29 K C 2.080 178.665 176.600 -0.026 0.000 1.052 29 K CA 1.270 57.541 56.287 -0.027 0.000 0.952 29 K CB -0.046 32.443 32.500 -0.018 0.000 0.729 29 K HN 0.424 nan 8.250 nan 0.000 0.446 30 E N 1.309 121.521 120.200 0.020 0.000 2.072 30 E HA -0.114 4.235 4.350 -0.001 0.000 0.191 30 E C 1.790 178.476 176.600 0.143 0.000 0.985 30 E CA 1.406 57.853 56.400 0.079 0.000 0.801 30 E CB -0.142 29.638 29.700 0.133 0.000 0.750 30 E HN 0.272 nan 8.360 nan 0.000 0.452 31 A N 0.648 123.542 122.820 0.124 0.000 1.902 31 A HA -0.073 4.246 4.320 -0.001 0.000 0.217 31 A C 2.394 179.948 177.584 -0.049 0.000 1.181 31 A CA 2.026 54.115 52.037 0.086 0.000 0.623 31 A CB -0.925 18.076 19.000 0.001 0.000 0.818 31 A HN 0.357 nan 8.150 nan 0.000 0.443 32 A N -1.180 121.594 122.820 -0.077 0.000 2.015 32 A HA -0.152 4.167 4.320 -0.001 0.000 0.219 32 A C 2.057 179.545 177.584 -0.160 0.000 1.163 32 A CA 1.524 53.497 52.037 -0.106 0.000 0.646 32 A CB -0.477 18.475 19.000 -0.081 0.000 0.806 32 A HN 0.633 nan 8.150 nan 0.000 0.448 33 Q N -1.541 118.108 119.800 -0.250 0.000 2.234 33 Q HA -0.174 4.165 4.340 -0.001 0.000 0.206 33 Q C 0.421 176.073 176.000 -0.581 0.000 0.980 33 Q CA 1.458 56.997 55.803 -0.439 0.000 0.869 33 Q CB -0.185 28.201 28.738 -0.587 0.000 0.912 33 Q HN 0.879 nan 8.270 nan 0.000 0.436 34 Y N -1.235 119.028 120.300 -0.062 0.000 2.537 34 Y HA 0.261 4.810 4.550 -0.001 0.000 0.303 34 Y C 1.234 177.083 175.900 -0.086 0.000 1.176 34 Y CA 0.141 58.209 58.100 -0.052 0.000 1.273 34 Y CB 0.380 38.832 38.460 -0.014 0.000 1.110 34 Y HN 0.132 nan 8.280 nan 0.000 0.518 35 G N 0.302 109.066 108.800 -0.060 0.000 2.179 35 G HA2 -0.272 3.687 3.960 -0.001 0.000 0.257 35 G HA3 -0.272 3.687 3.960 -0.001 0.000 0.257 35 G C 0.217 175.073 174.900 -0.074 0.000 1.010 35 G CA -0.167 44.900 45.100 -0.055 0.000 0.736 35 G HN 0.132 nan 8.290 nan 0.000 0.513 36 K N -0.039 120.277 120.400 -0.139 0.000 2.098 36 K HA 0.370 4.690 4.320 -0.001 0.000 0.257 36 K C 0.526 177.059 176.600 -0.113 0.000 0.999 36 K CA -0.713 55.459 56.287 -0.191 0.000 0.924 36 K CB 1.079 33.287 32.500 -0.487 0.000 1.028 36 K HN 0.262 nan 8.250 nan 0.000 0.466 37 K N 1.677 122.039 120.400 -0.064 0.000 2.316 37 K HA 0.206 4.526 4.320 -0.001 0.000 0.289 37 K C -0.890 175.775 176.600 0.109 0.000 1.070 37 K CA -0.263 56.031 56.287 0.011 0.000 0.928 37 K CB 0.466 32.944 32.500 -0.036 0.000 1.039 37 K HN 0.198 nan 8.250 nan 0.000 0.480 38 V N 5.410 125.401 119.914 0.128 0.000 2.735 38 V HA 0.456 4.575 4.120 -0.001 0.000 0.310 38 V C -0.520 175.558 176.094 -0.026 0.000 1.061 38 V CA -0.966 61.373 62.300 0.066 0.000 0.913 38 V CB 1.883 33.687 31.823 -0.032 0.000 1.005 38 V HN 0.835 nan 8.190 nan 0.000 0.428 39 M N 4.042 123.479 119.600 -0.272 0.000 2.326 39 M HA 0.698 5.177 4.480 -0.001 0.000 0.306 39 M C -1.967 174.162 176.300 -0.285 0.000 1.054 39 M CA -0.522 54.488 55.300 -0.483 0.000 0.922 39 M CB 1.917 33.794 32.600 -1.204 0.000 1.632 39 M HN 0.464 nan 8.290 nan 0.000 0.436 40 V N 6.316 126.133 119.914 -0.161 0.000 2.384 40 V HA 0.464 4.583 4.120 -0.001 0.000 0.287 40 V C -0.532 175.546 176.094 -0.026 0.000 1.020 40 V CA -0.605 61.659 62.300 -0.061 0.000 0.850 40 V CB 1.673 33.502 31.823 0.010 0.000 0.987 40 V HN 0.793 nan 8.190 nan 0.000 0.436 41 L N 4.504 125.693 121.223 -0.056 0.000 2.295 41 L HA 0.654 4.993 4.340 -0.001 0.000 0.285 41 L C -0.615 176.277 176.870 0.037 0.000 1.035 41 L CA -0.155 54.659 54.840 -0.044 0.000 0.806 41 L CB 1.644 43.645 42.059 -0.097 0.000 1.214 41 L HN 0.674 nan 8.230 nan 0.000 0.426 42 D N 2.300 122.772 120.400 0.121 0.000 2.890 42 D HA 0.486 5.125 4.640 -0.001 0.000 0.233 42 D C -1.675 174.750 176.300 0.209 0.000 1.306 42 D CA -0.256 53.836 54.000 0.153 0.000 0.929 42 D CB 1.458 42.383 40.800 0.208 0.000 1.512 42 D HN 0.202 nan 8.370 nan 0.000 0.568 43 F N 3.973 123.916 119.950 -0.013 0.000 2.578 43 F HA 0.581 5.107 4.527 -0.001 0.000 0.311 43 F C -1.577 174.201 175.800 -0.035 0.000 1.094 43 F CA -0.813 57.185 58.000 -0.003 0.000 0.923 43 F CB 1.915 40.941 39.000 0.042 0.000 1.230 43 F HN 0.145 nan 8.300 nan 0.000 0.450 44 V N 4.267 123.536 119.914 -1.075 0.000 2.294 44 V HA 0.244 4.363 4.120 -0.001 0.000 0.272 44 V C 0.090 175.594 176.094 -0.983 0.000 1.027 44 V CA -0.593 61.182 62.300 -0.875 0.000 0.823 44 V CB 0.909 32.100 31.823 -1.055 0.000 1.030 44 V HN 0.843 nan 8.190 nan 0.000 0.457 45 T N 5.127 119.397 114.554 -0.473 0.000 2.799 45 T HA 0.339 4.688 4.350 -0.001 0.000 0.296 45 T C -1.901 172.652 174.700 -0.245 0.000 0.947 45 T CA -1.116 60.879 62.100 -0.175 0.000 1.141 45 T CB 0.759 69.721 68.868 0.158 0.000 0.891 45 T HN 0.424 nan 8.240 nan 0.000 0.533 46 P HA 0.097 nan 4.420 nan 0.000 0.270 46 P C 0.246 177.510 177.300 -0.060 0.000 1.216 46 P CA -0.166 62.827 63.100 -0.178 0.000 0.788 46 P CB 0.190 31.836 31.700 -0.090 0.000 0.883 47 T N -1.429 113.128 114.554 0.005 0.000 2.847 47 T HA 0.269 4.618 4.350 -0.001 0.000 0.279 47 T C -1.855 172.891 174.700 0.076 0.000 0.984 47 T CA -1.744 60.416 62.100 0.101 0.000 0.988 47 T CB 0.090 69.069 68.868 0.185 0.000 1.040 47 T HN 0.149 nan 8.240 nan 0.000 0.528 48 P HA -0.048 nan 4.420 nan 0.000 0.217 48 P C 1.248 178.569 177.300 0.034 0.000 1.151 48 P CA 1.087 64.200 63.100 0.022 0.000 0.849 48 P CB -0.125 31.563 31.700 -0.019 0.000 0.787 49 L N -2.902 118.367 121.223 0.078 0.000 2.610 49 L HA 0.181 4.521 4.340 -0.001 0.000 0.232 49 L C 1.454 178.365 176.870 0.068 0.000 1.149 49 L CA 0.678 55.562 54.840 0.075 0.000 0.872 49 L CB -0.950 41.172 42.059 0.105 0.000 0.992 49 L HN 0.125 nan 8.230 nan 0.000 0.447 50 G N -0.276 108.558 108.800 0.056 0.000 2.136 50 G HA2 -0.249 3.711 3.960 -0.001 0.000 0.242 50 G HA3 -0.249 3.711 3.960 -0.001 0.000 0.242 50 G C 0.263 175.189 174.900 0.044 0.000 0.989 50 G CA 0.192 45.316 45.100 0.039 0.000 0.682 50 G HN 0.271 nan 8.290 nan 0.000 0.522 51 T N 1.238 115.839 114.554 0.080 0.000 2.832 51 T HA 0.623 4.972 4.350 -0.001 0.000 0.296 51 T C 0.621 175.350 174.700 0.047 0.000 0.968 51 T CA 0.023 62.199 62.100 0.126 0.000 1.107 51 T CB 1.233 70.237 68.868 0.226 0.000 0.916 51 T HN 0.533 nan 8.240 nan 0.000 0.517 52 R N 1.376 121.889 120.500 0.022 0.000 2.888 52 R HA 0.759 5.098 4.340 -0.001 0.000 0.266 52 R C -1.255 175.068 176.300 0.039 0.000 1.020 52 R CA -1.116 54.838 56.100 -0.244 0.000 0.963 52 R CB 1.991 32.153 30.300 -0.229 0.000 1.197 52 R HN 0.781 nan 8.270 nan 0.000 0.481 53 W N -1.095 120.194 121.300 -0.019 0.000 3.018 53 W HA 0.723 5.382 4.660 -0.001 0.000 0.352 53 W C -0.456 176.059 176.519 -0.007 0.000 1.230 53 W CA -1.246 56.099 57.345 0.000 0.000 1.162 53 W CB -0.038 29.432 29.460 0.017 0.000 1.483 53 W HN 0.681 nan 8.180 nan 0.000 0.584 54 G N 0.470 109.480 108.800 0.350 0.000 2.494 54 G HA2 0.412 4.372 3.960 -0.001 0.000 0.270 54 G HA3 0.412 4.372 3.960 -0.001 0.000 0.270 54 G C -1.008 174.022 174.900 0.216 0.000 1.423 54 G CA -0.860 44.368 45.100 0.213 0.000 1.055 54 G HN 0.767 nan 8.290 nan 0.000 0.536 55 L N -0.341 120.957 121.223 0.123 0.000 2.452 55 L HA 0.505 4.844 4.340 -0.001 0.000 0.267 55 L C 1.362 178.249 176.870 0.029 0.000 1.188 55 L CA 1.911 56.770 54.840 0.031 0.000 0.821 55 L CB 1.070 43.036 42.059 -0.155 0.000 1.102 55 L HN 1.224 nan 8.230 nan 0.000 0.470 56 G N 1.097 109.843 108.800 -0.090 0.000 2.480 56 G HA2 0.284 4.243 3.960 -0.001 0.000 0.193 56 G HA3 0.284 4.243 3.960 -0.001 0.000 0.193 56 G C 0.776 175.588 174.900 -0.146 0.000 1.004 56 G CA 0.074 45.051 45.100 -0.206 0.000 0.696 56 G HN 1.910 nan 8.290 nan 0.000 0.478 57 G N -1.172 107.629 108.800 0.002 0.000 2.698 57 G HA2 0.133 4.092 3.960 -0.001 0.000 0.225 57 G HA3 0.133 4.092 3.960 -0.001 0.000 0.225 57 G C 0.754 175.650 174.900 -0.006 0.000 1.345 57 G CA 0.661 45.781 45.100 0.033 0.000 0.871 57 G HN 1.146 nan 8.290 nan 0.000 0.540 58 T N -0.520 114.028 114.554 -0.011 0.000 2.674 58 T HA -0.209 4.141 4.350 -0.001 0.000 0.265 58 T C 2.500 177.106 174.700 -0.157 0.000 1.039 58 T CA 2.611 64.660 62.100 -0.086 0.000 1.150 58 T CB -0.658 68.202 68.868 -0.013 0.000 0.864 58 T HN 0.988 nan 8.240 nan 0.000 0.427 59 c N 1.099 119.634 118.600 -0.109 0.000 2.367 59 c HA -0.118 4.451 4.570 -0.001 0.000 0.276 59 c C 2.811 176.812 174.090 -0.149 0.000 1.195 59 c CA 1.010 57.268 56.329 -0.118 0.000 1.756 59 c CB -1.240 41.225 42.510 -0.075 0.000 2.046 59 c HN 0.399 nan 8.230 nan 0.000 0.453 60 V N 1.771 121.619 119.914 -0.111 0.000 2.287 60 V HA -0.211 3.908 4.120 -0.001 0.000 0.248 60 V C 2.242 178.240 176.094 -0.160 0.000 1.053 60 V CA 2.518 64.771 62.300 -0.078 0.000 1.027 60 V CB -0.673 31.157 31.823 0.011 0.000 0.646 60 V HN 0.601 nan 8.190 nan 0.000 0.447 61 N N 0.112 118.656 118.700 -0.260 0.000 2.305 61 N HA -0.008 4.731 4.740 -0.001 0.000 0.179 61 N C 1.140 176.357 175.510 -0.488 0.000 1.019 61 N CA 1.755 54.557 53.050 -0.414 0.000 0.869 61 N CB 0.731 38.750 38.487 -0.780 0.000 1.000 61 N HN 0.561 nan 8.380 nan 0.000 0.431 62 V N -3.403 116.212 119.914 -0.499 0.000 3.157 62 V HA 0.642 4.761 4.120 -0.001 0.000 0.361 62 V C 0.323 176.346 176.094 -0.118 0.000 1.421 62 V CA -0.293 61.876 62.300 -0.218 0.000 1.213 62 V CB 0.520 32.074 31.823 -0.450 0.000 1.164 62 V HN 0.140 nan 8.190 nan 0.000 0.559 63 G N -0.390 108.210 108.800 -0.334 0.000 3.253 63 G HA2 0.311 4.271 3.960 -0.001 0.000 0.175 63 G HA3 0.311 4.271 3.960 -0.001 0.000 0.175 63 G C 0.888 175.586 174.900 -0.336 0.000 1.098 63 G CA 0.529 45.495 45.100 -0.224 0.000 0.790 63 G HN 0.278 nan 8.290 nan 0.000 0.648 64 c N 0.722 119.204 118.600 -0.195 0.000 2.269 64 c HA -0.216 4.354 4.570 -0.001 0.000 0.264 64 c C 2.733 176.661 174.090 -0.269 0.000 1.112 64 c CA 0.992 57.213 56.329 -0.180 0.000 1.805 64 c CB -1.570 40.874 42.510 -0.111 0.000 1.958 64 c HN 0.457 nan 8.230 nan 0.000 0.418 65 I N 2.641 123.065 120.570 -0.243 0.000 2.069 65 I HA -0.138 4.032 4.170 -0.001 0.000 0.237 65 I C 0.221 176.134 176.117 -0.341 0.000 1.053 65 I CA 1.866 63.028 61.300 -0.230 0.000 1.311 65 I CB -2.956 34.974 38.000 -0.116 0.000 1.030 65 I HN 0.306 nan 8.210 nan 0.000 0.398 66 P HA -0.185 nan 4.420 nan 0.000 0.218 66 P C 1.650 178.518 177.300 -0.721 0.000 1.149 66 P CA 1.474 64.201 63.100 -0.621 0.000 0.817 66 P CB -0.081 31.142 31.700 -0.795 0.000 0.785 67 K N 1.282 121.206 120.400 -0.794 0.000 2.002 67 K HA -0.146 4.174 4.320 -0.001 0.000 0.209 67 K C 2.116 178.537 176.600 -0.298 0.000 1.048 67 K CA 1.429 57.489 56.287 -0.379 0.000 0.930 67 K CB -0.580 31.837 32.500 -0.137 0.000 0.714 67 K HN -0.058 nan 8.250 nan 0.000 0.438 68 K N 0.850 121.048 120.400 -0.337 0.000 2.097 68 K HA -0.077 4.243 4.320 -0.001 0.000 0.206 68 K C 2.335 178.780 176.600 -0.259 0.000 1.049 68 K CA 0.996 57.078 56.287 -0.341 0.000 0.933 68 K CB -0.162 32.071 32.500 -0.445 0.000 0.717 68 K HN 0.207 nan 8.250 nan 0.000 0.442 69 L N 0.153 121.194 121.223 -0.303 0.000 2.083 69 L HA -0.178 4.162 4.340 -0.001 0.000 0.209 69 L C 2.545 179.238 176.870 -0.296 0.000 1.083 69 L CA 1.097 55.770 54.840 -0.279 0.000 0.752 69 L CB -0.259 41.633 42.059 -0.277 0.000 0.899 69 L HN 0.231 nan 8.230 nan 0.000 0.433 70 M N -1.506 117.840 119.600 -0.423 0.000 2.200 70 M HA -0.180 4.300 4.480 -0.001 0.000 0.265 70 M C 2.313 178.388 176.300 -0.375 0.000 1.066 70 M CA 1.277 56.243 55.300 -0.556 0.000 1.127 70 M CB -0.518 31.390 32.600 -1.154 0.000 1.379 70 M HN 0.249 nan 8.290 nan 0.000 0.420 71 H N 0.508 119.364 119.070 -0.357 0.000 2.387 71 H HA -0.214 4.341 4.556 -0.001 0.000 0.299 71 H C 2.010 177.302 175.328 -0.061 0.000 1.090 71 H CA 2.219 58.229 56.048 -0.063 0.000 1.332 71 H CB -0.057 29.716 29.762 0.019 0.000 1.386 71 H HN 0.286 nan 8.280 nan 0.000 0.516 72 Q N 0.527 120.209 119.800 -0.196 0.000 2.119 72 Q HA -0.014 4.326 4.340 -0.001 0.000 0.201 72 Q C 2.344 178.226 176.000 -0.197 0.000 0.972 72 Q CA 1.787 57.449 55.803 -0.235 0.000 0.847 72 Q CB -0.732 27.897 28.738 -0.181 0.000 0.903 72 Q HN 0.548 nan 8.270 nan 0.000 0.433 73 A N 0.243 122.952 122.820 -0.185 0.000 1.972 73 A HA 0.006 4.325 4.320 -0.001 0.000 0.219 73 A C 2.260 179.742 177.584 -0.169 0.000 1.169 73 A CA 1.752 53.688 52.037 -0.167 0.000 0.635 73 A CB -1.036 17.860 19.000 -0.173 0.000 0.810 73 A HN 0.534 nan 8.150 nan 0.000 0.446 74 A N -0.158 122.584 122.820 -0.130 0.000 1.854 74 A HA 0.029 4.348 4.320 -0.001 0.000 0.214 74 A C 2.140 179.672 177.584 -0.087 0.000 1.192 74 A CA 1.319 53.317 52.037 -0.066 0.000 0.611 74 A CB -0.661 18.381 19.000 0.071 0.000 0.832 74 A HN 0.441 nan 8.150 nan 0.000 0.442 75 L N -0.403 120.723 121.223 -0.162 0.000 2.013 75 L HA -0.259 4.080 4.340 -0.001 0.000 0.212 75 L C 2.598 179.414 176.870 -0.090 0.000 1.073 75 L CA 1.511 56.267 54.840 -0.139 0.000 0.753 75 L CB -0.666 41.265 42.059 -0.213 0.000 0.890 75 L HN 0.390 nan 8.230 nan 0.000 0.432 76 L N -0.636 120.524 121.223 -0.105 0.000 2.079 76 L HA -0.176 4.164 4.340 -0.001 0.000 0.210 76 L C 2.681 179.512 176.870 -0.065 0.000 1.081 76 L CA 1.289 56.077 54.840 -0.086 0.000 0.752 76 L CB -1.247 40.755 42.059 -0.095 0.000 0.896 76 L HN 0.368 nan 8.230 nan 0.000 0.433 77 G N -0.535 108.225 108.800 -0.066 0.000 2.476 77 G HA2 -0.373 3.587 3.960 -0.001 0.000 0.218 77 G HA3 -0.373 3.587 3.960 -0.001 0.000 0.218 77 G C 1.520 176.410 174.900 -0.016 0.000 1.164 77 G CA 0.942 46.018 45.100 -0.040 0.000 0.768 77 G HN 0.312 nan 8.290 nan 0.000 0.560 78 Q N 0.790 120.580 119.800 -0.017 0.000 2.167 78 Q HA 0.160 4.499 4.340 -0.001 0.000 0.202 78 Q C 2.602 178.606 176.000 0.005 0.000 0.970 78 Q CA 1.801 57.602 55.803 -0.003 0.000 0.855 78 Q CB -0.619 28.113 28.738 -0.010 0.000 0.911 78 Q HN 0.382 nan 8.270 nan 0.000 0.438 79 A N 0.176 122.988 122.820 -0.014 0.000 1.902 79 A HA -0.124 4.195 4.320 -0.001 0.000 0.217 79 A C 2.094 179.665 177.584 -0.021 0.000 1.181 79 A CA 1.371 53.393 52.037 -0.024 0.000 0.623 79 A CB -0.789 18.171 19.000 -0.067 0.000 0.818 79 A HN 0.448 nan 8.150 nan 0.000 0.443 80 L N -0.924 120.284 121.223 -0.026 0.000 1.990 80 L HA -0.325 4.014 4.340 -0.001 0.000 0.213 80 L C 2.952 179.845 176.870 0.038 0.000 1.072 80 L CA 2.101 56.934 54.840 -0.013 0.000 0.755 80 L CB -0.792 41.263 42.059 -0.006 0.000 0.889 80 L HN 0.490 nan 8.230 nan 0.000 0.432 81 Q N -0.149 119.678 119.800 0.045 0.000 1.985 81 Q HA -0.261 4.078 4.340 -0.001 0.000 0.207 81 Q C 1.975 178.041 176.000 0.111 0.000 0.996 81 Q CA 2.098 57.943 55.803 0.069 0.000 0.851 81 Q CB -0.168 28.602 28.738 0.053 0.000 0.921 81 Q HN 0.417 nan 8.270 nan 0.000 0.418 82 D N -0.276 120.196 120.400 0.119 0.000 2.203 82 D HA -0.171 4.468 4.640 -0.001 0.000 0.199 82 D C 1.964 178.441 176.300 0.295 0.000 0.997 82 D CA 1.563 55.686 54.000 0.205 0.000 0.863 82 D CB -0.357 40.557 40.800 0.190 0.000 0.928 82 D HN 0.284 nan 8.370 nan 0.000 0.458 83 S N 0.013 115.839 115.700 0.210 0.000 2.447 83 S HA -0.125 4.345 4.470 -0.001 0.000 0.233 83 S C 1.822 176.675 174.600 0.422 0.000 1.006 83 S CA 0.441 58.831 58.200 0.315 0.000 0.957 83 S CB -0.079 63.185 63.200 0.106 0.000 0.773 83 S HN 0.225 nan 8.310 nan 0.000 0.507 84 R N 1.783 122.449 120.500 0.277 0.000 2.073 84 R HA 0.030 4.370 4.340 -0.001 0.000 0.234 84 R C 2.131 178.540 176.300 0.181 0.000 1.134 84 R CA 1.695 57.923 56.100 0.215 0.000 0.952 84 R CB -0.536 29.848 30.300 0.140 0.000 0.850 84 R HN 0.585 nan 8.270 nan 0.000 0.433 85 N N 0.081 118.882 118.700 0.168 0.000 2.396 85 N HA -0.127 4.612 4.740 -0.001 0.000 0.180 85 N C 1.111 176.623 175.510 0.003 0.000 1.028 85 N CA 0.981 54.061 53.050 0.051 0.000 0.893 85 N CB -0.019 38.456 38.487 -0.020 0.000 0.967 85 N HN 0.344 nan 8.380 nan 0.000 0.440 86 Y N 0.378 120.748 120.300 0.116 0.000 2.578 86 Y HA 0.114 4.663 4.550 -0.001 0.000 0.297 86 Y C 1.774 177.641 175.900 -0.055 0.000 1.176 86 Y CA 0.365 58.513 58.100 0.081 0.000 1.315 86 Y CB 0.158 38.729 38.460 0.185 0.000 1.031 86 Y HN 0.164 nan 8.280 nan 0.000 0.524 87 G N -1.995 106.840 108.800 0.058 0.000 2.192 87 G HA2 -0.231 3.728 3.960 -0.001 0.000 0.193 87 G HA3 -0.231 3.728 3.960 -0.001 0.000 0.193 87 G C -0.345 174.425 174.900 -0.216 0.000 0.999 87 G CA -0.727 44.299 45.100 -0.122 0.000 0.659 87 G HN 0.249 nan 8.290 nan 0.000 0.503 88 W N 1.470 122.820 121.300 0.082 0.000 2.287 88 W HA 0.604 5.263 4.660 -0.001 0.000 0.313 88 W C 0.932 177.479 176.519 0.047 0.000 1.267 88 W CA -0.546 56.834 57.345 0.058 0.000 1.201 