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 2cfy_1_B 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 ASIL 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 0.000 174.346 174.600 -0.423 0.000 1.055 10 S CA 0.000 57.990 58.200 -0.351 0.000 1.107 10 S CB 0.000 62.938 63.200 -0.437 0.000 0.593 11 Y N 2.938 123.226 120.300 -0.020 0.000 2.496 11 Y HA 0.494 5.045 4.550 0.001 0.000 0.331 11 Y C 1.191 177.083 175.900 -0.013 0.000 1.140 11 Y CA -0.734 57.373 58.100 0.011 0.000 1.166 11 Y CB 0.526 39.012 38.460 0.042 0.000 1.249 11 Y HN 0.210 nan 8.280 nan 0.000 0.479 12 D N 0.407 120.922 120.400 0.192 0.000 2.104 12 D HA -0.174 4.467 4.640 0.001 0.000 0.194 12 D C -0.409 175.724 176.300 -0.279 0.000 0.994 12 D CA 2.014 56.004 54.000 -0.018 0.000 0.830 12 D CB 0.006 40.894 40.800 0.147 0.000 0.959 12 D HN 0.416 nan 8.370 nan 0.000 0.452 13 Y N -0.075 120.280 120.300 0.092 0.000 2.570 13 Y HA 0.177 4.728 4.550 0.001 0.000 0.345 13 Y C 1.116 177.010 175.900 -0.010 0.000 1.014 13 Y CA -0.995 57.109 58.100 0.007 0.000 1.063 13 Y CB 1.581 40.005 38.460 -0.060 0.000 1.272 13 Y HN -0.311 nan 8.280 nan 0.000 0.477 14 D N 0.598 121.074 120.400 0.126 0.000 2.123 14 D HA -0.031 4.609 4.640 0.001 0.000 0.200 14 D C -0.328 175.994 176.300 0.038 0.000 0.976 14 D CA 1.549 55.589 54.000 0.067 0.000 0.831 14 D CB 0.461 41.255 40.800 -0.011 0.000 0.974 14 D HN 0.185 nan 8.370 nan 0.000 0.469 15 L N 0.470 121.699 121.223 0.010 0.000 2.436 15 L HA 0.416 4.756 4.340 0.001 0.000 0.268 15 L C -1.530 175.235 176.870 -0.175 0.000 0.974 15 L CA -0.457 54.347 54.840 -0.061 0.000 0.826 15 L CB 2.277 44.369 42.059 0.055 0.000 1.291 15 L HN -0.218 nan 8.230 nan 0.000 0.406 16 I N 5.917 126.281 120.570 -0.344 0.000 2.362 16 I HA 0.423 4.594 4.170 0.001 0.000 0.289 16 I C -0.592 175.482 176.117 -0.072 0.000 0.994 16 I CA -0.440 60.690 61.300 -0.284 0.000 1.158 16 I CB 1.639 39.451 38.000 -0.313 0.000 1.315 16 I HN 0.501 nan 8.210 nan 0.000 0.451 17 I N 7.274 127.806 120.570 -0.064 0.000 2.315 17 I HA 0.318 4.489 4.170 0.001 0.000 0.291 17 I C -0.143 175.966 176.117 -0.013 0.000 1.006 17 I CA -0.363 60.937 61.300 0.001 0.000 1.265 17 I CB 1.054 39.043 38.000 -0.019 0.000 1.387 17 I HN 0.365 nan 8.210 nan 0.000 0.475 18 I N 6.388 126.966 120.570 0.014 0.000 2.291 18 I HA 0.542 4.713 4.170 0.001 0.000 0.290 18 I C 0.547 176.644 176.117 -0.033 0.000 1.050 18 I CA -0.201 61.069 61.300 -0.050 0.000 1.245 18 I CB 0.603 38.541 38.000 -0.102 0.000 1.405 18 I HN 0.825 nan 8.210 nan 0.000 0.478 19 G N 3.638 112.417 108.800 -0.034 0.000 3.233 19 G HA2 0.036 3.996 3.960 0.001 0.000 0.686 19 G HA3 0.036 3.996 3.960 0.001 0.000 0.686 19 G C -0.087 174.799 174.900 -0.024 0.000 1.153 19 G CA -0.549 44.545 45.100 -0.010 0.000 0.853 19 G HN 0.939 nan 8.290 nan 0.000 0.582 20 G N 0.789 109.568 108.800 -0.036 0.000 4.294 20 G HA2 0.688 4.648 3.960 0.001 0.000 0.301 20 G HA3 0.688 4.648 3.960 0.001 0.000 0.301 20 G C 0.822 175.622 174.900 -0.166 0.000 1.321 20 G CA 0.900 45.930 45.100 -0.117 0.000 1.190 20 G HN 1.259 nan 8.290 nan 0.000 0.600 21 G N -0.046 108.692 108.800 -0.103 0.000 2.531 21 G HA2 0.378 4.339 3.960 0.001 0.000 0.281 21 G HA3 0.378 4.339 3.960 0.001 0.000 0.281 21 G C 1.212 176.028 174.900 -0.140 0.000 1.382 21 G CA 0.299 45.337 45.100 -0.103 0.000 1.045 21 G HN 0.173 nan 8.290 nan 0.000 0.533 22 S N -0.246 115.401 115.700 -0.089 0.000 2.369 22 S HA -0.196 4.274 4.470 0.001 0.000 0.225 22 S C 2.511 177.089 174.600 -0.037 0.000 1.043 22 S CA 2.043 60.209 58.200 -0.057 0.000 1.074 22 S CB -0.866 62.333 63.200 -0.001 0.000 0.962 22 S HN 0.827 nan 8.310 nan 0.000 0.433 23 G N 0.890 109.684 108.800 -0.010 0.000 2.433 23 G HA2 -0.033 3.928 3.960 0.001 0.000 0.216 23 G HA3 -0.033 3.928 3.960 0.001 0.000 0.216 23 G C 1.488 176.385 174.900 -0.004 0.000 1.186 23 G CA 0.989 46.094 45.100 0.008 0.000 0.779 23 G HN 0.588 nan 8.290 nan 0.000 0.543 24 G N 0.862 109.650 108.800 -0.020 0.000 2.446 24 G HA2 -0.182 3.779 3.960 0.001 0.000 0.217 24 G HA3 -0.182 3.779 3.960 0.001 0.000 0.217 24 G C 1.823 176.695 174.900 -0.047 0.000 1.168 24 G CA 0.863 45.947 45.100 -0.026 0.000 0.771 24 G HN 0.417 nan 8.290 nan 0.000 0.551 25 L N 0.498 121.665 121.223 -0.092 0.000 2.109 25 L HA 0.028 4.369 4.340 0.001 0.000 0.207 25 L C 3.392 180.247 176.870 -0.026 0.000 1.086 25 L CA 0.798 55.578 54.840 -0.101 0.000 0.760 25 L CB -0.387 41.528 42.059 -0.240 0.000 0.910 25 L HN 0.313 nan 8.230 nan 0.000 0.437 26 A N 0.266 123.080 122.820 -0.010 0.000 1.902 26 A HA -0.157 4.163 4.320 0.001 0.000 0.217 26 A C 2.553 180.150 177.584 0.022 0.000 1.181 26 A CA 1.699 53.747 52.037 0.018 0.000 0.623 26 A CB -0.633 18.379 19.000 0.019 0.000 0.818 26 A HN 0.383 nan 8.150 nan 0.000 0.443 27 A N -0.081 122.751 122.820 0.019 0.000 1.877 27 A HA 0.151 4.472 4.320 0.001 0.000 0.216 27 A C 2.528 180.137 177.584 0.041 0.000 1.186 27 A CA 2.191 54.249 52.037 0.036 0.000 0.620 27 A CB -1.091 17.929 19.000 0.032 0.000 0.822 27 A HN 1.042 nan 8.150 nan 0.000 0.443 28 A N -0.164 122.664 122.820 0.014 0.000 1.865 28 A HA -0.196 4.125 4.320 0.001 0.000 0.217 28 A C 2.114 179.699 177.584 0.003 0.000 1.191 28 A CA 2.067 54.105 52.037 0.001 0.000 0.623 28 A CB -0.544 18.442 19.000 -0.023 0.000 0.826 28 A HN 0.512 nan 8.150 nan 0.000 0.444 29 K N -0.783 119.619 120.400 0.003 0.000 2.063 29 K HA -0.200 4.121 4.320 0.001 0.000 0.208 29 K C 2.158 178.743 176.600 -0.024 0.000 1.048 29 K CA 1.777 58.060 56.287 -0.006 0.000 0.928 29 K CB -0.107 32.399 32.500 0.009 0.000 0.713 29 K HN 0.536 nan 8.250 nan 0.000 0.442 30 E N 0.412 120.617 120.200 0.009 0.000 2.072 30 E HA -0.078 4.272 4.350 0.001 0.000 0.190 30 E C 1.746 178.393 176.600 0.079 0.000 0.982 30 E CA 1.274 57.691 56.400 0.028 0.000 0.803 30 E CB -0.111 29.646 29.700 0.096 0.000 0.755 30 E HN 0.295 nan 8.360 nan 0.000 0.453 31 A N 0.805 123.701 122.820 0.126 0.000 1.902 31 A HA -0.076 4.245 4.320 0.001 0.000 0.217 31 A C 2.423 180.000 177.584 -0.012 0.000 1.181 31 A CA 1.996 54.122 52.037 0.149 0.000 0.623 31 A CB -1.018 18.048 19.000 0.110 0.000 0.818 31 A HN 0.367 nan 8.150 nan 0.000 0.443 32 A N -1.063 121.726 122.820 -0.051 0.000 1.972 32 A HA -0.210 4.111 4.320 0.001 0.000 0.219 32 A C 2.073 179.578 177.584 -0.132 0.000 1.169 32 A CA 1.757 53.746 52.037 -0.079 0.000 0.635 32 A CB -0.526 18.442 19.000 -0.053 0.000 0.810 32 A HN 0.628 nan 8.150 nan 0.000 0.446 33 Q N -1.695 117.968 119.800 -0.228 0.000 2.297 33 Q HA -0.149 4.192 4.340 0.001 0.000 0.208 33 Q C 0.284 175.966 176.000 -0.530 0.000 0.981 33 Q CA 1.365 56.925 55.803 -0.404 0.000 0.876 33 Q CB -0.201 28.204 28.738 -0.555 0.000 0.921 33 Q HN 0.870 nan 8.270 nan 0.000 0.446 34 Y N -1.689 118.590 120.300 -0.035 0.000 2.683 34 Y HA 0.319 4.870 4.550 0.001 0.000 0.297 34 Y C 1.174 177.027 175.900 -0.078 0.000 1.147 34 Y CA -0.084 57.995 58.100 -0.036 0.000 1.274 34 Y CB 0.719 39.180 38.460 0.003 0.000 1.143 34 Y HN 0.120 nan 8.280 nan 0.000 0.527 35 G N 0.378 109.169 108.800 -0.015 0.000 2.153 35 G HA2 -0.264 3.697 3.960 0.001 0.000 0.252 35 G HA3 -0.264 3.697 3.960 0.001 0.000 0.252 35 G C 0.144 175.006 174.900 -0.063 0.000 0.994 35 G CA -0.233 44.850 45.100 -0.029 0.000 0.698 35 G HN 0.151 nan 8.290 nan 0.000 0.521 36 K N 0.253 120.576 120.400 -0.128 0.000 2.144 36 K HA 0.330 4.650 4.320 0.001 0.000 0.270 36 K C 0.457 176.994 176.600 -0.106 0.000 1.005 36 K CA -0.586 55.578 56.287 -0.204 0.000 0.932 36 K CB 1.011 33.192 32.500 -0.530 0.000 1.021 36 K HN 0.058 nan 8.250 nan 0.000 0.462 37 K N 2.571 122.941 120.400 -0.050 0.000 2.310 37 K HA 0.187 4.508 4.320 0.001 0.000 0.290 37 K C -0.640 176.053 176.600 0.154 0.000 1.077 37 K CA -0.225 56.097 56.287 0.057 0.000 0.922 37 K CB 0.442 32.961 32.500 0.031 0.000 1.057 37 K HN 0.256 nan 8.250 nan 0.000 0.479 38 V N 4.757 124.750 119.914 0.132 0.000 2.680 38 V HA 0.484 4.605 4.120 0.001 0.000 0.309 38 V C -0.214 175.813 176.094 -0.111 0.000 1.052 38 V CA -0.981 61.330 62.300 0.018 0.000 0.908 38 V CB 1.967 33.772 31.823 -0.030 0.000 1.001 38 V HN 0.744 nan 8.190 nan 0.000 0.431 39 M N 4.186 123.553 119.600 -0.388 0.000 2.393 39 M HA 0.726 5.206 4.480 0.001 0.000 0.316 39 M C -1.831 174.286 176.300 -0.304 0.000 1.087 39 M CA -0.523 54.460 55.300 -0.528 0.000 0.937 39 M CB 2.012 33.915 32.600 -1.161 0.000 1.668 39 M HN 0.466 nan 8.290 nan 0.000 0.438 40 V N 6.067 125.880 119.914 -0.169 0.000 2.398 40 V HA 0.446 4.567 4.120 0.001 0.000 0.286 40 V C -0.430 175.647 176.094 -0.028 0.000 1.026 40 V CA -0.650 61.605 62.300 -0.074 0.000 0.868 40 V CB 1.550 33.367 31.823 -0.009 0.000 0.982 40 V HN 0.788 nan 8.190 nan 0.000 0.443 41 L N 4.403 125.591 121.223 -0.058 0.000 2.272 41 L HA 0.609 4.950 4.340 0.001 0.000 0.289 41 L C -0.698 176.204 176.870 0.052 0.000 1.032 41 L CA -0.166 54.657 54.840 -0.029 0.000 0.810 41 L CB 1.517 43.514 42.059 -0.104 0.000 1.205 41 L HN 0.641 nan 8.230 nan 0.000 0.422 42 D N 2.667 123.173 120.400 0.177 0.000 2.780 42 D HA 0.597 5.238 4.640 0.001 0.000 0.242 42 D C -1.637 174.820 176.300 0.261 0.000 1.135 42 D CA -0.182 53.925 54.000 0.179 0.000 0.859 42 D CB 2.005 42.890 40.800 0.142 0.000 1.530 42 D HN 0.241 nan 8.370 nan 0.000 0.493 43 F N 3.522 123.501 119.950 0.049 0.000 2.605 43 F HA 0.388 4.915 4.527 0.001 0.000 0.320 43 F C -1.632 174.180 175.800 0.020 0.000 1.159 43 F CA -0.692 57.341 58.000 0.054 0.000 0.999 43 F CB 1.499 40.582 39.000 0.138 0.000 1.258 43 F HN 0.144 nan 8.300 nan 0.000 0.464 44 V N 4.771 124.379 119.914 -0.510 0.000 2.304 44 V HA 0.229 4.349 4.120 0.001 0.000 0.262 44 V C 0.186 175.949 176.094 -0.552 0.000 1.061 44 V CA -0.451 61.545 62.300 -0.507 0.000 0.872 44 V CB 0.771 32.041 31.823 -0.921 0.000 1.077 44 V HN 0.811 nan 8.190 nan 0.000 0.480 45 T N 4.700 119.198 114.554 -0.095 0.000 2.928 45 T HA 0.307 4.658 4.350 0.001 0.000 0.305 45 T C -2.119 172.482 174.700 -0.165 0.000 1.035 45 T CA -1.050 61.060 62.100 0.015 0.000 1.145 45 T CB 0.703 69.659 68.868 0.147 0.000 0.963 45 T HN 0.423 nan 8.240 nan 0.000 0.545 46 P HA 0.255 nan 4.420 nan 0.000 0.274 46 P C 0.189 177.460 177.300 -0.048 0.000 1.237 46 P CA -0.514 62.488 63.100 -0.164 0.000 0.793 46 P CB 0.196 31.836 31.700 -0.100 0.000 0.977 47 T N 3.402 117.962 114.554 0.011 0.000 2.903 47 T HA 0.040 4.390 4.350 0.001 0.000 0.314 47 T C -1.281 173.458 174.700 0.065 0.000 1.078 47 T CA -0.421 61.745 62.100 0.110 0.000 1.114 47 T CB -0.407 68.570 68.868 0.183 0.000 0.987 47 T HN 0.353 nan 8.240 nan 0.000 0.548 48 P HA -0.113 nan 4.420 nan 0.000 0.220 48 P C 1.171 178.478 177.300 0.010 0.000 1.155 48 P CA 1.266 64.359 63.100 -0.011 0.000 0.880 48 P CB 0.008 31.658 31.700 -0.082 0.000 0.790 49 L N -3.224 118.034 121.223 0.057 0.000 2.599 49 L HA 0.214 4.555 4.340 0.001 0.000 0.230 49 L C 1.525 178.434 176.870 0.066 0.000 1.141 49 L CA 0.680 55.559 54.840 0.065 0.000 0.877 49 L CB -0.794 41.325 42.059 0.100 0.000 1.009 49 L HN 0.168 nan 8.230 nan 0.000 0.447 50 G N -0.515 108.316 108.800 0.052 0.000 2.179 50 G HA2 -0.232 3.729 3.960 0.001 0.000 0.220 50 G HA3 -0.232 3.729 3.960 0.001 0.000 0.220 50 G C 0.302 175.225 174.900 0.038 0.000 0.990 50 G CA 0.040 45.160 45.100 0.033 0.000 0.646 50 G HN 0.257 nan 8.290 nan 0.000 0.517 51 T N 1.982 116.587 114.554 0.085 0.000 2.870 51 T HA 0.561 4.912 4.350 0.001 0.000 0.300 51 T C 0.637 175.349 174.700 0.020 0.000 0.989 51 T CA 0.340 62.525 62.100 0.141 0.000 1.139 51 T CB 0.930 69.967 68.868 0.281 0.000 0.920 51 T HN 0.716 nan 8.240 nan 0.000 0.537 52 R N 1.413 121.907 120.500 -0.011 0.000 2.905 52 R HA 0.839 5.180 4.340 0.001 0.000 0.260 52 R C -1.342 174.966 176.300 0.013 0.000 1.086 52 R CA -1.295 54.608 56.100 -0.329 0.000 0.978 52 R CB 1.723 31.847 30.300 -0.294 0.000 1.215 52 R HN 0.750 nan 8.270 nan 0.000 0.480 53 W N -1.475 119.806 121.300 -0.031 0.000 2.937 53 W HA 0.692 5.353 4.660 0.001 0.000 0.360 53 W C -0.738 175.750 176.519 -0.052 0.000 1.215 53 W CA -1.164 56.170 57.345 -0.018 0.000 1.183 53 W CB 0.010 29.475 29.460 0.009 0.000 1.458 53 W HN 0.772 nan 8.180 nan 0.000 0.574 54 G N 0.364 109.313 108.800 0.249 0.000 2.509 54 G HA2 0.471 4.432 3.960 0.001 0.000 0.269 54 G HA3 0.471 4.432 3.960 0.001 0.000 0.269 54 G C -1.036 173.907 174.900 0.071 0.000 1.416 54 G CA -0.936 44.205 45.100 0.067 0.000 1.052 54 G HN 0.739 nan 8.290 nan 0.000 0.542 55 L N -0.398 120.773 121.223 -0.087 0.000 2.473 55 L HA 0.469 4.810 4.340 0.001 0.000 0.268 55 L C 1.472 178.259 176.870 -0.138 0.000 1.215 55 L CA 2.073 56.805 54.840 -0.180 0.000 0.823 55 L CB 1.064 42.873 42.059 -0.416 0.000 1.099 55 L HN 1.267 nan 8.230 nan 0.000 0.483 56 G N 0.749 109.378 108.800 -0.285 0.000 2.284 56 G HA2 0.217 4.178 3.960 0.001 0.000 0.201 56 G HA3 0.217 4.178 3.960 0.001 0.000 0.201 56 G C 0.834 175.608 174.900 -0.210 0.000 0.998 56 G CA 0.111 44.959 45.100 -0.420 0.000 0.651 56 G HN 1.858 nan 8.290 nan 0.000 0.489 57 G N -1.029 107.745 108.800 -0.044 0.000 2.632 57 G HA2 0.043 4.004 3.960 0.001 0.000 0.224 57 G HA3 0.043 4.004 3.960 0.001 0.000 0.224 57 G C 0.853 175.772 174.900 0.032 0.000 1.341 57 G CA 0.853 45.979 45.100 0.044 0.000 0.880 57 G HN 1.208 nan 8.290 nan 0.000 0.566 58 T N -0.389 114.188 114.554 0.038 0.000 2.737 58 T HA -0.162 4.189 4.350 0.001 0.000 0.265 58 T C 2.500 177.157 174.700 -0.073 0.000 1.038 58 T CA 2.611 64.702 62.100 -0.014 0.000 1.144 58 T CB -0.688 68.213 68.868 0.055 0.000 0.866 58 T HN 1.143 nan 8.240 nan 0.000 0.434 59 C N 1.349 120.632 119.300 -0.028 0.000 2.388 59 C HA -0.098 4.363 