88 W CB 0.757 30.250 29.460 0.056 0.000 1.196 88 W HN -0.087 nan 8.180 nan 0.000 0.536 89 K N 3.566 124.114 120.400 0.247 0.000 2.155 89 K HA 0.185 4.504 4.320 -0.001 0.000 0.240 89 K C -0.409 176.290 176.600 0.164 0.000 1.193 89 K CA -0.258 56.124 56.287 0.158 0.000 1.104 89 K CB -0.393 32.168 32.500 0.102 0.000 1.558 89 K HN 0.333 nan 8.250 nan 0.000 0.313 90 V N -0.833 119.178 119.914 0.163 0.000 2.667 90 V HA 0.376 4.496 4.120 -0.001 0.000 0.308 90 V C 0.003 176.150 176.094 0.088 0.000 1.048 90 V CA -1.332 61.039 62.300 0.119 0.000 0.928 90 V CB 1.706 33.596 31.823 0.111 0.000 1.004 90 V HN 0.453 nan 8.190 nan 0.000 0.444 91 E N 1.847 122.088 120.200 0.068 0.000 2.438 91 E HA -0.038 4.311 4.350 -0.001 0.000 0.261 91 E C 1.007 177.641 176.600 0.056 0.000 1.103 91 E CA 1.003 57.436 56.400 0.056 0.000 0.959 91 E CB 0.755 30.484 29.700 0.047 0.000 0.958 91 E HN 0.956 nan 8.360 nan 0.000 0.447 92 E N 1.234 121.463 120.200 0.049 0.000 2.152 92 E HA -0.046 4.303 4.350 -0.001 0.000 0.192 92 E C -0.487 176.139 176.600 0.044 0.000 0.983 92 E CA 1.115 57.543 56.400 0.047 0.000 0.818 92 E CB 0.225 29.949 29.700 0.040 0.000 0.758 92 E HN 0.503 nan 8.360 nan 0.000 0.467 93 T N 1.070 115.649 114.554 0.043 0.000 2.906 93 T HA 0.412 4.762 4.350 -0.001 0.000 0.302 93 T C -0.955 173.773 174.700 0.047 0.000 1.002 93 T CA -0.727 61.399 62.100 0.043 0.000 0.988 93 T CB 1.847 70.740 68.868 0.040 0.000 0.972 93 T HN -0.118 nan 8.240 nan 0.000 0.447 94 V N 3.836 123.780 119.914 0.051 0.000 2.472 94 V HA 0.427 4.546 4.120 -0.001 0.000 0.290 94 V C 0.402 176.540 176.094 0.074 0.000 1.037 94 V CA -0.965 61.368 62.300 0.055 0.000 0.908 94 V CB 1.674 33.527 31.823 0.050 0.000 0.985 94 V HN 0.695 nan 8.190 nan 0.000 0.454 95 K N 2.926 123.372 120.400 0.076 0.000 2.185 95 K HA 0.351 4.671 4.320 -0.001 0.000 0.271 95 K C -0.516 176.171 176.600 0.145 0.000 1.013 95 K CA -0.522 55.824 56.287 0.098 0.000 0.943 95 K CB 0.865 33.407 32.500 0.070 0.000 0.998 95 K HN 0.763 nan 8.250 nan 0.000 0.468 96 H N 1.607 120.716 119.070 0.064 0.000 2.489 96 H HA 0.121 4.676 4.556 -0.001 0.000 0.343 96 H C -1.448 173.944 175.328 0.106 0.000 1.086 96 H CA -0.626 55.468 56.048 0.075 0.000 1.198 96 H CB 1.680 31.496 29.762 0.089 0.000 1.490 96 H HN 0.571 nan 8.280 nan 0.000 0.504 97 D N 5.324 125.436 120.400 -0.480 0.000 2.443 97 D HA -0.027 4.612 4.640 -0.001 0.000 0.221 97 D C 1.048 177.117 176.300 -0.386 0.000 1.097 97 D CA -0.599 53.222 54.000 -0.298 0.000 0.865 97 D CB 0.234 40.949 40.800 -0.141 0.000 1.034 97 D HN 0.578 nan 8.370 nan 0.000 0.511 98 W N 4.336 125.448 121.300 -0.313 0.000 2.338 98 W HA -0.194 4.465 4.660 -0.001 0.000 0.304 98 W C 0.562 177.033 176.519 -0.079 0.000 1.212 98 W CA 1.200 58.462 57.345 -0.138 0.000 1.264 98 W CB 0.004 29.470 29.460 0.011 0.000 1.142 98 W HN 0.429 nan 8.180 nan 0.000 0.512 99 D N 0.033 120.562 120.400 0.215 0.000 2.116 99 D HA -0.248 4.391 4.640 -0.001 0.000 0.193 99 D C 2.159 178.444 176.300 -0.026 0.000 0.998 99 D CA 2.192 56.267 54.000 0.126 0.000 0.836 99 D CB -0.550 40.321 40.800 0.118 0.000 0.951 99 D HN 0.210 nan 8.370 nan 0.000 0.449 100 R N 0.010 120.474 120.500 -0.061 0.000 2.096 100 R HA -0.079 4.260 4.340 -0.001 0.000 0.235 100 R C 2.315 178.541 176.300 -0.122 0.000 1.127 100 R CA 1.035 57.087 56.100 -0.080 0.000 0.968 100 R CB -0.232 30.022 30.300 -0.077 0.000 0.861 100 R HN 0.169 nan 8.270 nan 0.000 0.440 101 M N 0.151 119.636 119.600 -0.192 0.000 2.066 101 M HA -0.186 4.293 4.480 -0.001 0.000 0.259 101 M C 1.728 177.872 176.300 -0.260 0.000 1.074 101 M CA 1.707 56.880 55.300 -0.212 0.000 1.114 101 M CB -0.110 32.356 32.600 -0.223 0.000 1.306 101 M HN 0.179 nan 8.290 nan 0.000 0.411 102 I N 0.912 121.243 120.570 -0.397 0.000 2.185 102 I HA -0.329 3.840 4.170 -0.001 0.000 0.246 102 I C 2.240 178.275 176.117 -0.136 0.000 1.088 102 I CA 1.846 62.959 61.300 -0.311 0.000 1.347 102 I CB -1.636 36.174 38.000 -0.317 0.000 1.041 102 I HN 0.483 nan 8.210 nan 0.000 0.415 103 E N 0.551 120.693 120.200 -0.096 0.000 2.051 103 E HA -0.195 4.154 4.350 -0.001 0.000 0.192 103 E C 2.326 178.897 176.600 -0.048 0.000 0.991 103 E CA 1.443 57.815 56.400 -0.046 0.000 0.799 103 E CB -0.103 29.578 29.700 -0.030 0.000 0.748 103 E HN 0.513 nan 8.360 nan 0.000 0.449 104 A N 0.862 123.641 122.820 -0.068 0.000 1.902 104 A HA -0.149 4.171 4.320 -0.001 0.000 0.217 104 A C 2.492 180.047 177.584 -0.048 0.000 1.181 104 A CA 1.220 53.223 52.037 -0.058 0.000 0.623 104 A CB -0.660 18.295 19.000 -0.075 0.000 0.818 104 A HN 0.120 nan 8.150 nan 0.000 0.443 105 V N 0.039 119.903 119.914 -0.083 0.000 2.343 105 V HA -0.269 3.850 4.120 -0.001 0.000 0.247 105 V C 2.714 178.798 176.094 -0.016 0.000 1.051 105 V CA 2.062 64.319 62.300 -0.071 0.000 1.036 105 V CB -0.752 30.995 31.823 -0.127 0.000 0.654 105 V HN 0.546 nan 8.190 nan 0.000 0.451 106 Q N -0.084 119.704 119.800 -0.020 0.000 2.123 106 Q HA -0.169 4.170 4.340 -0.001 0.000 0.199 106 Q C 2.162 178.167 176.000 0.009 0.000 0.966 106 Q CA 1.702 57.508 55.803 0.004 0.000 0.845 106 Q CB -0.690 28.059 28.738 0.018 0.000 0.907 106 Q HN 0.772 nan 8.270 nan 0.000 0.439 107 N N 0.152 118.856 118.700 0.006 0.000 2.223 107 N HA -0.205 4.534 4.740 -0.001 0.000 0.185 107 N C 1.649 177.167 175.510 0.014 0.000 1.016 107 N CA 1.369 54.420 53.050 0.003 0.000 0.863 107 N CB -0.057 38.427 38.487 -0.004 0.000 0.983 107 N HN 0.271 nan 8.380 nan 0.000 0.429 108 H N -0.224 118.814 119.070 -0.053 0.000 2.372 108 H HA 0.182 4.737 4.556 -0.001 0.000 0.301 108 H C 1.817 177.124 175.328 -0.035 0.000 1.065 108 H CA 1.465 57.481 56.048 -0.053 0.000 1.364 108 H CB -0.132 29.584 29.762 -0.078 0.000 1.406 108 H HN 0.240 nan 8.280 nan 0.000 0.521 109 I N -0.059 120.465 120.570 -0.077 0.000 2.286 109 I HA -0.181 3.988 4.170 -0.001 0.000 0.248 109 I C 2.643 178.720 176.117 -0.068 0.000 1.115 109 I CA 1.187 62.429 61.300 -0.096 0.000 1.392 109 I CB -0.625 37.354 38.000 -0.035 0.000 1.065 109 I HN 0.444 nan 8.210 nan 0.000 0.418 110 G N 0.932 109.711 108.800 -0.035 0.000 2.418 110 G HA2 -0.282 3.677 3.960 -0.001 0.000 0.217 110 G HA3 -0.282 3.677 3.960 -0.001 0.000 0.217 110 G C 1.817 176.725 174.900 0.013 0.000 1.158 110 G CA 1.111 46.216 45.100 0.008 0.000 0.771 110 G HN 0.521 nan 8.290 nan 0.000 0.545 111 S N 0.509 116.171 115.700 -0.064 0.000 2.402 111 S HA 0.046 4.515 4.470 -0.001 0.000 0.229 111 S C 2.331 176.944 174.600 0.022 0.000 1.021 111 S CA 0.939 59.131 58.200 -0.015 0.000 0.974 111 S CB -0.348 62.792 63.200 -0.099 0.000 0.800 111 S HN 0.296 nan 8.310 nan 0.000 0.484 112 L N 1.536 122.670 121.223 -0.149 0.000 2.056 112 L HA -0.085 4.254 4.340 -0.001 0.000 0.207 112 L C 2.707 179.580 176.870 0.003 0.000 1.078 112 L CA 1.109 55.857 54.840 -0.154 0.000 0.749 112 L CB -0.876 41.096 42.059 -0.145 0.000 0.901 112 L HN 0.324 nan 8.230 nan 0.000 0.433 113 N N -0.162 118.585 118.700 0.079 0.000 2.018 113 N HA -0.268 4.472 4.740 -0.001 0.000 0.196 113 N C 1.524 177.105 175.510 0.119 0.000 1.043 113 N CA 1.832 54.960 53.050 0.130 0.000 0.856 113 N CB -0.575 37.990 38.487 0.130 0.000 1.042 113 N HN 0.446 nan 8.380 nan 0.000 0.423 114 W N 2.013 123.290 121.300 -0.038 0.000 2.335 114 W HA -0.098 4.561 4.660 -0.001 0.000 0.311 114 W C 2.357 178.830 176.519 -0.077 0.000 1.213 114 W CA 2.232 59.550 57.345 -0.046 0.000 1.274 114 W CB -0.898 28.531 29.460 -0.051 0.000 1.148 114 W HN 0.071 nan 8.180 nan 0.000 0.498 115 G N -0.842 107.838 108.800 -0.201 0.000 2.442 115 G HA2 -0.351 3.608 3.960 -0.001 0.000 0.219 115 G HA3 -0.351 3.608 3.960 -0.001 0.000 0.219 115 G C 1.209 175.789 174.900 -0.533 0.000 1.141 115 G CA 1.297 46.055 45.100 -0.570 0.000 0.763 115 G HN 0.368 nan 8.290 nan 0.000 0.554 116 Y N 0.514 120.648 120.300 -0.275 0.000 2.220 116 Y HA 0.066 4.616 4.550 -0.001 0.000 0.291 116 Y C 3.046 178.748 175.900 -0.330 0.000 1.129 116 Y CA 0.999 58.943 58.100 -0.259 0.000 1.161 116 Y CB -0.306 38.035 38.460 -0.198 0.000 0.997 116 Y HN 0.056 nan 8.280 nan 0.000 0.522 117 R N -0.642 119.729 120.500 -0.214 0.000 2.083 117 R HA -0.140 4.200 4.340 -0.001 0.000 0.237 117 R C 2.202 178.325 176.300 -0.295 0.000 1.137 117 R CA 1.673 57.605 56.100 -0.280 0.000 0.951 117 R CB -0.785 29.397 30.300 -0.198 0.000 0.851 117 R HN 0.134 nan 8.270 nan 0.000 0.434 118 V N 0.737 120.357 119.914 -0.491 0.000 2.407 118 V HA -0.234 3.885 4.120 -0.001 0.000 0.248 118 V C 2.304 178.207 176.094 -0.319 0.000 1.055 118 V CA 1.893 63.896 62.300 -0.494 0.000 1.049 118 V CB -0.665 30.632 31.823 -0.876 0.000 0.662 118 V HN 0.446 nan 8.190 nan 0.000 0.455 119 A N -0.149 122.500 122.820 -0.284 0.000 1.902 119 A HA -0.125 4.194 4.320 -0.001 0.000 0.217 119 A C 2.194 179.711 177.584 -0.112 0.000 1.181 119 A CA 1.617 53.553 52.037 -0.169 0.000 0.623 119 A CB -0.465 18.474 19.000 -0.100 0.000 0.818 119 A HN 0.509 nan 8.150 nan 0.000 0.443 120 L N -1.308 119.849 121.223 -0.110 0.000 2.093 120 L HA -0.154 4.185 4.340 -0.001 0.000 0.208 120 L C 2.739 179.573 176.870 -0.060 0.000 1.085 120 L CA 1.569 56.361 54.840 -0.079 0.000 0.755 120 L CB -0.438 41.564 42.059 -0.096 0.000 0.904 120 L HN 0.359 nan 8.230 nan 0.000 0.435 121 R N 0.822 121.276 120.500 -0.077 0.000 2.073 121 R HA -0.212 4.127 4.340 -0.001 0.000 0.234 121 R C 2.136 178.404 176.300 -0.053 0.000 1.134 121 R CA 1.638 57.708 56.100 -0.050 0.000 0.952 121 R CB -0.330 29.934 30.300 -0.060 0.000 0.850 121 R HN 0.198 nan 8.270 nan 0.000 0.433 122 E N 0.263 120.415 120.200 -0.080 0.000 2.085 122 E HA -0.141 4.209 4.350 -0.001 0.000 0.194 122 E C 0.933 177.496 176.600 -0.062 0.000 0.994 122 E CA 1.415 57.771 56.400 -0.072 0.000 0.801 122 E CB 0.100 29.744 29.700 -0.094 0.000 0.743 122 E HN 0.084 nan 8.360 nan 0.000 0.453 123 K N 0.507 120.869 120.400 -0.064 0.000 2.505 123 K HA 0.049 4.369 4.320 -0.001 0.000 0.192 123 K C -0.147 176.425 176.600 -0.047 0.000 1.025 123 K CA 0.189 56.439 56.287 -0.062 0.000 1.086 123 K CB 0.200 32.661 32.500 -0.065 0.000 0.840 123 K HN 0.149 nan 8.250 nan 0.000 0.514 124 K N 0.176 120.556 120.400 -0.033 0.000 3.117 124 K HA -0.136 4.183 4.320 -0.001 0.000 0.269 124 K C -0.574 176.028 176.600 0.003 0.000 1.098 124 K CA 0.225 56.504 56.287 -0.013 0.000 0.785 124 K CB -1.787 30.702 32.500 -0.018 0.000 1.242 124 K HN -0.084 nan 8.250 nan 0.000 0.491 125 V N 1.478 121.392 119.914 0.000 0.000 2.439 125 V HA 0.205 4.324 4.120 -0.001 0.000 0.282 125 V C 0.649 176.766 176.094 0.038 0.000 1.039 125 V CA -0.820 61.486 62.300 0.010 0.000 0.913 125 V CB 1.815 33.629 31.823 -0.016 0.000 0.983 125 V HN 0.055 nan 8.190 nan 0.000 0.460 126 V N 5.759 125.702 119.914 0.049 0.000 2.488 126 V HA 0.165 4.284 4.120 -0.001 0.000 0.277 126 V C -0.477 175.642 176.094 0.042 0.000 1.046 126 V CA -0.337 61.996 62.300 0.054 0.000 0.986 126 V CB 0.678 32.543 31.823 0.070 0.000 0.989 126 V HN 0.748 nan 8.190 nan 0.000 0.475 127 Y N 4.685 124.950 120.300 -0.059 0.000 2.334 127 Y HA 0.553 5.102 4.550 -0.001 0.000 0.336 127 Y C -0.108 175.763 175.900 -0.048 0.000 0.960 127 Y CA -1.130 56.931 58.100 -0.065 0.000 1.164 127 Y CB 1.167 39.605 38.460 -0.036 0.000 1.155 127 Y HN 0.598 nan 8.280 nan 0.000 0.478 128 E N 5.314 125.234 120.200 -0.467 0.000 2.129 128 E HA 0.120 4.470 4.350 -0.001 0.000 0.268 128 E C -0.841 175.408 176.600 -0.584 0.000 0.900 128 E CA -0.491 55.600 56.400 -0.514 0.000 0.755 128 E CB 1.155 30.703 29.700 -0.253 0.000 1.117 128 E HN 0.834 nan 8.360 nan 0.000 0.410 129 N N 2.140 120.480 118.700 -0.600 0.000 2.971 129 N HA 0.225 4.965 4.740 -0.001 0.000 0.294 129 N C -1.074 174.456 175.510 0.033 0.000 1.210 129 N CA -0.090 52.845 53.050 -0.191 0.000 1.157 129 N CB 0.103 38.545 38.487 -0.074 0.000 1.450 129 N HN 0.387 nan 8.380 nan 0.000 0.527 130 A N 2.227 125.072 122.820 0.042 0.000 2.539 130 A HA 0.267 4.586 4.320 -0.001 0.000 0.296 130 A C -1.716 175.894 177.584 0.043 0.000 1.073 130 A CA -0.622 51.406 52.037 -0.014 0.000 0.700 130 A CB 0.801 19.781 19.000 -0.034 0.000 1.296 130 A HN 0.569 nan 8.150 nan 0.000 0.405 131 Y N 1.121 121.269 120.300 -0.253 0.000 2.316 131 Y HA 0.501 5.050 4.550 -0.001 0.000 0.331 131 Y C 0.742 176.597 175.900 -0.074 0.000 1.083 131 Y CA 0.569 58.600 58.100 -0.115 0.000 1.206 131 Y CB 0.973 39.269 38.460 -0.274 0.000 1.195 131 Y HN 0.836 nan 8.280 nan 0.000 0.497 132 G N 4.303 113.039 108.800 -0.107 0.000 2.489 132 G HA2 0.606 4.565 3.960 -0.001 0.000 0.327 132 G HA3 0.606 4.565 3.960 -0.001 0.000 0.327 132 G C -1.961 172.965 174.900 0.043 0.000 1.189 132 G CA -0.896 44.189 45.100 -0.026 0.000 0.962 132 G HN 0.724 nan 8.290 nan 0.000 0.486 133 Q N -0.141 119.661 119.800 0.004 0.000 2.468 133 Q HA 0.313 4.652 4.340 -0.001 0.000 0.263 133 Q C -1.654 174.341 176.000 -0.008 0.000 0.979 133 Q CA -0.871 54.977 55.803 0.076 0.000 0.932 133 Q CB 0.972 29.831 28.738 0.201 0.000 1.462 133 Q HN 0.394 nan 8.270 nan 0.000 0.403 134 F N 2.480 122.386 119.950 -0.074 0.000 2.471 134 F HA 0.215 4.741 4.527 -0.001 0.000 0.353 134 F C 1.531 177.301 175.800 -0.050 0.000 1.113 134 F CA -0.038 57.888 58.000 -0.122 0.000 1.262 134 F CB 0.739 39.635 39.000 -0.174 0.000 1.146 134 F HN 0.673 nan 8.300 nan 0.000 0.578 135 I N -0.730 119.927 120.570 0.145 0.000 4.323 135 I HA 0.634 4.803 4.170 -0.001 0.000 0.328 135 I C 0.586 176.763 176.117 0.100 0.000 1.310 135 I CA 0.094 61.453 61.300 0.098 0.000 1.186 135 I CB 0.632 38.672 38.000 0.065 0.000 1.130 135 I HN 0.566 nan 8.210 nan 0.000 0.411 136 G N 1.009 109.889 108.800 0.133 0.000 2.355 136 G HA2 0.333 4.292 3.960 -0.001 0.000 0.296 136 G HA3 0.333 4.292 3.960 -0.001 0.000 0.296 136 G C -3.239 171.771 174.900 0.183 0.000 1.507 136 G CA -0.946 44.231 45.100 0.128 0.000 0.823 136 G HN -0.221 nan 8.290 nan 0.000 0.569 137 P HA -0.046 nan 4.420 nan 0.000 0.263 137 P C 0.399 177.904 177.300 0.340 0.000 1.145 137 P CA 0.920 64.175 63.100 0.258 0.000 0.755 137 P CB -0.042 31.797 31.700 0.231 0.000 0.746 138 H N -0.136 119.128 119.070 0.323 0.000 2.932 138 H HA -0.234 4.321 4.556 -0.001 0.000 0.290 138 H C 0.219 175.784 175.328 0.395 0.000 1.108 138 H CA 1.192 57.452 56.048 0.353 0.000 1.172 138 H CB -0.756 29.042 29.762 0.060 0.000 1.325 138 H HN 0.541 nan 8.280 nan 0.000 0.354 139 R N 0.051 120.744 120.500 0.321 0.000 2.795 139 R HA 0.777 5.116 4.340 -0.001 0.000 0.275 139 R C -0.089 176.233 176.300 0.036 0.000 0.981 139 R CA -0.667 55.572 56.100 0.231 0.000 0.917 139 R CB 3.014 33.440 30.300 0.209 0.000 1.202 139 R HN 0.187 nan 8.270 nan 0.000 0.469 140 I N -0.448 120.143 120.570 0.035 0.000 3.004 140 I HA 0.450 4.619 4.170 -0.001 0.000 0.305 140 I C -1.746 174.389 176.117 0.030 0.000 1.312 140 I CA -0.825 60.410 61.300 -0.108 0.000 0.992 140 I CB 2.609 40.355 38.000 -0.423 0.000 1.282 140 I HN 0.505 nan 8.210 nan 0.000 0.449 141 K N 4.845 125.250 120.400 0.007 0.000 2.221 141 K HA 0.821 5.140 4.320 -0.001 0.000 0.258 141 K C -1.452 175.186 176.600 0.062 0.000 0.944 141 K CA -0.598 55.713 56.287 0.040 0.000 0.823 141 K CB 1.948 34.461 32.500 0.022 0.000 1.113 141 K HN 0.770 nan 8.250 nan 0.000 0.431 142 A N 2.662 125.537 122.820 0.092 0.000 2.330 142 A HA 0.516 4.836 4.320 -0.001 0.000 0.313 142 A C -1.051 176.552 177.584 0.030 0.000 1.124 142 A CA -0.637 51.458 52.037 0.096 0.000 0.774 142 A CB 1.394 20.521 19.000 0.213 0.000 1.198 142 A HN 0.651 nan 8.150 nan 0.000 0.465 143 T N 3.279 117.821 114.554 -0.020 0.000 2.792 143 T HA 0.423 4.772 4.350 -0.001 0.000 0.280 143 T C 0.284 174.865 174.700 -0.198 0.000 0.990 143 T CA -0.867 61.170 62.100 -0.104 0.000 0.960 143 T CB 1.003 69.781 68.868 -0.149 0.000 0.939 143 T HN 0.853 nan 8.240 nan 0.000 0.439 144 N N 2.556 121.161 118.700 -0.159 0.000 2.418 144 N HA 0.126 4.866 4.740 -0.001 0.000 0.283 144 N C 1.023 176.404 175.510 -0.215 0.000 1.267 144 N CA -0.648 52.298 53.050 -0.173 0.000 0.975 144 N CB 0.470 38.917 38.487 -0.067 0.000 1.167 144 N HN 0.660 nan 8.380 nan 0.000 0.581 145 N N -0.370 118.277 118.700 -0.088 0.000 2.060 145 N HA -0.191 4.549 4.740 -0.001 0.000 0.195 145 N C 0.737 176.236 175.510 -0.019 0.000 1.028 145 N CA 1.096 54.156 53.050 0.016 0.000 0.861 145 N CB 0.033 38.588 38.487 0.114 0.000 1.029 145 N HN 0.390 nan 8.380 nan 0.000 0.428 146 K N 0.006 120.392 120.400 -0.024 0.000 2.476 146 K HA 0.045 4.365 4.320 -0.001 0.000 0.196 146 K C 0.723 177.296 