4.460 0.001 0.000 0.277 59 C C 2.745 177.690 174.990 -0.075 0.000 1.210 59 C CA 0.872 59.873 59.018 -0.029 0.000 1.743 59 C CB -1.254 26.490 27.740 0.006 0.000 2.047 59 C HN 0.373 nan 8.230 nan 0.000 0.458 60 V N 1.903 121.786 119.914 -0.053 0.000 2.295 60 V HA -0.172 3.949 4.120 0.001 0.000 0.246 60 V C 2.338 178.360 176.094 -0.120 0.000 1.049 60 V CA 2.495 64.773 62.300 -0.036 0.000 1.024 60 V CB -0.688 31.167 31.823 0.053 0.000 0.648 60 V HN 0.610 nan 8.190 nan 0.000 0.447 61 N N -1.030 117.545 118.700 -0.208 0.000 2.402 61 N HA 0.054 4.795 4.740 0.001 0.000 0.174 61 N C 0.960 176.200 175.510 -0.450 0.000 1.027 61 N CA 0.894 53.737 53.050 -0.345 0.000 0.891 61 N CB 1.364 39.507 38.487 -0.573 0.000 1.016 61 N HN 0.357 nan 8.380 nan 0.000 0.439 62 V N -0.222 119.427 119.914 -0.441 0.000 3.399 62 V HA 0.339 4.460 4.120 0.001 0.000 0.357 62 V C 0.392 176.424 176.094 -0.105 0.000 1.480 62 V CA 0.053 62.176 62.300 -0.295 0.000 1.263 62 V CB 0.935 32.359 31.823 -0.665 0.000 1.103 62 V HN 0.293 nan 8.190 nan 0.000 0.533 63 G N -0.880 107.775 108.800 -0.242 0.000 3.354 63 G HA2 0.182 4.143 3.960 0.001 0.000 0.174 63 G HA3 0.182 4.143 3.960 0.001 0.000 0.174 63 G C 1.222 176.014 174.900 -0.179 0.000 1.140 63 G CA 0.770 45.809 45.100 -0.102 0.000 0.897 63 G HN 0.155 nan 8.290 nan 0.000 0.685 64 C N 1.043 120.310 119.300 -0.055 0.000 2.398 64 C HA -0.044 4.417 4.460 0.001 0.000 0.276 64 C C 2.745 177.643 174.990 -0.153 0.000 1.222 64 C CA 0.512 59.507 59.018 -0.039 0.000 1.746 64 C CB -1.327 26.426 27.740 0.021 0.000 2.039 64 C HN 0.402 nan 8.230 nan 0.000 0.470 65 I N 2.434 122.904 120.570 -0.167 0.000 2.113 65 I HA -0.087 4.084 4.170 0.001 0.000 0.238 65 I C 0.141 176.091 176.117 -0.279 0.000 1.070 65 I CA 1.685 62.884 61.300 -0.168 0.000 1.332 65 I CB -2.757 35.197 38.000 -0.077 0.000 1.044 65 I HN 0.226 nan 8.210 nan 0.000 0.402 66 P HA -0.164 nan 4.420 nan 0.000 0.219 66 P C 1.656 178.553 177.300 -0.672 0.000 1.150 66 P CA 1.389 64.148 63.100 -0.568 0.000 0.814 66 P CB -0.089 31.133 31.700 -0.797 0.000 0.787 67 K N 1.162 121.125 120.400 -0.728 0.000 2.026 67 K HA -0.177 4.144 4.320 0.001 0.000 0.208 67 K C 2.152 178.625 176.600 -0.210 0.000 1.048 67 K CA 1.718 57.812 56.287 -0.322 0.000 0.929 67 K CB -0.381 32.075 32.500 -0.073 0.000 0.713 67 K HN -0.063 nan 8.250 nan 0.000 0.439 68 K N 0.833 121.079 120.400 -0.255 0.000 2.097 68 K HA -0.015 4.306 4.320 0.001 0.000 0.205 68 K C 2.257 178.707 176.600 -0.249 0.000 1.050 68 K CA 0.803 56.912 56.287 -0.296 0.000 0.938 68 K CB -0.137 32.097 32.500 -0.442 0.000 0.718 68 K HN 0.115 nan 8.250 nan 0.000 0.442 69 L N 0.074 121.125 121.223 -0.288 0.000 2.046 69 L HA -0.167 4.174 4.340 0.001 0.000 0.208 69 L C 2.473 179.160 176.870 -0.305 0.000 1.077 69 L CA 1.445 56.117 54.840 -0.279 0.000 0.747 69 L CB -0.288 41.606 42.059 -0.275 0.000 0.896 69 L HN 0.302 nan 8.230 nan 0.000 0.432 70 M N -1.691 117.647 119.600 -0.436 0.000 2.254 70 M HA -0.186 4.295 4.480 0.001 0.000 0.265 70 M C 2.294 178.327 176.300 -0.445 0.000 1.066 70 M CA 1.173 56.104 55.300 -0.615 0.000 1.123 70 M CB -0.559 31.313 32.600 -1.213 0.000 1.388 70 M HN 0.256 nan 8.290 nan 0.000 0.425 71 H N 0.658 119.507 119.070 -0.368 0.000 2.352 71 H HA -0.215 4.342 4.556 0.001 0.000 0.299 71 H C 2.007 177.303 175.328 -0.053 0.000 1.097 71 H CA 2.254 58.279 56.048 -0.038 0.000 1.311 71 H CB -0.123 29.659 29.762 0.033 0.000 1.377 71 H HN 0.280 nan 8.280 nan 0.000 0.504 72 Q N 0.380 120.021 119.800 -0.265 0.000 2.084 72 Q HA -0.037 4.304 4.340 0.001 0.000 0.202 72 Q C 2.411 178.299 176.000 -0.187 0.000 0.978 72 Q CA 1.860 57.504 55.803 -0.266 0.000 0.844 72 Q CB -0.748 27.862 28.738 -0.213 0.000 0.898 72 Q HN 0.546 nan 8.270 nan 0.000 0.426 73 A N 0.384 123.106 122.820 -0.163 0.000 1.908 73 A HA -0.129 4.192 4.320 0.001 0.000 0.218 73 A C 2.302 179.834 177.584 -0.086 0.000 1.181 73 A CA 2.109 54.083 52.037 -0.105 0.000 0.627 73 A CB -1.259 17.679 19.000 -0.103 0.000 0.818 73 A HN 0.548 nan 8.150 nan 0.000 0.445 74 A N -0.357 122.423 122.820 -0.066 0.000 1.877 74 A HA -0.026 4.294 4.320 0.001 0.000 0.216 74 A C 2.180 179.739 177.584 -0.043 0.000 1.186 74 A CA 1.460 53.494 52.037 -0.005 0.000 0.620 74 A CB -0.653 18.424 19.000 0.128 0.000 0.822 74 A HN 0.469 nan 8.150 nan 0.000 0.443 75 L N -0.549 120.599 121.223 -0.125 0.000 2.042 75 L HA -0.209 4.132 4.340 0.001 0.000 0.210 75 L C 2.537 179.364 176.870 -0.072 0.000 1.076 75 L CA 1.158 55.928 54.840 -0.117 0.000 0.749 75 L CB -0.512 41.426 42.059 -0.201 0.000 0.893 75 L HN 0.390 nan 8.230 nan 0.000 0.432 76 L N -0.803 120.372 121.223 -0.079 0.000 2.141 76 L HA -0.115 4.226 4.340 0.001 0.000 0.209 76 L C 2.668 179.519 176.870 -0.032 0.000 1.094 76 L CA 1.070 55.874 54.840 -0.059 0.000 0.763 76 L CB -1.123 40.897 42.059 -0.065 0.000 0.908 76 L HN 0.323 nan 8.230 nan 0.000 0.437 77 G N -0.410 108.379 108.800 -0.018 0.000 2.476 77 G HA2 -0.374 3.587 3.960 0.001 0.000 0.218 77 G HA3 -0.374 3.587 3.960 0.001 0.000 0.218 77 G C 1.505 176.404 174.900 -0.002 0.000 1.164 77 G CA 0.929 46.031 45.100 0.003 0.000 0.768 77 G HN 0.292 nan 8.290 nan 0.000 0.560 78 Q N 0.652 120.443 119.800 -0.014 0.000 2.084 78 Q HA 0.131 4.471 4.340 0.001 0.000 0.202 78 Q C 2.689 178.683 176.000 -0.009 0.000 0.978 78 Q CA 1.888 57.678 55.803 -0.022 0.000 0.844 78 Q CB -0.642 28.067 28.738 -0.049 0.000 0.898 78 Q HN 0.383 nan 8.270 nan 0.000 0.426 79 A N 0.201 123.013 122.820 -0.014 0.000 1.940 79 A HA -0.159 4.161 4.320 0.001 0.000 0.219 79 A C 2.077 179.653 177.584 -0.013 0.000 1.176 79 A CA 1.503 53.531 52.037 -0.015 0.000 0.631 79 A CB -0.818 18.152 19.000 -0.049 0.000 0.814 79 A HN 0.466 nan 8.150 nan 0.000 0.446 80 L N -1.189 120.024 121.223 -0.017 0.000 2.042 80 L HA -0.276 4.065 4.340 0.001 0.000 0.210 80 L C 2.900 179.792 176.870 0.037 0.000 1.076 80 L CA 1.804 56.642 54.840 -0.005 0.000 0.749 80 L CB -0.688 41.371 42.059 0.001 0.000 0.893 80 L HN 0.479 nan 8.230 nan 0.000 0.432 81 Q N -0.192 119.630 119.800 0.038 0.000 2.046 81 Q HA -0.204 4.137 4.340 0.001 0.000 0.200 81 Q C 1.932 177.983 176.000 0.085 0.000 0.975 81 Q CA 1.594 57.429 55.803 0.053 0.000 0.836 81 Q CB -0.044 28.713 28.738 0.033 0.000 0.896 81 Q HN 0.408 nan 8.270 nan 0.000 0.428 82 D N -0.054 120.403 120.400 0.096 0.000 2.158 82 D HA -0.161 4.480 4.640 0.001 0.000 0.197 82 D C 2.077 178.559 176.300 0.304 0.000 0.995 82 D CA 1.671 55.781 54.000 0.184 0.000 0.846 82 D CB -0.330 40.590 40.800 0.200 0.000 0.941 82 D HN 0.262 nan 8.370 nan 0.000 0.456 83 S N 0.278 116.119 115.700 0.235 0.000 2.399 83 S HA -0.154 4.317 4.470 0.001 0.000 0.231 83 S C 1.921 176.763 174.600 0.402 0.000 1.022 83 S CA 0.596 58.993 58.200 0.327 0.000 0.983 83 S CB -0.236 63.022 63.200 0.097 0.000 0.803 83 S HN 0.193 nan 8.310 nan 0.000 0.480 84 R N 1.572 122.222 120.500 0.250 0.000 2.083 84 R HA -0.037 4.304 4.340 0.001 0.000 0.237 84 R C 1.911 178.302 176.300 0.151 0.000 1.137 84 R CA 1.804 58.019 56.100 0.192 0.000 0.951 84 R CB -0.546 29.826 30.300 0.120 0.000 0.851 84 R HN 0.436 nan 8.270 nan 0.000 0.434 85 N N -0.411 118.352 118.700 0.105 0.000 2.396 85 N HA -0.113 4.628 4.740 0.001 0.000 0.180 85 N C 0.957 176.429 175.510 -0.063 0.000 1.028 85 N CA 0.952 53.995 53.050 -0.012 0.000 0.893 85 N CB -0.099 38.334 38.487 -0.091 0.000 0.967 85 N HN 0.270 nan 8.380 nan 0.000 0.440 86 Y N -0.584 119.785 120.300 0.115 0.000 2.578 86 Y HA 0.198 4.749 4.550 0.001 0.000 0.297 86 Y C 1.769 177.678 175.900 0.015 0.000 1.176 86 Y CA 0.583 58.748 58.100 0.109 0.000 1.315 86 Y CB 0.077 38.666 38.460 0.214 0.000 1.031 86 Y HN 0.136 nan 8.280 nan 0.000 0.524 87 G N -2.320 106.550 108.800 0.116 0.000 2.192 87 G HA2 -0.222 3.738 3.960 0.001 0.000 0.193 87 G HA3 -0.222 3.738 3.960 0.001 0.000 0.193 87 G C -0.325 174.484 174.900 -0.152 0.000 0.999 87 G CA -0.700 44.356 45.100 -0.073 0.000 0.659 87 G HN 0.206 nan 8.290 nan 0.000 0.503 88 W N 2.053 123.398 121.300 0.075 0.000 2.287 88 W HA 0.642 5.302 4.660 0.001 0.000 0.313 88 W C 0.525 177.069 176.519 0.042 0.000 1.267 88 W CA -0.668 56.708 57.345 0.052 0.000 1.201 88 W CB 0.820 30.311 29.460 0.052 0.000 1.196 88 W HN -0.227 nan 8.180 nan 0.000 0.536 89 K N 4.063 124.608 120.400 0.241 0.000 2.180 89 K HA 0.261 4.582 4.320 0.001 0.000 0.250 89 K C -0.673 176.017 176.600 0.150 0.000 1.135 89 K CA -0.312 56.062 56.287 0.145 0.000 1.037 89 K CB -0.164 32.389 32.500 0.088 0.000 1.624 89 K HN 0.226 nan 8.250 nan 0.000 0.382 90 V N 1.007 121.007 119.914 0.142 0.000 2.547 90 V HA 0.270 4.391 4.120 0.001 0.000 0.299 90 V C 0.754 176.893 176.094 0.074 0.000 1.040 90 V CA -1.107 61.255 62.300 0.105 0.000 0.913 90 V CB 1.308 33.191 31.823 0.100 0.000 0.992 90 V HN 0.677 nan 8.190 nan 0.000 0.449 91 E N 1.053 121.288 120.200 0.058 0.000 2.502 91 E HA 0.044 4.395 4.350 0.001 0.000 0.261 91 E C 1.294 177.921 176.600 0.045 0.000 0.974 91 E CA 0.745 57.173 56.400 0.046 0.000 0.936 91 E CB 0.305 30.028 29.700 0.039 0.000 0.926 91 E HN 0.851 nan 8.360 nan 0.000 0.459 92 E N 1.311 121.536 120.200 0.041 0.000 2.097 92 E HA -0.113 4.238 4.350 0.001 0.000 0.196 92 E C 0.654 177.277 176.600 0.039 0.000 1.000 92 E CA 1.860 58.284 56.400 0.039 0.000 0.804 92 E CB -0.144 29.576 29.700 0.033 0.000 0.740 92 E HN 0.816 nan 8.360 nan 0.000 0.454 93 T N 0.330 114.906 114.554 0.037 0.000 2.812 93 T HA 0.599 4.950 4.350 0.001 0.000 0.282 93 T C -0.730 173.995 174.700 0.042 0.000 0.990 93 T CA -0.611 61.512 62.100 0.039 0.000 0.960 93 T CB 1.805 70.695 68.868 0.037 0.000 0.948 93 T HN 0.084 nan 8.240 nan 0.000 0.438 94 V N 3.079 123.021 119.914 0.047 0.000 2.435 94 V HA 0.417 4.538 4.120 0.001 0.000 0.290 94 V C 0.503 176.637 176.094 0.068 0.000 1.030 94 V CA -0.934 61.396 62.300 0.050 0.000 0.881 94 V CB 1.387 33.237 31.823 0.045 0.000 0.983 94 V HN 0.749 nan 8.190 nan 0.000 0.445 95 K N 2.536 122.976 120.400 0.067 0.000 2.126 95 K HA 0.368 4.689 4.320 0.001 0.000 0.257 95 K C -0.294 176.380 176.600 0.123 0.000 1.007 95 K CA -0.652 55.690 56.287 0.092 0.000 0.928 95 K CB 1.158 33.700 32.500 0.069 0.000 1.013 95 K HN 0.843 nan 8.250 nan 0.000 0.473 96 H N 0.714 119.823 119.070 0.064 0.000 2.524 96 H HA 0.334 4.891 4.556 0.002 0.000 0.353 96 H C -1.483 173.907 175.328 0.104 0.000 1.136 96 H CA -0.562 55.531 56.048 0.075 0.000 1.193 96 H CB 1.900 31.719 29.762 0.095 0.000 1.558 96 H HN 0.610 nan 8.280 nan 0.000 0.515 97 D N 4.646 124.702 120.400 -0.573 0.000 2.414 97 D HA 0.000 4.641 4.640 0.001 0.000 0.232 97 D C 0.989 177.169 176.300 -0.201 0.000 1.070 97 D CA -0.566 53.295 54.000 -0.231 0.000 0.839 97 D CB 0.322 41.023 40.800 -0.165 0.000 1.079 97 D HN 0.588 nan 8.370 nan 0.000 0.521 98 W N 4.205 125.516 121.300 0.018 0.000 2.333 98 W HA -0.199 4.461 4.660 0.001 0.000 0.316 98 W C 0.553 177.108 176.519 0.060 0.000 1.215 98 W CA 1.236 58.667 57.345 0.142 0.000 1.278 98 W CB 0.133 29.688 29.460 0.157 0.000 1.154 98 W HN 0.428 nan 8.180 nan 0.000 0.486 99 D N -0.159 120.356 120.400 0.193 0.000 2.123 99 D HA -0.209 4.432 4.640 0.001 0.000 0.196 99 D C 2.234 178.497 176.300 -0.062 0.000 0.992 99 D CA 1.341 55.391 54.000 0.083 0.000 0.833 99 D CB -0.579 40.310 40.800 0.148 0.000 0.954 99 D HN 0.221 nan 8.370 nan 0.000 0.455 100 R N 0.218 120.670 120.500 -0.080 0.000 2.096 100 R HA -0.065 4.276 4.340 0.001 0.000 0.235 100 R C 2.295 178.503 176.300 -0.154 0.000 1.127 100 R CA 0.740 56.776 56.100 -0.107 0.000 0.968 100 R CB -0.291 29.942 30.300 -0.113 0.000 0.861 100 R HN 0.196 nan 8.270 nan 0.000 0.440 101 M N 0.356 119.825 119.600 -0.218 0.000 2.086 101 M HA -0.194 4.287 4.480 0.001 0.000 0.261 101 M C 1.773 177.905 176.300 -0.281 0.000 1.067 101 M CA 1.562 56.725 55.300 -0.228 0.000 1.116 101 M CB -0.000 32.482 32.600 -0.196 0.000 1.348 101 M HN 0.077 nan 8.290 nan 0.000 0.407 102 I N 0.260 120.594 120.570 -0.394 0.000 2.226 102 I HA -0.239 3.932 4.170 0.001 0.000 0.245 102 I C 2.530 178.564 176.117 -0.139 0.000 1.100 102 I CA 1.527 62.645 61.300 -0.303 0.000 1.374 102 I CB -1.872 35.945 38.000 -0.305 0.000 1.057 102 I HN 0.394 nan 8.210 nan 0.000 0.413 103 E N 0.902 121.040 120.200 -0.104 0.000 2.070 103 E HA -0.232 4.119 4.350 0.001 0.000 0.197 103 E C 2.391 178.963 176.600 -0.048 0.000 1.004 103 E CA 1.447 57.817 56.400 -0.049 0.000 0.805 103 E CB -0.386 29.293 29.700 -0.036 0.000 0.744 103 E HN 0.612 nan 8.360 nan 0.000 0.451 104 A N -0.147 122.628 122.820 -0.074 0.000 1.898 104 A HA -0.056 4.265 4.320 0.001 0.000 0.216 104 A C 2.581 180.135 177.584 -0.049 0.000 1.181 104 A CA 1.641 53.640 52.037 -0.062 0.000 0.620 104 A CB -0.718 18.230 19.000 -0.086 0.000 0.819 104 A HN 0.402 nan 8.150 nan 0.000 0.442 105 V N 0.006 119.870 119.914 -0.083 0.000 2.295 105 V HA -0.247 3.874 4.120 0.001 0.000 0.246 105 V C 2.730 178.819 176.094 -0.008 0.000 1.049 105 V CA 2.014 64.273 62.300 -0.069 0.000 1.024 105 V CB -0.716 31.029 31.823 -0.130 0.000 0.648 105 V HN 0.530 nan 8.190 nan 0.000 0.447 106 Q N -0.123 119.670 119.800 -0.013 0.000 2.170 106 Q HA -0.211 4.130 4.340 0.001 0.000 0.203 106 Q C 2.115 178.137 176.000 0.036 0.000 0.976 106 Q CA 1.939 57.754 55.803 0.020 0.000 0.858 106 Q CB -0.730 28.025 28.738 0.029 0.000 0.907 106 Q HN 0.789 nan 8.270 nan 0.000 0.433 107 N N -0.014 118.704 118.700 0.030 0.000 2.084 107 N HA -0.211 4.529 4.740 0.001 0.000 0.190 107 N C 1.755 177.297 175.510 0.053 0.000 1.030 107 N CA 1.524 54.596 53.050 0.036 0.000 0.849 107 N CB -0.145 38.355 38.487 0.021 0.000 1.012 107 N HN 0.250 nan 8.380 nan 0.000 0.423 108 H N -0.076 118.974 119.070 -0.034 0.000 2.353 108 H HA 0.050 4.607 4.556 0.001 0.000 0.300 108 H C 1.886 177.202 175.328 -0.021 0.000 1.090 108 H CA 1.915 57.940 56.048 -0.039 0.000 1.327 108 H CB -0.276 29.445 29.762 -0.069 0.000 1.383 108 H HN 0.288 nan 8.280 nan 0.000 0.508 109 I N -0.249 120.300 120.570 -0.036 0.000 2.208 109 I HA -0.238 3.933 4.170 0.001 0.000 0.245 109 I C 2.746 178.842 176.117 -0.036 0.000 1.097 109 I CA 1.328 62.587 61.300 -0.067 0.000 1.363 109 I CB -0.676 37.313 38.000 -0.018 0.000 1.051 109 I HN 0.462 nan 8.210 nan 0.000 0.413 110 G N 0.534 109.352 108.800 0.030 0.000 2.442 110 G HA2 -0.314 3.646 3.960 0.001 0.000 0.219 110 G HA3 -0.314 3.646 3.960 0.001 0.000 0.219 110 G C 1.790 176.779 174.900 0.149 0.000 1.141 110 G CA 1.216 46.393 45.100 0.127 0.000 0.763 110 G HN 0.527 nan 8.290 nan 0.000 0.554 111 S N 0.214 115.915 115.700 0.002 0.000 2.428 111 S HA 0.087 4.558 4.470 0.001 0.000 0.230 111 S C 2.320 176.870 174.600 -0.082 0.000 1.014 111 S CA 0.876 59.061 58.200 -0.025 0.000 0.957 111 S CB -0.264 62.875 63.200 -0.101 0.000 0.784 111 S HN 0.301 nan 8.310 nan 0.000 0.499 112 L N 1.389 122.500 121.223 -0.187 0.000 2.072 112 L HA -0.045 4.296 4.340 0.001 0.000 0.205 112 L C 2.623 179.468 176.870 -0.042 0.000 1.079 112 L CA 1.075 55.795 54.840 -0.200 0.000 0.752 112 L CB -0.821 41.123 42.059 -0.193 0.000 0.906 112 L HN 0.261 nan 8.230 nan 0.000 0.436 113 N N -0.269 118.454 118.700 0.039 0.000 2.037 113 N HA -0.239 4.502 4.740 0.001 0.000 0.196 113 N C 1.540 176.993 175.510 -0.096 0.000 1.034 113 N CA 1.733 54.785 53.050 0.004 0.000 0.861 113 N CB -0.477 37.981 38.487 -0.048 0.000 1.039 113 N HN 0.353 nan 8.380 nan 0.000 0.427 114 W N 0.973 122.266 121.300 -0.012 0.000 2.453 114 W HA 0.156 4.817 4.660 0.002 0.000 0.289 114 W C 2.517 179.005 176.519 -0.052 0.000 1.215 114 W CA 0.942 58.277 57.345 -0.017 0.000 1.297 114 W CB -0.862 28.587 29.460 -0.019 0.000 1.113 114 W HN 0.101 nan 8.180 nan 0.000 0.551 115 G N -0.008 108.822 108.800 0.050 0.000 2.513 115 G HA2 -0.358 3.603 3.960 0.001 0.000 0.219 115 G HA3 -0.358 3.603 3.960 0.001 0.000 0.219 115 G C 1.155 175.964 174.900 -0.153 0.000 1.160 115 G CA 1.469 46.502 45.100 -0.113 0.000 0.767 115 G HN 0.235 nan 8.290 nan 0.000 0.571 116 Y N 0.686 120.939 120.300 -0.078 0.000 2.163 116 Y HA 0.011 4.562 4.550 0.001 0.000 0.288 116 Y C 3.094 178.902 175.900 -0.154 0.000 1.136 116 Y CA 1.216 59.238 58.100 -0.129 0.000 1.147 116 Y CB -0.316 38.032 38.460 -0.186 0.000 0.987 116 Y HN 0.027 nan 8.280 nan 0.000 0.509 117 R N -0.456 120.023 120.500 -0.035 0.000 2.103 117 R HA -0.164 4.176 4.340 0.001 0.000 0.242 117 R C 2.187 178.513 176.300 0.042 0.000 1.142 117 R CA 1.755 57.800 56.100 -0.091 0.000 0.960 117 R CB -1.021 29.136 30.300 -0.238 0.000 0.858 117 R HN 0.245 nan 8.270 nan 0.000 0.439 118 V N 0.937 120.906 119.914 0.091 0.000 2.358 118 V HA -0.205 3.916 4.120 0.001 0.000 0.246 118 V C 2.537 178.658 176.094 0.046 0.000 1.047 118 V CA 1.749 64.104 62.300 0.091 0.000 1.035 118 V CB -0.711 31.169 31.823 0.096 0.000 0.658 118 V HN 0.379 nan 8.190 nan 0.000 0.452 119 A N 0.047 122.880 122.820 0.023 0.000 1.892 119 A HA -0.221 4.100 4.320 0.001 0.000 0.218 119 A C 2.194 179.792 177.584 0.023 0.000 1.188 119 A CA 2.127 54.171 52.037 0.012 0.000 0.631 119 A CB -0.626 18.380 19.000 0.009 0.000 0.822 119 A HN 0.512 nan 8.150 nan 0.000 0.447 120 L N -1.247 119.994 121.223 0.029 0.000 2.056 120 L HA -0.175 4.165 4.340 0.001 0.000 0.207 120 L C 2.936 179.828 176.870 0.037 0.000 1.078 120 L CA 1.482 56.336 54.840 0.024 0.000 0.749 120 L CB -0.723 41.340 42.059 0.007 0.000 0.901 120 L HN 0.486 nan 8.230 nan 0.000 0.433 121 R N 0.303 120.835 120.500 0.053 0.000 2.083 121 R HA -0.150 4.191 4.340 0.001 0.000 0.237 121 R C 2.119 178.442 176.300 0.039 0.000 1.137 121 R CA 1.729 57.864 56.100 0.059 0.000 0.951 121 R CB -0.769 29.578 30.300 0.078 0.000 0.851 121 R HN 0.517 nan 8.270 nan 0.000 0.434 122 E N 0.515 120.733 120.200 0.030 0.000 2.110 122 E HA -0.128 4.223 4.350 0.001 0.000 0.193 122 E C 1.726 178.329 176.600 0.005 0.000 0.988 122 E CA 1.325 57.734 56.400 0.015 0.000 0.804 122 E CB -0.164 29.540 29.700 0.007 0.000 0.745 122 E HN 0.527 nan 8.360 nan 0.000 0.458 123 K N 0.645 121.047 120.400 0.003 0.000 2.437 123 K HA 0.095 4.416 4.320 0.001 0.000 0.198 123 K C -0.110 176.488 176.600 -0.004 0.000 1.024 123 K CA -0.089 56.192 56.287 -0.011 0.000 1.148 123 K CB 0.287 32.775 32.500 -0.020 0.000 0.860 123 K HN -0.016 nan 8.250 nan 0.000 0.515 124 K N 0.509 120.916 120.400 0.012 0.000 3.125 124 K HA -0.139 4.182 4.320 0.001 0.000 0.268 124 K C -0.891 175.728 176.600 0.032 0.000 1.078 124 K CA 0.223 56.524 56.287 0.023 0.000 0.775 124 K CB -1.699 30.809 32.500 0.013 0.000 1.253 124 K HN -0.012 nan 8.250 nan 0.000 0.486 125 V N 1.517 121.451 119.914 0.032 0.000 2.370 125 V HA 0.201 4.322 4.120 0.001 0.000 0.283 125 V C 0.633 176.754 176.094 0.045 0.000 1.023 125 V CA -0.891 61.426 62.300 0.029 0.000 0.857 125 V CB 1.831 33.659 31.823 0.008 0.000 0.985 125 V HN 0.060 nan 8.190 nan 0.000 0.443 126 V N 5.986 125.922 119.914 0.037 0.000 2.479 126 V HA 0.099 4.220 4.120 0.001 0.000 0.281 126 V C -0.359 175.738 176.094 0.005 0.000 1.031 126 V CA -0.123 62.192 62.300 0.024 0.000 1.038 126 V CB 0.337 32.177 31.823 0.028 0.000 0.981 126 V HN 0.746 nan 8.190 nan 0.000 0.478 127 Y N 5.226 125.478 120.300 -0.081 0.000 2.331 127 Y HA 0.585 5.136 4.550 0.001 0.000 0.338 127 Y C -0.127 175.723 175.900 -0.084 0.000 0.992 127 Y CA -1.293 56.750 58.100 -0.096 0.000 1.121 127 Y CB 1.246 39.661 38.460 -0.075 0.000 1.184 127 Y HN 0.584 nan 8.280 nan 0.000 0.469 128 E N 5.475 125.387 120.200 -0.480 0.000 2.185 128 E HA 0.111 4.462 4.350 0.001 0.000 0.261 128 E C -0.916 175.379 176.600 -0.508 0.000 0.879 128 E CA -0.485 55.614 56.400 -0.502 0.000 0.756 128 E CB 1.218 30.753 29.700 -0.275 0.000 1.152 128 E HN 0.849 nan 8.360 nan 0.000 0.416 129 N N 2.466 120.817 118.700 -0.582 0.000 2.971 129 N HA 0.212 4.952 4.740 0.001 0.000 0.294 129 N C -1.044 174.533 175.510 0.112 0.000 1.210 129 N CA 0.038 52.984 53.050 -0.173 0.000 1.157 129 N CB 0.098 38.498 38.487 -0.145 0.000 1.450 129 N HN 0.353 nan 8.380 nan 0.000 0.527 130 A N 2.248 125.150 122.820 0.136 0.000 2.556 130 A HA 0.283 4.603 4.320 0.001 0.000 0.294 130 A C -1.727 175.905 177.584 0.081 0.000 1.091 130 A CA -0.639 51.468 52.037 0.117 0.000 0.704 130 A CB 0.898 19.921 19.000 0.039 0.000 1.300 130 A HN 0.558 nan 8.150 nan 0.000 0.406 131 Y N 1.398 121.515 120.300 -0.306 0.000 2.404 131 Y HA 0.472 5.023 4.550 0.001 0.000 0.344 131 Y C 0.844 176.646 175.900 -0.164 0.000 0.995 131 Y CA 0.460 58.384 58.100 -0.293 0.000 1.201 131 Y CB 0.691 38.785 38.460 -0.610 0.000 1.151 131 Y HN 0.806 nan 8.280 nan 0.000 0.517 132 G N 4.917 113.434 108.800 -0.471 0.000 2.420 132 G HA2 0.450 4.411 3.960 0.001 0.000 0.284 132 G HA3 0.450 4.411 3.960 0.001 0.000 0.284 132 G C -1.382 173.261 174.900 -0.429 0.000 1.177 132 G CA -0.530 44.353 45.100 -0.363 0.000 0.841 132 G HN 0.662 nan 8.290 nan 0.000 0.527 133 Q N 0.449 120.081 119.800 -0.280 0.000 2.313 133 Q HA 0.207 4.548 4.340 0.001 0.000 0.255 133 Q C -1.303 174.592 176.000 -0.175 0.000 0.944 133 Q CA -0.651 55.050 55.803 -0.170 0.000 0.881 133 Q CB 1.771 30.517 28.738 0.013 0.000 1.375 133 Q HN 0.483 nan 8.270 nan 0.000 0.422 134 F N 3.447 123.346 119.950 -0.085 0.000 2.563 134 F HA 0.054 4.582 4.527 0.002 0.000 0.363 134 F C 1.575 177.347 175.800 -0.047 0.000 1.123 134 F CA 0.477 58.411 58.000 -0.110 0.000 1.307 134 F CB 0.487 39.388 39.000 -0.165 0.000 1.115 134 F HN 0.570 nan 8.300 nan 0.000 0.592 135 I N -0.692 119.980 120.570 0.170 0.000 4.139 135 I HA 0.629 4.800 4.170 0.001 0.000 0.320 135 I C 0.743 176.923 176.117 0.105 0.000 1.290 135 I CA 0.197 61.564 61.300 0.112 0.000 1.253 135 I CB 0.360 38.409 38.000 0.081 0.000 1.122 135 I HN 0.545 nan 8.210 nan 0.000 0.421 136 G N 0.849 109.727 108.800 0.131 0.000 2.349 136 G HA2 0.363 4.323 3.960 0.001 0.000 0.294 136 G HA3 0.363 4.323 3.960 0.001 0.000 0.294 136 G C -3.250 171.728 174.900 0.131 0.000 1.380 136 G CA -0.943 44.218 45.100 0.102 0.000 0.811 136 G HN -0.238 nan 8.290 nan 0.000 0.519 137 P HA 0.099 nan 4.420 nan 0.000 0.258 137 P C 0.189 177.657 177.300 0.281 0.000 1.172 137 P CA 0.855 64.069 63.100 0.190 0.000 0.762 137 P CB -0.131 31.695 31.700 0.210 0.000 0.764 138 H N -0.071 119.092 119.070 0.154 0.000 3.179 138 H HA -0.204 4.353 4.556 0.001 0.000 0.250 138 H C 0.141 175.731 175.328 0.437 0.000 1.142 138 H CA 1.006 57.211 56.048 0.261 0.000 1.165 138 H CB -0.857 28.937 29.762 0.053 0.000 1.253 138 H HN 0.555 nan 8.280 nan 0.000 0.325 139 R N 0.119 120.849 120.500 0.382 0.000 2.686 139 R HA 0.763 5.104 4.340 0.001 0.000 0.286 139 R C -0.401 176.039 176.300 0.232 0.000 0.969 139 R CA -0.681 55.623 56.100 0.340 0.000 0.898 139 R CB 2.814 33.261 30.300 0.245 0.000 1.183 139 R HN 0.114 nan 8.270 nan 0.000 0.456 140 I N 1.784 122.480 120.570 0.210 0.000 2.722 140 I HA 0.329 4.499 4.170 0.001 0.000 0.295 140 I C -1.308 174.872 176.117 0.105 0.000 1.161 140 I CA -0.819 60.506 61.300 0.042 0.000 1.032 140 I CB 2.031 39.981 38.000 -0.084 0.000 1.244 140 I HN 0.586 nan 8.210 nan 0.000 0.421 141 K N 6.915 127.337 120.400 0.036 0.000 2.182 141 K HA 0.836 5.157 4.320 0.001 0.000 0.262 141 K C -1.525 175.107 176.600 0.053 0.000 0.957 141 K CA -0.535 55.782 56.287 0.051 0.000 0.842 141 K CB 1.957 34.473 32.500 0.026 0.000 1.099 141 K HN 0.565 nan 8.250 nan 0.000 0.438 142 A N 3.035 125.920 122.820 0.109 0.000 2.304 142 A HA 0.415 4.736 4.320 0.001 0.000 0.314 142 A C -0.898 176.719 177.584 0.055 0.000 1.187 142 A CA -0.722 51.378 52.037 0.106 0.000 0.810 142 A CB 1.314 20.465 19.000 0.253 0.000 1.183 142 A HN 0.724 nan 8.150 nan 0.000 0.487 143 T N 3.562 118.114 114.554 -0.004 0.000 2.756 143 T HA 0.381 4.732 4.350 0.001 0.000 0.290 143 T C 0.447 175.072 174.700 -0.125 0.000 0.985 143 T CA -0.603 61.460 62.100 -0.062 0.000 0.955 143 T CB 0.478 69.283 68.868 -0.106 0.000 0.930 143 T HN 0.888 nan 8.240 nan 0.000 0.451 144 N N 2.876 121.550 118.700 -0.043 0.000 2.366 144 N HA 0.115 4.856 4.740 0.001 0.000 0.277 144 N C 1.134 176.676 175.510 0.054 0.000 1.275 144 N CA -0.708 52.355 53.050 0.022 0.000 0.964 144 N CB 0.233 38.751 38.487 0.052 0.000 1.167 144 N HN 0.446 nan 8.380 nan 0.000 0.568 145 N N -0.929 117.897 118.700 0.210 0.000 2.084 145 N HA -0.238 4.503 4.740 0.001 0.000 0.190 145 N C 1.226 176.800 175.510 0.107 0.000 1.030 145 N CA 2.181 55.381 53.050 0.250 0.000 0.849 145 N CB -0.236 38.377 38.487 0.209 0.000 1.012 145 N HN 0.727 nan 8.380 nan 0.000 0.423 146 K N 0.588 121.028 120.400 0.066 0.000 2.555 146 K HA 0.111 4.432 4.320 0.001 0.000 0.193 146 K C 1.325 177.934 176.600 0.016 0.000 1.032 146 K CA 1.090 57.398 56.287 0.037 0.000 1.004 146 K CB -0.908 31.611 32.500 0.031 0.000 0.804 146 K HN 0.538 nan 8.250 nan 0.000 0.496 147 G N -0.332 108.470 108.800 0.003 0.000 2.179 147 G HA2 -0.165 3.796 3.960 0.001 0.000 0.220 147 G HA3 -0.165 3.796 3.960 0.001 0.000 0.220 147 G C 0.144 175.030 174.900 -0.024 0.000 0.990 147 G CA 0.051 45.138 45.100 -0.023 0.000 0.646 147 G HN 0.413 nan 8.290 nan 0.000 0.517 148 K N 1.445 121.839 120.400 -0.010 0.000 2.298 148 K HA 0.413 4.734 4.320 0.001 0.000 0.280 148 K C 0.375 176.967 176.600 -0.012 0.000 1.032 148 K CA 0.029 56.311 56.287 -0.009 0.000 0.958 148 K CB 1.026 33.527 32.500 0.001 0.000 0.978 148 K HN 0.569 nan 8.250 nan 0.000 0.472 149 E N 1.833 122.021 120.200 -0.019 0.000 2.202 149 E HA 0.330 4.681 4.350 0.001 0.000 0.272 149 E C -0.657 175.916 176.600 -0.045 0.000 0.951 149 E CA -0.683 55.703 56.400 -0.023 0.000 0.813 149 E CB 1.977 31.663 29.700 -0.024 0.000 1.151 149 E HN 0.228 nan 8.360 nan 0.000 0.398 150 K N 2.120 122.479 120.400 -0.068 0.000 2.498 150 K HA 0.455 4.776 4.320 0.001 0.000 0.254 150 K C -1.479 174.934 176.600 -0.312 0.000 0.933 150 K CA -0.485 55.668 56.287 -0.222 0.000 0.806 150 K CB 1.376 33.705 32.500 -0.284 0.000 1.301 150 K HN 0.411 nan 8.250 nan 0.000 0.432 151 I N 4.206 124.561 120.570 -0.359 0.000 2.359 151 I HA 0.356 4.527 4.170 0.001 0.000 0.294 151 I C -1.013 174.910 176.117 -0.323 0.000 0.987 151 I CA -0.691 60.482 61.300 -0.210 0.000 1.225 151 I CB 0.880 38.840 38.000 -0.066 0.000 1.366 151 I HN 0.551 nan 8.210 nan 0.000 0.466 152 Y N 3.117 123.504 120.300 0.146 0.000 2.545 152 Y HA 0.520 5.070 4.550 0.001 0.000 0.348 152 Y C 0.152 176.228 175.900 0.294 0.000 1.002 152 Y CA -0.854 57.375 58.100 0.215 0.000 1.039 152 Y CB 2.214 40.803 38.460 0.215 0.000 1.271 152 Y HN 0.525 nan 8.280 nan 0.000 0.467 153 S N 1.070 117.066 115.700 0.493 0.000 2.566 153 S HA 0.989 5.460 4.470 0.001 0.000 0.298 153 S C -0.900 173.945 174.600 0.409 0.000 1.083 153 S CA -0.610 57.891 58.200 0.500 0.000 0.978 153 S CB 2.068 65.544 63.200 0.459 0.000 1.073 153 S HN 1.047 nan 8.310 nan 0.000 0.491 154 A N 0.796 123.760 122.820 0.240 0.000 2.572 154 A HA 0.667 4.988 4.320 0.001 0.000 0.295 154 A C 0.378 177.697 177.584 -0.442 0.000 1.072 154 A CA -0.555 51.380 52.037 -0.170 0.000 0.691 154 A CB 1.218 19.798 19.000 -0.699 0.000 1.291 154 A HN 0.976 nan 8.150 nan 0.000 0.404 155 E N 0.252 120.170 120.200 -0.469 0.000 2.106 155 E HA -0.059 4.292 4.350 0.001 0.000 0.192 155 E C 0.537 177.103 176.600 -0.056 0.000 0.984 155 E CA 1.168 57.281 56.400 -0.478 0.000 0.806 155 E CB 0.122 29.778 29.700 -0.073 0.000 0.750 155 E HN 0.582 nan 8.360 nan 0.000 0.458 156 R N -1.481 119.009 120.500 -0.018 0.000 