176.600 -0.045 0.000 1.025 146 K CA 0.504 56.777 56.287 -0.023 0.000 1.138 146 K CB -0.038 32.457 32.500 -0.008 0.000 0.860 146 K HN 0.512 nan 8.250 nan 0.000 0.515 147 G N 1.294 110.048 108.800 -0.077 0.000 2.241 147 G HA2 -0.237 3.722 3.960 -0.001 0.000 0.244 147 G HA3 -0.237 3.722 3.960 -0.001 0.000 0.244 147 G C -0.086 174.771 174.900 -0.072 0.000 0.998 147 G CA -0.106 44.944 45.100 -0.082 0.000 0.621 147 G HN 0.206 nan 8.290 nan 0.000 0.519 148 K N 2.019 122.384 120.400 -0.057 0.000 2.484 148 K HA 0.310 4.629 4.320 -0.001 0.000 0.280 148 K C 0.589 177.157 176.600 -0.054 0.000 1.013 148 K CA 0.600 56.859 56.287 -0.047 0.000 1.029 148 K CB 0.643 33.123 32.500 -0.033 0.000 0.902 148 K HN 0.703 nan 8.250 nan 0.000 0.481 149 E N 1.889 122.057 120.200 -0.052 0.000 2.281 149 E HA 0.505 4.854 4.350 -0.001 0.000 0.262 149 E C -0.674 175.882 176.600 -0.074 0.000 0.933 149 E CA -0.949 55.418 56.400 -0.055 0.000 0.809 149 E CB 1.976 31.645 29.700 -0.052 0.000 1.242 149 E HN 0.270 nan 8.360 nan 0.000 0.418 150 K N 1.056 121.396 120.400 -0.101 0.000 2.572 150 K HA 0.377 4.696 4.320 -0.001 0.000 0.263 150 K C -1.283 175.141 176.600 -0.294 0.000 0.932 150 K CA -0.616 55.531 56.287 -0.234 0.000 0.838 150 K CB 1.570 33.865 32.500 -0.342 0.000 1.366 150 K HN 0.330 nan 8.250 nan 0.000 0.425 151 I N 2.242 122.613 120.570 -0.331 0.000 2.498 151 I HA 0.471 4.640 4.170 -0.001 0.000 0.301 151 I C -0.569 175.373 176.117 -0.291 0.000 0.984 151 I CA -0.576 60.614 61.300 -0.184 0.000 1.204 151 I CB 0.797 38.762 38.000 -0.058 0.000 1.362 151 I HN 0.583 nan 8.210 nan 0.000 0.471 152 Y N 1.560 121.932 120.300 0.120 0.000 2.597 152 Y HA 0.452 5.001 4.550 -0.001 0.000 0.340 152 Y C 0.170 176.233 175.900 0.272 0.000 1.097 152 Y CA -0.775 57.446 58.100 0.200 0.000 1.037 152 Y CB 2.089 40.668 38.460 0.197 0.000 1.305 152 Y HN 0.603 nan 8.280 nan 0.000 0.463 153 S N 0.859 116.870 115.700 0.518 0.000 2.671 153 S HA 1.015 5.484 4.470 -0.001 0.000 0.299 153 S C -1.035 173.809 174.600 0.408 0.000 1.116 153 S CA -0.404 58.101 58.200 0.508 0.000 0.912 153 S CB 2.371 65.869 63.200 0.497 0.000 1.130 153 S HN 1.411 nan 8.310 nan 0.000 0.501 154 A N 0.023 122.941 122.820 0.163 0.000 2.599 154 A HA 0.601 4.921 4.320 -0.001 0.000 0.294 154 A C 0.207 177.434 177.584 -0.595 0.000 1.055 154 A CA -0.378 51.541 52.037 -0.196 0.000 0.683 154 A CB 0.684 19.457 19.000 -0.378 0.000 1.278 154 A HN 0.917 nan 8.150 nan 0.000 0.412 155 E N -0.060 119.806 120.200 -0.557 0.000 2.204 155 E HA -0.062 4.287 4.350 -0.001 0.000 0.194 155 E C 0.289 176.896 176.600 0.013 0.000 0.989 155 E CA 0.929 57.052 56.400 -0.462 0.000 0.824 155 E CB 0.120 29.791 29.700 -0.048 0.000 0.756 155 E HN 0.484 nan 8.360 nan 0.000 0.477 156 R N -0.924 119.558 120.500 -0.031 0.000 2.698 156 R HA 0.378 4.717 4.340 -0.001 0.000 0.275 156 R C -1.490 174.723 176.300 -0.145 0.000 1.001 156 R CA -0.623 55.582 56.100 0.174 0.000 0.896 156 R CB 1.407 31.830 30.300 0.205 0.000 1.218 156 R HN -0.120 nan 8.270 nan 0.000 0.462 157 F N 1.501 121.630 119.950 0.299 0.000 2.546 157 F HA 0.509 5.036 4.527 -0.001 0.000 0.320 157 F C -0.527 175.395 175.800 0.204 0.000 1.076 157 F CA -1.015 57.115 58.000 0.217 0.000 0.928 157 F CB 1.751 40.929 39.000 0.297 0.000 1.189 157 F HN 0.164 nan 8.300 nan 0.000 0.465 158 L N 4.624 126.042 121.223 0.325 0.000 2.349 158 L HA 0.605 4.944 4.340 -0.001 0.000 0.278 158 L C -1.041 175.957 176.870 0.214 0.000 0.996 158 L CA -0.571 54.408 54.840 0.232 0.000 0.825 158 L CB 0.981 43.114 42.059 0.123 0.000 1.243 158 L HN 0.418 nan 8.230 nan 0.000 0.412 159 I N 5.134 125.823 120.570 0.199 0.000 2.325 159 I HA 0.618 4.787 4.170 -0.001 0.000 0.291 159 I C 0.357 176.532 176.117 0.098 0.000 1.019 159 I CA -0.412 60.981 61.300 0.155 0.000 1.302 159 I CB 1.432 39.516 38.000 0.141 0.000 1.401 159 I HN 0.817 nan 8.210 nan 0.000 0.485 160 A N 3.519 126.380 122.820 0.068 0.000 3.415 160 A HA 0.293 4.612 4.320 -0.001 0.000 0.244 160 A C 0.767 178.369 177.584 0.030 0.000 0.988 160 A CA -0.391 51.674 52.037 0.047 0.000 0.991 160 A CB -0.291 18.731 19.000 0.036 0.000 1.240 160 A HN 0.769 nan 8.150 nan 0.000 0.541 161 T N -2.757 111.817 114.554 0.033 0.000 3.067 161 T HA 0.432 4.782 4.350 -0.001 0.000 0.261 161 T C 1.447 176.169 174.700 0.037 0.000 1.110 161 T CA 1.143 63.255 62.100 0.021 0.000 1.113 161 T CB -0.125 68.750 68.868 0.012 0.000 0.917 161 T HN 2.156 nan 8.240 nan 0.000 0.499 162 G N 1.042 109.867 108.800 0.043 0.000 2.553 162 G HA2 -0.118 3.842 3.960 -0.001 0.000 0.242 162 G HA3 -0.118 3.842 3.960 -0.001 0.000 0.242 162 G C -0.747 174.190 174.900 0.062 0.000 1.277 162 G CA -0.081 45.049 45.100 0.051 0.000 0.910 162 G HN 0.642 nan 8.290 nan 0.000 0.576 163 E N -0.728 119.517 120.200 0.075 0.000 2.459 163 E HA 0.753 5.102 4.350 -0.001 0.000 0.275 163 E C -0.569 176.098 176.600 0.112 0.000 0.987 163 E CA -1.123 55.328 56.400 0.085 0.000 0.828 163 E CB 1.709 31.451 29.700 0.071 0.000 1.428 163 E HN 0.502 nan 8.360 nan 0.000 0.457 164 R N 0.368 120.938 120.500 0.117 0.000 2.740 164 R HA 0.430 4.769 4.340 -0.001 0.000 0.273 164 R C -2.813 173.559 176.300 0.121 0.000 0.998 164 R CA -2.468 53.718 56.100 0.144 0.000 0.900 164 R CB 0.989 31.387 30.300 0.164 0.000 1.223 164 R HN 0.303 nan 8.270 nan 0.000 0.466 165 P HA 0.024 nan 4.420 nan 0.000 0.262 165 P C -0.165 177.172 177.300 0.062 0.000 1.182 165 P CA 0.159 63.288 63.100 0.049 0.000 0.761 165 P CB 0.511 32.207 31.700 -0.006 0.000 0.795 166 R N 3.354 123.879 120.500 0.042 0.000 2.531 166 R HA 0.316 4.655 4.340 -0.001 0.000 0.273 166 R C -0.825 175.514 176.300 0.064 0.000 1.070 166 R CA -0.233 55.920 56.100 0.089 0.000 1.112 166 R CB 0.322 30.668 30.300 0.076 0.000 1.049 166 R HN 0.366 nan 8.270 nan 0.000 0.508 167 Y N 1.590 121.919 120.300 0.047 0.000 2.567 167 Y HA 0.221 4.771 4.550 -0.001 0.000 0.333 167 Y C 1.051 176.974 175.900 0.040 0.000 1.106 167 Y CA -0.680 57.445 58.100 0.041 0.000 1.157 167 Y CB 1.787 40.268 38.460 0.036 0.000 1.277 167 Y HN 0.470 nan 8.280 nan 0.000 0.490 168 L N 1.273 122.640 121.223 0.241 0.000 2.179 168 L HA 0.133 4.472 4.340 -0.001 0.000 0.208 168 L C 0.953 177.899 176.870 0.127 0.000 1.096 168 L CA 0.962 55.889 54.840 0.146 0.000 0.779 168 L CB -0.412 41.719 42.059 0.121 0.000 0.922 168 L HN 1.043 nan 8.230 nan 0.000 0.443 169 G N 1.823 110.705 108.800 0.137 0.000 2.368 169 G HA2 -0.220 3.739 3.960 -0.001 0.000 0.290 169 G HA3 -0.220 3.739 3.960 -0.001 0.000 0.290 169 G C -0.398 174.543 174.900 0.068 0.000 1.098 169 G CA 0.358 45.503 45.100 0.076 0.000 1.073 169 G HN 0.372 nan 8.290 nan 0.000 0.511 170 I N -2.871 117.746 120.570 0.079 0.000 2.894 170 I HA 0.820 4.990 4.170 -0.001 0.000 0.302 170 I C -2.506 173.658 176.117 0.077 0.000 1.188 170 I CA -3.606 57.739 61.300 0.074 0.000 1.014 170 I CB 1.825 39.875 38.000 0.083 0.000 1.242 170 I HN -0.061 nan 8.210 nan 0.000 0.430 171 P HA 0.163 nan 4.420 nan 0.000 0.260 171 P C 0.838 178.228 177.300 0.150 0.000 1.185 171 P CA 1.196 64.351 63.100 0.091 0.000 0.763 171 P CB 0.476 32.226 31.700 0.083 0.000 0.776 172 G N 3.738 112.635 108.800 0.161 0.000 2.232 172 G HA2 -0.266 3.694 3.960 -0.001 0.000 0.226 172 G HA3 -0.266 3.694 3.960 -0.001 0.000 0.226 172 G C 0.770 175.788 174.900 0.196 0.000 0.996 172 G CA 0.540 45.825 45.100 0.308 0.000 0.626 172 G HN 0.561 nan 8.290 nan 0.000 0.509 173 D N 1.340 121.833 120.400 0.154 0.000 2.106 173 D HA -0.099 4.540 4.640 -0.001 0.000 0.194 173 D C 1.980 178.412 176.300 0.219 0.000 0.988 173 D CA 1.756 55.898 54.000 0.236 0.000 0.845 173 D CB -0.760 40.233 40.800 0.320 0.000 0.990 173 D HN 0.443 nan 8.370 nan 0.000 0.448 174 K N 0.003 120.357 120.400 -0.077 0.000 2.360 174 K HA -0.131 4.188 4.320 -0.001 0.000 0.201 174 K C 2.072 178.560 176.600 -0.186 0.000 1.046 174 K CA 1.361 57.453 56.287 -0.326 0.000 0.940 174 K CB -0.070 32.062 32.500 -0.613 0.000 0.748 174 K HN 0.333 nan 8.250 nan 0.000 0.465 175 E N -0.627 119.393 120.200 -0.299 0.000 2.102 175 E HA -0.081 4.268 4.350 -0.001 0.000 0.190 175 E C 0.974 177.199 176.600 -0.625 0.000 0.971 175 E CA 1.077 57.118 56.400 -0.598 0.000 0.821 175 E CB 0.067 29.149 29.700 -1.030 0.000 0.777 175 E HN 0.381 nan 8.360 nan 0.000 0.460 176 Y N -1.274 119.077 120.300 0.084 0.000 2.426 176 Y HA 0.315 4.865 4.550 -0.001 0.000 0.249 176 Y C 0.444 176.405 175.900 0.101 0.000 1.103 176 Y CA -0.926 57.224 58.100 0.083 0.000 1.256 176 Y CB 0.112 38.608 38.460 0.061 0.000 1.208 176 Y HN -0.065 nan 8.280 nan 0.000 0.519 177 C N 2.915 122.354 119.300 0.231 0.000 2.398 177 C HA 0.634 5.093 4.460 -0.001 0.000 0.364 177 C C 0.665 175.739 174.990 0.140 0.000 1.219 177 C CA -1.359 57.763 59.018 0.173 0.000 2.312 177 C CB -0.005 27.825 27.740 0.150 0.000 2.428 177 C HN 0.386 nan 8.230 nan 0.000 0.564 178 I N 0.806 121.414 120.570 0.063 0.000 2.822 178 I HA 0.828 4.998 4.170 -0.001 0.000 0.312 178 I C 0.110 176.187 176.117 -0.066 0.000 1.011 178 I CA -0.010 61.307 61.300 0.029 0.000 1.105 178 I CB 1.827 39.837 38.000 0.017 0.000 1.291 178 I HN 0.708 nan 8.210 nan 0.000 0.474 179 S N 1.477 117.126 115.700 -0.084 0.000 2.823 179 S HA 0.378 4.847 4.470 -0.001 0.000 0.316 179 S C 0.997 175.520 174.600 -0.129 0.000 1.116 179 S CA 0.057 58.173 58.200 -0.141 0.000 0.911 179 S CB 1.054 64.142 63.200 -0.186 0.000 1.276 179 S HN 0.881 nan 8.310 nan 0.000 0.565 180 S N 0.471 116.100 115.700 -0.120 0.000 2.400 180 S HA -0.160 4.310 4.470 -0.001 0.000 0.232 180 S C 1.132 175.627 174.600 -0.176 0.000 1.025 180 S CA 1.616 59.704 58.200 -0.186 0.000 0.993 180 S CB -1.054 62.155 63.200 0.015 0.000 0.808 180 S HN 0.716 nan 8.310 nan 0.000 0.478 181 D N 1.977 122.370 120.400 -0.012 0.000 2.149 181 D HA -0.071 4.569 4.640 -0.001 0.000 0.198 181 D C 1.550 177.909 176.300 0.098 0.000 0.990 181 D CA 1.308 55.356 54.000 0.081 0.000 0.839 181 D CB -0.313 40.669 40.800 0.303 0.000 0.948 181 D HN 0.534 nan 8.370 nan 0.000 0.460 182 D N -0.270 120.154 120.400 0.040 0.000 2.262 182 D HA -0.053 4.586 4.640 -0.001 0.000 0.212 182 D C 2.227 178.510 176.300 -0.028 0.000 0.964 182 D CA -0.039 53.991 54.000 0.051 0.000 0.875 182 D CB -0.077 40.758 40.800 0.058 0.000 0.996 182 D HN 0.107 nan 8.370 nan 0.000 0.497 183 L N 0.913 122.036 121.223 -0.167 0.000 2.013 183 L HA -0.186 4.153 4.340 -0.001 0.000 0.212 183 L C 1.722 178.491 176.870 -0.168 0.000 1.073 183 L CA 1.639 56.351 54.840 -0.214 0.000 0.753 183 L CB -0.831 40.969 42.059 -0.432 0.000 0.890 183 L HN -0.144 nan 8.230 nan 0.000 0.432 184 F N -0.406 119.596 119.950 0.087 0.000 2.722 184 F HA 0.002 4.528 4.527 -0.001 0.000 0.298 184 F C 1.959 177.760 175.800 0.001 0.000 1.175 184 F CA 0.760 58.769 58.000 0.016 0.000 1.462 184 F CB -0.945 38.015 39.000 -0.068 0.000 1.111 184 F HN 0.361 nan 8.300 nan 0.000 0.592 185 S N -1.878 113.914 115.700 0.153 0.000 2.960 185 S HA 0.229 4.698 4.470 -0.001 0.000 0.256 185 S C 0.078 174.757 174.600 0.132 0.000 1.017 185 S CA -0.504 57.774 58.200 0.131 0.000 1.144 185 S CB -0.538 62.745 63.200 0.138 0.000 1.109 185 S HN 0.027 nan 8.310 nan 0.000 0.638 186 L N 4.793 126.109 121.223 0.156 0.000 2.706 186 L HA 0.119 4.458 4.340 -0.001 0.000 0.282 186 L C -1.368 175.537 176.870 0.058 0.000 1.219 186 L CA -0.547 54.307 54.840 0.024 0.000 0.935 186 L CB 0.224 42.271 42.059 -0.020 0.000 1.204 186 L HN 0.074 nan 8.230 nan 0.000 0.491 187 P HA -0.054 nan 4.420 nan 0.000 0.242 187 P C -1.131 176.215 177.300 0.077 0.000 1.197 187 P CA 0.698 63.826 63.100 0.047 0.000 0.765 187 P CB -0.153 31.601 31.700 0.091 0.000 0.936 188 Y N -3.297 117.057 120.300 0.090 0.000 2.625 188 Y HA 0.487 5.036 4.550 -0.001 0.000 0.338 188 Y C -0.618 174.969 175.900 -0.521 0.000 1.123 188 Y CA -2.480 55.572 58.100 -0.080 0.000 1.046 188 Y CB -0.063 38.356 38.460 -0.068 0.000 1.299 188 Y HN -0.273 nan 8.280 nan 0.000 0.464 189 C N 5.078 124.170 119.300 -0.347 0.000 2.633 189 C HA 0.215 4.674 4.460 -0.001 0.000 0.415 189 C C -0.724 174.028 174.990 -0.397 0.000 1.393 189 C CA -0.953 57.612 59.018 -0.755 0.000 1.700 189 C CB -0.098 27.496 27.740 -0.244 0.000 2.541 189 C HN 0.733 nan 8.230 nan 0.000 0.603 190 P HA 0.115 nan 4.420 nan 0.000 0.230 190 P C 0.943 178.193 177.300 -0.084 0.000 1.158 190 P CA 1.703 64.669 63.100 -0.223 0.000 0.769 190 P CB -0.194 31.328 31.700 -0.296 0.000 0.807 191 G N 1.025 109.764 108.800 -0.102 0.000 2.633 191 G HA2 -0.320 3.639 3.960 -0.001 0.000 0.263 191 G HA3 -0.320 3.639 3.960 -0.001 0.000 0.263 191 G C -0.380 174.521 174.900 0.001 0.000 1.310 191 G CA -0.091 44.990 45.100 -0.032 0.000 0.914 191 G HN 0.526 nan 8.290 nan 0.000 0.569 192 K N 0.269 120.687 120.400 0.030 0.000 2.504 192 K HA 0.320 4.639 4.320 -0.001 0.000 0.278 192 K C -0.050 176.609 176.600 0.098 0.000 1.025 192 K CA 1.346 57.681 56.287 0.079 0.000 1.093 192 K CB -0.223 32.336 32.500 0.098 0.000 0.873 192 K HN 0.589 nan 8.250 nan 0.000 0.483 193 T N 4.580 119.161 114.554 0.045 0.000 2.893 193 T HA 0.373 4.722 4.350 -0.001 0.000 0.291 193 T C -1.414 173.108 174.700 -0.297 0.000 1.028 193 T CA -0.775 61.281 62.100 -0.074 0.000 0.995 193 T CB 1.190 70.005 68.868 -0.087 0.000 1.051 193 T HN 0.447 nan 8.240 nan 0.000 0.470 194 L N 3.689 124.602 121.223 -0.516 0.000 2.313 194 L HA 0.759 5.099 4.340 -0.001 0.000 0.283 194 L C -1.153 175.490 176.870 -0.378 0.000 1.013 194 L CA -0.481 53.907 54.840 -0.753 0.000 0.816 194 L CB 1.207 42.551 42.059 -1.191 0.000 1.236 194 L HN 0.448 nan 8.230 nan 0.000 0.419 195 V N 5.774 125.508 119.914 -0.300 0.000 2.459 195 V HA 0.543 4.663 4.120 -0.001 0.000 0.295 195 V C -0.465 175.537 176.094 -0.154 0.000 1.029 195 V CA -0.701 61.478 62.300 -0.201 0.000 0.874 195 V CB 1.868 33.576 31.823 -0.190 0.000 0.985 195 V HN 0.522 nan 8.190 nan 0.000 0.438 196 V N 3.873 123.724 119.914 -0.105 0.000 2.384 196 V HA 0.985 5.104 4.120 -0.001 0.000 0.287 196 V C 0.492 176.573 176.094 -0.021 0.000 1.020 196 V CA 0.331 62.599 62.300 -0.053 0.000 0.850 196 V CB 0.838 32.638 31.823 -0.038 0.000 0.987 196 V HN 1.312 nan 8.190 nan 0.000 0.436 197 G N 3.722 112.528 108.800 0.010 0.000 2.428 197 G HA2 0.485 4.444 3.960 -0.001 0.000 0.681 197 G HA3 0.485 4.444 3.960 -0.001 0.000 0.681 197 G C -0.474 174.461 174.900 0.058 0.000 1.340 197 G CA -0.094 45.028 45.100 0.038 0.000 0.915 197 G HN 1.513 nan 8.290 nan 0.000 0.645 198 A N -0.053 122.818 122.820 0.084 0.000 2.795 198 A HA 0.867 5.187 4.320 -0.001 0.000 0.282 198 A C 0.515 178.170 177.584 0.117 0.000 0.964 198 A CA 1.239 53.342 52.037 0.109 0.000 1.045 198 A CB 0.119 19.192 19.000 0.121 0.000 1.174 198 A HN 2.211 nan 8.150 nan 0.000 0.493 199 S N -1.777 114.001 115.700 0.130 0.000 3.081 199 S HA 0.568 5.037 4.470 -0.001 0.000 0.316 199 S C 1.015 175.740 174.600 0.208 0.000 1.089 199 S CA -0.181 58.114 58.200 0.158 0.000 0.897 199 S CB -0.047 63.272 63.200 0.198 0.000 1.358 199 S HN 0.282 nan 8.310 nan 0.000 0.678 200 Y N 1.019 121.418 120.300 0.164 0.000 1.929 200 Y HA -0.277 4.272 4.550 -0.001 0.000 0.247 200 Y C 2.647 178.616 175.900 0.116 0.000 1.176 200 Y CA 2.579 60.761 58.100 0.137 0.000 1.075 200 Y CB -1.415 37.145 38.460 0.167 0.000 0.907 200 Y HN 0.334 nan 8.280 nan 0.000 0.499 201 V N -0.300 119.799 119.914 0.308 0.000 2.332 201 V HA -0.373 3.746 4.120 -0.001 0.000 0.248 201 V C 2.417 178.575 176.094 0.108 0.000 1.055 201 V CA 1.799 64.214 62.300 0.192 0.000 1.038 201 V CB -1.635 30.273 31.823 0.142 0.000 0.651 201 V HN 0.566 nan 8.190 nan 0.000 0.450 202 A N 0.138 123.013 122.820 0.092 0.000 1.845 202 A HA -0.122 4.197 4.320 -0.001 0.000 0.215 202 A C 2.217 179.804 177.584 0.005 0.000 1.195 202 A CA 1.878 53.930 52.037 0.024 0.000 0.616 202 A CB -0.573 18.450 19.000 0.038 0.000 0.832 202 A HN 0.490 nan 8.150 nan 0.000 0.443 203 L N -0.740 120.522 121.223 0.066 0.000 2.017 203 L HA -0.208 4.131 4.340 -0.001 0.000 0.208 203 L C 2.611 179.511 176.870 0.050 0.000 1.073 203 L CA 1.746 56.626 54.840 0.067 0.000 0.745 203 L CB -0.867 41.257 42.059 0.108 0.000 0.894 203 L HN 0.475 nan 8.230 nan 0.000 0.432 204 E N -0.340 119.919 120.200 0.098 0.000 2.077 204 E HA -0.217 4.133 4.350 -0.001 0.000 0.193 204 E C 2.326 178.892 176.600 -0.057 0.000 0.989 204 E CA 1.683 58.167 56.400 0.139 0.000 0.800 204 E CB -0.164 29.696 29.700 0.266 0.000 0.746 204 E HN 0.555 nan 8.360 nan 0.000 0.452 205 C N 0.548 119.697 119.300 -0.251 0.000 2.476 205 C HA 0.026 4.486 4.460 -0.001 0.000 0.278 205 C C 2.914 177.444 174.990 -0.766 0.000 1.274 205 C CA 0.529 59.002 59.018 -0.908 0.000 1.713 205 C CB -0.903 26.564 27.740 -0.455 0.000 2.039 205 C HN 0.514 nan 8.230 nan 0.000 0.484 206 A N 1.286 123.897 122.820 -0.350 0.000 1.892 206 A HA -0.051 4.268 4.320 -0.001 0.000 0.218 206 A C 2.383 179.859 177.584 -0.181 0.000 1.188 206 A CA 2.404 54.295 52.037 -0.244 0.000 0.631 206 A CB -1.442 17.442 19.000 -0.192 0.000 0.822 206 A HN 0.559 nan 8.150 nan 0.000 0.447 207 G N -0.111 108.625 108.800 -0.105 0.000 2.491 207 G HA2 -0.251 3.708 3.960 -0.001 0.000 0.218 207 G HA3 -0.251 3.708 3.960 -0.001 0.000 0.218 207 G C 1.385 176.358 174.900 0.123 0.000 1.180 207 G CA 1.515 46.644 45.100 0.048 0.000 0.774 207 G HN 0.863 nan 8.290 nan 0.000 0.562 208 F N 0.431 120.478 119.950 0.161 0.000 2.367 208 F HA 0.327 4.853 4.527 -0.001 0.000 0.298 208 F C 2.177 178.053 175.800 0.125 0.000 1.094 208 F CA 0.138 58.232 58.000 0.156 0.000 1.409 208 F CB -0.641 38.472 39.000 0.188 0.000 1.064 208 F HN 0.055 nan 8.300 nan 0.000 0.528 209 L N 0.840 122.113 121.223 0.083 0.000 2.046 209 L HA -0.135 4.204 4.340 -0.001 0.000 0.208 209 L C 2.956 179.912 176.870 0.143 0.000 1.077 209 L CA 1.254 56.209 54.840 0.192 0.000 0.747 209 L CB -1.080 40.980 42.059 0.002 0.000 0.896 209 L HN 0.360 nan 8.230 nan 0.000 0.432 210 A N 0.329 123.190 122.820 0.069 0.000 1.877 210 A HA -0.138 4.181 4.320 -0.001 0.000 0.216 210 A C 2.381 180.020 177.584 0.093 0.000 1.186 210 A CA 1.658 53.734 52.037 0.066 0.000 0.620 210 A CB -1.327 17.696 19.000 0.039 0.000 0.822 210 A HN 0.441 nan 8.150 nan 0.000 0.443 211 G N 0.538 109.411 108.800 0.122 0.000 2.499 211 G HA2 -0.149 3.810 3.960 -0.001 0.000 0.221 211 G HA3 -0.149 3.810 3.960 -0.001 0.000 0.221 211 G C 1.255 176.179 174.900 0.041 0.000 1.109 211 G CA 1.208 46.365 45.100 0.094 0.000 0.749 211 G HN 0.891 nan 8.290 nan 0.000 0.568 212 I N -3.615 116.989 120.570 0.056 0.000 3.928 212 I HA 0.549 4.718 4.170 -0.001 0.000 0.335 212 I C 1.310 177.475 176.117 0.079 0.000 1.325 212 I CA 0.238 61.508 61.300 -0.049 0.000 1.107 212 I CB 0.266 38.155 38.000 -0.185 0.000 1.014 212 I HN 0.111 nan 8.210 nan 0.000 0.400 213 G N 1.674 110.531 108.800 0.094 0.000 2.138 213 G HA2 -0.141 3.818 3.960 -0.001 0.000 0.193 213 G HA3 -0.141 3.818 3.960 -0.001 0.000 0.193 213 G C -0.158 174.802 174.900 0.100 0.000 0.998 213 G CA -0.328 44.832 45.100 0.099 0.000 0.668 213 G HN 0.309 nan 8.290 nan 0.000 0.516 214 L N 0.723 122.008 121.223 0.103 0.000 2.360 214 L HA 0.510 4.849 4.340 -0.001 0.000 0.271 214 L C 0.273 177.171 176.870 0.047 0.000 1.057 214 L CA -1.059 53.827 54.840 0.077 0.000 0.803 214 L CB 1.129 43.236 42.059 0.080 0.000 1.207 214 L HN 0.123 nan 8.230 nan 0.000 0.445 215 D N 1.752 122.175 120.400 0.039 0.000 2.383 215 D HA 0.262 4.901 4.640 -0.001 0.000 0.252 215 D C -1.098 175.214 176.300 0.020 0.000 1.166 215 D CA 0.086 54.107 54.000 0.034 0.000 0.879 215 D CB 1.277 42.104 40.800 0.046 0.000 1.164 215 D HN 0.093 nan 8.370 nan 0.000 0.462 216 V N 3.308 123.216 119.914 -0.011 0.000 2.841 216 V HA 0.462 4.581 4.120 -0.001 0.000 0.310 216 V C 0.001 176.027 176.094 -0.114 0.000 1.090 216 V CA -0.669 61.588 62.300 -0.072 0.000 0.930 216 V CB 2.436 34.202 31.823 -0.096 0.000 1.014 216 V HN 0.650 nan 8.190 nan 0.000 0.425 217 T N 2.595 117.043 114.554 -0.177 0.000 2.906 217 T HA 0.717 5.066 4.350 -0.001 0.000 0.295 217 T C -1.059 173.459 174.700 -0.303 0.000 1.061 217 T CA -0.631 61.347 62.100 -0.203 0.000 1.000 217 T CB 2.170 71.009 68.868 -0.048 0.000 1.103 217 T HN 0.354 nan 8.240 nan 0.000 0.486 218 V N 2.754 122.454 119.914 -0.356 0.000 2.482 218 V HA 0.451 4.570 4.120 -0.001 0.000 0.295 218 V C -0.433 175.595 176.094 -0.110 0.000 1.026 218 V CA -0.737 61.379 62.300 -0.307 0.000 0.856 218 V CB 1.695 33.199 31.823 -0.532 0.000 1.001 218 V HN 0.926 nan 8.190 nan 0.000 0.424 219 M N 6.205 125.778 119.600 -0.045 0.000 2.144 219 M HA 0.596 5.076 4.480 -0.001 0.000 0.356 219 M C -1.268 175.090 176.300 0.097 0.000 1.217 219 M CA -0.224 55.114 55.300 0.063 0.000 1.087 219 M CB 1.108 33.737 32.600 0.048 0.000 1.609 219 M HN 0.458 nan 8.290 nan 0.000 0.467 220 V N 6.151 126.155 119.914 0.151 0.000 2.459 220 V HA 0.377 4.496 4.120 -0.001 0.000 0.295 220 V C 0.676 176.833 176.094 0.105 0.000 1.029 220 V CA -0.701 61.678 62.300 0.132 0.000 0.874 220 V CB 1.446 33.368 31.823 0.166 0.000 0.985 220 V HN 1.008 nan 8.190 nan 0.000 0.438 221 R N 2.915 123.464 120.500 0.081 0.000 2.065 221 R HA -0.066 4.273 4.340 -0.001 0.000 0.224 221 R C 1.919 178.239 176.300 0.033 0.000 1.161 221 R CA 2.089 58.226 56.100 0.061 0.000 0.923 221 R CB -0.035 30.299 30.300 0.056 0.000 0.822 221 R HN 0.892 nan 8.270 nan 0.000 0.437 222 S N 0.255 115.974 115.700 0.032 0.000 3.026 222 S HA 0.249 4.718 4.470 -0.001 0.000 0.169 222 S C 1.073 175.682 174.600 0.016 0.000 0.680 222 S CA -0.204 58.004 58.200 0.014 0.000 0.826 222 S CB -0.532 62.675 63.200 0.012 0.000 0.779 222 S HN 0.420 nan 8.310 nan 0.000 0.664 223 I N -0.150 120.433 120.570 0.022 0.000 3.076 223 I HA 0.576 4.745 4.170 -0.001 0.000 0.313 223 I C -0.944 175.199 176.117 0.042 0.000 1.053 223 I CA -1.340 59.972 61.300 0.019 0.000 1.048 223 I CB 1.098 39.105 38.000 0.012 0.000 1.264 223 I HN 0.340 nan 8.210 nan 0.000 0.498 224 L N 2.750 123.994 121.223 0.035 0.000 2.334 224 L HA 0.351 4.690 4.340 -0.001 0.000 0.277 224 L C -0.026 176.890 176.870 0.076 0.000 1.075 224 L CA -0.953 53.922 54.840 0.059 0.000 0.804 224 L CB 1.226 43.303 42.059 0.031 0.000 1.174 224 L HN 0.654 nan 8.230 nan 0.000 0.438 225 L N 2.368 123.657 121.223 0.110 0.000 3.895 225 L HA -0.236 4.103 4.340 -0.001 0.000 0.511 225 L C 0.800 177.794 176.870 0.206 0.000 1.222 225 L CA 0.305 55.261 54.840 0.193 0.000 0.739 225 L CB -1.298 40.876 42.059 0.192 0.000 1.425 225 L HN 0.694 nan 8.230 nan 0.000 0.817 226 R N 1.120 121.689 120.500 0.115 0.000 2.585 226 R HA 0.286 4.626 4.340 -0.001 0.000 0.275 226 R C 1.449 177.748 176.300 -0.002 0.000 1.018 226 R CA 1.239 57.373 56.100 0.058 0.000 1.072 226 R CB 0.407 30.731 30.300 0.040 0.000 0.953 226 R HN 0.568 nan 8.270 nan 0.000 0.419 227 G N 3.151 111.927 108.800 -0.040 0.000 2.345 227 G HA2 -0.277 3.682 3.960 -0.001 0.000 0.218 227 G HA3 -0.277 3.682 3.960 -0.001 0.000 0.218 227 G C -0.153 174.625 174.900 -0.204 0.000 1.058 227 G CA -0.072 44.930 45.100 -0.165 0.000 0.632 227 G HN 0.499 nan 8.290 nan 0.000 0.508 228 F N 2.225 122.193 119.950 0.030 0.000 2.368 228 F HA 0.494 5.021 4.527 -0.001 0.000 0.315 228 F C 0.929 176.762 175.800 0.055 0.000 1.145 228 F CA -0.561 57.485 58.000 0.077 0.000 1.095 228 F CB 0.452 39.519 39.000 0.112 0.000 1.286 228 F HN 0.064 nan 8.300 nan 0.000 0.530 229 D N 1.579 122.163 120.400 0.307 0.000 2.472 229 D HA -0.094 4.545 4.640 -0.001 0.000 0.248 229 D C 0.671 176.983 176.300 0.020 0.000 1.174 229 D CA 0.072 54.115 54.000 0.072 0.000 0.883 229 D CB 0.977 41.697 40.800 -0.134 0.000 1.149 229 D HN 0.429 nan 8.370 nan 0.000 0.488 230 Q N 2.955 122.750 119.800 -0.008 0.000 2.230 230 Q HA -0.127 4.212 4.340 -0.001 0.000 0.202 230 Q C 1.191 177.137 176.000 -0.089 0.000 0.963 230 Q CA 0.821 56.604 55.803 -0.032 0.000 0.866 230 Q CB -0.062 28.663 28.738 -0.022 0.000 0.931 230 Q HN 0.641 nan 8.270 nan 0.000 0.452 231 D N -0.200 120.131 120.400 -0.113 0.000 2.117 231 D HA -0.116 4.524 4.640 -0.001 0.000 0.198 231 D C 1.674 177.838 176.300 -0.226 0.000 0.982 231 D CA 0.940 54.848 54.000 -0.154 0.000 0.828 231 D CB 0.221 40.943 40.800 -0.131 0.000 0.967 231 D HN 0.026 nan 8.370 nan 0.000 0.464 232 M N 0.440 119.883 119.600 -0.262 0.000 2.132 232 M HA 0.017 4.496 4.480 -0.001 0.000 0.263 232 M C 2.388 178.435 176.300 -0.421 0.000 1.065 232 M CA 1.156 56.196 55.300 -0.432 0.000 1.122 232 M CB -1.387 30.796 32.600 -0.695 0.000 1.365 232 M HN 0.105 nan 8.290 nan 0.000 0.411 233 A N 1.141 123.796 122.820 -0.275 0.000 1.877 233 A HA -0.188 4.131 4.320 -0.001 0.000 0.216 233 A C 2.019 179.510 177.584 -0.155 0.000 1.186 233 A CA 1.849 53.778 52.037 -0.179 0.000 0.620 233 A CB -0.829 18.135 19.000 -0.061 0.000 0.822 233 A HN 0.497 nan 8.150 nan 0.000 0.443 234 N N 0.186 118.797 118.700 -0.150 0.000 2.149 234 N HA -0.148 4.591 4.740 -0.001 0.000 0.188 234 N C 1.602 177.020 175.510 -0.153 0.000 1.019 234 N CA 1.607 54.570 53.050 -0.145 0.000 0.857 234 N CB -0.344 38.063 38.487 -0.133 0.000 0.997 234 N HN 0.600 nan 8.380 nan 0.000 0.426 235 K N 0.631 120.924 120.400 -0.179 0.000 2.057 235 K HA 0.020 4.339 4.320 -0.001 0.000 0.206 235 K C 2.152 178.704 176.600 -0.079 0.000 1.050 235 K CA 0.679 56.879 56.287 -0.145 0.000 0.935 235 K CB -0.148 32.224 32.500 -0.215 0.000 0.715 235 K HN 0.118 nan 8.250 nan 0.000 0.439 236 I N 1.157 121.657 120.570 -0.117 0.000 2.151 236 I HA -0.267 3.902 4.170 -0.001 0.000 0.243 236 I C 2.539 178.674 176.117 0.031 0.000 1.080 236 I CA 1.599 62.880 61.300 -0.032 0.000 1.339 236 I CB -0.776 37.181 38.000 -0.073 0.000 1.039 236 I HN 0.304 nan 8.210 nan 0.000 0.409 237 G N 0.365 109.130 108.800 -0.058 0.000 2.514 237 G HA2 -0.267 3.693 3.960 -0.001 0.000 0.217 237 G HA3 -0.267 3.693 3.960 -0.001 0.000 0.217 237 G C 1.479 176.273 174.900 -0.177 0.000 1.198 237 G CA 0.940 45.938 45.100 -0.171 0.000 0.780 237 G HN 0.454 nan 8.290 nan 0.000 0.565 238 E N -0.485 119.638 120.200 -0.128 0.000 2.130 238 E HA -0.217 4.133 4.350 -0.001 0.000 0.196 238 E C 2.188 178.813 176.600 0.042 0.000 0.998 238 E CA 1.008 57.366 56.400 -0.070 0.000 0.806 238 E CB -0.358 29.312 29.700 -0.051 0.000 0.738 238 E HN 0.614 nan 8.360 nan 0.000 0.459 239 H N 0.519 119.605 119.070 0.026 0.000 2.389 239 H HA -0.043 4.512 4.556 -0.001 0.000 0.299 239 H C 2.040 177.486 175.328 0.197 0.000 1.081 239 H CA 1.331 57.441 56.048 0.103 0.000 1.345 239 H CB 0.095 29.863 29.762 0.010 0.000 1.393 239 H HN 0.162 nan 8.280 nan 0.000 0.520 240 M N 0.197 119.864 119.600 0.112 0.000 2.175 240 M HA -0.108 4.372 4.480 -0.001 0.000 0.264 240 M C 2.375 178.820 176.300 0.241 0.000 1.063 240 M CA 1.284 56.691 55.300 0.178 0.000 1.119 240 M CB -0.097 32.713 32.600 0.350 0.000 1.377 240 M HN 0.281 nan 8.290 nan 0.000 0.415 241 E N 0.826 121.179 120.200 0.254 0.000 2.051 241 E HA -0.197 4.152 4.350 -0.001 0.000 0.192 241 E C 1.510 178.154 176.600 0.074 0.000 0.991 241 E CA 1.159 57.692 56.400 0.223 0.000 0.799 241 E CB 0.098 29.831 29.700 0.054 0.000 0.748 241 E HN 0.532 nan 8.360 nan 0.000 0.449 242 E N -0.791 119.416 120.200 0.012 0.000 2.472 242 E HA -0.133 4.217 4.350 -0.001 0.000 0.200 242 E C 0.430 176.831 176.600 -0.332 0.000 1.046 242 E CA 0.518 56.848 56.400 -0.116 0.000 0.871 242 E CB 0.029 29.671 29.700 -0.096 0.000 0.806 242 E HN 0.364 nan 8.360 nan 0.000 0.533 243 H N -1.444 117.532 119.070 -0.156 0.000 2.475 243 H HA 0.274 4.829 4.556 -0.001 0.000 0.276 243 H C 0.817 176.108 175.328 -0.062 0.000 1.126 243 H CA 0.317 56.275 56.048 -0.150 0.000 1.023 243 H CB 1.127 30.717 29.762 -0.287 0.000 1.669 243 H HN 0.242 nan 8.280 nan 0.000 0.573 244 G N 0.357 109.166 108.800 0.016 0.000 2.659 244 G HA2 -0.248 3.711 3.960 -0.001 0.000 0.202 244 G HA3 -0.248 3.711 3.960 -0.001 0.000 0.202 244 G C 0.199 175.117 174.900 0.031 0.000 1.186 244 G CA -0.362 44.752 45.100 0.024 0.000 0.783 244 G HN 0.198 nan 8.290 nan 0.000 0.521 245 I N 3.052 123.645 120.570 0.038 0.000 2.752 245 I HA 0.184 4.354 4.170 -0.001 0.000 0.286 245 I C 0.769 176.876 176.117 -0.016 0.000 1.180 245 I CA 0.701 61.980 61.300 -0.035 0.000 1.404 245 I CB 0.610 38.573 38.000 -0.061 0.000 1.389 245 I HN 0.149 nan 8.210 nan 0.000 0.549 246 K N 6.275 126.622 120.400 -0.088 0.000 2.174 246 K HA 0.566 4.885 4.320 -0.001 0.000 0.275 246 K C -0.917 175.579 176.600 -0.174 0.000 1.015 246 K CA -0.275 56.016 56.287 0.007 0.000 0.933 246 K CB 0.977 33.497 32.500 0.032 0.000 1.025 246 K HN 0.253 nan 8.250 nan 0.000 0.463 247 F N 2.000 121.972 119.950 0.035 0.000 2.561 247 F HA 0.538 5.064 4.527 -0.001 0.000 0.321 247 F C -0.020 175.823 175.800 0.071 0.000 1.065 247 F CA -0.964 57.061 58.000 0.043 0.000 0.934 247 F CB 1.384 40.404 39.000 0.032 0.000 1.215 247 F HN 0.143 nan 8.300 nan 0.000 0.471 248 I N 3.469 124.208 120.570 0.281 0.000 2.468 248 I HA 0.382 4.551 4.170 -0.001 0.000 0.285 248 I C -0.858 175.434 176.117 0.291 0.000 1.039 248 I CA -0.811 60.656 61.300 0.279 0.000 1.074 248 I CB 1.351 39.492 38.000 0.235 0.000 1.228 248 I HN 0.429 nan 8.210 nan 0.000 0.436 249 R N 5.397 126.034 120.500 0.229 0.000 2.532 249 R HA 0.445 4.784 4.340 -0.001 0.000 0.295 249 R C -0.093 176.180 176.300 -0.046 0.000 0.968 249 R CA -0.589 55.576 56.100 0.108 0.000 0.916 249 R CB 1.421 31.746 30.300 0.042 0.000 1.124 249 R HN 0.614 nan 8.270 nan 0.000 0.463 250 Q N 0.713 120.475 119.800 -0.064 0.000 2.493 250 Q HA -0.209 4.131 4.340 -0.001 0.000 0.278 250 Q C -1.085 174.714 176.000 -0.336 0.000 1.216 250 Q CA 1.063 56.750 55.803 -0.193 0.000 0.875 250 Q CB -1.477 27.100 28.738 -0.268 0.000 1.262 250 Q HN 0.494 nan 8.270 nan 0.000 0.468 251 F N -0.663 119.312 119.950 0.042 0.000 2.565 251 F HA 0.630 5.157 4.527 -0.001 0.000 0.313 251 F C 0.244 176.068 175.800 0.038 0.000 1.091 251 F CA -1.209 56.815 58.000 0.040 0.000 0.915 251 F CB 1.947 40.974 39.000 0.045 0.000 1.208 251 F HN -0.222 nan 8.300 nan 0.000 0.453 252 V N 2.918 123.000 119.914 0.280 0.000 2.588 252 V HA 0.422 4.541 4.120 -0.001 0.000 0.304 252 V C -2.489 173.681 176.094 0.126 0.000 1.042 252 V CA -2.354 60.041 62.300 0.158 0.000 0.877 252 V CB 1.959 33.852 31.823 0.117 0.000 0.996 252 V HN 0.460 nan 8.190 nan 0.000 0.425 253 P HA 0.305 nan 4.420 nan 0.000 0.268 253 P C 0.574 177.916 177.300 0.070 0.000 1.205 253 P CA 0.034 63.173 63.100 0.066 0.000 0.771 253 P CB 0.549 32.282 31.700 0.056 0.000 0.858 254 I N -1.264 119.342 120.570 0.061 0.000 4.456 254 I HA 0.473 4.642 4.170 -0.001 0.000 0.329 254 I C 0.235 176.388 176.117 0.060 0.000 1.313 254 I CA 0.032 61.368 61.300 0.061 0.000 1.205 254 I CB 0.378 38.410 38.000 0.055 0.000 1.179 254 I HN 0.121 nan 8.210 nan 0.000 0.419 255 K N 1.259 121.695 120.400 0.061 0.000 2.572 255 K HA 0.646 4.965 4.320 -0.001 0.000 0.263 255 K C -1.877 174.767 176.600 0.073 0.000 0.932 255 K CA -0.465 55.862 56.287 0.068 0.000 0.838 255 K CB 2.953 35.483 32.500 0.049 0.000 1.366 255 K HN -0.038 nan 8.250 nan 0.000 0.425 256 V N 3.131 123.109 119.914 0.107 0.000 2.588 256 V HA 0.543 4.662 4.120 -0.001 0.000 0.304 256 V C -0.939 175.193 176.094 0.063 0.000 1.042 256 V CA -0.716 61.647 62.300 0.105 0.000 0.877 256 V CB 1.710 33.646 31.823 0.189 0.000 0.996 256 V HN 0.812 nan 8.190 nan 0.000 0.425 257 E N 2.813 122.954 120.200 -0.097 0.000 2.343 257 E HA 0.427 4.776 4.350 -0.001 0.000 0.270 257 E C -1.187 175.131 176.600 -0.471 0.000 0.895 257 E CA -0.899 55.341 56.400 -0.267 0.000 0.767 257 E CB 2.895 32.521 29.700 -0.123 0.000 1.248 257 E HN 0.651 nan 8.360 nan 0.000 0.440 258 Q N 2.834 122.214 119.800 -0.701 0.000 2.503 258 Q HA 0.216 4.555 4.340 -0.001 0.000 0.227 258 Q C 0.138 175.986 176.000 -0.253 0.000 1.109 258 Q CA -0.161 55.314 55.803 -0.546 0.000 0.922 258 Q CB 0.195 28.523 28.738 -0.683 0.000 1.249 258 Q HN 0.645 nan 8.270 nan 0.000 0.530 259 I N 2.759 123.221 120.570 -0.180 0.000 3.454 259 I HA -0.038 4.132 4.170 -0.001 0.000 0.297 259 I C 0.176 176.236 176.117 -0.095 0.000 1.298 259 I CA 0.766 61.996 61.300 -0.117 0.000 1.297 259 I CB -0.581 37.360 38.000 -0.099 0.000 1.017 259 I HN 0.702 nan 8.210 nan 0.000 0.528 260 E N 0.321 120.460 120.200 -0.101 0.000 3.447 260 E HA 0.276 4.625 4.350 -0.001 0.000 0.317 260 E C -1.602 174.957 176.600 -0.067 0.000 1.173 260 E CA -0.263 56.093 56.400 -0.073 0.000 0.984 260 E CB 0.124 29.785 29.700 -0.065 0.000 1.077 260 E HN 0.086 nan 8.360 nan 0.000 0.501 261 A N 2.119 124.912 122.820 -0.045 0.000 2.252 261 A HA 1.033 5.352 4.320 -0.001 0.000 0.305 261 A C 0.605 178.149 177.584 -0.066 0.000 1.097 261 A CA 0.443 52.460 52.037 -0.033 0.000 0.849 261 A CB 1.188 20.189 19.000 0.002 0.000 1.142 261 A HN 1.306 nan 8.150 nan 0.000 0.499 262 G N -1.494 107.248 108.800 -0.096 0.000 2.359 262 G HA2 0.482 4.441 3.960 -0.001 0.000 0.293 262 G HA3 0.482 4.441 3.960 -0.001 0.000 0.293 262 G C -0.495 174.214 174.900 -0.317 0.000 1.300 