2.836 156 R HA 0.473 4.814 4.340 0.001 0.000 0.269 156 R C -1.438 174.850 176.300 -0.019 0.000 1.010 156 R CA -0.773 55.464 56.100 0.229 0.000 0.930 156 R CB 1.367 31.834 30.300 0.279 0.000 1.218 156 R HN -0.102 nan 8.270 nan 0.000 0.473 157 F N 0.675 120.817 119.950 0.320 0.000 2.588 157 F HA 0.490 5.018 4.527 0.001 0.000 0.310 157 F C -0.947 174.999 175.800 0.243 0.000 1.082 157 F CA -0.940 57.218 58.000 0.262 0.000 0.929 157 F CB 1.897 41.119 39.000 0.371 0.000 1.254 157 F HN 0.159 nan 8.300 nan 0.000 0.455 158 L N 4.086 125.520 121.223 0.351 0.000 2.343 158 L HA 0.631 4.972 4.340 0.001 0.000 0.278 158 L C -1.106 175.886 176.870 0.204 0.000 0.996 158 L CA -0.352 54.639 54.840 0.251 0.000 0.831 158 L CB 1.014 43.162 42.059 0.148 0.000 1.232 158 L HN 0.474 nan 8.230 nan 0.000 0.413 159 I N 5.586 126.269 120.570 0.188 0.000 2.337 159 I HA 0.474 4.645 4.170 0.001 0.000 0.291 159 I C 0.517 176.688 176.117 0.091 0.000 1.046 159 I CA 0.150 61.529 61.300 0.132 0.000 1.324 159 I CB 1.250 39.326 38.000 0.128 0.000 1.409 159 I HN 0.820 nan 8.210 nan 0.000 0.494 160 A N 4.022 126.879 122.820 0.061 0.000 3.308 160 A HA 0.289 4.610 4.320 0.001 0.000 0.275 160 A C 0.664 178.270 177.584 0.037 0.000 0.950 160 A CA -0.290 51.777 52.037 0.049 0.000 0.987 160 A CB 0.346 19.368 19.000 0.037 0.000 1.146 160 A HN 0.648 nan 8.150 nan 0.000 0.488 161 T N -0.124 114.455 114.554 0.043 0.000 3.065 161 T HA 0.417 4.768 4.350 0.001 0.000 0.252 161 T C 1.252 175.992 174.700 0.066 0.000 1.099 161 T CA 1.638 63.761 62.100 0.038 0.000 1.063 161 T CB -0.326 68.558 68.868 0.026 0.000 0.948 161 T HN 1.916 nan 8.240 nan 0.000 0.506 162 G N 1.251 110.093 108.800 0.071 0.000 2.692 162 G HA2 -0.181 3.780 3.960 0.001 0.000 0.248 162 G HA3 -0.181 3.780 3.960 0.001 0.000 0.248 162 G C -0.647 174.310 174.900 0.096 0.000 1.340 162 G CA -0.158 44.994 45.100 0.086 0.000 0.896 162 G HN 0.525 nan 8.290 nan 0.000 0.570 163 E N -0.443 119.822 120.200 0.109 0.000 2.393 163 E HA 0.770 5.121 4.350 0.001 0.000 0.265 163 E C -0.288 176.394 176.600 0.137 0.000 0.941 163 E CA -1.163 55.303 56.400 0.111 0.000 0.801 163 E CB 1.685 31.442 29.700 0.094 0.000 1.313 163 E HN 0.459 nan 8.360 nan 0.000 0.435 164 R N 0.380 120.960 120.500 0.133 0.000 2.808 164 R HA 0.461 4.801 4.340 0.001 0.000 0.272 164 R C -2.737 173.632 176.300 0.115 0.000 0.995 164 R CA -2.513 53.680 56.100 0.155 0.000 0.917 164 R CB 0.893 31.304 30.300 0.184 0.000 1.217 164 R HN 0.316 nan 8.270 nan 0.000 0.471 165 P HA 0.085 nan 4.420 nan 0.000 0.266 165 P C -0.349 176.952 177.300 0.001 0.000 1.195 165 P CA 0.044 63.148 63.100 0.006 0.000 0.768 165 P CB 0.597 32.263 31.700 -0.057 0.000 0.838 166 R N 2.757 123.233 120.500 -0.040 0.000 2.457 166 R HA 0.363 4.704 4.340 0.001 0.000 0.284 166 R C -0.681 175.555 176.300 -0.107 0.000 1.024 166 R CA -0.413 55.694 56.100 0.012 0.000 1.025 166 R CB 0.350 30.663 30.300 0.022 0.000 1.063 166 R HN 0.394 nan 8.270 nan 0.000 0.493 167 Y N 2.232 122.548 120.300 0.027 0.000 2.453 167 Y HA 0.303 4.854 4.550 0.001 0.000 0.326 167 Y C 0.228 176.140 175.900 0.019 0.000 1.186 167 Y CA -0.630 57.482 58.100 0.021 0.000 1.200 167 Y CB 1.313 39.784 38.460 0.019 0.000 1.247 167 Y HN 0.380 nan 8.280 nan 0.000 0.482 168 L N 1.222 122.551 121.223 0.177 0.000 2.397 168 L HA 0.253 4.594 4.340 0.001 0.000 0.271 168 L C 1.298 178.243 176.870 0.125 0.000 1.148 168 L CA -0.093 54.817 54.840 0.116 0.000 0.825 168 L CB 0.558 42.670 42.059 0.088 0.000 1.117 168 L HN 0.959 nan 8.230 nan 0.000 0.456 169 G N 4.019 112.870 108.800 0.084 0.000 3.352 169 G HA2 0.200 4.161 3.960 0.001 0.000 0.236 169 G HA3 0.200 4.161 3.960 0.001 0.000 0.236 169 G C 0.261 175.192 174.900 0.051 0.000 1.324 169 G CA -0.176 44.961 45.100 0.062 0.000 1.404 169 G HN 0.547 nan 8.290 nan 0.000 0.542 170 I N -3.619 116.990 120.570 0.064 0.000 2.707 170 I HA 0.631 4.802 4.170 0.001 0.000 0.309 170 I C -2.671 173.478 176.117 0.053 0.000 1.001 170 I CA -3.410 57.925 61.300 0.059 0.000 1.129 170 I CB 1.964 40.006 38.000 0.070 0.000 1.308 170 I HN -0.264 nan 8.210 nan 0.000 0.466 171 P HA 0.203 nan 4.420 nan 0.000 0.267 171 P C 0.669 178.024 177.300 0.091 0.000 1.205 171 P CA 0.752 63.884 63.100 0.053 0.000 0.765 171 P CB 0.904 32.639 31.700 0.058 0.000 0.828 172 G N 3.259 112.098 108.800 0.067 0.000 2.217 172 G HA2 -0.276 3.684 3.960 0.001 0.000 0.246 172 G HA3 -0.276 3.684 3.960 0.001 0.000 0.246 172 G C 0.931 175.893 174.900 0.104 0.000 0.990 172 G CA 0.555 45.739 45.100 0.141 0.000 0.627 172 G HN 0.566 nan 8.290 nan 0.000 0.522 173 D N 1.186 121.639 120.400 0.089 0.000 2.087 173 D HA -0.094 4.547 4.640 0.001 0.000 0.192 173 D C 2.007 178.377 176.300 0.115 0.000 0.993 173 D CA 1.702 55.799 54.000 0.161 0.000 0.828 173 D CB -0.586 40.354 40.800 0.234 0.000 0.968 173 D HN 0.464 nan 8.370 nan 0.000 0.448 174 K N -0.005 120.313 120.400 -0.136 0.000 2.148 174 K HA -0.075 4.246 4.320 0.001 0.000 0.204 174 K C 2.098 178.586 176.600 -0.187 0.000 1.050 174 K CA 1.152 57.243 56.287 -0.327 0.000 0.942 174 K CB 0.018 32.254 32.500 -0.441 0.000 0.724 174 K HN 0.206 nan 8.250 nan 0.000 0.446 175 E N -0.592 119.440 120.200 -0.279 0.000 2.122 175 E HA -0.074 4.276 4.350 0.001 0.000 0.190 175 E C 1.076 177.453 176.600 -0.373 0.000 0.977 175 E CA 1.054 57.182 56.400 -0.454 0.000 0.820 175 E CB 0.050 29.210 29.700 -0.901 0.000 0.770 175 E HN 0.312 nan 8.360 nan 0.000 0.462 176 Y N -1.314 119.021 120.300 0.059 0.000 2.467 176 Y HA 0.298 4.849 4.550 0.001 0.000 0.259 176 Y C 0.559 176.510 175.900 0.085 0.000 1.084 176 Y CA -1.084 57.055 58.100 0.065 0.000 1.275 176 Y CB 0.120 38.610 38.460 0.050 0.000 1.208 176 Y HN -0.054 nan 8.280 nan 0.000 0.511 177 C N 2.341 121.779 119.300 0.230 0.000 2.351 177 C HA 0.663 5.124 4.460 0.001 0.000 0.359 177 C C 0.619 175.712 174.990 0.172 0.000 1.193 177 C CA -1.217 57.909 59.018 0.180 0.000 2.270 177 C CB 0.402 28.242 27.740 0.167 0.000 2.369 177 C HN 0.352 nan 8.230 nan 0.000 0.553 178 I N 0.517 121.142 120.570 0.092 0.000 2.863 178 I HA 0.834 5.005 4.170 0.001 0.000 0.311 178 I C -0.018 176.079 176.117 -0.032 0.000 1.026 178 I CA -0.067 61.269 61.300 0.059 0.000 1.077 178 I CB 2.007 40.022 38.000 0.024 0.000 1.262 178 I HN 0.718 nan 8.210 nan 0.000 0.461 179 S N 1.040 116.711 115.700 -0.049 0.000 2.806 179 S HA 0.340 4.811 4.470 0.001 0.000 0.315 179 S C 1.019 175.541 174.600 -0.130 0.000 1.127 179 S CA 0.025 58.150 58.200 -0.125 0.000 0.918 179 S CB 1.146 64.254 63.200 -0.153 0.000 1.240 179 S HN 0.916 nan 8.310 nan 0.000 0.552 180 S N 0.408 116.024 115.700 -0.141 0.000 2.402 180 S HA -0.214 4.257 4.470 0.001 0.000 0.233 180 S C 1.085 175.591 174.600 -0.158 0.000 1.030 180 S CA 1.840 59.918 58.200 -0.203 0.000 1.003 180 S CB -1.172 62.021 63.200 -0.011 0.000 0.813 180 S HN 0.710 nan 8.310 nan 0.000 0.477 181 D N 2.003 122.395 120.400 -0.014 0.000 2.149 181 D HA -0.078 4.563 4.640 0.001 0.000 0.198 181 D C 1.607 177.956 176.300 0.083 0.000 0.990 181 D CA 1.502 55.531 54.000 0.048 0.000 0.839 181 D CB -0.387 40.575 40.800 0.270 0.000 0.948 181 D HN 0.574 nan 8.370 nan 0.000 0.460 182 D N -0.423 120.012 120.400 0.058 0.000 2.271 182 D HA -0.037 4.603 4.640 0.001 0.000 0.206 182 D C 2.189 178.484 176.300 -0.009 0.000 0.967 182 D CA -0.049 53.996 54.000 0.074 0.000 0.867 182 D CB 0.072 40.918 40.800 0.077 0.000 0.960 182 D HN 0.121 nan 8.370 nan 0.000 0.509 183 L N 0.576 121.701 121.223 -0.163 0.000 2.042 183 L HA -0.155 4.186 4.340 0.001 0.000 0.210 183 L C 1.639 178.471 176.870 -0.064 0.000 1.076 183 L CA 1.593 56.312 54.840 -0.202 0.000 0.749 183 L CB -0.595 41.191 42.059 -0.454 0.000 0.893 183 L HN -0.156 nan 8.230 nan 0.000 0.432 184 F N -0.930 119.090 119.950 0.117 0.000 2.802 184 F HA 0.074 4.602 4.527 0.001 0.000 0.300 184 F C 2.157 177.969 175.800 0.020 0.000 1.168 184 F CA 0.656 58.685 58.000 0.048 0.000 1.433 184 F CB -0.844 38.136 39.000 -0.034 0.000 1.115 184 F HN 0.366 nan 8.300 nan 0.000 0.582 185 S N -1.075 114.741 115.700 0.193 0.000 2.819 185 S HA 0.237 4.708 4.470 0.001 0.000 0.249 185 S C 0.033 174.716 174.600 0.140 0.000 1.030 185 S CA -0.439 57.850 58.200 0.149 0.000 1.052 185 S CB -0.493 62.802 63.200 0.158 0.000 1.017 185 S HN 0.032 nan 8.310 nan 0.000 0.576 186 L N 4.137 125.463 121.223 0.172 0.000 2.513 186 L HA 0.330 4.671 4.340 0.001 0.000 0.272 186 L C -1.656 175.272 176.870 0.096 0.000 1.187 186 L CA -1.038 53.822 54.840 0.033 0.000 0.895 186 L CB 0.498 42.532 42.059 -0.042 0.000 1.147 186 L HN 0.080 nan 8.230 nan 0.000 0.483 187 P HA 0.026 nan 4.420 nan 0.000 0.255 187 P C -1.389 176.022 177.300 0.186 0.000 1.301 187 P CA 0.389 63.555 63.100 0.109 0.000 0.817 187 P CB -0.204 31.577 31.700 0.135 0.000 1.259 188 Y N -3.277 117.137 120.300 0.189 0.000 2.597 188 Y HA 0.492 5.043 4.550 0.001 0.000 0.340 188 Y C -0.577 175.128 175.900 -0.325 0.000 1.097 188 Y CA -2.172 55.956 58.100 0.046 0.000 1.037 188 Y CB -0.003 38.455 38.460 -0.003 0.000 1.305 188 Y HN -0.223 nan 8.280 nan 0.000 0.463 189 C N 4.197 123.362 119.300 -0.225 0.000 2.648 189 C HA 0.304 4.765 4.460 0.001 0.000 0.419 189 C C -1.100 173.670 174.990 -0.366 0.000 1.352 189 C CA -1.241 57.342 59.018 -0.724 0.000 1.816 189 C CB 0.073 27.693 27.740 -0.199 0.000 2.598 189 C HN 0.788 nan 8.230 nan 0.000 0.598 190 P HA 0.147 nan 4.420 nan 0.000 0.223 190 P C 1.054 178.291 177.300 -0.105 0.000 1.151 190 P CA 1.940 64.899 63.100 -0.236 0.000 0.787 190 P CB -0.152 31.342 31.700 -0.344 0.000 0.788 191 G N -0.120 108.604 108.800 -0.127 0.000 2.552 191 G HA2 -0.323 3.638 3.960 0.001 0.000 0.265 191 G HA3 -0.323 3.638 3.960 0.001 0.000 0.265 191 G C -0.282 174.600 174.900 -0.030 0.000 1.234 191 G CA -0.313 44.755 45.100 -0.054 0.000 0.944 191 G HN 0.399 nan 8.290 nan 0.000 0.568 192 K N 1.280 121.680 120.400 -0.001 0.000 2.430 192 K HA 0.349 4.670 4.320 0.001 0.000 0.280 192 K C -0.301 176.357 176.600 0.096 0.000 1.063 192 K CA 0.984 57.297 56.287 0.042 0.000 1.071 192 K CB -0.303 32.214 32.500 0.030 0.000 0.899 192 K HN 0.509 nan 8.250 nan 0.000 0.473 193 T N 4.523 119.116 114.554 0.066 0.000 2.841 193 T HA 0.305 4.656 4.350 0.001 0.000 0.283 193 T C -1.129 173.488 174.700 -0.138 0.000 1.000 193 T CA -0.739 61.347 62.100 -0.023 0.000 0.977 193 T CB 1.220 70.033 68.868 -0.092 0.000 0.979 193 T HN 0.350 nan 8.240 nan 0.000 0.446 194 L N 4.340 125.330 121.223 -0.389 0.000 2.272 194 L HA 0.631 4.971 4.340 0.001 0.000 0.289 194 L C -0.869 175.793 176.870 -0.347 0.000 1.032 194 L CA -0.512 53.964 54.840 -0.608 0.000 0.810 194 L CB 1.093 42.448 42.059 -1.174 0.000 1.205 194 L HN 0.443 nan 8.230 nan 0.000 0.422 195 V N 6.216 125.961 119.914 -0.281 0.000 2.370 195 V HA 0.390 4.511 4.120 0.001 0.000 0.279 195 V C -0.147 175.839 176.094 -0.179 0.000 1.029 195 V CA -0.693 61.480 62.300 -0.213 0.000 0.870 195 V CB 1.528 33.230 31.823 -0.201 0.000 0.984 195 V HN 0.498 nan 8.190 nan 0.000 0.451 196 V N 4.891 124.719 119.914 -0.144 0.000 2.383 196 V HA 0.930 5.051 4.120 0.001 0.000 0.275 196 V C 0.650 176.702 176.094 -0.069 0.000 1.036 196 V CA 0.570 62.814 62.300 -0.095 0.000 0.889 196 V CB 0.633 32.409 31.823 -0.078 0.000 0.985 196 V HN 1.256 nan 8.190 nan 0.000 0.459 197 G N 3.909 112.688 108.800 -0.034 0.000 2.362 197 G HA2 0.462 4.423 3.960 0.001 0.000 0.656 197 G HA3 0.462 4.423 3.960 0.001 0.000 0.656 197 G C -0.375 174.531 174.900 0.010 0.000 1.376 197 G CA -0.061 45.029 45.100 -0.016 0.000 0.971 197 G HN 1.365 nan 8.290 nan 0.000 0.636 198 A N -0.202 122.634 122.820 0.028 0.000 2.594 198 A HA 0.737 5.058 4.320 0.001 0.000 0.292 198 A C 1.081 178.689 177.584 0.041 0.000 1.026 198 A CA 1.194 53.265 52.037 0.056 0.000 0.983 198 A CB -0.440 18.610 19.000 0.083 0.000 1.233 198 A HN 2.296 nan 8.150 nan 0.000 0.519 199 S N -0.614 115.087 115.700 0.003 0.000 2.608 199 S HA 0.287 4.758 4.470 0.001 0.000 0.261 199 S C 1.116 175.691 174.600 -0.041 0.000 1.314 199 S CA 0.247 58.435 58.200 -0.021 0.000 0.992 199 S CB -0.070 63.057 63.200 -0.122 0.000 0.935 199 S HN 0.861 nan 8.310 nan 0.000 0.564 200 Y N -0.498 119.818 120.300 0.026 0.000 2.224 200 Y HA -0.030 4.521 4.550 0.001 0.000 0.289 200 Y C 1.895 177.821 175.900 0.044 0.000 1.146 200 Y CA 1.072 59.158 58.100 -0.024 0.000 1.182 200 Y CB -1.315 37.124 38.460 -0.035 0.000 0.983 200 Y HN 0.287 nan 8.280 nan 0.000 0.524 201 V N 1.393 121.096 119.914 -0.351 0.000 2.343 201 V HA -0.326 3.794 4.120 0.001 0.000 0.247 201 V C 2.894 178.962 176.094 -0.042 0.000 1.051 201 V CA 1.861 64.094 62.300 -0.113 0.000 1.036 201 V CB -1.430 30.283 31.823 -0.183 0.000 0.654 201 V HN 0.667 nan 8.190 nan 0.000 0.451 202 A N -0.241 122.529 122.820 -0.083 0.000 1.877 202 A HA -0.145 4.176 4.320 0.001 0.000 0.216 202 A C 2.201 179.750 177.584 -0.058 0.000 1.186 202 A CA 1.826 53.818 52.037 -0.076 0.000 0.620 202 A CB -0.501 18.462 19.000 -0.061 0.000 0.822 202 A HN 0.499 nan 8.150 nan 0.000 0.443 203 L N -1.006 120.216 121.223 -0.002 0.000 2.109 203 L HA -0.145 4.196 4.340 0.001 0.000 0.207 203 L C 2.568 179.452 176.870 0.022 0.000 1.086 203 L CA 1.337 56.196 54.840 0.031 0.000 0.760 203 L CB -0.699 41.406 42.059 0.077 0.000 0.910 203 L HN 0.478 nan 8.230 nan 0.000 0.437 204 E N -0.294 119.944 120.200 0.063 0.000 2.058 204 E HA -0.230 4.121 4.350 0.001 0.000 0.194 204 E C 2.335 178.908 176.600 -0.045 0.000 0.997 204 E CA 1.728 58.199 56.400 0.118 0.000 0.801 204 E CB -0.153 29.704 29.700 0.260 0.000 0.746 204 E HN 0.529 nan 8.360 nan 0.000 0.450 205 C N 0.592 119.762 119.300 -0.218 0.000 2.453 205 C HA -0.035 