262 G CA 0.142 45.150 45.100 -0.154 0.000 0.888 262 G HN 1.639 nan 8.290 nan 0.000 0.541 263 T N 0.179 114.504 114.554 -0.382 0.000 3.378 263 T HA 0.682 5.032 4.350 -0.001 0.000 0.359 263 T C -2.002 172.258 174.700 -0.732 0.000 1.815 263 T CA -1.038 60.617 62.100 -0.741 0.000 1.509 263 T CB 1.285 69.993 68.868 -0.267 0.000 1.049 263 T HN 0.558 nan 8.240 nan 0.000 0.705 264 P HA 0.567 nan 4.420 nan 0.000 0.284 264 P C 0.469 177.557 177.300 -0.354 0.000 1.292 264 P CA -0.232 62.399 63.100 -0.783 0.000 0.800 264 P CB 1.231 32.706 31.700 -0.376 0.000 1.188 265 G N 0.037 108.700 108.800 -0.229 0.000 2.782 265 G HA2 0.518 4.477 3.960 -0.001 0.000 0.201 265 G HA3 0.518 4.477 3.960 -0.001 0.000 0.201 265 G C -0.547 174.299 174.900 -0.090 0.000 1.374 265 G CA -0.778 44.243 45.100 -0.132 0.000 1.039 265 G HN 0.443 nan 8.290 nan 0.000 0.576 266 R N -0.875 119.580 120.500 -0.076 0.000 2.686 266 R HA 0.630 4.969 4.340 -0.001 0.000 0.286 266 R C -1.457 174.799 176.300 -0.073 0.000 0.969 266 R CA -0.571 55.490 56.100 -0.065 0.000 0.898 266 R CB 2.029 32.286 30.300 -0.073 0.000 1.183 266 R HN 0.287 nan 8.270 nan 0.000 0.456 267 L N 1.301 122.496 121.223 -0.047 0.000 2.393 267 L HA 0.601 4.940 4.340 -0.001 0.000 0.260 267 L C -0.419 176.429 176.870 -0.037 0.000 1.002 267 L CA -0.958 53.846 54.840 -0.059 0.000 0.818 267 L CB 2.581 44.639 42.059 -0.001 0.000 1.369 267 L HN 0.477 nan 8.230 nan 0.000 0.412 268 R N 1.275 121.742 120.500 -0.056 0.000 2.437 268 R HA 0.799 5.138 4.340 -0.001 0.000 0.310 268 R C -1.823 174.482 176.300 0.008 0.000 0.955 268 R CA -0.469 55.606 56.100 -0.041 0.000 0.851 268 R CB 1.787 32.045 30.300 -0.069 0.000 1.161 268 R HN 0.438 nan 8.270 nan 0.000 0.446 269 V N 4.347 124.291 119.914 0.051 0.000 2.667 269 V HA 0.525 4.644 4.120 -0.001 0.000 0.308 269 V C -0.596 175.513 176.094 0.026 0.000 1.048 269 V CA -0.817 61.528 62.300 0.074 0.000 0.928 269 V CB 1.992 33.908 31.823 0.156 0.000 1.004 269 V HN 0.554 nan 8.190 nan 0.000 0.444 270 V N 2.813 122.737 119.914 0.016 0.000 2.483 270 V HA 0.875 4.994 4.120 -0.001 0.000 0.297 270 V C 0.028 176.116 176.094 -0.011 0.000 1.027 270 V CA -0.242 62.051 62.300 -0.013 0.000 0.855 270 V CB 1.606 33.427 31.823 -0.003 0.000 0.995 270 V HN 1.098 nan 8.190 nan 0.000 0.424 271 A N 4.342 127.124 122.820 -0.064 0.000 2.469 271 A HA 0.910 5.229 4.320 -0.001 0.000 0.299 271 A C -0.973 176.602 177.584 -0.015 0.000 1.098 271 A CA -0.678 51.337 52.037 -0.038 0.000 0.737 271 A CB 2.126 21.079 19.000 -0.079 0.000 1.312 271 A HN 0.748 nan 8.150 nan 0.000 0.414 272 Q N 0.843 120.738 119.800 0.158 0.000 2.356 272 Q HA 0.555 4.894 4.340 -0.001 0.000 0.270 272 Q C -0.082 176.202 176.000 0.474 0.000 1.058 272 Q CA -0.461 55.501 55.803 0.264 0.000 0.802 272 Q CB 1.774 30.601 28.738 0.149 0.000 1.303 272 Q HN 1.054 nan 8.270 nan 0.000 0.444 273 S N 1.738 117.748 115.700 0.517 0.000 2.549 273 S HA -0.067 4.402 4.470 -0.001 0.000 0.278 273 S C 0.659 175.267 174.600 0.014 0.000 1.344 273 S CA 0.964 59.194 58.200 0.050 0.000 1.025 273 S CB 0.809 63.978 63.200 -0.051 0.000 0.851 273 S HN 0.785 nan 8.310 nan 0.000 0.530 274 T N 1.250 115.742 114.554 -0.103 0.000 3.069 274 T HA 0.204 4.553 4.350 -0.001 0.000 0.252 274 T C 0.731 175.402 174.700 -0.049 0.000 1.053 274 T CA 0.552 62.627 62.100 -0.043 0.000 0.964 274 T CB -0.622 68.219 68.868 -0.046 0.000 1.005 274 T HN 0.848 nan 8.240 nan 0.000 0.532 275 N N -0.075 118.581 118.700 -0.074 0.000 2.082 275 N HA 0.199 4.938 4.740 -0.001 0.000 0.228 275 N C 0.120 175.608 175.510 -0.036 0.000 1.341 275 N CA -0.110 52.909 53.050 -0.053 0.000 0.873 275 N CB 0.649 39.095 38.487 -0.068 0.000 1.137 275 N HN 0.233 nan 8.380 nan 0.000 0.505 276 S N -0.788 114.896 115.700 -0.027 0.000 2.840 276 S HA 0.385 4.854 4.470 -0.001 0.000 0.307 276 S C -0.256 174.365 174.600 0.035 0.000 1.180 276 S CA -0.640 57.562 58.200 0.002 0.000 0.846 276 S CB 1.569 64.770 63.200 0.001 0.000 1.233 276 S HN 0.079 nan 8.310 nan 0.000 0.548 277 E N 0.033 120.262 120.200 0.048 0.000 2.481 277 E HA 0.207 4.556 4.350 -0.001 0.000 0.198 277 E C 0.187 176.840 176.600 0.087 0.000 1.027 277 E CA -0.235 56.201 56.400 0.060 0.000 0.900 277 E CB 0.094 29.819 29.700 0.041 0.000 0.993 277 E HN 0.672 nan 8.360 nan 0.000 0.482 278 E N 1.017 121.286 120.200 0.115 0.000 2.481 278 E HA -0.014 4.335 4.350 -0.001 0.000 0.263 278 E C -0.433 176.285 176.600 0.197 0.000 0.992 278 E CA 0.361 56.855 56.400 0.158 0.000 0.938 278 E CB 0.536 30.364 29.700 0.212 0.000 0.933 278 E HN 0.205 nan 8.360 nan 0.000 0.453 279 I N 5.536 126.172 120.570 0.109 0.000 2.647 279 I HA 0.376 4.545 4.170 -0.001 0.000 0.295 279 I C 0.146 176.230 176.117 -0.055 0.000 1.078 279 I CA -0.767 60.557 61.300 0.041 0.000 1.048 279 I CB 1.471 39.486 38.000 0.025 0.000 1.239 279 I HN 0.508 nan 8.210 nan 0.000 0.421 280 I N 1.843 122.303 120.570 -0.184 0.000 3.264 280 I HA 0.740 4.909 4.170 -0.001 0.000 0.315 280 I C -1.209 174.808 176.117 -0.167 0.000 1.154 280 I CA -0.638 60.535 61.300 -0.212 0.000 0.962 280 I CB 2.557 40.329 38.000 -0.381 0.000 1.265 280 I HN 0.775 nan 8.210 nan 0.000 0.463 281 E N 1.112 121.231 120.200 -0.134 0.000 2.372 281 E HA 0.732 5.082 4.350 -0.001 0.000 0.279 281 E C -1.665 174.867 176.600 -0.114 0.000 0.946 281 E CA -0.753 55.587 56.400 -0.100 0.000 0.769 281 E CB 2.412 32.066 29.700 -0.077 0.000 1.230 281 E HN 1.109 nan 8.360 nan 0.000 0.442 282 G N 1.535 110.266 108.800 -0.116 0.000 2.704 282 G HA2 0.377 4.337 3.960 -0.001 0.000 0.293 282 G HA3 0.377 4.337 3.960 -0.001 0.000 0.293 282 G C -1.671 173.019 174.900 -0.350 0.000 1.421 282 G CA -0.737 44.207 45.100 -0.259 0.000 0.870 282 G HN 0.547 nan 8.290 nan 0.000 0.492 283 E N -0.124 119.782 120.200 -0.490 0.000 2.175 283 E HA 0.640 4.990 4.350 -0.001 0.000 0.278 283 E C -1.219 175.012 176.600 -0.615 0.000 0.969 283 E CA -0.552 55.617 56.400 -0.385 0.000 0.796 283 E CB 1.066 30.622 29.700 -0.240 0.000 1.104 283 E HN 0.460 nan 8.360 nan 0.000 0.395 284 Y N 1.518 121.788 120.300 -0.051 0.000 2.669 284 Y HA 0.301 4.850 4.550 -0.001 0.000 0.335 284 Y C 0.883 176.755 175.900 -0.046 0.000 1.116 284 Y CA -0.845 57.228 58.100 -0.045 0.000 1.081 284 Y CB 1.680 40.116 38.460 -0.040 0.000 1.297 284 Y HN 0.510 nan 8.280 nan 0.000 0.484 285 N N -0.828 117.962 118.700 0.150 0.000 2.436 285 N HA 0.070 4.810 4.740 -0.001 0.000 0.178 285 N C -0.578 174.971 175.510 0.064 0.000 1.026 285 N CA 0.732 53.813 53.050 0.053 0.000 0.880 285 N CB 0.464 38.959 38.487 0.013 0.000 1.061 285 N HN 0.412 nan 8.380 nan 0.000 0.434 286 T N 1.070 115.666 114.554 0.070 0.000 2.876 286 T HA 0.437 4.786 4.350 -0.001 0.000 0.289 286 T C -0.648 174.047 174.700 -0.007 0.000 1.014 286 T CA -0.458 61.671 62.100 0.048 0.000 0.986 286 T CB 3.117 72.000 68.868 0.026 0.000 1.021 286 T HN -0.284 nan 8.240 nan 0.000 0.458 287 V N 3.832 123.746 119.914 0.001 0.000 2.340 287 V HA 0.373 4.492 4.120 -0.001 0.000 0.277 287 V C -0.154 175.910 176.094 -0.050 0.000 1.017 287 V CA -0.670 61.596 62.300 -0.057 0.000 0.820 287 V CB 1.135 32.956 31.823 -0.003 0.000 1.028 287 V HN 0.878 nan 8.190 nan 0.000 0.436 288 M N 5.383 124.926 119.600 -0.094 0.000 2.216 288 M HA 0.537 5.017 4.480 -0.001 0.000 0.356 288 M C -1.204 175.032 176.300 -0.107 0.000 1.205 288 M CA -0.235 55.007 55.300 -0.097 0.000 1.122 288 M CB 0.958 33.488 32.600 -0.116 0.000 1.571 288 M HN 0.460 nan 8.290 nan 0.000 0.464 289 L N 4.691 125.839 121.223 -0.124 0.000 2.309 289 L HA 0.674 5.013 4.340 -0.001 0.000 0.282 289 L C -0.160 176.636 176.870 -0.123 0.000 1.036 289 L CA -0.625 54.139 54.840 -0.127 0.000 0.806 289 L CB 1.681 43.627 42.059 -0.189 0.000 1.220 289 L HN 0.883 nan 8.230 nan 0.000 0.429 290 A N 4.500 127.277 122.820 -0.071 0.000 3.409 290 A HA 0.425 4.744 4.320 -0.001 0.000 0.282 290 A C 0.018 177.604 177.584 0.004 0.000 1.064 290 A CA -0.350 51.667 52.037 -0.034 0.000 0.889 290 A CB -0.129 18.861 19.000 -0.017 0.000 1.251 290 A HN 0.779 nan 8.150 nan 0.000 0.538 291 I N -2.341 118.226 120.570 -0.004 0.000 3.816 291 I HA 0.665 4.834 4.170 -0.001 0.000 0.334 291 I C 0.540 176.684 176.117 0.045 0.000 1.551 291 I CA 0.150 61.466 61.300 0.027 0.000 1.153 291 I CB 0.274 38.288 38.000 0.023 0.000 1.197 291 I HN 0.714 nan 8.210 nan 0.000 0.439 292 G N 1.356 110.189 108.800 0.054 0.000 2.373 292 G HA2 0.099 4.059 3.960 -0.001 0.000 0.634 292 G HA3 0.099 4.059 3.960 -0.001 0.000 0.634 292 G C -1.094 173.842 174.900 0.060 0.000 1.267 292 G CA -1.112 44.029 45.100 0.068 0.000 1.008 292 G HN 0.419 nan 8.290 nan 0.000 0.497 293 R N -0.514 120.026 120.500 0.067 0.000 2.680 293 R HA 0.547 4.887 4.340 -0.001 0.000 0.269 293 R C -1.969 174.375 176.300 0.072 0.000 1.026 293 R CA -1.006 55.136 56.100 0.071 0.000 0.889 293 R CB 2.139 32.481 30.300 0.071 0.000 1.241 293 R HN 0.494 nan 8.270 nan 0.000 0.463 294 D N 1.152 121.601 120.400 0.080 0.000 2.391 294 D HA 0.285 4.924 4.640 -0.001 0.000 0.245 294 D C -0.505 175.839 176.300 0.074 0.000 1.069 294 D CA -0.420 53.625 54.000 0.075 0.000 0.831 294 D CB 2.059 42.909 40.800 0.083 0.000 1.204 294 D HN 0.631 nan 8.370 nan 0.000 0.503 295 A N 1.661 124.518 122.820 0.060 0.000 2.548 295 A HA 0.029 4.348 4.320 -0.001 0.000 0.247 295 A C 0.657 178.280 177.584 0.065 0.000 1.067 295 A CA -0.094 51.977 52.037 0.056 0.000 0.757 295 A CB -0.140 18.885 19.000 0.041 0.000 0.996 295 A HN 0.733 nan 8.150 nan 0.000 0.504 296 C N 3.575 122.917 119.300 0.071 0.000 3.025 296 C HA 0.287 4.746 4.460 -0.001 0.000 0.547 296 C C 1.821 176.854 174.990 0.072 0.000 1.058 296 C CA 0.393 59.461 59.018 0.082 0.000 1.164 296 C CB -2.314 25.476 27.740 0.083 0.000 1.405 296 C HN 0.921 nan 8.230 nan 0.000 0.610 297 T N -2.719 111.873 114.554 0.064 0.000 3.040 297 T HA 0.093 4.442 4.350 -0.001 0.000 0.266 297 T C 1.763 176.494 174.700 0.051 0.000 1.005 297 T CA -0.151 61.979 62.100 0.051 0.000 0.906 297 T CB 0.132 69.018 68.868 0.029 0.000 1.082 297 T HN 0.420 nan 8.240 nan 0.000 0.531 298 R N 2.046 122.584 120.500 0.063 0.000 2.052 298 R HA 0.225 4.564 4.340 -0.001 0.000 0.226 298 R C 0.671 177.017 176.300 0.076 0.000 1.145 298 R CA 0.838 56.972 56.100 0.056 0.000 0.952 298 R CB -0.544 29.788 30.300 0.054 0.000 0.847 298 R HN 0.208 nan 8.270 nan 0.000 0.431 299 K N 2.037 122.505 120.400 0.113 0.000 3.216 299 K HA 0.133 4.453 4.320 -0.001 0.000 0.277 299 K C 1.083 177.813 176.600 0.218 0.000 1.246 299 K CA 0.173 56.547 56.287 0.146 0.000 1.227 299 K CB -0.601 31.994 32.500 0.159 0.000 1.487 299 K HN 0.402 nan 8.250 nan 0.000 0.341 300 I N -5.358 115.316 120.570 0.173 0.000 4.338 300 I HA 0.357 4.526 4.170 -0.001 0.000 0.329 300 I C 0.713 176.973 176.117 0.238 0.000 1.378 300 I CA -0.381 61.052 61.300 0.221 0.000 1.170 300 I CB 0.757 38.876 38.000 0.199 0.000 1.206 300 I HN 0.183 nan 8.210 nan 0.000 0.432 301 G N 2.504 111.391 108.800 0.144 0.000 2.171 301 G HA2 -0.238 3.722 3.960 -0.001 0.000 0.238 301 G HA3 -0.238 3.722 3.960 -0.001 0.000 0.238 301 G C 0.493 175.401 174.900 0.014 0.000 1.039 301 G CA 0.398 45.562 45.100 0.107 0.000 0.759 301 G HN 0.427 nan 8.290 nan 0.000 0.501 302 L N -0.510 120.681 121.223 -0.053 0.000 2.191 302 L HA -0.091 4.248 4.340 -0.001 0.000 0.212 302 L C 2.788 179.553 176.870 -0.175 0.000 1.103 302 L CA 2.134 56.854 54.840 -0.200 0.000 0.769 302 L CB -0.201 41.768 42.059 -0.151 0.000 0.908 302 L HN 0.551 nan 8.230 nan 0.000 0.438 303 E N -0.963 119.185 120.200 -0.087 0.000 2.072 303 E HA -0.202 4.147 4.350 -0.001 0.000 0.191 303 E C 1.994 178.559 176.600 -0.058 0.000 0.985 303 E CA 1.521 57.882 56.400 -0.065 0.000 0.801 303 E CB -1.081 28.601 29.700 -0.031 0.000 0.750 303 E HN 0.415 nan 8.360 nan 0.000 0.452 304 T N -0.964 113.569 114.554 -0.035 0.000 2.996 304 T HA -0.098 4.251 4.350 -0.001 0.000 0.271 304 T C 1.526 176.213 174.700 -0.021 0.000 1.126 304 T CA 1.284 63.383 62.100 -0.002 0.000 1.103 304 T CB -0.367 68.528 68.868 0.045 0.000 0.870 304 T HN 0.217 nan 8.240 nan 0.000 0.528 305 V N -4.492 115.352 119.914 -0.117 0.000 3.451 305 V HA 0.718 4.837 4.120 -0.001 0.000 0.288 305 V C 1.683 177.672 176.094 -0.175 0.000 1.502 305 V CA 0.118 62.326 62.300 -0.152 0.000 1.026 305 V CB -0.398 31.206 31.823 -0.365 0.000 0.840 305 V HN 0.614 nan 8.190 nan 0.000 0.437 306 G N 0.745 109.445 108.800 -0.167 0.000 2.141 306 G HA2 -0.204 3.756 3.960 -0.001 0.000 0.242 306 G HA3 -0.204 3.756 3.960 -0.001 0.000 0.242 306 G C 0.078 174.874 174.900 -0.173 0.000 0.982 306 G CA 0.039 45.056 45.100 -0.137 0.000 0.662 306 G HN 0.810 nan 8.290 nan 0.000 0.527 307 V N 2.185 121.950 119.914 -0.248 0.000 2.439 307 V HA 0.224 4.343 4.120 -0.001 0.000 0.271 307 V C 1.022 177.019 176.094 -0.161 0.000 1.040 307 V CA 0.054 62.213 62.300 -0.235 0.000 1.002 307 V CB 0.909 32.544 31.823 -0.314 0.000 1.000 307 V HN 0.324 nan 8.190 nan 0.000 0.477 308 K N 6.203 126.528 120.400 -0.125 0.000 2.350 308 K HA 0.460 4.780 4.320 -0.001 0.000 0.279 308 K C -0.046 176.505 176.600 -0.082 0.000 1.027 308 K CA -0.062 56.171 56.287 -0.090 0.000 0.969 308 K CB 1.009 33.464 32.500 -0.074 0.000 0.954 308 K HN 0.708 nan 8.250 nan 0.000 0.474 309 I N -1.389 119.143 120.570 -0.063 0.000 3.617 309 I HA 0.384 4.553 4.170 -0.001 0.000 0.283 309 I C -0.476 175.618 176.117 -0.038 0.000 1.160 309 I CA -1.065 60.205 61.300 -0.051 0.000 1.084 309 I CB 1.422 39.396 38.000 -0.042 0.000 1.365 309 I HN 0.333 nan 8.210 nan 0.000 0.494 310 N N 1.632 120.315 118.700 -0.028 0.000 2.546 310 N HA 0.142 4.882 4.740 -0.001 0.000 0.238 310 N C 0.333 175.835 175.510 -0.013 0.000 0.984 310 N CA -0.174 52.863 53.050 -0.021 0.000 0.935 310 N CB 0.935 39.410 38.487 -0.020 0.000 1.122 310 N HN 0.598 nan 8.380 nan 0.000 0.510 311 E N 2.231 122.424 120.200 -0.012 0.000 2.219 311 E HA -0.215 4.134 4.350 -0.001 0.000 0.198 311 E C 1.109 177.710 176.600 0.001 0.000 0.998 311 E CA 1.130 57.526 56.400 -0.006 0.000 0.818 311 E CB 0.275 29.971 29.700 -0.007 0.000 0.741 311 E HN 0.546 nan 8.360 nan 0.000 0.477 312 K N 0.481 120.881 120.400 0.000 0.000 1.980 312 K HA -0.076 4.243 4.320 -0.001 0.000 0.208 312 K C 2.211 178.817 176.600 0.010 0.000 1.043 312 K CA 2.229 58.519 56.287 0.005 0.000 0.938 312 K CB -0.770 31.731 32.500 0.002 0.000 0.724 312 K HN 0.235 nan 8.250 nan 0.000 0.438 313 T N -3.955 110.604 114.554 0.007 0.000 2.978 313 T HA 0.193 4.542 4.350 -0.001 0.000 0.262 313 T C 1.542 176.252 174.700 0.016 0.000 1.063 313 T CA 0.983 63.090 62.100 0.012 0.000 1.140 313 T CB -0.079 68.793 68.868 0.006 0.000 0.886 313 T HN 0.411 nan 8.240 nan 0.000 0.470 314 G N 1.116 109.922 108.800 0.010 0.000 2.195 314 G HA2 -0.172 3.788 3.960 -0.001 0.000 0.224 314 G HA3 -0.172 3.788 3.960 -0.001 0.000 0.224 314 G C 0.018 174.922 174.900 0.007 0.000 0.990 314 G CA -0.193 44.915 45.100 0.014 0.000 0.639 314 G HN 0.569 nan 8.290 nan 0.000 0.514 315 K N 0.842 121.242 120.400 -0.000 0.000 2.298 315 K HA 0.462 4.781 4.320 -0.001 0.000 0.280 315 K C 0.745 177.332 176.600 -0.021 0.000 1.032 315 K CA -0.437 55.845 56.287 -0.008 0.000 0.958 315 K CB 0.908 33.400 32.500 -0.014 0.000 0.978 315 K HN 0.385 nan 8.250 nan 0.000 0.472 316 I N 5.830 126.386 120.570 -0.024 0.000 2.363 316 I HA 0.088 4.258 4.170 -0.001 0.000 0.292 316 I C -1.956 174.131 176.117 -0.049 0.000 1.075 316 I CA -1.945 59.332 61.300 -0.039 0.000 1.333 316 I CB 0.652 38.630 38.000 -0.036 0.000 1.415 316 I HN 0.179 nan 8.210 nan 0.000 0.502 317 P HA 0.257 nan 4.420 nan 0.000 0.272 317 P C -0.708 176.551 177.300 -0.068 0.000 1.230 317 P CA -0.104 62.958 63.100 -0.062 0.000 0.788 317 P CB 1.054 32.719 31.700 -0.058 0.000 0.949 318 V N -0.143 119.730 119.914 -0.069 0.000 3.204 318 V HA 0.308 4.427 4.120 -0.001 0.000 0.298 318 V C 0.058 176.120 176.094 -0.053 0.000 1.328 318 V CA -0.642 61.620 62.300 -0.063 0.000 1.035 318 V CB 2.312 34.109 31.823 -0.045 0.000 1.095 318 V HN 0.678 nan 8.190 nan 0.000 0.442 319 T N -0.940 113.590 114.554 -0.040 0.000 2.726 319 T HA 0.179 4.528 4.350 -0.001 0.000 0.294 319 T C 0.567 175.275 174.700 0.013 0.000 1.013 319 T CA 0.211 62.301 62.100 -0.018 0.000 0.996 319 T CB 0.326 69.185 68.868 -0.014 0.000 1.016 319 T HN 0.885 nan 8.240 nan 0.000 0.529 320 D N -0.969 119.447 120.400 0.027 0.000 2.490 320 D HA -0.011 4.628 4.640 -0.001 0.000 0.255 320 D C 0.503 176.861 176.300 0.095 0.000 1.248 320 D CA 0.060 54.097 54.000 0.062 0.000 0.887 320 D CB -0.402 40.432 40.800 0.057 0.000 0.978 320 D HN 0.825 nan 8.370 nan 0.000 0.491 321 E N -0.355 119.906 120.200 0.102 0.000 2.862 321 E HA 0.031 4.380 4.350 -0.001 0.000 0.204 321 E C -0.515 176.207 176.600 0.203 0.000 0.966 321 E CA -0.208 56.273 56.400 0.135 0.000 1.257 321 E CB 0.482 30.264 29.700 0.136 0.000 1.053 321 E HN 0.023 nan 8.360 nan 0.000 0.487 322 E N 0.720 121.021 120.200 0.168 0.000 2.971 322 E HA -0.237 4.112 4.350 -0.001 0.000 0.278 322 E C -0.228 176.532 176.600 0.266 0.000 1.009 322 E CA 0.762 57.280 56.400 0.196 0.000 0.862 322 E CB -1.250 28.578 29.700 0.212 0.000 1.436 322 E HN 0.292 nan 8.360 nan 0.000 0.434 323 Q N 0.761 120.612 119.800 0.086 0.000 2.257 323 Q HA 0.388 4.728 4.340 -0.001 0.000 0.255 323 Q C 0.662 176.511 176.000 -0.253 0.000 0.920 323 Q CA 0.177 55.782 55.803 -0.331 0.000 0.927 323 Q CB 0.935 29.434 28.738 -0.397 0.000 1.229 323 Q HN 0.317 nan 8.270 nan 0.000 0.433 324 T N 0.142 114.509 114.554 -0.312 0.000 2.889 324 T HA 0.041 4.390 4.350 -0.001 0.000 0.340 324 T C 1.256 175.829 174.700 -0.211 0.000 1.145 324 T CA 0.227 62.197 62.100 -0.217 0.000 0.986 324 T CB 0.158 68.893 68.868 -0.222 0.000 1.461 324 T HN 0.805 nan 8.240 nan 0.000 0.541 325 N N -0.341 118.254 118.700 -0.174 0.000 2.409 325 N HA -0.045 4.694 4.740 -0.001 0.000 0.179 325 N C 0.217 175.637 175.510 -0.151 0.000 1.032 325 N CA 0.307 53.273 53.050 -0.139 0.000 0.898 325 N CB -0.423 37.999 38.487 -0.108 0.000 0.971 325 N HN 0.390 nan 8.380 nan 0.000 0.441 326 V N 3.087 122.875 119.914 -0.210 0.000 2.339 326 V HA 0.176 4.296 4.120 -0.001 0.000 0.261 326 V C -1.332 174.597 176.094 -0.275 0.000 1.058 326 V CA -1.254 60.915 62.300 -0.219 0.000 0.897 326 V CB 1.101 32.727 31.823 -0.328 0.000 1.052 326 V HN -0.035 nan 8.190 nan 0.000 0.480 327 P HA -0.246 nan 4.420 nan 0.000 0.222 327 P C 1.119 178.358 177.300 -0.102 0.000 1.155 327 P CA 1.988 65.020 63.100 -0.114 0.000 0.890 327 P CB -0.062 31.666 31.700 0.046 0.000 0.790 328 Y N -3.010 117.255 120.300 -0.059 0.000 2.457 328 Y HA 0.416 4.965 4.550 -0.001 0.000 0.263 328 Y C 0.516 176.508 175.900 0.153 0.000 1.164 328 Y CA -0.813 57.339 58.100 0.088 0.000 1.274 328 Y CB -0.708 37.815 38.460 0.104 0.000 1.097 328 Y HN -0.166 nan 8.280 nan 0.000 0.523 329 I N 1.757 122.044 120.570 -0.472 0.000 2.339 329 I HA 0.287 4.457 4.170 -0.001 0.000 0.290 329 I C -1.190 174.814 176.117 -0.188 0.000 0.994 329 I CA -0.816 60.328 61.300 -0.259 0.000 1.191 329 I CB 0.855 38.563 38.000 -0.486 0.000 1.343 329 I HN -0.039 nan 8.210 nan 0.000 0.458 330 Y N 4.340 124.635 120.300 -0.007 0.000 2.598 330 Y HA 0.825 5.374 4.550 -0.001 0.000 0.340 330 Y C 0.156 176.071 175.900 0.024 0.000 1.038 330 Y CA -1.040 57.060 58.100 -0.001 0.000 1.100 330 Y CB 1.932 40.400 38.460 0.013 0.000 1.281 330 Y HN 0.517 nan 8.280 nan 0.000 0.488 331 A N 1.680 124.611 122.820 0.186 0.000 2.486 331 A HA 0.900 5.219 4.320 -0.001 0.000 0.300 331 A C -1.359 176.291 177.584 0.110 0.000 1.048 331 A CA -0.601 51.506 52.037 0.117 0.000 0.696 331 A CB 1.037 20.069 19.000 0.055 0.000 1.278 331 A HN 0.744 nan 8.150 nan 0.000 0.405 332 I N -1.418 119.208 120.570 0.094 0.000 3.095 332 I HA 0.966 5.135 4.170 -0.001 0.000 0.310 332 I C 0.395 176.558 176.117 0.077 0.000 1.196 332 I CA -0.193 61.165 61.300 0.096 0.000 0.985 332 I CB 1.972 40.028 38.000 0.093 0.000 1.250 332 I HN 2.057 nan 8.210 nan 0.000 0.446 333 G N 2.322 111.176 108.800 0.090 0.000 2.548 333 G HA2 -0.180 3.780 3.960 -0.001 0.000 0.208 333 G HA3 -0.180 3.780 3.960 -0.001 0.000 0.208 333 G C -0.131 174.805 174.900 0.060 0.000 1.308 333 G CA 0.318 45.460 45.100 0.070 0.000 0.924 333 G HN 0.786 nan 8.290 nan 0.000 0.540 334 D N 0.259 120.686 120.400 0.046 0.000 2.190 334 D HA -0.135 4.504 4.640 -0.001 0.000 0.200 334 D C 2.506 178.826 176.300 0.033 0.000 0.992 334 D CA 1.712 55.736 54.000 0.040 0.000 0.854 334 D CB -0.258 40.564 40.800 0.037 0.000 0.936 334 D HN 0.767 nan 8.370 nan 0.000 0.462 335 I N -1.774 118.816 120.570 0.033 0.000 3.176 335 I HA -0.031 4.138 4.170 -0.001 0.000 0.275 335 I C 0.620 176.742 176.117 0.009 0.000 1.298 335 I CA 0.038 61.353 61.300 0.025 0.000 1.445 335 I CB -0.242 37.776 38.000 0.031 0.000 1.075 335 I HN -0.154 nan 8.210 nan 0.000 0.482 336 L N 2.093 123.318 121.223 0.002 0.000 2.476 336 L HA 0.158 4.498 4.340 -0.001 0.000 0.264 336 L C 0.496 177.339 176.870 -0.044 0.000 1.224 336 L CA 0.339 55.161 54.840 -0.030 0.000 0.821 336 L CB 0.562 42.589 42.059 -0.055 0.000 1.101 336 L HN 0.333 nan 8.230 nan 0.000 0.488 337 E N 1.718 121.878 120.200 -0.067 0.000 2.151 337 E HA 0.078 4.427 4.350 -0.001 0.000 0.275 337 E C -0.789 175.756 176.600 -0.091 0.000 0.936 337 E CA -0.493 55.870 56.400 -0.062 0.000 0.777 337 E CB 0.760 30.428 29.700 -0.053 0.000 1.108 337 E HN 0.572 nan 8.360 nan 0.000 0.401 338 D N 3.034 123.389 120.400 -0.074 0.000 2.746 338 D HA -0.151 4.489 4.640 -0.001 0.000 0.236 338 D C -0.157 176.060 176.300 -0.138 0.000 1.129 338 D CA 0.823 54.773 54.000 -0.084 0.000 0.691 338 D CB -0.158 40.597 40.800 -0.076 0.000 1.077 338 D HN 0.462 nan 8.370 nan 0.000 0.432 339 K N -0.818 119.492 120.400 -0.149 0.000 2.041 339 K HA 0.635 4.955 4.320 -0.001 0.000 0.277 339 K C 0.228 176.826 176.600 -0.002 0.000 0.965 339 K CA -0.338 55.807 56.287 -0.236 0.000 1.138 339 K CB 0.670 32.872 32.500 -0.498 0.000 3.194 339 K HN -0.071 nan 8.250 nan 0.000 1.085 340 V N 2.402 122.391 119.914 0.126 0.000 2.524 340 V HA 0.208 4.327 4.120 -0.001 0.000 0.297 340 V C -0.814 175.352 176.094 0.121 0.000 1.035 340 V CA -0.617 61.770 62.300 0.144 0.000 0.867 340 V CB 1.440 33.379 31.823 0.193 0.000 1.004 340 V HN 0.502 nan 8.190 nan 0.000 0.426 341 E N 5.741 125.990 120.200 0.082 0.000 2.222 341 E HA 0.347 4.696 4.350 -0.001 0.000 0.312 341 E C -0.804 175.810 176.600 0.023 0.000 1.263 341 E CA 0.092 56.524 56.400 0.053 0.000 1.356 341 E CB 0.153 29.878 29.700 0.041 0.000 1.180 341 E HN 0.468 nan 8.360 nan 0.000 0.494 342 L N 0.206 121.454 121.223 0.041 0.000 2.401 342 L HA 0.230 4.569 4.340 -0.001 0.000 0.266 342 L C 1.397 178.279 176.870 0.019 0.000 0.991 342 L CA -0.615 54.236 54.840 0.018 0.000 0.818 342 L CB 2.024 44.108 42.059 0.043 0.000 1.321 342 L HN 0.152 nan 8.230 nan 0.000 0.413 343 T N 1.695 116.249 114.554 0.001 0.000 2.624 343 T HA -0.130 4.219 4.350 -0.001 0.000 0.268 343 T C -1.045 173.658 174.700 0.004 0.000 1.041 343 T CA 1.973 64.072 62.100 -0.001 0.000 1.159 343 T CB -0.622 68.241 68.868 -0.009 0.000 0.863 343 T HN 0.496 nan 8.240 nan 0.000 0.434 344 P HA 0.001 nan 4.420 nan 0.000 0.218 344 P C 1.524 178.817 177.300 -0.011 0.000 1.148 344 P CA 0.564 63.665 63.100 0.001 0.000 0.822 344 P CB -0.144 31.559 31.700 0.005 0.000 0.784 345 V N 0.004 119.918 119.914 -0.000 0.000 2.379 345 V HA -0.182 3.937 4.120 -0.001 0.000 0.245 345 V C 2.461 178.564 176.094 0.014 0.000 1.044 345 V CA 2.029 64.322 62.300 -0.012 0.000 1.036 345 V CB -1.686 30.166 31.823 0.048 0.000 0.664 345 V HN 0.090 nan 8.190 nan 0.000 0.453 346 A N 0.226 123.068 122.820 0.035 0.000 1.908 346 A HA -0.182 4.138 4.320 -0.001 0.000 0.218 346 A C 2.177 179.769 177.584 0.014 0.000 1.181 346 A CA 1.949 54.009 52.037 0.039 0.000 0.627 346 A CB -0.550 18.465 19.000 0.024 0.000 0.818 346 A HN 0.511 nan 8.150 nan 0.000 0.445 347 I N -0.990 119.579 120.570 -0.001 0.000 2.226 347 I HA -0.274 3.895 4.170 -0.001 0.000 0.245 347 I C 2.759 178.867 176.117 -0.014 0.000 1.100 347 I CA 1.799 63.094 61.300 -0.007 0.000 1.374 347 I CB -0.373 37.623 38.000 -0.006 0.000 1.057 347 I HN 0.430 nan 8.210 nan 0.000 0.413 348 Q N 1.329 121.109 119.800 -0.034 0.000 2.084 348 Q HA -0.170 4.170 4.340 -0.001 0.000 0.202 348 Q C 2.199 178.168 176.000 -0.051 0.000 0.978 348 Q CA 2.192 57.961 55.803 -0.056 0.000 0.844 348 Q CB -0.207 28.469 28.738 -0.105 0.000 0.898 348 Q HN 0.496 nan 8.270 nan 0.000 0.426 349 A N -0.305 122.490 122.820 -0.040 0.000 1.930 349 A HA -0.017 4.302 4.320 -0.001 0.000 0.217 349 A C 2.248 179.842 177.584 0.017 0.000 1.175 349 A CA 1.496 53.536 52.037 0.004 0.000 0.627 349 A CB -1.306 17.747 19.000 0.089 0.000 0.815 349 A HN 0.556 nan 8.150 nan 0.000 0.443 350 G N -0.457 108.353 108.800 0.016 0.000 2.433 350 G HA2 -0.214 3.746 3.960 -0.001 0.000 0.216 350 G HA3 -0.214 3.746 3.960 -0.001 0.000 0.216 350 G C 1.787 176.698 174.900 0.018 0.000 1.186 350 G CA 0.873 45.983 45.100 0.017 0.000 0.779 350 G HN 0.542 nan 8.290 nan 0.000 0.543 351 R N -0.223 120.287 120.500 0.017 0.000 2.070 351 R HA 0.075 4.415 4.340 -0.001 0.000 0.233 351 R C 2.695 179.010 176.300 0.024 0.000 1.137 351 R CA 1.058 57.177 56.100 0.032 0.000 0.945 351 R CB -0.559 29.755 30.300 0.024 0.000 0.845 351 R HN 0.305 nan 8.270 nan 0.000 0.430 352 L N 0.631 121.852 121.223 -0.003 0.000 2.083 352 L HA -0.186 4.153 4.340 -0.001 0.000 0.209 352 L C 2.460 179.305 176.870 -0.043 0.000 1.083 352 L CA 0.570 55.398 54.840 -0.020 0.000 0.752 352 L CB -0.447 41.594 42.059 -0.031 0.000 0.899 352 L HN 0.205 nan 8.230 nan 0.000 0.433 353 L N 0.487 121.683 121.223 -0.044 0.000 1.970 353 L HA -0.202 4.137 4.340 -0.001 0.000 0.212 353 L C 2.678 179.459 176.870 -0.148 0.000 1.071 353 L CA 2.203 56.980 54.840 -0.106 0.000 0.751 353 L CB -0.784 41.215 42.059 -0.099 0.000 0.889 353 L HN 0.141 nan 8.230 nan 0.000 0.432 354 A N -1.230 121.566 122.820 -0.040 0.000 1.948 354 A HA -0.296 4.024 4.320 -0.001 0.000 0.220 354 A C 2.246 179.830 177.584 -0.000 0.000 1.177 354 A CA 2.065 54.149 52.037 0.078 0.000 0.636 354 A CB -0.696 18.430 19.000 0.211 0.000 0.815 354 A HN 0.721 nan 8.150 nan 0.000 0.449 355 Q N -1.172 118.597 119.800 -0.051 0.000 2.167 355 Q HA -0.094 4.245 4.340 -0.001 0.000 0.202 355 Q C 2.368 178.236 176.000 -0.221 0.000 0.970 355 Q CA 1.100 56.806 55.803 -0.161 0.000 0.855 355 Q CB -0.076 28.625 28.738 -0.062 0.000 0.911 355 Q HN 0.620 nan 8.270 nan 0.000 0.438 356 R N -0.062 120.322 120.500 -0.193 0.000 2.093 356 R HA -0.021 4.319 4.340 -0.001 0.000 0.224 356 R C 2.248 178.375 176.300 -0.288 0.000 1.101 356 R CA 0.727 56.712 56.100 -0.193 0.000 0.979 356 R CB -0.068 30.144 30.300 -0.146 0.000 0.877 356 R HN 0.243 nan 8.270 nan 0.000 0.441 357 L N -0.777 120.169 121.223 -0.462 0.000 2.027 357 L HA -0.154 4.185 4.340 -0.001 0.000 0.206 357 L C 1.307 177.708 176.870 -0.782 0.000 1.074 357 L CA 1.457 55.829 54.840 -0.780 0.000 0.745 357 L CB -0.160 41.073 42.059 -1.376 0.000 0.898 357 L HN 0.227 nan 8.230 nan 0.000 0.433 358 Y N -2.130 118.034 120.300 -0.227 0.000 2.481 358 Y HA 0.414 4.963 4.550 -0.001 0.000 0.247 358 Y C 1.386 176.996 175.900 -0.483 0.000 1.151 358 Y CA 0.159 58.093 58.100 -0.277 0.000 1.238 358 Y CB 0.161 38.506 38.460 -0.191 0.000 1.179 358 Y HN 0.008 nan 8.280 nan 0.000 0.524 359 A N -0.595 121.968 122.820 -0.428 0.000 2.585 359 A HA 0.591 4.910 4.320 -0.001 0.000 0.266 359 A C 1.767 179.235 177.584 -0.193 0.000 1.178 359 A CA 0.372 52.149 52.037 -0.432 0.000 0.966 359 A CB -0.366 18.208 19.000 -0.709 0.000 1.170 359 A HN 0.510 nan 8.150 nan 0.000 0.558 360 G N -0.136 108.569 108.800 -0.158 0.000 2.179 360 G HA2 -0.245 3.714 3.960 -0.001 0.000 0.260 360 G HA3 -0.245 3.714 3.960 -0.001 0.000 0.260 360 G C 0.576 175.426 174.900 -0.084 0.000 0.977 360 G CA 0.737 45.779 45.100 -0.096 0.000 0.641 360 G HN 1.334 nan 8.290 nan 0.000 0.533 361 S N -0.021 115.616 115.700 -0.105 0.000 2.576 361 S HA 0.498 4.968 4.470 -0.001 0.000 0.272 361 S C 1.404 175.967 174.600 -0.062 0.000 1.352 361 S CA 1.543 59.699 58.200 -0.074 0.000 1.021 361 S CB 0.655 63.807 63.200 -0.080 0.000 0.887 361 S HN 1.392 nan 8.310 nan 0.000 0.542 362 T N 0.350 114.879 114.554 -0.041 0.000 3.460 362 T HA 0.319 4.669 4.350 -0.001 0.000 0.304 362 T C -0.527 174.161 174.700 -0.021 0.000 0.991 362 T CA -0.450 61.632 62.100 -0.030 0.000 0.975 362 T CB -0.318 68.537 68.868 -0.022 0.000 1.196 362 T HN 0.291 nan 8.240 nan 0.000 0.490 363 V N 2.378 122.277 119.914 -0.026 0.000 2.364 363 V HA 0.407 4.526 4.120 -0.001 0.000 0.272 363 V C 0.213 176.297 176.094 -0.017 0.000 1.036 363 V CA -0.770 61.518 62.300 -0.020 0.000 0.880 363 V CB 1.079 32.888 31.823 -0.023 0.000 0.991 363 V HN 0.390 nan 8.190 nan 0.000 0.460 364 K N 2.631 123.028 120.400 -0.005 0.000 2.090 364 K HA 0.441 4.761 4.320 -0.001 0.000 0.250 364 K C -0.152 176.437 176.600 -0.017 0.000 1.004 364 K CA -0.469 55.824 56.287 0.010 0.000 0.919 364 K CB 1.264 33.786 32.500 0.037 0.000 1.045 364 K HN 0.719 nan 8.250 nan 0.000 0.471 365 C N 1.814 121.098 119.300 -0.026 0.000 2.527 365 C HA 0.165 4.624 4.460 -0.001 0.000 0.396 365 C C -0.254 174.618 174.990 -0.198 0.000 1.289 365 C CA -0.366 58.550 59.018 -0.170 0.000 2.047 365 C CB -0.251 27.316 27.740 -0.288 0.000 2.568 365 C HN 0.703 nan 8.230 nan 0.000 0.573 366 D N 3.727 123.992 120.400 -0.225 0.000 2.373 366 D HA 0.238 4.877 4.640 -0.001 0.000 0.227 366 D C -0.272 175.922 176.300 -0.176 0.000 1.091 366 D CA -0.175 53.761 54.000 -0.105 0.000 0.840 366 D CB 0.451 41.219 40.800 -0.052 0.000 1.060 366 D HN 0.693 nan 8.370 nan 0.000 0.502 367 Y N 1.346 121.654 120.300 0.013 0.000 2.461 367 Y HA 0.157 4.706 4.550 -0.001 0.000 0.277 367 Y C 0.744 176.655 175.900 0.018 0.000 1.182 367 Y CA -0.256 57.854 58.100 0.016 0.000 1.276 367 Y CB 0.346 38.815 38.460 0.015 0.000 1.087 367 Y HN 0.207 nan 8.280 nan 0.000 0.519 368 E N 1.343 121.622 120.200 0.132 0.000 2.289 368 E HA 0.079 4.428 4.350 -0.001 0.000 0.278 368 E C 0.155 176.793 176.600 0.063 0.000 1.032 368 E CA -0.129 56.326 56.400 0.092 0.000 0.854 368 E CB 0.268 30.014 29.700 0.076 0.000 1.046 368 E HN 0.287 nan 8.360 nan 0.000 0.409 369 N N 0.738 119.479 118.700 0.067 0.000 2.727 369 N HA -0.177 4.562 4.740 -0.001 0.000 0.249 369 N C -0.511 175.022 175.510 0.038 0.000 1.048 369 N CA 0.387 53.469 53.050 0.054 0.000 0.714 369 N CB -1.247 37.266 38.487 0.043 0.000 0.959 369 N HN 0.129 nan 8.380 nan 0.000 0.544 370 V N 1.665 121.611 119.914 0.052 0.000 2.614 370 V HA 0.244 4.364 4.120 -0.001 0.000 0.291 370 V C -1.083 175.040 176.094 0.049 0.000 1.049 370 V CA -0.708 61.615 62.300 0.039 0.000 1.038 370 V CB 1.232 33.089 31.823 0.056 0.000 0.980 370 V HN 0.159 nan 8.190 nan 0.000 0.481 371 P HA 0.374 nan 4.420 nan 0.000 0.282 371 P C -0.649 176.688 177.300 0.061 0.000 1.259 371 P CA -0.217 62.902 63.100 0.033 0.000 0.826 371 P CB 1.806 33.502 31.700 -0.006 0.000 1.064 372 T N -0.568 114.022 114.554 0.060 0.000 2.864 372 T HA 0.575 4.925 4.350 -0.001 0.000 0.299 372 T C -1.441 173.226 174.700 -0.055 0.000 1.166 372 T CA -0.259 61.891 62.100 0.083 0.000 1.007 372 T CB 1.145 70.165 68.868 0.252 0.000 1.219 372 T HN 0.378 nan 8.240 nan 0.000 0.506 373 T N 2.025 116.515 114.554 -0.107 0.000 3.109 373 T HA 0.444 4.793 4.350 -0.001 0.000 0.311 373 T C -0.968 173.439 174.700 -0.488 0.000 1.011 373 T CA -0.436 61.437 62.100 -0.379 0.000 1.026 373 T CB 1.258 69.819 68.868 -0.511 0.000 1.047 373 T HN 0.502 nan 8.240 nan 0.000 0.448 374 V N 4.307 123.967 119.914 -0.423 0.000 2.385 374 V HA 0.304 4.423 4.120 -0.001 0.000 0.269 374 V C -0.003 175.893 176.094 -0.330 0.000 1.043 374 V CA -0.445 61.724 62.300 -0.219 0.000 0.906 374 V CB -0.038 31.677 31.823 -0.180 0.000 0.995 374 V HN 0.879 nan 8.190 nan 0.000 0.467 375 F N 3.692 123.648 119.950 0.010 0.000 2.668 375 F HA 0.125 4.651 4.527 -0.001 0.000 0.365 375 F C 1.648 177.335 175.800 -0.188 0.000 1.165 375 F CA -0.398 57.490 58.000 -0.186 0.000 1.344 375 F CB -0.676 38.091 39.000 -0.388 0.000 1.658 375 F HN 0.579 nan 8.300 nan 0.000 0.620 376 T N -2.113 112.479 114.554 0.064 0.000 2.698 376 T HA 0.095 4.444 4.350 -0.001 0.000 0.295 376 T C -1.464 173.390 174.700 0.257 0.000 1.007 376 T CA -1.446 60.745 62.100 0.151 0.000 0.980 376 T CB 0.557 69.507 68.868 0.137 0.000 1.036 376 T HN -0.018 nan 8.240 nan 0.000 0.526 377 P HA 0.048 nan 4.420 nan 0.000 0.216 377 P C 0.192 177.655 177.300 0.272 0.000 1.150 377 P CA 0.479 63.776 63.100 0.329 0.000 0.837 377 P CB 0.027 31.881 31.700 0.257 0.000 0.786 378 L N 0.139 121.453 121.223 0.152 0.000 2.272 378 L HA 0.270 4.610 4.340 -0.001 0.000 0.289 378 L C 0.005 176.941 176.870 0.109 0.000 1.032 378 L CA -0.755 54.083 54.840 -0.003 0.000 0.810 378 L CB 0.421 42.196 42.059 -0.474 0.000 1.205 378 L HN -0.128 nan 8.230 nan 0.000 0.422 379 