4.426 4.460 0.001 0.000 0.277 205 C C 2.913 177.465 174.990 -0.729 0.000 1.262 205 C CA 0.616 59.159 59.018 -0.791 0.000 1.718 205 C CB -0.970 26.528 27.740 -0.403 0.000 2.031 205 C HN 0.523 nan 8.230 nan 0.000 0.480 206 A N 1.116 123.726 122.820 -0.350 0.000 1.917 206 A HA -0.055 4.266 4.320 0.001 0.000 0.219 206 A C 2.381 179.850 177.584 -0.193 0.000 1.182 206 A CA 2.372 54.256 52.037 -0.254 0.000 0.633 206 A CB -1.355 17.529 19.000 -0.192 0.000 0.819 206 A HN 0.568 nan 8.150 nan 0.000 0.448 207 G N -0.275 108.458 108.800 -0.113 0.000 2.421 207 G HA2 -0.177 3.783 3.960 0.001 0.000 0.216 207 G HA3 -0.177 3.783 3.960 0.001 0.000 0.216 207 G C 1.386 176.354 174.900 0.114 0.000 1.171 207 G CA 1.372 46.498 45.100 0.044 0.000 0.775 207 G HN 0.821 nan 8.290 nan 0.000 0.543 208 F N 0.643 120.687 119.950 0.156 0.000 2.293 208 F HA 0.302 4.830 4.527 0.001 0.000 0.297 208 F C 2.164 178.029 175.800 0.109 0.000 1.089 208 F CA 0.172 58.264 58.000 0.154 0.000 1.377 208 F CB -0.689 38.429 39.000 0.197 0.000 1.051 208 F HN 0.039 nan 8.300 nan 0.000 0.511 209 L N 0.845 122.090 121.223 0.036 0.000 2.083 209 L HA -0.140 4.201 4.340 0.001 0.000 0.209 209 L C 2.900 179.816 176.870 0.076 0.000 1.083 209 L CA 1.246 56.153 54.840 0.111 0.000 0.752 209 L CB -1.129 40.883 42.059 -0.078 0.000 0.899 209 L HN 0.379 nan 8.230 nan 0.000 0.433 210 A N 0.227 123.067 122.820 0.033 0.000 1.929 210 A HA -0.046 4.275 4.320 0.001 0.000 0.216 210 A C 2.394 180.021 177.584 0.071 0.000 1.176 210 A CA 1.395 53.456 52.037 0.040 0.000 0.628 210 A CB -1.055 17.962 19.000 0.029 0.000 0.816 210 A HN 0.417 nan 8.150 nan 0.000 0.444 211 G N 0.733 109.598 108.800 0.108 0.000 2.448 211 G HA2 -0.119 3.842 3.960 0.001 0.000 0.219 211 G HA3 -0.119 3.842 3.960 0.001 0.000 0.219 211 G C 1.344 176.271 174.900 0.044 0.000 1.127 211 G CA 1.081 46.237 45.100 0.093 0.000 0.766 211 G HN 0.850 nan 8.290 nan 0.000 0.552 212 I N -2.940 117.651 120.570 0.035 0.000 3.684 212 I HA 0.460 4.631 4.170 0.001 0.000 0.304 212 I C 1.429 177.558 176.117 0.020 0.000 1.278 212 I CA 0.532 61.780 61.300 -0.086 0.000 1.272 212 I CB 0.078 37.914 38.000 -0.273 0.000 1.029 212 I HN 0.173 nan 8.210 nan 0.000 0.458 213 G N 1.553 110.383 108.800 0.051 0.000 2.179 213 G HA2 -0.174 3.787 3.960 0.001 0.000 0.220 213 G HA3 -0.174 3.787 3.960 0.001 0.000 0.220 213 G C 0.005 174.937 174.900 0.053 0.000 0.990 213 G CA -0.115 45.020 45.100 0.058 0.000 0.646 213 G HN 0.349 nan 8.290 nan 0.000 0.517 214 L N 0.948 122.201 121.223 0.051 0.000 2.439 214 L HA 0.478 4.819 4.340 0.001 0.000 0.261 214 L C 0.395 177.271 176.870 0.011 0.000 1.153 214 L CA -0.795 54.063 54.840 0.029 0.000 0.808 214 L CB 0.693 42.763 42.059 0.018 0.000 1.126 214 L HN 0.126 nan 8.230 nan 0.000 0.460 215 D N 1.942 122.344 120.400 0.004 0.000 2.352 215 D HA 0.268 4.909 4.640 0.001 0.000 0.245 215 D C -0.982 175.315 176.300 -0.004 0.000 1.224 215 D CA -0.116 53.884 54.000 0.000 0.000 0.879 215 D CB 0.960 41.761 40.800 0.002 0.000 1.057 215 D HN 0.082 nan 8.370 nan 0.000 0.491 216 V N 3.616 123.510 119.914 -0.033 0.000 2.555 216 V HA 0.489 4.609 4.120 0.001 0.000 0.302 216 V C 0.392 176.415 176.094 -0.118 0.000 1.038 216 V CA -0.692 61.560 62.300 -0.080 0.000 0.887 216 V CB 2.048 33.800 31.823 -0.117 0.000 0.991 216 V HN 0.533 nan 8.190 nan 0.000 0.434 217 T N 3.426 117.895 114.554 -0.142 0.000 2.861 217 T HA 0.636 4.987 4.350 0.001 0.000 0.287 217 T C -0.626 173.895 174.700 -0.299 0.000 1.003 217 T CA -0.486 61.498 62.100 -0.193 0.000 0.977 217 T CB 1.892 70.736 68.868 -0.039 0.000 0.996 217 T HN 0.369 nan 8.240 nan 0.000 0.448 218 V N 3.719 123.388 119.914 -0.409 0.000 2.409 218 V HA 0.498 4.619 4.120 0.001 0.000 0.291 218 V C -0.252 175.754 176.094 -0.148 0.000 1.020 218 V CA -0.786 61.311 62.300 -0.339 0.000 0.848 218 V CB 1.534 33.053 31.823 -0.507 0.000 0.990 218 V HN 0.896 nan 8.190 nan 0.000 0.430 219 M N 6.042 125.593 119.600 -0.081 0.000 2.088 219 M HA 0.632 5.113 4.480 0.001 0.000 0.346 219 M C -1.292 175.049 176.300 0.069 0.000 1.111 219 M CA -0.286 55.022 55.300 0.012 0.000 1.017 219 M CB 1.202 33.789 32.600 -0.021 0.000 1.568 219 M HN 0.497 nan 8.290 nan 0.000 0.445 220 V N 5.385 125.381 119.914 0.136 0.000 2.581 220 V HA 0.449 4.570 4.120 0.001 0.000 0.303 220 V C 0.640 176.801 176.094 0.111 0.000 1.041 220 V CA -0.737 61.637 62.300 0.124 0.000 0.907 220 V CB 1.659 33.574 31.823 0.153 0.000 0.994 220 V HN 0.984 nan 8.190 nan 0.000 0.442 221 R N 2.222 122.767 120.500 0.074 0.000 2.052 221 R HA -0.017 4.324 4.340 0.001 0.000 0.226 221 R C 1.447 177.767 176.300 0.034 0.000 1.145 221 R CA 1.873 58.003 56.100 0.050 0.000 0.952 221 R CB 0.126 30.448 30.300 0.036 0.000 0.847 221 R HN 0.896 nan 8.270 nan 0.000 0.431 222 S N 0.338 116.060 115.700 0.037 0.000 3.830 222 S HA 0.260 4.731 4.470 0.001 0.000 0.172 222 S C 0.719 175.337 174.600 0.030 0.000 0.966 222 S CA -0.312 57.903 58.200 0.026 0.000 1.124 222 S CB -0.444 62.767 63.200 0.018 0.000 1.697 222 S HN 0.359 nan 8.310 nan 0.000 0.872 223 I N 0.989 121.579 120.570 0.032 0.000 2.664 223 I HA 0.592 4.763 4.170 0.001 0.000 0.308 223 I C -0.873 175.268 176.117 0.041 0.000 0.984 223 I CA -1.212 60.105 61.300 0.028 0.000 1.213 223 I CB 0.752 38.770 38.000 0.031 0.000 1.379 223 I HN 0.358 nan 8.210 nan 0.000 0.501 224 L N 5.006 126.243 121.223 0.023 0.000 2.371 224 L HA 0.318 4.659 4.340 0.001 0.000 0.272 224 L C 0.198 177.103 176.870 0.058 0.000 1.124 224 L CA -0.825 54.034 54.840 0.031 0.000 0.816 224 L CB 0.739 42.789 42.059 -0.016 0.000 1.129 224 L HN 0.669 nan 8.230 nan 0.000 0.448 225 L N 1.923 123.191 121.223 0.076 0.000 3.795 225 L HA -0.226 4.115 4.340 0.001 0.000 0.489 225 L C 0.722 177.792 176.870 0.333 0.000 1.259 225 L CA 0.154 55.079 54.840 0.142 0.000 0.765 225 L CB -1.354 40.660 42.059 -0.076 0.000 1.519 225 L HN 0.713 nan 8.230 nan 0.000 0.842 226 R N 0.994 121.645 120.500 0.252 0.000 2.583 226 R HA 0.242 4.583 4.340 0.001 0.000 0.274 226 R C 1.471 177.943 176.300 0.287 0.000 0.998 226 R CA 1.436 57.667 56.100 0.219 0.000 1.081 226 R CB 0.328 30.712 30.300 0.141 0.000 0.940 226 R HN 0.573 nan 8.270 nan 0.000 0.413 227 G N 3.278 112.187 108.800 0.183 0.000 2.279 227 G HA2 -0.282 3.679 3.960 0.001 0.000 0.223 227 G HA3 -0.282 3.679 3.960 0.001 0.000 0.223 227 G C -0.061 174.831 174.900 -0.013 0.000 1.015 227 G CA -0.099 45.029 45.100 0.046 0.000 0.621 227 G HN 0.519 nan 8.290 nan 0.000 0.506 228 F N 1.991 122.024 119.950 0.139 0.000 2.378 228 F HA 0.483 5.011 4.527 0.001 0.000 0.325 228 F C 0.864 176.748 175.800 0.139 0.000 1.097 228 F CA -0.473 57.642 58.000 0.193 0.000 1.079 228 F CB 0.660 39.822 39.000 0.269 0.000 1.240 228 F HN -0.001 nan 8.300 nan 0.000 0.519 229 D N 2.118 122.725 120.400 0.345 0.000 2.570 229 D HA -0.109 4.532 4.640 0.001 0.000 0.243 229 D C 0.728 177.065 176.300 0.060 0.000 1.171 229 D CA 0.257 54.333 54.000 0.126 0.000 0.879 229 D CB 0.897 41.671 40.800 -0.042 0.000 1.143 229 D HN 0.504 nan 8.370 nan 0.000 0.511 230 Q N 2.990 122.807 119.800 0.029 0.000 2.230 230 Q HA -0.131 4.210 4.340 0.001 0.000 0.202 230 Q C 1.252 177.215 176.000 -0.062 0.000 0.963 230 Q CA 0.793 56.595 55.803 -0.000 0.000 0.866 230 Q CB -0.033 28.709 28.738 0.008 0.000 0.931 230 Q HN 0.636 nan 8.270 nan 0.000 0.452 231 D N 0.125 120.475 120.400 -0.082 0.000 2.117 231 D HA -0.140 4.501 4.640 0.001 0.000 0.197 231 D C 1.703 177.894 176.300 -0.180 0.000 0.987 231 D CA 1.100 55.027 54.000 -0.121 0.000 0.829 231 D CB 0.203 40.940 40.800 -0.106 0.000 0.961 231 D HN 0.034 nan 8.370 nan 0.000 0.460 232 M N 0.426 119.895 119.600 -0.218 0.000 2.132 232 M HA 0.048 4.529 4.480 0.001 0.000 0.263 232 M C 2.425 178.519 176.300 -0.344 0.000 1.065 232 M CA 1.128 56.210 55.300 -0.364 0.000 1.122 232 M CB -1.448 30.732 32.600 -0.700 0.000 1.365 232 M HN 0.105 nan 8.290 nan 0.000 0.411 233 A N 1.445 124.125 122.820 -0.233 0.000 1.873 233 A HA -0.216 4.105 4.320 0.001 0.000 0.218 233 A C 2.045 179.544 177.584 -0.141 0.000 1.193 233 A CA 2.082 54.028 52.037 -0.153 0.000 0.629 233 A CB -0.909 18.061 19.000 -0.051 0.000 0.826 233 A HN 0.507 nan 8.150 nan 0.000 0.447 234 N N -0.062 118.558 118.700 -0.134 0.000 2.166 234 N HA -0.119 4.622 4.740 0.001 0.000 0.186 234 N C 1.598 177.028 175.510 -0.133 0.000 1.019 234 N CA 1.429 54.398 53.050 -0.134 0.000 0.856 234 N CB -0.331 38.085 38.487 -0.119 0.000 0.993 234 N HN 0.578 nan 8.380 nan 0.000 0.426 235 K N 0.644 120.957 120.400 -0.146 0.000 2.097 235 K HA 0.032 4.353 4.320 0.001 0.000 0.205 235 K C 2.083 178.656 176.600 -0.045 0.000 1.050 235 K CA 0.645 56.866 56.287 -0.111 0.000 0.938 235 K CB -0.088 32.311 32.500 -0.168 0.000 0.718 235 K HN 0.167 nan 8.250 nan 0.000 0.442 236 I N 0.640 121.162 120.570 -0.079 0.000 2.226 236 I HA -0.209 3.962 4.170 0.001 0.000 0.245 236 I C 2.500 178.646 176.117 0.049 0.000 1.100 236 I CA 1.400 62.693 61.300 -0.012 0.000 1.374 236 I CB -0.627 37.343 38.000 -0.050 0.000 1.057 236 I HN 0.273 nan 8.210 nan 0.000 0.413 237 G N 0.114 108.881 108.800 -0.056 0.000 2.418 237 G HA2 -0.234 3.726 3.960 0.001 0.000 0.217 237 G HA3 -0.234 3.726 3.960 0.001 0.000 0.217 237 G C 1.528 176.342 174.900 -0.144 0.000 1.158 237 G CA 0.577 45.565 45.100 -0.187 0.000 0.771 237 G HN 0.382 nan 8.290 nan 0.000 0.545 238 E N -0.667 119.483 120.200 -0.084 0.000 2.085 238 E HA -0.193 4.157 4.350 0.001 0.000 0.194 238 E C 2.205 178.849 176.600 0.073 0.000 0.994 238 E CA 0.912 57.292 56.400 -0.033 0.000 0.801 238 E CB -0.220 29.465 29.700 -0.026 0.000 0.743 238 E HN 0.549 nan 8.360 nan 0.000 0.453 239 H N 0.360 119.468 119.070 0.064 0.000 2.357 239 H HA -0.058 4.498 4.556 0.001 0.000 0.301 239 H C 2.068 177.562 175.328 0.278 0.000 1.082 239 H CA 1.416 57.575 56.048 0.185 0.000 1.342 239 H CB 0.013 29.878 29.762 0.172 0.000 1.389 239 H HN 0.162 nan 8.280 nan 0.000 0.511 240 M N 0.384 120.210 119.600 0.377 0.000 2.108 240 M HA -0.173 4.308 4.480 0.001 0.000 0.261 240 M C 2.469 178.952 176.300 0.305 0.000 1.066 240 M CA 2.016 57.538 55.300 0.369 0.000 1.107 240 M CB -0.248 32.633 32.600 0.469 0.000 1.356 240 M HN 0.323 nan 8.290 nan 0.000 0.406 241 E N 0.673 121.059 120.200 0.310 0.000 2.110 241 E HA -0.209 4.141 4.350 0.001 0.000 0.193 241 E C 1.617 178.245 176.600 0.046 0.000 0.988 241 E CA 1.244 57.786 56.400 0.237 0.000 0.804 241 E CB 0.066 29.863 29.700 0.162 0.000 0.745 241 E HN 0.517 nan 8.360 nan 0.000 0.458 242 E N -0.896 119.269 120.200 -0.058 0.000 2.347 242 E HA -0.120 4.231 4.350 0.001 0.000 0.196 242 E C 0.298 176.616 176.600 -0.470 0.000 1.008 242 E CA 0.603 56.842 56.400 -0.267 0.000 0.852 242 E CB 0.079 29.557 29.700 -0.370 0.000 0.783 242 E HN 0.427 nan 8.360 nan 0.000 0.505 243 H N -1.438 117.561 119.070 -0.119 0.000 2.507 243 H HA 0.273 4.830 4.556 0.001 0.000 0.281 243 H C 0.736 176.044 175.328 -0.033 0.000 1.160 243 H CA 0.247 56.230 56.048 -0.108 0.000 0.981 243 H CB 0.854 30.502 29.762 -0.189 0.000 1.665 243 H HN 0.250 nan 8.280 nan 0.000 0.554 244 G N 0.372 109.187 108.800 0.025 0.000 2.308 244 G HA2 -0.274 3.686 3.960 0.001 0.000 0.221 244 G HA3 -0.274 3.686 3.960 0.001 0.000 0.221 244 G C 0.374 175.284 174.900 0.016 0.000 1.032 244 G CA -0.167 44.946 45.100 0.022 0.000 0.623 244 G HN 0.342 nan 8.290 nan 0.000 0.506 245 I N 2.372 122.961 120.570 0.032 0.000 2.598 245 I HA 0.202 4.373 4.170 0.001 0.000 0.284 245 I C 0.675 176.744 176.117 -0.081 0.000 1.140 245 I CA 0.228 61.491 61.300 -0.061 0.000 1.420 245 I CB 0.713 38.659 38.000 -0.091 0.000 1.387 245 I HN 0.094 nan 8.210 nan 0.000 0.553 246 K N 6.273 126.574 120.400 -0.165 0.000 2.143 246 K HA 0.527 4.848 4.320 0.001 0.000 0.272 246 K C -1.130 175.303 176.600 -0.278 0.000 1.001 246 K CA -0.326 55.903 56.287 -0.096 0.000 0.915 246 K CB 1.153 33.623 32.500 -0.050 0.000 1.047 246 K HN 0.272 nan 8.250 nan 0.000 0.458 247 F N 2.211 122.162 119.950 0.001 0.000 2.493 247 F HA 0.419 4.947 4.527 0.002 0.000 0.329 247 F C -0.023 175.782 175.800 0.008 0.000 1.126 247 F CA -0.806 57.197 58.000 0.004 0.000 0.937 247 F CB 1.229 40.235 39.000 0.010 0.000 1.146 247 F HN 0.210 nan 8.300 nan 0.000 0.442 248 I N 5.208 125.872 120.570 0.157 0.000 2.354 248 I HA 0.407 4.578 4.170 0.001 0.000 0.286 248 I C -0.495 175.756 176.117 0.224 0.000 1.007 248 I CA -0.832 60.539 61.300 0.117 0.000 1.167 248 I CB 0.763 38.749 38.000 -0.023 0.000 1.320 248 I HN 0.390 nan 8.210 nan 0.000 0.458 249 R N 5.026 125.682 120.500 0.260 0.000 2.407 249 R HA 0.429 4.769 4.340 0.001 0.000 0.303 249 R C -0.302 176.172 176.300 0.289 0.000 0.981 249 R CA -0.829 55.411 56.100 0.234 0.000 0.905 249 R CB 1.109 31.495 30.300 0.144 0.000 1.099 249 R HN 0.556 nan 8.270 nan 0.000 0.459 250 Q N 0.398 120.294 119.800 0.160 0.000 2.461 250 Q HA -0.190 4.151 4.340 0.001 0.000 0.298 250 Q C -1.415 174.472 176.000 -0.188 0.000 1.399 250 Q CA 0.903 56.703 55.803 -0.005 0.000 0.778 250 Q CB -1.511 27.181 28.738 -0.076 0.000 1.130 250 Q HN 0.484 nan 8.270 nan 0.000 0.407 251 F N -1.338 118.629 119.950 0.028 0.000 2.601 251 F HA 0.766 5.294 4.527 0.002 0.000 0.309 251 F C -0.108 175.704 175.800 0.020 0.000 1.089 251 F CA -1.029 56.986 58.000 0.025 0.000 0.940 251 F CB 1.894 40.911 39.000 0.029 0.000 1.273 251 F HN -0.159 nan 8.300 nan 0.000 0.450 252 V N 2.702 122.731 119.914 0.190 0.000 2.841 252 V HA 0.494 4.615 4.120 0.001 0.000 0.310 252 V C -2.527 173.642 176.094 0.126 0.000 1.090 252 V CA -2.293 60.079 62.300 0.119 0.000 0.930 252 V CB 2.339 34.200 31.823 0.062 0.000 1.014 252 V HN 0.442 nan 8.190 nan 0.000 0.425 253 