E N 3.389 123.695 120.200 0.177 0.000 2.392 379 E HA 0.141 4.490 4.350 -0.001 0.000 0.256 379 E C -1.522 175.172 176.600 0.157 0.000 1.145 379 E CA -0.079 56.402 56.400 0.135 0.000 0.929 379 E CB 0.830 30.621 29.700 0.152 0.000 0.998 379 E HN 0.503 nan 8.360 nan 0.000 0.442 380 Y N 0.184 120.430 120.300 -0.091 0.000 2.322 380 Y HA 0.459 5.008 4.550 -0.001 0.000 0.324 380 Y C -0.600 175.245 175.900 -0.092 0.000 1.027 380 Y CA -1.050 57.006 58.100 -0.073 0.000 1.179 380 Y CB 1.152 39.532 38.460 -0.133 0.000 1.136 380 Y HN 0.502 nan 8.280 nan 0.000 0.449 381 G N 3.148 111.912 108.800 -0.060 0.000 2.389 381 G HA2 0.786 4.745 3.960 -0.001 0.000 0.328 381 G HA3 0.786 4.745 3.960 -0.001 0.000 0.328 381 G C -1.517 173.240 174.900 -0.239 0.000 1.133 381 G CA -0.334 44.666 45.100 -0.167 0.000 0.891 381 G HN 1.092 nan 8.290 nan 0.000 0.485 382 A N -0.235 122.463 122.820 -0.203 0.000 2.594 382 A HA 0.719 5.038 4.320 -0.001 0.000 0.295 382 A C -1.094 176.503 177.584 0.022 0.000 1.071 382 A CA -0.498 51.476 52.037 -0.105 0.000 0.685 382 A CB 1.526 20.418 19.000 -0.179 0.000 1.285 382 A HN 1.859 nan 8.150 nan 0.000 0.405 383 C N 1.075 120.396 119.300 0.035 0.000 2.931 383 C HA 0.825 5.284 4.460 -0.001 0.000 0.370 383 C C 0.550 175.558 174.990 0.030 0.000 1.071 383 C CA 1.333 60.378 59.018 0.044 0.000 1.266 383 C CB 0.554 28.305 27.740 0.019 0.000 1.691 383 C HN 3.042 nan 8.230 nan 0.000 0.511 384 G N 4.307 113.142 108.800 0.058 0.000 2.545 384 G HA2 -0.052 3.908 3.960 -0.001 0.000 0.216 384 G HA3 -0.052 3.908 3.960 -0.001 0.000 0.216 384 G C -0.898 174.074 174.900 0.120 0.000 1.314 384 G CA -0.315 44.834 45.100 0.083 0.000 0.906 384 G HN 1.215 nan 8.290 nan 0.000 0.563 385 L N 1.087 122.408 121.223 0.163 0.000 2.417 385 L HA 0.499 4.838 4.340 -0.001 0.000 0.268 385 L C 1.617 178.693 176.870 0.342 0.000 1.158 385 L CA 0.030 54.998 54.840 0.214 0.000 0.819 385 L CB 1.117 43.310 42.059 0.223 0.000 1.112 385 L HN 0.990 nan 8.230 nan 0.000 0.458 386 S N 0.255 116.140 115.700 0.308 0.000 2.624 386 S HA 0.077 4.547 4.470 -0.001 0.000 0.263 386 S C 0.850 175.565 174.600 0.192 0.000 1.287 386 S CA -0.482 57.895 58.200 0.295 0.000 0.990 386 S CB 1.430 64.733 63.200 0.173 0.000 0.950 386 S HN 0.767 nan 8.310 nan 0.000 0.561 387 E N 0.789 121.037 120.200 0.080 0.000 2.058 387 E HA -0.236 4.114 4.350 -0.001 0.000 0.194 387 E C 1.594 178.233 176.600 0.066 0.000 0.997 387 E CA 1.825 58.266 56.400 0.068 0.000 0.801 387 E CB -0.255 29.445 29.700 0.000 0.000 0.746 387 E HN 0.823 nan 8.360 nan 0.000 0.450 388 E N 0.805 121.030 120.200 0.041 0.000 2.033 388 E HA -0.216 4.133 4.350 -0.001 0.000 0.199 388 E C 2.052 178.678 176.600 0.044 0.000 1.011 388 E CA 1.685 58.104 56.400 0.032 0.000 0.815 388 E CB -0.132 29.580 29.700 0.019 0.000 0.755 388 E HN 0.130 nan 8.360 nan 0.000 0.451 389 K N 0.338 120.772 120.400 0.056 0.000 2.113 389 K HA -0.135 4.184 4.320 -0.001 0.000 0.208 389 K C 2.081 178.714 176.600 0.056 0.000 1.047 389 K CA 1.380 57.693 56.287 0.043 0.000 0.928 389 K CB -0.285 32.248 32.500 0.055 0.000 0.716 389 K HN 0.185 nan 8.250 nan 0.000 0.446 390 A N 0.560 123.460 122.820 0.132 0.000 1.877 390 A HA -0.129 4.191 4.320 -0.001 0.000 0.216 390 A C 2.349 180.069 177.584 0.228 0.000 1.186 390 A CA 1.506 53.691 52.037 0.246 0.000 0.620 390 A CB -0.718 18.447 19.000 0.274 0.000 0.822 390 A HN 0.072 nan 8.150 nan 0.000 0.443 391 V N 0.334 120.326 119.914 0.131 0.000 2.255 391 V HA -0.326 3.794 4.120 -0.001 0.000 0.247 391 V C 2.597 178.725 176.094 0.056 0.000 1.051 391 V CA 2.505 64.862 62.300 0.096 0.000 1.018 391 V CB -0.799 31.054 31.823 0.050 0.000 0.641 391 V HN 0.836 nan 8.190 nan 0.000 0.445 392 E N 0.511 120.720 120.200 0.015 0.000 2.049 392 E HA -0.337 4.012 4.350 -0.001 0.000 0.198 392 E C 2.317 178.861 176.600 -0.092 0.000 1.007 392 E CA 2.165 58.548 56.400 -0.029 0.000 0.809 392 E CB -0.240 29.440 29.700 -0.033 0.000 0.749 392 E HN 0.577 nan 8.360 nan 0.000 0.450 393 K N -1.123 119.163 120.400 -0.190 0.000 2.217 393 K HA -0.093 4.227 4.320 -0.001 0.000 0.202 393 K C 1.278 177.526 176.600 -0.586 0.000 1.051 393 K CA 1.288 57.304 56.287 -0.452 0.000 0.952 393 K CB 0.037 32.098 32.500 -0.732 0.000 0.736 393 K HN 0.194 nan 8.250 nan 0.000 0.453 394 F N -0.537 119.423 119.950 0.017 0.000 2.752 394 F HA 0.314 4.841 4.527 -0.001 0.000 0.310 394 F C 0.429 176.235 175.800 0.011 0.000 1.097 394 F CA 0.070 58.079 58.000 0.016 0.000 1.238 394 F CB 1.591 40.604 39.000 0.021 0.000 1.061 394 F HN 0.072 nan 8.300 nan 0.000 0.591 395 G N 1.734 110.625 108.800 0.153 0.000 3.338 395 G HA2 -0.179 3.780 3.960 -0.001 0.000 0.686 395 G HA3 -0.179 3.780 3.960 -0.001 0.000 0.686 395 G C 0.375 175.329 174.900 0.091 0.000 1.053 395 G CA -0.239 44.918 45.100 0.094 0.000 0.852 395 G HN 0.058 nan 8.290 nan 0.000 0.545 396 E N 1.303 121.535 120.200 0.054 0.000 2.113 396 E HA -0.275 4.074 4.350 -0.001 0.000 0.210 396 E C 2.453 179.067 176.600 0.024 0.000 1.040 396 E CA 2.277 58.697 56.400 0.034 0.000 0.847 396 E CB -0.015 29.694 29.700 0.016 0.000 0.755 396 E HN 0.835 nan 8.360 nan 0.000 0.459 397 E N 0.090 120.304 120.200 0.024 0.000 2.267 397 E HA -0.179 4.171 4.350 -0.001 0.000 0.197 397 E C 1.043 177.652 176.600 0.015 0.000 0.998 397 E CA 0.957 57.365 56.400 0.014 0.000 0.830 397 E CB -0.551 29.159 29.700 0.017 0.000 0.751 397 E HN 0.257 nan 8.360 nan 0.000 0.491 398 N N 0.207 118.928 118.700 0.035 0.000 2.230 398 N HA 0.169 4.909 4.740 -0.001 0.000 0.202 398 N C -0.460 175.051 175.510 0.001 0.000 1.119 398 N CA -0.078 52.987 53.050 0.025 0.000 0.851 398 N CB 0.558 39.078 38.487 0.055 0.000 0.990 398 N HN 0.113 nan 8.380 nan 0.000 0.497 399 I N 0.713 121.288 120.570 0.008 0.000 2.404 399 I HA 0.206 4.375 4.170 -0.001 0.000 0.293 399 I C -0.090 175.992 176.117 -0.059 0.000 0.992 399 I CA -0.704 60.591 61.300 -0.009 0.000 1.149 399 I CB 1.883 39.906 38.000 0.038 0.000 1.315 399 I HN -0.218 nan 8.210 nan 0.000 0.446 400 E N 4.870 125.016 120.200 -0.091 0.000 2.187 400 E HA 0.627 4.977 4.350 -0.001 0.000 0.268 400 E C -1.486 174.973 176.600 -0.235 0.000 0.896 400 E CA -0.470 55.799 56.400 -0.218 0.000 0.766 400 E CB 1.670 31.216 29.700 -0.256 0.000 1.142 400 E HN 0.260 nan 8.360 nan 0.000 0.408 401 V N 5.519 125.252 119.914 -0.301 0.000 2.357 401 V HA 0.374 4.494 4.120 -0.001 0.000 0.284 401 V C -0.929 174.990 176.094 -0.291 0.000 1.018 401 V CA -0.723 61.455 62.300 -0.204 0.000 0.841 401 V CB 0.452 32.169 31.823 -0.177 0.000 0.991 401 V HN 0.593 nan 8.190 nan 0.000 0.437 402 Y N 4.599 124.867 120.300 -0.053 0.000 2.342 402 Y HA 0.702 5.251 4.550 -0.001 0.000 0.334 402 Y C 0.553 176.452 175.900 -0.002 0.000 1.067 402 Y CA -0.433 57.655 58.100 -0.020 0.000 1.128 402 Y CB 1.362 39.821 38.460 -0.002 0.000 1.200 402 Y HN 0.855 nan 8.280 nan 0.000 0.464 403 H N -1.039 118.034 119.070 0.005 0.000 3.017 403 H HA 0.832 5.387 4.556 -0.001 0.000 0.346 403 H C -1.529 173.670 175.328 -0.214 0.000 1.286 403 H CA -1.175 54.742 56.048 -0.219 0.000 1.120 403 H CB 2.156 31.760 29.762 -0.262 0.000 1.860 403 H HN 0.545 nan 8.280 nan 0.000 0.542 404 S N 0.722 116.141 115.700 -0.470 0.000 2.565 404 S HA 0.289 4.758 4.470 -0.001 0.000 0.274 404 S C -1.886 172.506 174.600 -0.347 0.000 1.144 404 S CA -0.741 57.251 58.200 -0.347 0.000 0.849 404 S CB 0.933 64.030 63.200 -0.172 0.000 1.103 404 S HN 0.537 nan 8.310 nan 0.000 0.455 405 Y N 2.181 122.479 120.300 -0.003 0.000 2.295 405 Y HA 0.686 5.236 4.550 -0.001 0.000 0.331 405 Y C 0.314 176.334 175.900 0.198 0.000 1.311 405 Y CA 0.258 58.407 58.100 0.081 0.000 1.430 405 Y CB 0.870 39.349 38.460 0.031 0.000 1.339 405 Y HN 0.678 nan 8.280 nan 0.000 0.552 406 F N -1.728 118.317 119.950 0.158 0.000 2.713 406 F HA 0.485 5.011 4.527 -0.001 0.000 0.311 406 F C -2.036 173.898 175.800 0.223 0.000 1.141 406 F CA -1.823 56.246 58.000 0.116 0.000 0.939 406 F CB 1.009 39.997 39.000 -0.019 0.000 1.325 406 F HN 0.360 nan 8.300 nan 0.000 0.453 407 W N 4.251 125.638 121.300 0.144 0.000 2.463 407 W HA 0.682 5.342 4.660 -0.001 0.000 0.316 407 W C -2.955 173.524 176.519 -0.067 0.000 1.004 407 W CA -3.357 53.991 57.345 0.005 0.000 1.309 407 W CB 1.267 30.776 29.460 0.082 0.000 1.288 407 W HN 0.346 nan 8.180 nan 0.000 0.423 408 P HA -0.117 nan 4.420 nan 0.000 0.261 408 P C 1.065 178.053 177.300 -0.520 0.000 1.183 408 P CA 0.039 62.840 63.100 -0.499 0.000 0.761 408 P CB 0.670 31.735 31.700 -1.058 0.000 0.785 409 L N 4.516 125.548 121.223 -0.317 0.000 2.043 409 L HA -0.242 4.098 4.340 -0.001 0.000 0.212 409 L C 1.722 178.469 176.870 -0.205 0.000 1.075 409 L CA 2.073 56.744 54.840 -0.281 0.000 0.752 409 L CB -1.014 40.946 42.059 -0.164 0.000 0.891 409 L HN 0.295 nan 8.230 nan 0.000 0.432 410 E N -1.258 118.872 120.200 -0.117 0.000 2.267 410 E HA -0.227 4.123 4.350 -0.001 0.000 0.197 410 E C 1.733 178.491 176.600 0.262 0.000 0.998 410 E CA 1.404 57.865 56.400 0.103 0.000 0.830 410 E CB -0.316 29.450 29.700 0.110 0.000 0.751 410 E HN 0.604 nan 8.360 nan 0.000 0.491 411 W N 0.218 121.464 121.300 -0.089 0.000 2.770 411 W HA 0.061 4.720 4.660 -0.001 0.000 0.256 411 W C 2.172 178.593 176.519 -0.163 0.000 1.291 411 W CA 1.223 58.543 57.345 -0.042 0.000 1.396 411 W CB -1.292 28.229 29.460 0.102 0.000 1.114 411 W HN 0.170 nan 8.180 nan 0.000 0.637 412 T N -1.588 112.743 114.554 -0.372 0.000 2.684 412 T HA -0.234 4.115 4.350 -0.001 0.000 0.267 412 T C 1.901 176.553 174.700 -0.080 0.000 1.036 412 T CA 1.457 63.280 62.100 -0.462 0.000 1.148 412 T CB -0.671 67.817 68.868 -0.633 0.000 0.863 412 T HN 0.086 nan 8.240 nan 0.000 0.436 413 I N 2.036 122.539 120.570 -0.112 0.000 2.179 413 I HA -0.057 4.112 4.170 -0.001 0.000 0.242 413 I C -0.550 175.522 176.117 -0.075 0.000 1.088 413 I CA 1.195 62.371 61.300 -0.206 0.000 1.357 413 I CB -0.874 36.728 38.000 -0.665 0.000 1.051 413 I HN 0.264 nan 8.210 nan 0.000 0.409 414 P HA -0.076 nan 4.420 nan 0.000 0.233 414 P C 0.343 177.730 177.300 0.146 0.000 1.167 414 P CA 0.633 63.807 63.100 0.124 0.000 0.770 414 P CB 0.099 31.923 31.700 0.206 0.000 0.837 415 S N -0.096 115.728 115.700 0.205 0.000 3.667 415 S HA -0.173 4.296 4.470 -0.001 0.000 0.405 415 S C 0.050 174.832 174.600 0.303 0.000 0.913 415 S CA 0.404 58.782 58.200 0.296 0.000 1.288 415 S CB -1.498 61.811 63.200 0.181 0.000 0.905 415 S HN 0.478 nan 8.310 nan 0.000 0.550 416 R N 0.698 121.455 120.500 0.428 0.000 2.774 416 R HA 0.623 4.962 4.340 -0.001 0.000 0.272 416 R C -0.923 175.626 176.300 0.415 0.000 1.000 416 R CA -0.450 55.825 56.100 0.292 0.000 0.906 416 R CB 0.450 30.825 30.300 0.126 0.000 1.227 416 R HN 0.147 nan 8.270 nan 0.000 0.468 417 D N 0.916 121.441 120.400 0.207 0.000 2.810 417 D HA -0.217 4.422 4.640 -0.001 0.000 0.224 417 D C -0.752 175.672 176.300 0.207 0.000 1.222 417 D CA 0.933 55.057 54.000 0.207 0.000 0.698 417 D CB -0.699 40.186 40.800 0.142 0.000 0.961 417 D HN 0.567 nan 8.370 nan 0.000 0.403 418 N N 0.832 119.373 118.700 -0.266 0.000 2.467 418 N HA 0.032 4.772 4.740 -0.001 0.000 0.262 418 N C 0.446 175.728 175.510 -0.379 0.000 1.234 418 N CA 0.049 52.536 53.050 -0.938 0.000 0.952 418 N CB 0.229 37.919 38.487 -1.329 0.000 1.158 418 N HN 0.289 nan 8.380 nan 0.000 0.463 419 N N -0.109 118.419 118.700 -0.287 0.000 2.708 419 N HA -0.214 4.526 4.740 -0.001 0.000 0.249 419 N C -0.082 175.461 175.510 0.055 0.000 1.097 419 N CA 0.441 53.411 53.050 -0.134 0.000 0.710 419 N CB -0.129 38.104 38.487 -0.423 0.000 1.032 419 N HN 0.531 nan 8.380 nan 0.000 0.551 420 K N -0.549 119.953 120.400 0.170 0.000 2.262 420 K HA 0.203 4.522 4.320 -0.001 0.000 0.200 420 K C 0.798 177.474 176.600 0.126 0.000 1.058 420 K CA 0.435 56.847 56.287 0.208 0.000 0.974 420 K CB -0.046 32.609 32.500 0.259 0.000 0.910 420 K HN 0.253 nan 8.250 nan 0.000 0.484 421 C N 1.931 121.187 119.300 -0.074 0.000 2.676 421 C HA 0.272 4.732 4.460 -0.001 0.000 0.416 421 C C 0.323 174.985 174.990 -0.546 0.000 1.299 421 C CA -0.451 58.239 59.018 -0.548 0.000 2.048 421 C CB -1.129 25.771 27.740 -1.400 0.000 2.713 421 C HN 0.440 nan 8.230 nan 0.000 0.624 422 Y N 0.520 120.521 120.300 -0.498 0.000 2.519 422 Y HA 0.612 5.161 4.550 -0.001 0.000 0.336 422 Y C -0.552 175.350 175.900 0.004 0.000 1.089 422 Y CA -0.424 57.467 58.100 -0.348 0.000 1.025 422 Y CB 0.966 39.120 38.460 -0.510 0.000 1.318 422 Y HN 0.883 nan 8.280 nan 0.000 0.452 423 A N 5.248 127.708 122.820 -0.600 0.000 2.435 423 A HA 0.882 5.201 4.320 -0.001 0.000 0.304 423 A C -1.638 175.484 177.584 -0.769 0.000 1.064 423 A CA -0.718 50.956 52.037 -0.605 0.000 0.727 423 A CB 1.693 20.064 19.000 -1.049 0.000 1.284 423 A HN 0.812 nan 8.150 nan 0.000 0.415 424 K N 0.865 121.051 120.400 -0.356 0.000 2.578 424 K HA 0.690 5.009 4.320 -0.001 0.000 0.269 424 K C -1.571 175.068 176.600 0.064 0.000 0.941 424 K CA -0.646 55.548 56.287 -0.155 0.000 0.847 424 K CB 1.391 33.833 32.500 -0.096 0.000 1.397 424 K HN 1.087 nan 8.250 nan 0.000 0.422 425 I N -0.494 120.153 120.570 0.130 0.000 2.689 425 I HA 0.592 4.761 4.170 -0.001 0.000 0.299 425 I C -1.275 174.964 176.117 0.204 0.000 1.059 425 I CA -1.429 59.983 61.300 0.188 0.000 1.055 425 I CB 1.775 39.898 38.000 0.205 0.000 1.243 425 I HN 0.505 nan 8.210 nan 0.000 0.425 426 I N 4.772 125.457 120.570 0.191 0.000 2.362 426 I HA 0.430 4.599 4.170 -0.001 0.000 0.289 426 I C -0.511 175.678 176.117 0.120 0.000 0.994 426 I CA 0.027 61.415 61.300 0.148 0.000 1.158 426 I CB 1.441 39.545 38.000 0.174 0.000 1.315 426 I HN 0.675 nan 8.210 nan 0.000 0.451 427 C N 4.353 123.711 119.300 0.098 0.000 2.493 427 C HA 0.488 4.947 4.460 -0.001 0.000 0.326 427 C C 0.307 175.266 174.990 -0.052 0.000 1.200 427 C CA -0.801 58.249 59.018 0.054 0.000 1.739 427 C CB 1.421 29.255 27.740 0.156 0.000 2.300 427 C HN 0.733 nan 8.230 nan 0.000 0.500 428 N N 1.120 119.728 118.700 -0.153 0.000 2.589 428 N HA 0.142 4.881 4.740 -0.001 0.000 0.232 428 N C 0.988 176.402 175.510 -0.160 0.000 1.015 428 N CA 0.067 52.942 53.050 -0.292 0.000 0.931 428 N CB 0.822 38.919 38.487 -0.651 0.000 1.150 428 N HN 0.673 nan 8.380 nan 0.000 0.512 429 T N 2.530 117.031 114.554 -0.089 0.000 2.649 429 T HA -0.174 4.175 4.350 -0.001 0.000 0.268 429 T C 1.158 175.835 174.700 -0.038 0.000 1.036 429 T CA 1.492 63.568 62.100 -0.039 0.000 1.157 429 T CB 0.024 68.877 68.868 -0.025 0.000 0.861 429 T HN 0.512 nan 8.240 nan 0.000 0.445 430 K N 0.758 121.129 120.400 -0.049 0.000 2.569 430 K HA 0.020 4.339 4.320 -0.001 0.000 0.193 430 K C 0.076 176.656 176.600 -0.034 0.000 1.026 430 K CA 0.303 56.575 56.287 -0.024 0.000 1.093 430 K CB 0.204 32.708 32.500 0.006 0.000 0.849 430 K HN 0.165 nan 8.250 nan 0.000 0.509 431 D N 0.461 120.822 120.400 -0.065 0.000 2.849 431 D HA 0.075 4.715 4.640 -0.001 0.000 0.314 431 D C -0.861 175.411 176.300 -0.046 0.000 1.210 431 D CA -0.311 53.655 54.000 -0.058 0.000 0.756 431 D CB -0.403 40.338 40.800 -0.100 0.000 1.222 431 D HN -0.031 nan 8.370 nan 0.000 0.521 432 N N 2.277 120.963 118.700 -0.023 0.000 2.710 432 N HA -0.244 4.496 4.740 -0.001 0.000 0.249 432 N C -0.553 174.952 175.510 -0.008 0.000 1.059 432 N CA 1.271 54.314 53.050 -0.010 0.000 0.720 432 N CB -0.811 37.672 38.487 -0.007 0.000 0.983 432 N HN 0.685 nan 8.380 nan 0.000 0.544 433 E N -2.240 117.953 120.200 -0.012 0.000 2.360 433 E HA -0.292 4.057 4.350 -0.001 0.000 0.238 433 E C 0.163 176.762 176.600 -0.002 0.000 1.186 433 E CA 0.555 56.960 56.400 0.008 0.000 0.719 433 E CB -0.827 28.907 29.700 0.057 0.000 1.236 433 E HN 0.455 nan 8.360 nan 0.000 0.386 434 R N 0.275 120.749 120.500 -0.043 0.000 2.538 434 R HA 0.057 4.397 4.340 -0.001 0.000 0.282 434 R C -0.047 176.240 176.300 -0.021 0.000 1.009 434 R CA 0.111 56.188 56.100 -0.038 0.000 1.063 434 R CB 0.603 30.862 30.300 -0.069 0.000 0.945 434 R HN -0.030 nan 8.270 nan 0.000 0.414 435 V N 7.209 127.135 119.914 0.020 0.000 2.397 435 V HA -0.021 4.098 4.120 -0.001 0.000 0.262 435 V C 1.110 177.234 176.094 0.051 0.000 1.047 435 V CA 0.231 62.564 62.300 0.056 0.000 1.003 435 V CB 0.755 32.625 31.823 0.078 0.000 1.037 435 V HN 0.796 nan 8.190 nan 0.000 0.480 436 V N 2.038 121.984 119.914 0.054 0.000 3.621 436 V HA 0.660 4.779 4.120 -0.001 0.000 0.285 436 V C 0.742 176.913 176.094 0.129 0.000 1.346 436 V CA 0.658 63.008 62.300 0.084 0.000 1.104 436 V CB 0.177 32.048 31.823 0.081 0.000 0.913 436 V HN 0.797 nan 8.190 