P HA 0.320 nan 4.420 nan 0.000 0.271 253 P C 0.660 178.007 177.300 0.079 0.000 1.216 253 P CA -0.045 63.105 63.100 0.084 0.000 0.771 253 P CB 0.553 32.288 31.700 0.057 0.000 0.864 254 I N -1.133 119.485 120.570 0.081 0.000 4.035 254 I HA 0.440 4.611 4.170 0.001 0.000 0.321 254 I C 0.442 176.599 176.117 0.067 0.000 1.289 254 I CA 0.006 61.347 61.300 0.069 0.000 1.236 254 I CB 0.018 38.057 38.000 0.065 0.000 1.076 254 I HN 0.133 nan 8.210 nan 0.000 0.418 255 K N 1.228 121.672 120.400 0.073 0.000 2.569 255 K HA 0.742 5.063 4.320 0.001 0.000 0.259 255 K C -1.459 175.194 176.600 0.087 0.000 0.932 255 K CA -0.361 55.972 56.287 0.078 0.000 0.833 255 K CB 1.411 33.951 32.500 0.066 0.000 1.340 255 K HN -0.023 nan 8.250 nan 0.000 0.429 256 V N 3.101 123.085 119.914 0.116 0.000 2.487 256 V HA 0.657 4.778 4.120 0.001 0.000 0.298 256 V C -0.335 175.841 176.094 0.137 0.000 1.028 256 V CA -0.764 61.613 62.300 0.128 0.000 0.860 256 V CB 1.186 33.116 31.823 0.179 0.000 0.991 256 V HN 0.963 nan 8.190 nan 0.000 0.427 257 E N 3.351 123.552 120.200 0.002 0.000 2.317 257 E HA 0.529 4.880 4.350 0.001 0.000 0.270 257 E C -1.101 175.283 176.600 -0.360 0.000 0.885 257 E CA -1.029 55.290 56.400 -0.135 0.000 0.760 257 E CB 2.598 32.272 29.700 -0.044 0.000 1.227 257 E HN 0.587 nan 8.360 nan 0.000 0.434 258 Q N 2.357 121.766 119.800 -0.651 0.000 2.337 258 Q HA 0.195 4.536 4.340 0.001 0.000 0.255 258 Q C 0.320 176.163 176.000 -0.262 0.000 0.997 258 Q CA -0.084 55.372 55.803 -0.578 0.000 0.925 258 Q CB 0.672 28.959 28.738 -0.751 0.000 1.212 258 Q HN 0.713 nan 8.270 nan 0.000 0.436 259 I N 2.455 122.915 120.570 -0.184 0.000 2.233 259 I HA -0.061 4.110 4.170 0.001 0.000 0.243 259 I C 0.672 176.728 176.117 -0.101 0.000 1.093 259 I CA 0.984 62.214 61.300 -0.116 0.000 1.380 259 I CB 0.210 38.153 38.000 -0.095 0.000 1.067 259 I HN 0.626 nan 8.210 nan 0.000 0.413 260 E N 0.296 120.431 120.200 -0.110 0.000 2.321 260 E HA 0.537 4.888 4.350 0.001 0.000 0.281 260 E C -1.173 175.374 176.600 -0.088 0.000 0.910 260 E CA -0.591 55.759 56.400 -0.084 0.000 0.770 260 E CB 1.746 31.403 29.700 -0.072 0.000 1.225 260 E HN 0.154 nan 8.360 nan 0.000 0.417 261 A N 2.425 125.207 122.820 -0.063 0.000 2.332 261 A HA 0.854 5.175 4.320 0.001 0.000 0.258 261 A C 0.572 178.111 177.584 -0.075 0.000 1.087 261 A CA 0.730 52.737 52.037 -0.049 0.000 0.802 261 A CB 0.730 19.725 19.000 -0.008 0.000 1.042 261 A HN 0.837 nan 8.150 nan 0.000 0.489 262 G N -1.289 107.448 108.800 -0.105 0.000 2.344 262 G HA2 0.521 4.482 3.960 0.001 0.000 0.282 262 G HA3 0.521 4.482 3.960 0.001 0.000 0.282 262 G C -0.486 174.218 174.900 -0.326 0.000 1.281 262 G CA 0.437 45.440 45.100 -0.161 0.000 0.877 262 G HN 1.847 nan 8.290 nan 0.000 0.494 263 T N -0.508 113.790 114.554 -0.427 0.000 3.446 263 T HA 0.636 4.987 4.350 0.001 0.000 0.289 263 T C -2.800 171.522 174.700 -0.630 0.000 1.203 263 T CA -0.772 60.812 62.100 -0.860 0.000 1.645 263 T CB 1.590 70.224 68.868 -0.390 0.000 0.841 263 T HN 0.577 nan 8.240 nan 0.000 0.617 264 P HA 0.564 nan 4.420 nan 0.000 0.282 264 P C 0.662 177.781 177.300 -0.301 0.000 1.259 264 P CA -0.111 62.644 63.100 -0.575 0.000 0.826 264 P CB 1.299 32.875 31.700 -0.207 0.000 1.064 265 G N 1.463 110.124 108.800 -0.231 0.000 2.509 265 G HA2 0.426 4.387 3.960 0.001 0.000 0.269 265 G HA3 0.426 4.387 3.960 0.001 0.000 0.269 265 G C -0.567 174.274 174.900 -0.098 0.000 1.416 265 G CA -0.772 44.245 45.100 -0.138 0.000 1.052 265 G HN 0.453 nan 8.290 nan 0.000 0.542 266 R N -0.823 119.623 120.500 -0.090 0.000 2.534 266 R HA 0.515 4.856 4.340 0.001 0.000 0.301 266 R C -1.088 175.159 176.300 -0.090 0.000 0.961 266 R CA -0.472 55.581 56.100 -0.077 0.000 0.871 266 R CB 1.854 32.106 30.300 -0.081 0.000 1.170 266 R HN 0.273 nan 8.270 nan 0.000 0.446 267 L N 2.237 123.428 121.223 -0.054 0.000 2.381 267 L HA 0.595 4.936 4.340 0.001 0.000 0.268 267 L C -0.119 176.744 176.870 -0.012 0.000 0.997 267 L CA -0.979 53.824 54.840 -0.062 0.000 0.818 267 L CB 2.270 44.318 42.059 -0.019 0.000 1.310 267 L HN 0.400 nan 8.230 nan 0.000 0.416 268 R N 1.903 122.383 120.500 -0.033 0.000 2.294 268 R HA 0.626 4.967 4.340 0.001 0.000 0.319 268 R C -1.585 174.746 176.300 0.052 0.000 0.984 268 R CA -0.454 55.646 56.100 -0.000 0.000 0.861 268 R CB 1.577 31.859 30.300 -0.031 0.000 1.104 268 R HN 0.463 nan 8.270 nan 0.000 0.451 269 V N 5.716 125.700 119.914 0.117 0.000 2.384 269 V HA 0.282 4.403 4.120 0.001 0.000 0.287 269 V C -0.252 175.895 176.094 0.090 0.000 1.020 269 V CA -0.741 61.629 62.300 0.117 0.000 0.850 269 V CB 1.759 33.667 31.823 0.143 0.000 0.987 269 V HN 0.517 nan 8.190 nan 0.000 0.436 270 V N 4.615 124.571 119.914 0.071 0.000 2.394 270 V HA 0.824 4.945 4.120 0.001 0.000 0.282 270 V C 0.401 176.547 176.094 0.087 0.000 1.031 270 V CA -0.231 62.109 62.300 0.066 0.000 0.881 270 V CB 1.451 33.308 31.823 0.056 0.000 0.982 270 V HN 0.987 nan 8.190 nan 0.000 0.451 271 A N 4.481 127.366 122.820 0.109 0.000 2.401 271 A HA 0.807 5.128 4.320 0.001 0.000 0.310 271 A C -0.767 176.993 177.584 0.294 0.000 1.075 271 A CA -0.690 51.457 52.037 0.183 0.000 0.746 271 A CB 1.799 20.905 19.000 0.178 0.000 1.277 271 A HN 0.765 nan 8.150 nan 0.000 0.425 272 Q N 1.056 121.018 119.800 0.271 0.000 2.309 272 Q HA 0.569 4.910 4.340 0.001 0.000 0.264 272 Q C 0.045 176.035 176.000 -0.018 0.000 1.008 272 Q CA -0.456 55.457 55.803 0.184 0.000 0.853 272 Q CB 1.600 30.381 28.738 0.071 0.000 1.314 272 Q HN 0.888 nan 8.270 nan 0.000 0.448 273 S N 1.496 116.995 115.700 -0.335 0.000 2.576 273 S HA -0.007 4.463 4.470 0.001 0.000 0.272 273 S C 0.799 175.156 174.600 -0.405 0.000 1.352 273 S CA 0.400 58.083 58.200 -0.862 0.000 1.021 273 S CB 0.931 63.755 63.200 -0.626 0.000 0.887 273 S HN 0.812 nan 8.310 nan 0.000 0.542 274 T N 1.598 115.918 114.554 -0.389 0.000 3.035 274 T HA 0.055 4.406 4.350 0.001 0.000 0.259 274 T C 1.127 175.744 174.700 -0.137 0.000 1.078 274 T CA 1.186 63.170 62.100 -0.193 0.000 1.132 274 T CB -0.436 68.341 68.868 -0.151 0.000 0.900 274 T HN 0.847 nan 8.240 nan 0.000 0.480 275 N N 0.262 118.869 118.700 -0.156 0.000 2.159 275 N HA 0.184 4.925 4.740 0.001 0.000 0.217 275 N C 0.092 175.551 175.510 -0.085 0.000 1.223 275 N CA -0.161 52.830 53.050 -0.098 0.000 0.896 275 N CB 0.659 39.098 38.487 -0.081 0.000 1.064 275 N HN 0.293 nan 8.380 nan 0.000 0.518 276 S N -2.442 113.194 115.700 -0.106 0.000 2.776 276 S HA 0.664 5.135 4.470 0.001 0.000 0.292 276 S C 0.389 174.953 174.600 -0.059 0.000 1.187 276 S CA -0.159 58.000 58.200 -0.068 0.000 0.834 276 S CB 0.639 63.806 63.200 -0.055 0.000 1.199 276 S HN 0.024 nan 8.310 nan 0.000 0.514 277 E N -0.598 119.587 120.200 -0.025 0.000 2.479 277 E HA 0.244 4.595 4.350 0.001 0.000 0.193 277 E C 0.470 177.082 176.600 0.020 0.000 1.049 277 E CA 0.158 56.555 56.400 -0.005 0.000 0.870 277 E CB -0.401 29.301 29.700 0.004 0.000 0.944 277 E HN 0.666 nan 8.360 nan 0.000 0.492 278 E N -0.158 120.057 120.200 0.025 0.000 2.452 278 E HA 0.273 4.624 4.350 0.001 0.000 0.261 278 E C -0.701 176.005 176.600 0.176 0.000 0.987 278 E CA 0.012 56.469 56.400 0.095 0.000 0.926 278 E CB 0.312 30.092 29.700 0.133 0.000 0.934 278 E HN 0.411 nan 8.360 nan 0.000 0.452 279 I N 5.821 126.498 120.570 0.178 0.000 2.509 279 I HA 0.376 4.547 4.170 0.001 0.000 0.293 279 I C -0.132 176.076 176.117 0.150 0.000 1.020 279 I CA -0.760 60.655 61.300 0.193 0.000 1.088 279 I CB 1.554 39.619 38.000 0.109 0.000 1.267 279 I HN 0.451 nan 8.210 nan 0.000 0.430 280 I N 2.010 122.646 120.570 0.111 0.000 2.785 280 I HA 0.675 4.846 4.170 0.001 0.000 0.302 280 I C -1.192 174.911 176.117 -0.023 0.000 1.069 280 I CA -0.576 60.707 61.300 -0.029 0.000 1.045 280 I CB 2.323 40.185 38.000 -0.230 0.000 1.236 280 I HN 0.503 nan 8.210 nan 0.000 0.429 281 E N 2.602 122.782 120.200 -0.033 0.000 2.277 281 E HA 0.786 5.136 4.350 0.001 0.000 0.266 281 E C -0.690 175.886 176.600 -0.040 0.000 0.901 281 E CA -1.173 55.217 56.400 -0.015 0.000 0.782 281 E CB 2.573 32.264 29.700 -0.016 0.000 1.228 281 E HN 0.974 nan 8.360 nan 0.000 0.424 282 G N 1.035 109.824 108.800 -0.018 0.000 2.718 282 G HA2 0.418 4.379 3.960 0.001 0.000 0.295 282 G HA3 0.418 4.379 3.960 0.001 0.000 0.295 282 G C -1.423 173.333 174.900 -0.239 0.000 1.421 282 G CA -0.732 44.278 45.100 -0.151 0.000 0.902 282 G HN 0.430 nan 8.290 nan 0.000 0.501 283 E N 0.300 120.197 120.200 -0.504 0.000 2.183 283 E HA 0.591 4.942 4.350 0.001 0.000 0.271 283 E C -1.490 174.678 176.600 -0.721 0.000 0.919 283 E CA -0.671 55.489 56.400 -0.399 0.000 0.781 283 E CB 2.357 31.916 29.700 -0.235 0.000 1.140 283 E HN 0.489 nan 8.360 nan 0.000 0.402 284 Y N 0.579 120.843 120.300 -0.060 0.000 2.605 284 Y HA 0.223 4.774 4.550 0.001 0.000 0.343 284 Y C 0.874 176.739 175.900 -0.059 0.000 1.036 284 Y CA -0.879 57.186 58.100 -0.059 0.000 1.065 284 Y CB 1.527 39.953 38.460 -0.056 0.000 1.288 284 Y HN 0.438 nan 8.280 nan 0.000 0.481 285 N N -0.654 118.104 118.700 0.097 0.000 2.207 285 N HA 0.034 4.774 4.740 0.001 0.000 0.182 285 N C -0.463 175.078 175.510 0.051 0.000 1.020 285 N CA 1.091 54.158 53.050 0.029 0.000 0.858 285 N CB 0.308 38.793 38.487 -0.005 0.000 0.991 285 N HN 0.474 nan 8.380 nan 0.000 0.427 286 T N 0.135 114.731 114.554 0.070 0.000 2.912 286 T HA 0.505 4.855 4.350 0.001 0.000 0.299 286 T C -1.197 173.503 174.700 -0.000 0.000 1.052 286 T CA -0.584 61.545 62.100 0.050 0.000 0.996 286 T CB 2.768 71.652 68.868 0.027 0.000 1.070 286 T HN -0.349 nan 8.240 nan 0.000 0.465 287 V N 3.648 123.557 119.914 -0.008 0.000 2.443 287 V HA 0.518 4.638 4.120 0.001 0.000 0.293 287 V C -0.350 175.706 176.094 -0.064 0.000 1.021 287 V CA -0.741 61.513 62.300 -0.076 0.000 0.848 287 V CB 1.553 33.353 31.823 -0.038 0.000 0.998 287 V HN 0.883 nan 8.190 nan 0.000 0.424 288 M N 5.974 125.503 119.600 -0.117 0.000 2.268 288 M HA 0.584 5.065 4.480 0.001 0.000 0.344 288 M C -1.523 174.698 176.300 -0.131 0.000 1.106 288 M CA -0.580 54.649 55.300 -0.118 0.000 1.010 288 M CB 1.329 33.843 32.600 -0.144 0.000 1.649 288 M HN 0.519 nan 8.290 nan 0.000 0.443 289 L N 5.255 126.392 121.223 -0.143 0.000 2.264 289 L HA 0.525 4.866 4.340 0.001 0.000 0.287 289 L C -0.124 176.640 176.870 -0.177 0.000 1.039 289 L CA -0.497 54.244 54.840 -0.165 0.000 0.829 289 L CB 1.237 43.157 42.059 -0.232 0.000 1.211 289 L HN 0.905 nan 8.230 nan 0.000 0.427 290 A N 5.525 128.263 122.820 -0.136 0.000 3.165 290 A HA 0.406 4.727 4.320 0.001 0.000 0.331 290 A C 0.533 178.060 177.584 -0.095 0.000 1.034 290 A CA -0.389 51.575 52.037 -0.122 0.000 0.906 290 A CB -0.202 18.727 19.000 -0.117 0.000 1.054 290 A HN 0.813 nan 8.150 nan 0.000 0.484 291 I N -2.404 118.113 120.570 -0.089 0.000 3.889 291 I HA 0.618 4.788 4.170 0.001 0.000 0.332 291 I C 0.511 176.607 176.117 -0.036 0.000 1.493 291 I CA 0.129 61.399 61.300 -0.051 0.000 1.158 291 I CB 0.047 38.026 38.000 -0.036 0.000 1.117 291 I HN 0.565 nan 8.210 nan 0.000 0.411 292 G N 1.598 110.368 108.800 -0.049 0.000 2.462 292 G HA2 0.016 3.976 3.960 0.001 0.000 0.685 292 G HA3 0.016 3.976 3.960 0.001 0.000 0.685 292 G C -1.098 173.794 174.900 -0.014 0.000 1.295 292 G CA -1.094 43.992 45.100 -0.024 0.000 0.941 292 G HN 0.428 nan 8.290 nan 0.000 0.554 293 R N -0.173 120.336 120.500 0.015 0.000 2.725 293 R HA 0.575 4.915 4.340 0.001 0.000 0.277 293 R C -1.655 174.677 176.300 0.053 0.000 0.987 293 R CA -1.022 55.100 56.100 0.036 0.000 0.901 293 R CB 2.135 32.463 30.300 0.047 0.000 1.207 293 R HN 0.491 nan 8.270 nan 0.000 0.463 294 D N 1.179 121.620 120.400 0.068 0.000 2.256 294 D HA 0.306 4.946 4.640 0.001 0.000 0.246 294 D C -0.423 175.924 176.300 0.078 0.000 1.042 294 D CA -0.385 53.658 54.000 0.071 0.000 0.841 294 D CB 2.024 42.871 40.800 0.078 0.000 1.223 294 D HN 0.592 nan 8.370 nan 0.000 0.470 295 A N 1.390 124.250 122.820 0.067 0.000 2.477 295 A HA 0.126 4.447 4.320 0.001 0.000 0.246 295 A C 0.493 178.123 177.584 0.077 0.000 1.078 295 A CA -0.248 51.830 52.037 0.068 0.000 0.770 295 A CB 0.066 19.097 19.000 0.052 0.000 1.011 295 A HN 0.729 nan 8.150 nan 0.000 0.494 296 C N 3.043 122.394 119.300 0.085 0.000 2.865 296 C HA 0.323 4.784 4.460 0.001 0.000 0.545 296 C C 1.754 176.791 174.990 0.077 0.000 1.154 296 C CA 0.296 59.371 59.018 0.096 0.000 1.375 296 C CB -2.204 25.604 27.740 0.113 0.000 1.627 296 C HN 0.917 nan 8.230 nan 0.000 0.623 297 T N -2.934 111.661 114.554 0.068 0.000 3.040 297 T HA 0.099 4.450 4.350 0.001 0.000 0.266 297 T C 1.697 176.432 174.700 0.059 0.000 1.005 297 T CA -0.056 62.078 62.100 0.056 0.000 0.906 297 T CB 0.045 68.937 68.868 0.041 0.000 1.082 297 T HN 0.418 nan 8.240 nan 0.000 0.531 298 R N 1.609 122.150 120.500 0.068 0.000 2.140 298 R HA 0.162 4.503 4.340 0.001 0.000 0.213 298 R C 0.863 177.208 176.300 0.074 0.000 1.059 298 R CA 0.435 56.571 56.100 0.061 0.000 1.000 298 R CB -0.083 30.251 30.300 0.056 0.000 0.910 298 R HN 0.246 nan 8.270 nan 0.000 0.455 299 K N 1.255 121.719 120.400 0.106 0.000 2.861 299 K HA 0.308 4.629 4.320 0.001 0.000 0.210 299 K C 0.911 177.618 176.600 0.178 0.000 1.112 299 K CA -0.043 56.324 56.287 0.134 0.000 1.076 299 K CB -0.257 32.329 32.500 0.142 0.000 0.853 299 K HN 0.405 nan 8.250 nan 0.000 0.463 300 I N -3.956 116.682 120.570 0.114 0.000 3.833 300 I HA 0.485 4.656 4.170 0.001 0.000 0.328 300 I C 0.845 177.041 176.117 0.131 0.000 1.554 300 I CA -0.298 61.041 61.300 0.066 0.000 1.116 300 I CB 0.578 38.571 38.000 -0.012 0.000 1.182 300 I HN 0.298 nan 8.210 nan 0.000 0.459 301 G N 2.120 110.996 108.800 0.126 0.000 2.176 301 G HA2 -0.270 3.691 3.960 0.001 0.000 0.252 301 G HA3 -0.270 3.691 3.960 0.001 0.000 0.252 301 G C 0.617 175.593 174.900 0.126 0.000 1.024 301 G CA 0.585 45.767 45.100 0.138 0.000 0.755 301 G HN 0.495 nan 8.290 nan 0.000 0.507 302 L N -0.580 120.688 121.223 0.075 0.000 2.187 302 L HA -0.103 4.238 4.340 0.001 0.000 0.213 302 L C 2.779 179.590 176.870 -0.097 0.000 1.100 302 L CA 2.025 56.831 54.840 -0.057 0.000 0.765 302 L CB -0.371 41.658 42.059 -0.050 0.000 0.904 302 L HN 0.438 nan 8.230 nan 0.000 0.437 303 E N -0.383 119.794 120.200 -0.039 0.000 2.110 303 E HA -0.201 4.150 4.350 0.001 0.000 0.193 303 E C 2.043 178.615 176.600 -0.046 0.000 0.988 303 E CA 1.692 58.068 56.400 -0.040 0.000 0.804 303 E CB -0.973 28.719 29.700 -0.013 0.000 0.745 303 E HN 0.510 nan 8.360 nan 0.000 0.458 304 T N -2.023 112.515 114.554 -0.027 0.000 3.051 304 T HA -0.011 4.340 4.350 0.001 0.000 0.269 304 T C 1.659 176.324 174.700 -0.057 0.000 1.127 304 T CA 0.844 62.936 62.100 -0.014 0.000 1.107 304 T CB 0.004 68.895 68.868 0.037 0.000 0.898 304 T HN 0.101 nan 8.240 nan 0.000 0.517 305 V N -0.437 119.384 119.914 -0.154 0.000 3.451 305 V HA 0.552 4.672 4.120 0.001 0.000 0.288 305 V C 1.549 177.499 176.094 -0.240 0.000 1.502 305 V CA 0.554 62.706 62.300 -0.245 0.000 1.026 305 V CB 0.271 31.747 31.823 -0.578 0.000 0.840 305 V HN 0.753 nan 8.190 nan 0.000 0.437 306 G N 0.623 109.308 108.800 -0.191 0.000 2.141 306 G HA2 -0.195 3.765 3.960 0.001 0.000 0.231 306 G HA3 -0.195 3.765 3.960 0.001 0.000 0.231 306 G C 0.151 174.943 174.900 -0.181 0.000 0.984 306 G CA 0.164 45.174 45.100 -0.151 0.000 0.660 306 G HN 0.546 nan 8.290 nan 0.000 0.525 307 V N 1.564 121.337 119.914 -0.235 0.000 2.470 307 V HA 0.267 4.388 4.120 0.001 0.000 0.276 307 V C 0.960 176.969 176.094 -0.141 0.000 1.040 307 V CA 0.096 62.262 62.300 -0.223 0.000 1.008 307 V CB 1.144 32.803 31.823 -0.272 0.000 0.990 307 V HN 0.319 nan 8.190 nan 0.000 0.477 308 K N 5.979 126.307 120.400 -0.120 0.000 2.249 308 K HA 0.610 4.930 4.320 0.001 0.000 0.280 308 K C -0.264 176.294 176.600 -0.070 0.000 1.033 308 K CA -0.233 56.004 56.287 -0.083 0.000 0.946 308 K CB 1.295 33.750 32.500 -0.075 0.000 1.005 308 K HN 0.746 nan 8.250 nan 0.000 0.469 309 I N -1.087 119.453 120.570 -0.050 0.000 3.042 309 I HA 0.372 4.543 4.170 0.001 0.000 0.310 309 I C -0.586 175.514 176.117 -0.027 0.000 1.117 309 I CA -1.124 60.154 61.300 -0.036 0.000 1.003 309 I CB 1.977 39.963 38.000 -0.023 0.000 1.228 309 I HN 0.388 nan 8.210 nan 0.000 0.443 310 N N 3.283 121.970 118.700 -0.021 0.000 2.405 310 N HA 0.043 4.784 4.740 0.001 0.000 0.260 310 N C 0.560 176.066 175.510 -0.007 0.000 1.152 310 N CA 0.252 53.293 53.050 -0.015 0.000 0.948 310 N CB 0.852 39.331 38.487 -0.014 0.000 1.111 310 N HN 0.661 nan 8.380 nan 0.000 0.485 311 E N 3.246 123.442 120.200 -0.007 0.000 2.204 311 E HA -0.171 4.180 4.350 0.001 0.000 0.194 311 E C 1.258 177.860 176.600 0.004 0.000 0.989 311 E CA 0.750 57.150 56.400 -0.001 0.000 0.824 311 E CB 0.241 29.939 29.700 -0.003 0.000 0.756 311 E HN 0.692 nan 8.360 nan 0.000 0.477 312 K N 0.572 120.974 120.400 0.003 0.000 1.984 312 K HA -0.109 4.212 4.320 0.001 0.000 0.209 312 K C 2.150 178.756 176.600 0.011 0.000 1.046 312 K CA 1.979 58.270 56.287 0.007 0.000 0.934 312 K CB -0.102 32.401 32.500 0.004 0.000 0.717 312 K HN 0.143 nan 8.250 nan 0.000 0.438 313 T N -3.511 111.048 114.554 0.009 0.000 3.067 313 T HA 0.186 4.537 4.350 0.001 0.000 0.257 313 T C 1.408 176.119 174.700 0.019 0.000 1.105 313 T CA 0.809 62.917 62.100 0.014 0.000 1.104 313 T CB 0.259 69.133 68.868 0.009 0.000 0.925 313 T HN 0.516 nan 8.240 nan 0.000 0.498 314 G N 1.472 110.281 108.800 0.015 0.000 2.225 314 G HA2 -0.236 3.725 3.960 0.001 0.000 0.254 314 G HA3 -0.236 3.725 3.960 0.001 0.000 0.254 314 G C 0.192 175.102 174.900 0.016 0.000 0.988 314 G CA 0.181 45.293 45.100 0.020 0.000 0.625 314 G HN 0.616 nan 8.290 nan 0.000 0.527 315 K N 0.329 120.735 120.400 0.009 0.000 2.180 315 K HA 0.564 4.885 4.320 0.001 0.000 0.251 315 K C 0.629 177.223 176.600 -0.009 0.000 1.014 315 K CA -0.362 55.927 56.287 0.003 0.000 0.913 315 K CB 0.826 33.324 32.500 -0.004 0.000 1.008 315 K HN 0.349 nan 8.250 nan 0.000 0.490 316 I N 4.084 124.646 120.570 -0.014 0.000 2.330 316 I HA 0.169 4.340 4.170 0.001 0.000 0.289 316 I C -2.031 174.062 176.117 -0.041 0.000 1.001 316 I CA -2.330 58.953 61.300 -0.027 0.000 1.193 316 I CB 1.648 39.634 38.000 -0.022 0.000 1.345 316 I HN 0.226 nan 8.210 nan 0.000 0.461 317 P HA 0.206 nan 4.420 nan 0.000 0.271 317 P C -0.692 176.569 177.300 -0.064 0.000 1.218 317 P CA -0.108 62.958 63.100 -0.057 0.000 0.780 317 P CB 1.918 33.585 31.700 -0.055 0.000 0.901 318 V N 1.263 121.139 119.914 -0.064 0.000 3.120 318 V HA 0.384 4.505 4.120 0.001 0.000 0.303 318 V C 0.197 176.262 176.094 -0.048 0.000 1.238 318 V CA -0.476 61.790 62.300 -0.057 0.000 1.008 318 V CB 2.463 34.263 31.823 -0.038 0.000 1.064 318 V HN 0.831 nan 8.190 nan 0.000 0.434 319 T N -0.077 114.457 114.554 -0.033 0.000 2.754 319 T HA 0.156 4.506 4.350 0.001 0.000 0.286 319 T C 0.878 175.587 174.700 0.015 0.000 0.997 319 T CA 0.437 62.529 62.100 -0.013 0.000 0.982 319 T CB 0.623 69.486 68.868 -0.008 0.000 1.027 319 T HN 0.881 nan 8.240 nan 0.000 0.529 320 D N -1.064 119.352 120.400 0.026 0.000 2.392 320 D HA -0.082 4.559 4.640 0.001 0.000 0.228 320 D C 0.986 177.344 176.300 0.096 0.000 1.003 320 D CA 0.591 54.630 54.000 0.064 0.000 0.917 320 D CB -0.257 40.577 40.800 0.056 0.000 0.890 320 D HN 0.841 nan 8.370 nan 0.000 0.532 321 E N -0.351 119.901 120.200 0.086 0.000 2.603 321 E HA 0.067 4.418 4.350 0.001 0.000 0.211 321 E C -0.451 176.246 176.600 0.162 0.000 0.995 321 E CA -0.177 56.287 56.400 0.107 0.000 0.990 321 E CB 0.206 29.961 29.700 0.092 0.000 1.036 321 E HN -0.047 nan 8.360 nan 0.000 0.475 322 E N 0.339 120.626 120.200 0.145 0.000 2.971 322 E HA -0.262 4.089 4.350 0.001 0.000 0.278 322 E C -0.358 176.355 176.600 0.190 0.000 1.009 322 E CA 0.720 57.220 56.400 0.166 0.000 0.862 322 E CB -1.128 28.690 29.700 0.196 0.000 1.436 322 E HN 0.318 nan 8.360 nan 0.000 0.434 323 Q N 0.756 120.598 119.800 0.069 0.000 2.256 323 Q HA 0.375 4.716 4.340 0.001 0.000 0.254 323 Q C 0.446 176.317 176.000 -0.214 0.000 0.916 323 Q CA 0.120 55.794 55.803 -0.215 0.000 0.932 323 Q CB 0.894 29.501 28.738 -0.217 0.000 1.207 323 Q HN 0.287 nan 8.270 nan 0.000 0.426 324 T N 0.074 114.447 114.554 -0.301 0.000 2.729 324 T HA 0.058 4.409 4.350 0.001 0.000 0.298 324 T C 1.304 175.866 174.700 -0.231 0.000 1.013 324 T CA -0.076 61.887 62.100 -0.228 0.000 0.957 324 T CB 0.356 69.075 68.868 -0.247 0.000 1.130 324 T HN 0.824 nan 8.240 nan 0.000 0.526 325 N N -0.304 118.284 118.700 -0.187 0.000 2.443 325 N HA -0.088 4.653 4.740 0.001 0.000 0.184 325 N C 0.161 175.556 175.510 -0.193 0.000 1.037 325 N CA 0.417 53.370 53.050 -0.161 0.000 0.896 325 N CB -0.552 37.861 38.487 -0.124 0.000 0.959 325 N HN 0.397 nan 8.380 nan 0.000 0.442 326 V N 2.693 122.438 119.914 -0.283 0.000 2.348 326 V HA 0.180 4.301 4.120 0.001 0.000 0.270 326 V C -1.363 174.484 176.094 -0.411 0.000 1.037 326 V CA -1.322 60.770 62.300 -0.346 0.000 0.872 326 V CB 1.513 33.028 31.823 -0.513 0.000 1.002 326 V HN -0.026 nan 8.190 nan 0.000 0.464 327 P HA -0.184 nan 4.420 nan 0.000 0.216 327 P C 1.218 178.388 177.300 -0.218 0.000 1.150 327 P CA 1.553 64.547 63.100 -0.176 0.000 0.843 327 P CB -0.013 31.693 31.700 0.010 0.000 0.787 328 Y N -2.198 118.029 120.300 -0.123 0.000 2.490 328 Y HA 0.344 4.895 4.550 0.001 0.000 0.281 328 Y C 0.502 176.425 175.900 0.038 0.000 1.174 328 Y CA -0.564 57.545 58.100 0.014 0.000 1.295 328 Y CB -0.823 37.654 38.460 0.030 0.000 1.062 328 Y HN -0.175 nan 8.280 nan 0.000 0.522 329 I N 1.429 121.633 120.570 -0.609 0.000 2.378 329 I HA 0.292 4.463 4.170 0.001 0.000 0.291 329 I C -1.219 174.650 176.117 -0.414 0.000 0.992 329 I CA -0.927 60.154 61.300 -0.365 0.000 1.154 329 I CB 0.995 38.652 38.000 -0.571 0.000 1.315 329 I HN -0.066 nan 8.210 nan 0.000 0.448 330 Y N 4.128 124.423 120.300 -0.009 0.000 2.549 330 Y HA 0.803 5.354 4.550 0.001 0.000 0.339 330 Y C 0.210 176.125 175.900 0.025 0.000 1.053 330 Y CA -0.896 57.205 58.100 0.001 0.000 1.105 330 Y CB 2.004 40.476 38.460 0.019 0.000 1.258 330 Y HN 0.554 nan 8.280 nan 0.000 0.478 331 A N 2.585 125.502 122.820 0.161 0.000 2.475 331 A HA 0.909 5.230 4.320 0.001 0.000 0.301 331 A C -1.167 176.487 177.584 0.116 0.000 1.059 331 A CA -0.674 51.430 52.037 0.113 0.000 0.710 331 A CB 1.099 20.131 19.000 0.054 0.000 1.288 331 A HN 0.741 nan 8.150 nan 0.000 0.408 332 I N -1.468 119.163 120.570 0.102 0.000 3.074 332 I HA 0.953 5.124 4.170 0.001 0.000 0.310 332 I C 0.350 176.520 176.117 0.089 0.000 1.153 332 I CA -0.418 60.944 61.300 0.104 0.000 0.993 332 I CB 1.983 40.045 38.000 0.103 0.000 1.237 332 I HN 1.879 nan 8.210 nan 0.000 0.443 333 G N 2.653 111.515 108.800 0.103 0.000 2.512 333 G HA2 -0.189 3.772 3.960 0.001 0.000 0.210 333 G HA3 -0.189 3.772 3.960 0.001 0.000 0.210 333 G C -0.185 174.766 174.900 0.085 0.000 1.295 333 G CA 0.327 45.482 45.100 0.092 0.000 0.934 333 G HN 0.758 nan 8.290 nan 0.000 0.554 334 D N -0.168 120.281 120.400 0.081 0.000 2.221 334 D HA -0.068 4.573 4.640 0.001 0.000 0.204 334 D C 2.617 178.953 176.300 0.060 0.000 0.982 334 D CA 0.964 55.010 54.000 0.078 0.000 0.857 334 D CB -0.075 40.778 40.800 0.088 0.000 0.934 334 D HN 0.306 nan 8.370 nan 0.000 0.475 335 I N 0.657 121.261 120.570 0.057 0.000 2.315 335 I HA -0.189 3.982 4.170 0.001 0.000 0.251 335 I C 0.876 177.008 176.117 0.024 0.000 1.125 335 I CA 0.362 61.689 61.300 0.044 0.000 1.392 335 I CB -0.920 37.109 38.000 0.048 0.000 1.065 335 I HN 0.002 nan 8.210 nan 0.000 0.424 336 L N 0.711 121.944 121.223 0.017 0.000 2.461 336 L HA 0.002 4.342 4.340 0.001 0.000 0.272 336 L C 0.944 177.791 176.870 -0.038 0.000 1.197 336 L CA 0.442 55.270 54.840 -0.019 0.000 0.836 336 L CB -0.302 41.731 42.059 -0.043 0.000 1.105 336 L HN 0.188 nan 8.230 nan 0.000 0.477 337 E N 2.560 122.728 120.200 -0.054 0.000 2.259 337 E HA 0.058 4.409 4.350 0.001 0.000 0.281 337 E C -0.591 175.957 176.600 -0.086 0.000 1.037 337 E CA -0.362 56.005 56.400 -0.055 0.000 0.854 337 E CB 0.291 29.962 29.700 -0.049 0.000 1.051 337 E HN 0.558 nan 8.360 nan 0.000 0.409 338 D N 2.937 123.294 120.400 -0.071 0.000 2.723 338 D HA -0.175 4.466 4.640 0.001 0.000 0.236 338 D C -0.308 175.908 176.300 -0.141 0.000 1.138 338 D CA 0.919 54.869 54.000 -0.084 0.000 0.676 338 D CB -0.450 40.305 40.800 -0.076 0.000 1.069 338 D HN 0.414 nan 8.370 nan 0.000 0.430 339 K N -0.908 119.399 120.400 -0.155 0.000 1.932 339 K HA 0.693 5.014 4.320 0.001 0.000 0.262 339 K C 0.361 176.930 176.600 -0.053 0.000 0.987 339 K CA -0.508 55.630 56.287 -0.247 0.000 1.217 339 K CB 0.688 32.914 32.500 -0.457 0.000 2.659 339 K HN -0.077 nan 8.250 nan 0.000 0.982 340 V N 1.836 121.793 119.914 0.071 0.000 2.531 340 V HA 0.257 4.378 4.120 0.001 0.000 0.301 340 V C -0.631 175.534 176.094 0.119 0.000 1.034 340 V CA -0.642 61.724 62.300 0.109 0.000 0.865 340 V CB 1.431 33.349 31.823 0.158 0.000 0.995 340 V HN 0.527 nan 8.190 nan 0.000 0.424 341 E N 5.218 125.476 120.200 0.095 0.000 2.122 341 E HA 0.495 4.846 4.350 0.001 0.000 0.288 341 E C -0.947 175.726 176.600 0.122 0.000 1.260 341 E CA 0.037 56.505 56.400 0.114 0.000 1.344 341 E CB 0.323 30.099 29.700 0.127 0.000 1.337 341 E HN 0.513 nan 8.360 nan 0.000 0.484 342 L N -0.222 121.060 121.223 0.099 0.000 2.388 342 L HA 0.305 4.646 4.340 0.001 0.000 0.264 342 L C 1.391 178.303 176.870 0.070 0.000 0.998 342 L CA -0.667 54.220 54.840 0.079 0.000 0.817 342 L CB 1.947 44.030 42.059 0.040 0.000 1.338 342 L HN 0.109 nan 8.230 nan 0.000 0.414 343 T N 1.089 115.682 114.554 0.065 0.000 2.635 343 T HA -0.093 4.258 4.350 0.001 0.000 0.267 343 T C -1.120 173.601 174.700 0.036 0.000 1.040 343 T CA 1.956 64.087 62.100 0.052 0.000 1.156 343 T CB -0.596 68.302 68.868 0.050 0.000 0.863 343 T HN 0.496 nan 8.240 nan 0.000 0.430 344 P HA 0.060 nan 4.420 nan 0.000 0.223 344 P C 1.475 178.768 177.300 -0.012 0.000 1.151 344 P CA 0.446 63.550 63.100 0.006 0.000 0.787 344 P CB -0.163 31.537 31.700 -0.001 0.000 0.788 345 V N 0.420 120.332 119.914 -0.002 0.000 2.323 345 V HA -0.194 3.927 4.120 0.001 0.000 0.244 345 V C 2.558 178.657 176.094 0.007 0.000 1.041 345 V CA 2.077 64.363 62.300 -0.023 0.000 1.025 345 V CB -1.730 30.118 31.823 0.043 0.000 0.656 345 V HN 0.094 nan 8.190 nan 0.000 0.451 346 A N 0.209 123.059 122.820 0.049 0.000 1.883 346 A HA -0.213 4.107 4.320 0.001 0.000 0.217 346 A C 2.192 179.793 177.584 0.028 0.000 1.186 346 A CA 2.150 54.221 52.037 0.056 0.000 0.624 346 A CB -0.594 18.440 19.000 0.057 0.000 0.822 346 A HN 0.509 nan 8.150 nan 0.000 0.444 347 I N -1.030 119.549 120.570 0.015 0.000 2.179 347 I HA -0.286 3.885 4.170 0.001 0.000 0.242 347 I C 2.786 178.899 176.117 -0.006 0.000 1.088 347 I CA 1.856 63.161 61.300 0.009 0.000 1.357 347 I CB -0.342 37.666 38.000 0.013 0.000 1.051 347 I HN 0.435 nan 8.210 nan 0.000 0.409 348 Q N 1.278 121.060 119.800 -0.030 0.000 2.084 348 Q HA -0.184 4.156 4.340 0.001 0.000 0.202 348 Q C 2.155 178.121 176.000 -0.056 0.000 0.978 348 Q CA 2.259 58.029 55.803 -0.056 0.000 0.844 348 Q CB -0.279 28.397 28.738 -0.103 0.000 0.898 348 Q HN 0.494 nan 8.270 nan 0.000 0.426 349 A N -0.284 122.505 122.820 -0.052 0.000 1.902 349 A HA -0.045 4.276 4.320 0.001 0.000 0.217 349 A C 2.275 179.868 177.584 0.014 0.000 1.181 349 A CA 1.620 53.650 52.037 -0.012 0.000 0.623 349 A CB -1.355 17.684 19.000 0.064 0.000 0.818 349 A HN 0.563 nan 8.150 nan 0.000 0.443 350 G N -0.794 