nan 0.000 0.432 437 G N -0.040 108.839 108.800 0.131 0.000 2.766 437 G HA2 0.557 4.516 3.960 -0.001 0.000 0.297 437 G HA3 0.557 4.516 3.960 -0.001 0.000 0.297 437 G C -1.966 172.982 174.900 0.080 0.000 1.431 437 G CA -0.518 44.654 45.100 0.120 0.000 1.042 437 G HN 0.247 nan 8.290 nan 0.000 0.542 438 F N 3.320 123.097 119.950 -0.289 0.000 2.529 438 F HA 0.736 5.262 4.527 -0.001 0.000 0.320 438 F C -0.760 174.730 175.800 -0.516 0.000 1.118 438 F CA -0.682 57.143 58.000 -0.291 0.000 0.915 438 F CB 1.689 40.522 39.000 -0.279 0.000 1.161 438 F HN 0.483 nan 8.300 nan 0.000 0.445 439 H N 5.171 123.914 119.070 -0.546 0.000 2.856 439 H HA 0.647 5.203 4.556 -0.001 0.000 0.355 439 H C -1.486 173.752 175.328 -0.151 0.000 1.079 439 H CA -0.843 55.109 56.048 -0.160 0.000 1.240 439 H CB 2.079 31.936 29.762 0.158 0.000 1.701 439 H HN 0.593 nan 8.280 nan 0.000 0.527 440 V N 4.631 124.672 119.914 0.212 0.000 2.668 440 V HA 0.317 4.436 4.120 -0.001 0.000 0.304 440 V C -1.608 174.731 176.094 0.409 0.000 1.071 440 V CA -0.719 61.774 62.300 0.321 0.000 0.894 440 V CB 2.250 34.310 31.823 0.395 0.000 1.008 440 V HN 0.510 nan 8.190 nan 0.000 0.425 441 L N 7.371 128.787 121.223 0.321 0.000 2.295 441 L HA 1.037 5.377 4.340 -0.001 0.000 0.281 441 L C 0.085 177.053 176.870 0.163 0.000 1.018 441 L CA 1.126 56.090 54.840 0.206 0.000 0.841 441 L CB 0.811 42.907 42.059 0.061 0.000 1.218 441 L HN 1.037 nan 8.230 nan 0.000 0.424 442 G N 4.274 113.202 108.800 0.213 0.000 2.342 442 G HA2 0.340 4.300 3.960 -0.001 0.000 0.297 442 G HA3 0.340 4.300 3.960 -0.001 0.000 0.297 442 G C -3.392 171.661 174.900 0.256 0.000 1.313 442 G CA -0.699 44.523 45.100 0.203 0.000 0.830 442 G HN 0.359 nan 8.290 nan 0.000 0.506 443 P HA 0.145 nan 4.420 nan 0.000 0.269 443 P C -0.222 177.222 177.300 0.240 0.000 1.215 443 P CA 0.122 63.388 63.100 0.277 0.000 0.780 443 P CB 0.397 32.260 31.700 0.272 0.000 0.898 444 N N -0.114 118.736 118.700 0.249 0.000 2.716 444 N HA -0.232 4.507 4.740 -0.001 0.000 0.250 444 N C 1.151 176.790 175.510 0.215 0.000 1.033 444 N CA 1.057 54.242 53.050 0.226 0.000 0.727 444 N CB -1.676 36.912 38.487 0.168 0.000 0.950 444 N HN 0.600 nan 8.380 nan 0.000 0.541 445 A N -0.143 122.807 122.820 0.217 0.000 1.972 445 A HA 0.018 4.338 4.320 -0.001 0.000 0.219 445 A C 2.273 179.946 177.584 0.148 0.000 1.169 445 A CA 2.029 54.184 52.037 0.197 0.000 0.635 445 A CB -0.591 18.507 19.000 0.163 0.000 0.810 445 A HN 0.524 nan 8.150 nan 0.000 0.446 446 G N -0.326 108.551 108.800 0.128 0.000 2.404 446 G HA2 -0.155 3.804 3.960 -0.001 0.000 0.215 446 G HA3 -0.155 3.804 3.960 -0.001 0.000 0.215 446 G C 1.344 176.316 174.900 0.119 0.000 1.174 446 G CA 0.852 46.023 45.100 0.119 0.000 0.780 446 G HN 0.508 nan 8.290 nan 0.000 0.537 447 E N 0.620 120.901 120.200 0.136 0.000 2.085 447 E HA -0.102 4.247 4.350 -0.001 0.000 0.194 447 E C 2.796 179.442 176.600 0.077 0.000 0.994 447 E CA 0.905 57.359 56.400 0.091 0.000 0.801 447 E CB -0.639 29.116 29.700 0.091 0.000 0.743 447 E HN 0.337 nan 8.360 nan 0.000 0.453 448 V N 1.455 121.447 119.914 0.131 0.000 2.427 448 V HA -0.176 3.943 4.120 -0.001 0.000 0.248 448 V C 2.273 178.460 176.094 0.155 0.000 1.051 448 V CA 2.006 64.412 62.300 0.178 0.000 1.048 448 V CB -0.686 31.302 31.823 0.274 0.000 0.666 448 V HN 0.279 nan 8.190 nan 0.000 0.456 449 T N -1.064 113.558 114.554 0.114 0.000 2.896 449 T HA -0.170 4.179 4.350 -0.001 0.000 0.263 449 T C 1.862 176.490 174.700 -0.120 0.000 1.050 449 T CA 1.241 63.337 62.100 -0.006 0.000 1.140 449 T CB -0.163 68.759 68.868 0.090 0.000 0.877 449 T HN 0.373 nan 8.240 nan 0.000 0.457 450 Q N 1.627 121.389 119.800 -0.063 0.000 2.029 450 Q HA -0.112 4.228 4.340 -0.001 0.000 0.209 450 Q C 2.411 178.311 176.000 -0.168 0.000 0.999 450 Q CA 2.423 58.172 55.803 -0.091 0.000 0.857 450 Q CB -1.156 27.550 28.738 -0.053 0.000 0.926 450 Q HN 0.503 nan 8.270 nan 0.000 0.415 451 G N -1.072 107.590 108.800 -0.230 0.000 2.446 451 G HA2 -0.258 3.701 3.960 -0.001 0.000 0.217 451 G HA3 -0.258 3.701 3.960 -0.001 0.000 0.217 451 G C 1.136 175.756 174.900 -0.466 0.000 1.168 451 G CA 0.858 45.749 45.100 -0.348 0.000 0.771 451 G HN 0.410 nan 8.290 nan 0.000 0.551 452 F N 1.940 121.627 119.950 -0.438 0.000 2.202 452 F HA -0.015 4.512 4.527 -0.001 0.000 0.301 452 F C 3.007 178.527 175.800 -0.468 0.000 1.082 452 F CA 0.808 58.453 58.000 -0.592 0.000 1.313 452 F CB -0.422 37.833 39.000 -1.242 0.000 1.024 452 F HN 0.253 nan 8.300 nan 0.000 0.495 453 A N 0.076 122.742 122.820 -0.258 0.000 1.877 453 A HA -0.117 4.202 4.320 -0.001 0.000 0.216 453 A C 2.467 179.974 177.584 -0.129 0.000 1.186 453 A CA 1.905 53.842 52.037 -0.166 0.000 0.620 453 A CB -1.382 17.543 19.000 -0.125 0.000 0.822 453 A HN 0.303 nan 8.150 nan 0.000 0.443 454 A N -0.249 122.483 122.820 -0.147 0.000 1.978 454 A HA 0.106 4.426 4.320 -0.001 0.000 0.220 454 A C 2.467 179.980 177.584 -0.119 0.000 1.170 454 A CA 2.204 54.166 52.037 -0.123 0.000 0.636 454 A CB -0.955 17.963 19.000 -0.137 0.000 0.810 454 A HN 1.102 nan 8.150 nan 0.000 0.448 455 A N -0.209 122.519 122.820 -0.153 0.000 1.902 455 A HA -0.037 4.283 4.320 -0.001 0.000 0.217 455 A C 2.134 179.684 177.584 -0.056 0.000 1.181 455 A CA 1.445 53.415 52.037 -0.112 0.000 0.623 455 A CB -0.546 18.381 19.000 -0.121 0.000 0.818 455 A HN 0.472 nan 8.150 nan 0.000 0.443 456 L N -0.889 120.305 121.223 -0.049 0.000 2.083 456 L HA -0.158 4.181 4.340 -0.001 0.000 0.209 456 L C 2.454 179.313 176.870 -0.018 0.000 1.083 456 L CA 1.189 56.018 54.840 -0.018 0.000 0.752 456 L CB -0.544 41.508 42.059 -0.012 0.000 0.899 456 L HN 0.282 nan 8.230 nan 0.000 0.433 457 K N -0.056 120.323 120.400 -0.034 0.000 2.211 457 K HA -0.148 4.171 4.320 -0.001 0.000 0.204 457 K C 1.892 178.478 176.600 -0.024 0.000 1.047 457 K CA 1.184 57.455 56.287 -0.027 0.000 0.935 457 K CB -0.444 32.032 32.500 -0.040 0.000 0.728 457 K HN 0.417 nan 8.250 nan 0.000 0.452 458 C N -0.487 118.794 119.300 -0.031 0.000 2.618 458 C HA 0.223 4.683 4.460 -0.001 0.000 0.264 458 C C 1.335 176.315 174.990 -0.016 0.000 1.334 458 C CA 0.227 59.228 59.018 -0.027 0.000 1.731 458 C CB -0.689 27.028 27.740 -0.039 0.000 1.852 458 C HN 0.659 nan 8.230 nan 0.000 0.566 459 G N 0.818 109.613 108.800 -0.009 0.000 2.130 459 G HA2 -0.218 3.741 3.960 -0.001 0.000 0.216 459 G HA3 -0.218 3.741 3.960 -0.001 0.000 0.216 459 G C -0.010 174.890 174.900 -0.001 0.000 0.999 459 G CA 0.080 45.179 45.100 -0.002 0.000 0.686 459 G HN 0.514 nan 8.290 nan 0.000 0.515 460 L N 2.385 123.608 121.223 0.000 0.000 2.678 460 L HA 0.461 4.800 4.340 -0.001 0.000 0.285 460 L C 1.109 177.988 176.870 0.016 0.000 1.233 460 L CA 1.490 56.336 54.840 0.010 0.000 0.920 460 L CB 0.272 42.347 42.059 0.026 0.000 1.176 460 L HN 0.632 nan 8.230 nan 0.000 0.495 461 T N 1.212 115.773 114.554 0.011 0.000 2.950 461 T HA 0.386 4.735 4.350 -0.001 0.000 0.288 461 T C 0.814 175.518 174.700 0.007 0.000 1.035 461 T CA -0.570 61.535 62.100 0.008 0.000 1.028 461 T CB 1.565 70.433 68.868 0.001 0.000 1.109 461 T HN 0.560 nan 8.240 nan 0.000 0.514 462 K N 0.944 121.344 120.400 0.001 0.000 2.063 462 K HA -0.050 4.269 4.320 -0.001 0.000 0.208 462 K C 2.112 178.684 176.600 -0.047 0.000 1.048 462 K CA 1.697 57.959 56.287 -0.041 0.000 0.928 462 K CB -0.607 31.859 32.500 -0.057 0.000 0.713 462 K HN 0.715 nan 8.250 nan 0.000 0.442 463 K N 0.185 120.572 120.400 -0.023 0.000 2.103 463 K HA -0.190 4.129 4.320 -0.001 0.000 0.207 463 K C 2.066 178.657 176.600 -0.014 0.000 1.048 463 K CA 1.804 58.080 56.287 -0.019 0.000 0.930 463 K CB -0.007 32.488 32.500 -0.007 0.000 0.716 463 K HN 0.321 nan 8.250 nan 0.000 0.444 464 Q N 0.065 119.861 119.800 -0.007 0.000 2.187 464 Q HA -0.109 4.230 4.340 -0.001 0.000 0.199 464 Q C 2.036 178.041 176.000 0.008 0.000 0.957 464 Q CA 0.725 56.527 55.803 -0.002 0.000 0.857 464 Q CB 0.004 28.741 28.738 -0.001 0.000 0.929 464 Q HN 0.216 nan 8.270 nan 0.000 0.453 465 L N 1.262 122.495 121.223 0.017 0.000 2.056 465 L HA -0.158 4.182 4.340 -0.001 0.000 0.207 465 L C 1.414 178.299 176.870 0.025 0.000 1.078 465 L CA 1.877 56.747 54.840 0.050 0.000 0.749 465 L CB -0.353 41.743 42.059 0.062 0.000 0.901 465 L HN 0.062 nan 8.230 nan 0.000 0.433 466 D N -0.750 119.639 120.400 -0.017 0.000 2.178 466 D HA -0.159 4.480 4.640 -0.001 0.000 0.201 466 D C 2.325 178.619 176.300 -0.011 0.000 0.980 466 D CA 1.511 55.493 54.000 -0.029 0.000 0.842 466 D CB -0.121 40.646 40.800 -0.055 0.000 0.948 466 D HN 0.566 nan 8.370 nan 0.000 0.472 467 S N -0.622 115.074 115.700 -0.007 0.000 2.561 467 S HA -0.024 4.446 4.470 -0.001 0.000 0.225 467 S C 0.889 175.489 174.600 -0.001 0.000 0.977 467 S CA 0.093 58.290 58.200 -0.006 0.000 0.926 467 S CB -0.173 63.023 63.200 -0.008 0.000 0.769 467 S HN -0.064 nan 8.310 nan 0.000 0.533 468 T N 4.150 118.710 114.554 0.010 0.000 2.856 468 T HA 0.460 4.809 4.350 -0.001 0.000 0.292 468 T C -0.050 174.661 174.700 0.018 0.000 0.980 468 T CA -0.532 61.575 62.100 0.011 0.000 1.091 468 T CB 0.640 69.523 68.868 0.025 0.000 0.936 468 T HN 0.128 nan 8.240 nan 0.000 0.503 469 I N 2.504 123.080 120.570 0.010 0.000 2.532 469 I HA 0.385 4.554 4.170 -0.001 0.000 0.292 469 I C 1.240 177.374 176.117 0.027 0.000 1.014 469 I CA -0.682 60.626 61.300 0.013 0.000 1.340 469 I CB 0.631 38.633 38.000 0.004 0.000 1.422 469 I HN 0.690 nan 8.210 nan 0.000 0.528 470 G N 5.216 114.037 108.800 0.035 0.000 2.562 470 G HA2 0.595 4.554 3.960 -0.001 0.000 0.275 470 G HA3 0.595 4.554 3.960 -0.001 0.000 0.275 470 G C -0.384 174.550 174.900 0.056 0.000 1.196 470 G CA -0.571 44.563 45.100 0.057 0.000 0.908 470 G HN 0.499 nan 8.290 nan 0.000 0.524 471 I N 0.402 121.013 120.570 0.068 0.000 2.339 471 I HA 0.212 4.381 4.170 -0.001 0.000 0.290 471 I C -0.443 175.741 176.117 0.112 0.000 0.994 471 I CA -0.677 60.663 61.300 0.066 0.000 1.191 471 I CB 1.516 39.537 38.000 0.035 0.000 1.343 471 I HN 0.440 nan 8.210 nan 0.000 0.458 472 H N 7.928 126.997 119.070 -0.001 0.000 2.457 472 H HA 0.564 5.119 4.556 -0.001 0.000 0.335 472 H C -2.326 173.000 175.328 -0.003 0.000 1.115 472 H CA -1.804 54.242 56.048 -0.003 0.000 1.219 472 H CB 1.573 31.334 29.762 -0.002 0.000 1.471 472 H HN 0.336 nan 8.280 nan 0.000 0.491 473 P HA 0.285 nan 4.420 nan 0.000 0.282 473 P C -1.605 175.579 177.300 -0.194 0.000 1.468 473 P CA -0.656 62.064 63.100 -0.633 0.000 1.017 473 P CB 0.920 32.024 31.700 -0.992 0.000 1.186 474 V N 0.620 120.504 119.914 -0.050 0.000 2.876 474 V HA 0.320 4.439 4.120 -0.001 0.000 0.312 474 V C 1.202 177.294 176.094 -0.003 0.000 1.085 474 V CA -0.583 61.703 62.300 -0.022 0.000 0.945 474 V CB 1.119 32.944 31.823 0.004 0.000 1.017 474 V HN 0.494 nan 8.190 nan 0.000 0.428 475 C N 2.575 121.868 119.300 -0.012 0.000 2.398 475 C HA -0.093 4.366 4.460 -0.001 0.000 0.276 475 C C 3.098 178.004 174.990 -0.140 0.000 1.222 475 C CA 1.938 60.912 59.018 -0.073 0.000 1.746 475 C CB -1.655 26.114 27.740 0.048 0.000 2.039 475 C HN 1.204 nan 8.230 nan 0.000 0.470 476 A N 1.518 124.366 122.820 0.047 0.000 2.042 476 A HA -0.285 4.035 4.320 -0.001 0.000 0.222 476 A C 2.033 179.750 177.584 0.222 0.000 1.167 476 A CA 2.175 54.341 52.037 0.215 0.000 0.649 476 A CB -0.838 18.314 19.000 0.255 0.000 0.809 476 A HN 0.874 nan 8.150 nan 0.000 0.457 477 E N -0.316 119.940 120.200 0.093 0.000 2.331 477 E HA -0.119 4.230 4.350 -0.001 0.000 0.199 477 E C 1.468 178.075 176.600 0.010 0.000 1.008 477 E CA 1.109 57.562 56.400 0.088 0.000 0.843 477 E CB -0.590 29.155 29.700 0.075 0.000 0.761 477 E HN 0.324 nan 8.360 nan 0.000 0.507 478 V N 0.018 119.837 119.914 -0.157 0.000 2.867 478 V HA -0.171 3.948 4.120 -0.001 0.000 0.260 478 V C 1.154 177.051 176.094 -0.328 0.000 1.099 478 V CA 1.343 63.446 62.300 -0.328 0.000 1.122 478 V CB -0.601 30.789 31.823 -0.722 0.000 0.708 478 V HN 0.342 nan 8.190 nan 0.000 0.490 479 F N -0.357 119.493 119.950 -0.167 0.000 2.743 479 F HA 0.060 4.586 4.527 -0.001 0.000 0.297 479 F C 2.387 178.145 175.800 -0.069 0.000 1.131 479 F CA 1.239 59.138 58.000 -0.168 0.000 1.426 479 F CB -0.405 38.406 39.000 -0.316 0.000 1.116 479 F HN 0.047 nan 8.300 nan 0.000 0.583 480 T N -1.080 113.553 114.554 0.131 0.000 2.985 480 T HA -0.082 4.268 4.350 -0.001 0.000 0.266 480 T C 1.417 176.123 174.700 0.011 0.000 1.076 480 T CA 1.771 63.926 62.100 0.092 0.000 1.135 480 T CB -0.225 68.699 68.868 0.093 0.000 0.890 480 T HN 0.260 nan 8.240 nan 0.000 0.480 481 T N 0.149 114.684 114.554 -0.031 0.000 3.448 481 T HA 0.476 4.826 4.350 -0.001 0.000 0.271 481 T C -0.019 174.638 174.700 -0.072 0.000 1.002 481 T CA -0.442 61.627 62.100 -0.051 0.000 0.995 481 T CB -0.603 68.240 68.868 -0.043 0.000 1.153 481 T HN 0.114 nan 8.240 nan 0.000 0.510 482 L N 2.595 123.755 121.223 -0.105 0.000 2.369 482 L HA 0.345 4.684 4.340 -0.001 0.000 0.279 482 L C 1.463 178.296 176.870 -0.062 0.000 1.108 482 L CA -0.320 54.465 54.840 -0.092 0.000 0.852 482 L CB 0.830 42.821 42.059 -0.113 0.000 1.169 482 L HN 0.546 nan 8.230 nan 0.000 0.452 483 S N 1.164 116.894 115.700 0.049 0.000 2.539 483 S HA 0.121 4.591 4.470 -0.001 0.000 0.226 483 S C 0.413 175.160 174.600 0.244 0.000 1.054 483 S CA -0.365 57.904 58.200 0.117 0.000 0.910 483 S CB 0.346 63.584 63.200 0.063 0.000 0.818 483 S HN 0.245 nan 8.310 nan 0.000 0.490 484 V N 4.463 124.509 119.914 0.219 0.000 2.408 484 V HA 0.445 4.564 4.120 -0.001 0.000 0.267 484 V C 0.765 176.992 176.094 0.221 0.000 1.047 484 V CA -0.283 62.141 62.300 0.207 0.000 0.937 484 V CB 0.250 32.173 31.823 0.167 0.000 0.999 484 V HN 0.619 nan 8.190 nan 0.000 0.472 485 T N 1.619 116.200 114.554 0.046 0.000 2.874 485 T HA 0.368 4.718 4.350 -0.001 0.000 0.281 485 T C 0.828 175.458 174.700 -0.116 0.000 0.994 485 T CA -0.624 61.367 62.100 -0.182 0.000 1.015 485 T CB 1.669 70.338 68.868 -0.331 0.000 1.028 485 T HN 0.538 nan 8.240 nan 0.000 0.523 486 K N -0.349 119.890 120.400 -0.267 0.000 2.116 486 K HA 0.069 4.388 4.320 -0.001 0.000 0.203 486 K C 2.560 179.093 176.600 -0.110 0.000 1.052 486 K CA 0.283 56.427 56.287 -0.238 0.000 0.952 486 K CB -0.067 32.223 32.500 -0.350 0.000 0.729 486 K HN 0.560 nan 8.250 nan 0.000 0.446 487 R N 0.861 121.285 120.500 -0.127 0.000 2.120 487 R HA -0.131 4.209 4.340 -0.001 0.000 0.234 487 R C 2.195 178.467 176.300 -0.046 0.000 1.123 487 R CA 1.863 57.915 56.100 -0.081 0.000 0.975 487 R CB -0.119 30.127 30.300 -0.090 0.000 0.866 487 R HN 0.209 nan 8.270 nan 0.000 0.446 488 S N -1.306 114.369 115.700 -0.041 0.000 2.399 488 S HA -0.033 4.436 4.470 -0.001 0.000 0.231 488 S C 1.607 176.215 174.600 0.012 0.000 1.022 488 S CA 1.218 59.413 58.200 -0.009 0.000 0.983 488 S CB -0.137 63.066 63.200 0.006 0.000 0.803 488 S HN 0.602 nan 8.310 nan 0.000 0.480 489 G N 1.015 109.830 108.800 0.026 0.000 2.217 489 G HA2 -0.116 3.844 3.960 -0.001 0.000 0.246 489 G HA3 -0.116 3.844 3.960 -0.001 0.000 0.246 489 G C 0.350 175.285 174.900 0.058 0.000 0.990 489 G CA 0.135 45.259 45.100 0.039 0.000 0.627 489 G HN 1.429 nan 8.290 nan 0.000 0.522 490 A N 0.303 123.162 122.820 0.065 0.000 2.507 490 A HA 0.601 4.920 4.320 -0.001 0.000 0.235 490 A C 0.980 178.615 177.584 0.085 0.000 1.070 490 A CA 1.301 53.378 52.037 0.066 0.000 0.768 490 A CB 0.294 19.335 19.000 0.067 0.000 1.011 490 A HN 1.139 nan 8.150 nan 0.000 0.502 491 S N -0.444 115.292 115.700 0.059 0.000 2.592 491 S HA 0.427 4.896 4.470 -0.001 0.000 0.271 491 S C 0.780 175.411 174.600 0.051 0.000 1.326 491 S CA 0.001 58.232 58.200 0.052 0.000 1.024 491 S CB 0.218 63.432 63.200 0.024 0.000 0.921 491 S HN 0.716 nan 8.310 nan 0.000 0.527 492 I N 0.764 121.366 120.570 0.053 0.000 3.654 492 I HA 0.310 4.479 4.170 -0.001 0.000 0.337 492 I C -0.526 175.652 176.117 0.102 0.000 1.568 492 I CA -0.795 60.542 61.300 0.063 0.000 1.115 492 I CB -0.237 37.741 38.000 -0.036 0.000 1.300 492 I HN 0.271 nan 8.210 nan 0.000 0.471 493 L N -0.275 120.959 121.223 0.017 0.000 2.584 493 L HA 0.347 4.686 4.340 -0.001 0.000 0.272 493 L C 0.668 177.530 176.870 -0.013 0.000 1.195 493 L CA 0.415 55.227 54.840 -0.045 0.000 0.920 493 L CB -0.347 41.684 42.059 -0.047 0.000 1.173 493 L HN 0.351 nan 8.230 nan 0.000 0.489 494 Q N 0.000 119.779 119.800 -0.035 0.000 2.315 494 Q HA 0.000 4.339 4.340 -0.001 0.000 0.214 494 Q CA 0.000 55.811 55.803 0.013 0.000 1.022 494 Q CB 0.000 28.722 28.738 -0.027 0.000 1.108 494 Q HN 0.000 nan 8.270 nan 0.000 0.481