108.017 108.800 0.019 0.000 2.404 350 G HA2 -0.189 3.771 3.960 0.001 0.000 0.215 350 G HA3 -0.189 3.771 3.960 0.001 0.000 0.215 350 G C 1.772 176.684 174.900 0.021 0.000 1.174 350 G CA 0.800 45.913 45.100 0.022 0.000 0.780 350 G HN 0.515 nan 8.290 nan 0.000 0.537 351 R N -0.261 120.250 120.500 0.020 0.000 2.082 351 R HA -0.002 4.339 4.340 0.001 0.000 0.234 351 R C 2.679 178.998 176.300 0.030 0.000 1.136 351 R CA 1.358 57.478 56.100 0.034 0.000 0.935 351 R CB -0.595 29.718 30.300 0.022 0.000 0.842 351 R HN 0.323 nan 8.270 nan 0.000 0.430 352 L N 0.562 121.786 121.223 0.001 0.000 2.141 352 L HA -0.182 4.159 4.340 0.001 0.000 0.209 352 L C 2.425 179.276 176.870 -0.032 0.000 1.094 352 L CA 0.435 55.267 54.840 -0.013 0.000 0.763 352 L CB -0.375 41.666 42.059 -0.030 0.000 0.908 352 L HN 0.216 nan 8.230 nan 0.000 0.437 353 L N 0.306 121.506 121.223 -0.039 0.000 2.027 353 L HA -0.115 4.226 4.340 0.001 0.000 0.206 353 L C 2.654 179.433 176.870 -0.151 0.000 1.074 353 L CA 2.047 56.826 54.840 -0.102 0.000 0.745 353 L CB -0.839 41.161 42.059 -0.099 0.000 0.898 353 L HN 0.121 nan 8.230 nan 0.000 0.433 354 A N -1.016 121.778 122.820 -0.044 0.000 1.940 354 A HA -0.282 4.039 4.320 0.001 0.000 0.219 354 A C 2.219 179.822 177.584 0.033 0.000 1.176 354 A CA 2.056 54.133 52.037 0.067 0.000 0.631 354 A CB -0.621 18.503 19.000 0.208 0.000 0.814 354 A HN 0.702 nan 8.150 nan 0.000 0.446 355 Q N -1.075 118.730 119.800 0.008 0.000 2.123 355 Q HA -0.085 4.255 4.340 0.001 0.000 0.199 355 Q C 2.387 178.294 176.000 -0.156 0.000 0.966 355 Q CA 1.067 56.827 55.803 -0.071 0.000 0.845 355 Q CB -0.113 28.623 28.738 -0.004 0.000 0.907 355 Q HN 0.619 nan 8.270 nan 0.000 0.439 356 R N 0.292 120.707 120.500 -0.143 0.000 2.073 356 R HA -0.089 4.252 4.340 0.001 0.000 0.234 356 R C 2.283 178.439 176.300 -0.239 0.000 1.134 356 R CA 1.048 57.055 56.100 -0.156 0.000 0.952 356 R CB -0.246 29.980 30.300 -0.125 0.000 0.850 356 R HN 0.245 nan 8.270 nan 0.000 0.433 357 L N -1.046 119.941 121.223 -0.393 0.000 2.056 357 L HA -0.147 4.194 4.340 0.001 0.000 0.207 357 L C 1.255 177.747 176.870 -0.630 0.000 1.078 357 L CA 1.287 55.723 54.840 -0.673 0.000 0.749 357 L CB -0.052 41.273 42.059 -1.224 0.000 0.901 357 L HN 0.234 nan 8.230 nan 0.000 0.433 358 Y N -2.220 117.975 120.300 -0.175 0.000 2.563 358 Y HA 0.400 4.951 4.550 0.001 0.000 0.250 358 Y C 1.193 176.826 175.900 -0.444 0.000 1.126 358 Y CA -0.152 57.819 58.100 -0.215 0.000 1.231 358 Y CB 0.376 38.772 38.460 -0.107 0.000 1.288 358 Y HN -0.029 nan 8.280 nan 0.000 0.537 359 A N -0.764 121.819 122.820 -0.395 0.000 2.630 359 A HA 0.588 4.908 4.320 0.001 0.000 0.287 359 A C 1.630 179.077 177.584 -0.230 0.000 1.040 359 A CA 0.279 52.023 52.037 -0.488 0.000 0.971 359 A CB -0.539 17.919 19.000 -0.903 0.000 1.241 359 A HN 0.500 nan 8.150 nan 0.000 0.558 360 G N -0.013 108.691 108.800 -0.159 0.000 2.155 360 G HA2 -0.253 3.708 3.960 0.001 0.000 0.257 360 G HA3 -0.253 3.708 3.960 0.001 0.000 0.257 360 G C 0.572 175.424 174.900 -0.079 0.000 0.983 360 G CA 0.824 45.867 45.100 -0.096 0.000 0.676 360 G HN 1.425 nan 8.290 nan 0.000 0.528 361 S N -0.464 115.180 115.700 -0.093 0.000 2.593 361 S HA 0.561 5.032 4.470 0.001 0.000 0.269 361 S C 1.544 176.112 174.600 -0.053 0.000 1.334 361 S CA 1.186 59.348 58.200 -0.064 0.000 1.015 361 S CB 0.912 64.076 63.200 -0.061 0.000 0.912 361 S HN 1.224 nan 8.310 nan 0.000 0.541 362 T N 0.304 114.837 114.554 -0.035 0.000 3.145 362 T HA 0.293 4.644 4.350 0.001 0.000 0.281 362 T C -0.101 174.587 174.700 -0.019 0.000 1.003 362 T CA -0.337 61.748 62.100 -0.025 0.000 0.901 362 T CB -0.244 68.614 68.868 -0.018 0.000 1.112 362 T HN 0.303 nan 8.240 nan 0.000 0.535 363 V N 2.608 122.509 119.914 -0.023 0.000 2.508 363 V HA 0.327 4.448 4.120 0.001 0.000 0.281 363 V C 0.286 176.369 176.094 -0.019 0.000 1.041 363 V CA -0.352 61.936 62.300 -0.020 0.000 1.016 363 V CB 0.651 32.461 31.823 -0.023 0.000 0.984 363 V HN 0.400 nan 8.190 nan 0.000 0.478 364 K N 2.766 123.158 120.400 -0.012 0.000 2.139 364 K HA 0.485 4.806 4.320 0.001 0.000 0.243 364 K C -0.412 176.168 176.600 -0.033 0.000 0.983 364 K CA -0.602 55.684 56.287 -0.002 0.000 0.890 364 K CB 1.634 34.150 32.500 0.026 0.000 1.090 364 K HN 0.714 nan 8.250 nan 0.000 0.445 365 C N 1.842 121.111 119.300 -0.051 0.000 2.499 365 C HA 0.150 4.611 4.460 0.001 0.000 0.386 365 C C -0.208 174.641 174.990 -0.235 0.000 1.293 365 C CA -0.259 58.636 59.018 -0.205 0.000 1.884 365 C CB -0.571 26.964 27.740 -0.340 0.000 2.509 365 C HN 0.650 nan 8.230 nan 0.000 0.566 366 D N 3.830 124.089 120.400 -0.234 0.000 2.396 366 D HA 0.230 4.871 4.640 0.001 0.000 0.225 366 D C -0.169 176.034 176.300 -0.162 0.000 1.121 366 D CA -0.118 53.814 54.000 -0.113 0.000 0.853 366 D CB 0.316 41.077 40.800 -0.065 0.000 1.043 366 D HN 0.703 nan 8.370 nan 0.000 0.500 367 Y N 1.500 121.795 120.300 -0.009 0.000 2.461 367 Y HA 0.137 4.687 4.550 0.001 0.000 0.277 367 Y C 0.831 176.722 175.900 -0.015 0.000 1.182 367 Y CA -0.145 57.948 58.100 -0.011 0.000 1.276 367 Y CB 0.453 38.908 38.460 -0.007 0.000 1.087 367 Y HN 0.194 nan 8.280 nan 0.000 0.519 368 E N 1.106 121.366 120.200 0.100 0.000 2.249 368 E HA 0.092 4.442 4.350 0.001 0.000 0.280 368 E C -0.097 176.517 176.600 0.022 0.000 1.016 368 E CA -0.289 56.146 56.400 0.058 0.000 0.830 368 E CB 0.602 30.330 29.700 0.047 0.000 1.081 368 E HN 0.284 nan 8.360 nan 0.000 0.395 369 N N 0.405 119.115 118.700 0.017 0.000 2.725 369 N HA -0.166 4.575 4.740 0.001 0.000 0.251 369 N C -0.581 174.912 175.510 -0.028 0.000 1.031 369 N CA 0.415 53.461 53.050 -0.006 0.000 0.720 369 N CB -1.406 37.077 38.487 -0.007 0.000 0.930 369 N HN 0.163 nan 8.380 nan 0.000 0.543 370 V N 1.799 121.700 119.914 -0.021 0.000 2.470 370 V HA 0.191 4.311 4.120 0.001 0.000 0.276 370 V C -1.137 174.923 176.094 -0.057 0.000 1.040 370 V CA -0.885 61.393 62.300 -0.037 0.000 1.008 370 V CB 0.897 32.712 31.823 -0.013 0.000 0.990 370 V HN 0.153 nan 8.190 nan 0.000 0.477 371 P HA 0.355 nan 4.420 nan 0.000 0.274 371 P C -0.395 176.850 177.300 -0.091 0.000 1.231 371 P CA -0.066 62.980 63.100 -0.090 0.000 0.790 371 P CB 0.958 32.598 31.700 -0.100 0.000 0.951 372 T N -2.234 112.248 114.554 -0.120 0.000 2.883 372 T HA 0.677 5.027 4.350 0.001 0.000 0.296 372 T C -0.798 173.772 174.700 -0.217 0.000 1.117 372 T CA -0.662 61.351 62.100 -0.144 0.000 1.006 372 T CB 1.353 70.148 68.868 -0.123 0.000 1.191 372 T HN 0.328 nan 8.240 nan 0.000 0.508 373 T N 1.079 115.449 114.554 -0.305 0.000 2.991 373 T HA 0.534 4.885 4.350 0.001 0.000 0.303 373 T C -0.663 173.639 174.700 -0.662 0.000 1.015 373 T CA -0.622 61.176 62.100 -0.503 0.000 1.007 373 T CB 1.565 70.075 68.868 -0.597 0.000 1.034 373 T HN 0.670 nan 8.240 nan 0.000 0.446 374 V N 3.753 123.370 119.914 -0.496 0.000 2.406 374 V HA 0.339 4.459 4.120 0.001 0.000 0.272 374 V C -0.233 175.620 176.094 -0.401 0.000 1.043 374 V CA -0.460 61.636 62.300 -0.341 0.000 0.915 374 V CB 0.360 32.097 31.823 -0.144 0.000 0.988 374 V HN 0.906 nan 8.190 nan 0.000 0.466 375 F N 3.209 123.123 119.950 -0.060 0.000 2.871 375 F HA 0.162 4.690 4.527 0.002 0.000 0.317 375 F C 1.582 177.170 175.800 -0.354 0.000 1.193 375 F CA -0.557 57.277 58.000 -0.276 0.000 1.311 375 F CB -0.178 38.597 39.000 -0.375 0.000 1.380 375 F HN 0.585 nan 8.300 nan 0.000 0.557 376 T N -2.558 111.991 114.554 -0.007 0.000 2.748 376 T HA 0.081 4.432 4.350 0.001 0.000 0.304 376 T C -1.533 173.251 174.700 0.141 0.000 1.041 376 T CA -1.483 60.658 62.100 0.069 0.000 1.033 376 T CB 0.852 69.767 68.868 0.078 0.000 0.995 376 T HN -0.031 nan 8.240 nan 0.000 0.536 377 P HA -0.037 nan 4.420 nan 0.000 0.216 377 P C 0.259 177.674 177.300 0.192 0.000 1.154 377 P CA 0.646 63.916 63.100 0.284 0.000 0.865 377 P CB 0.001 31.872 31.700 0.285 0.000 0.789 378 L N 0.393 121.586 121.223 -0.050 0.000 2.265 378 L HA 0.228 4.569 4.340 0.001 0.000 0.289 378 L C 0.090 176.992 176.870 0.054 0.000 1.033 378 L CA -0.738 54.037 54.840 -0.110 0.000 0.814 378 L CB 0.065 41.765 42.059 -0.598 0.000 1.203 378 L HN -0.076 nan 8.230 nan 0.000 0.423 379 E N 3.694 123.997 120.200 0.172 0.000 2.383 379 E HA 0.088 4.439 4.350 0.001 0.000 0.264 379 E C -1.478 175.233 176.600 0.185 0.000 1.050 379 E CA -0.087 56.407 56.400 0.158 0.000 0.896 379 E CB 1.003 30.838 29.700 0.224 0.000 0.982 379 E HN 0.424 nan 8.360 nan 0.000 0.424 380 Y N 0.863 121.141 120.300 -0.036 0.000 2.326 380 Y HA 0.486 5.036 4.550 0.001 0.000 0.329 380 Y C -0.473 175.424 175.900 -0.004 0.000 0.973 380 Y CA -1.120 56.989 58.100 0.014 0.000 1.162 380 Y CB 1.414 39.875 38.460 0.002 0.000 1.147 380 Y HN 0.491 nan 8.280 nan 0.000 0.456 381 G N 3.569 112.299 108.800 -0.116 0.000 2.415 381 G HA2 0.748 4.709 3.960 0.001 0.000 0.327 381 G HA3 0.748 4.709 3.960 0.001 0.000 0.327 381 G C -1.664 173.077 174.900 -0.265 0.000 1.182 381 G CA -0.495 44.477 45.100 -0.214 0.000 0.924 381 G HN 0.974 nan 8.290 nan 0.000 0.470 382 A N 0.390 123.028 122.820 -0.303 0.000 2.515 382 A HA 0.753 5.073 4.320 0.001 0.000 0.298 382 A C -1.059 176.452 177.584 -0.122 0.000 1.059 382 A CA -0.644 51.255 52.037 -0.230 0.000 0.698 382 A CB 1.752 20.587 19.000 -0.275 0.000 1.289 382 A HN 1.497 nan 8.150 nan 0.000 0.404 383 C N 1.476 120.711 119.300 -0.108 0.000 2.642 383 C HA 0.810 5.271 4.460 0.001 0.000 0.344 383 C C 0.698 175.645 174.990 -0.071 0.000 1.110 383 C CA 1.236 60.202 59.018 -0.088 0.000 1.298 383 C CB 0.410 28.080 27.740 -0.116 0.000 1.827 383 C HN 2.853 nan 8.230 nan 0.000 0.467 384 G N 4.554 113.334 108.800 -0.034 0.000 2.484 384 G HA2 -0.108 3.853 3.960 0.001 0.000 0.225 384 G HA3 -0.108 3.853 3.960 0.001 0.000 0.225 384 G C -0.851 174.091 174.900 0.070 0.000 1.250 384 G CA -0.208 44.905 45.100 0.023 0.000 0.926 384 G HN 1.032 nan 8.290 nan 0.000 0.581 385 L N 1.545 122.849 121.223 0.135 0.000 2.397 385 L HA 0.489 4.829 4.340 0.001 0.000 0.271 385 L C 1.660 178.717 176.870 0.312 0.000 1.148 385 L CA 0.097 55.046 54.840 0.182 0.000 0.825 385 L CB 1.305 43.484 42.059 0.200 0.000 1.117 385 L HN 0.989 nan 8.230 nan 0.000 0.456 386 S N 1.034 116.895 115.700 0.267 0.000 2.584 386 S HA -0.001 4.470 4.470 0.001 0.000 0.270 386 S C 0.946 175.641 174.600 0.158 0.000 1.346 386 S CA -0.301 58.047 58.200 0.247 0.000 1.018 386 S CB 1.152 64.441 63.200 0.150 0.000 0.899 386 S HN 0.780 nan 8.310 nan 0.000 0.542 387 E N 1.073 121.307 120.200 0.057 0.000 2.058 387 E HA -0.237 4.114 4.350 0.001 0.000 0.194 387 E C 1.666 178.299 176.600 0.054 0.000 0.997 387 E CA 1.902 58.331 56.400 0.047 0.000 0.801 387 E CB -0.242 29.449 29.700 -0.015 0.000 0.746 387 E HN 0.862 nan 8.360 nan 0.000 0.450 388 E N 0.515 120.737 120.200 0.037 0.000 2.058 388 E HA -0.211 4.140 4.350 0.001 0.000 0.194 388 E C 2.019 178.642 176.600 0.039 0.000 0.997 388 E CA 1.435 57.854 56.400 0.032 0.000 0.801 388 E CB -0.083 29.633 29.700 0.025 0.000 0.746 388 E HN 0.033 nan 8.360 nan 0.000 0.450 389 K N 0.163 120.593 120.400 0.050 0.000 2.148 389 K HA 0.032 4.352 4.320 0.001 0.000 0.204 389 K C 1.891 178.514 176.600 0.037 0.000 1.050 389 K CA 0.988 57.294 56.287 0.033 0.000 0.942 389 K CB -0.196 32.326 32.500 0.036 0.000 0.724 389 K HN 0.170 nan 8.250 nan 0.000 0.446 390 A N 0.019 122.906 122.820 0.111 0.000 1.902 390 A HA -0.123 4.198 4.320 0.001 0.000 0.217 390 A C 2.226 179.930 177.584 0.200 0.000 1.181 390 A CA 1.675 53.846 52.037 0.223 0.000 0.623 390 A CB -0.714 18.449 19.000 0.272 0.000 0.818 390 A HN 0.093 nan 8.150 nan 0.000 0.443 391 V N 0.181 120.166 119.914 0.118 0.000 2.343 391 V HA -0.277 3.844 4.120 0.001 0.000 0.247 391 V C 2.563 178.682 176.094 0.042 0.000 1.051 391 V CA 2.325 64.677 62.300 0.086 0.000 1.036 391 V CB -0.704 31.148 31.823 0.049 0.000 0.654 391 V HN 0.796 nan 8.190 nan 0.000 0.451 392 E N 0.322 120.525 120.200 0.006 0.000 2.085 392 E HA -0.307 4.043 4.350 0.001 0.000 0.194 392 E C 2.298 178.845 176.600 -0.089 0.000 0.994 392 E CA 1.868 58.249 56.400 -0.030 0.000 0.801 392 E CB -0.073 29.609 29.700 -0.030 0.000 0.743 392 E HN 0.597 nan 8.360 nan 0.000 0.453 393 K N -0.778 119.514 120.400 -0.180 0.000 2.031 393 K HA -0.084 4.236 4.320 0.001 0.000 0.205 393 K C 1.616 177.952 176.600 -0.441 0.000 1.049 393 K CA 1.419 57.457 56.287 -0.416 0.000 0.939 393 K CB -0.048 31.999 32.500 -0.756 0.000 0.717 393 K HN 0.128 nan 8.250 nan 0.000 0.438 394 F N -0.172 119.787 119.950 0.014 0.000 2.717 394 F HA 0.311 4.839 4.527 0.001 0.000 0.297 394 F C 0.569 176.374 175.800 0.009 0.000 1.113 394 F CA 0.172 58.180 58.000 0.013 0.000 1.319 394 F CB 1.344 40.354 39.000 0.018 0.000 1.097 394 F HN 0.205 nan 8.300 nan 0.000 0.595 395 G N 1.507 110.403 108.800 0.161 0.000 3.055 395 G HA2 -0.190 3.771 3.960 0.001 0.000 0.686 395 G HA3 -0.190 3.771 3.960 0.001 0.000 0.686 395 G C 0.385 175.341 174.900 0.094 0.000 1.087 395 G CA -0.185 44.974 45.100 0.099 0.000 0.779 395 G HN 0.185 nan 8.290 nan 0.000 0.599 396 E N 0.809 121.043 120.200 0.056 0.000 2.136 396 E HA -0.247 4.104 4.350 0.001 0.000 0.202 396 E C 1.846 178.460 176.600 0.023 0.000 1.019 396 E CA 2.093 58.514 56.400 0.035 0.000 0.819 396 E CB 0.074 29.784 29.700 0.017 0.000 0.739 396 E HN 0.762 nan 8.360 nan 0.000 0.458 397 E N -0.539 119.675 120.200 0.024 0.000 2.418 397 E HA -0.061 4.290 4.350 0.001 0.000 0.197 397 E C 1.083 177.690 176.600 0.011 0.000 1.026 397 E CA 0.480 56.886 56.400 0.011 0.000 0.862 397 E CB 0.180 29.887 29.700 0.012 0.000 0.799 397 E HN 0.256 nan 8.360 nan 0.000 0.518 398 N N -0.016 118.702 118.700 0.029 0.000 2.236 398 N HA 0.046 4.787 4.740 0.001 0.000 0.196 398 N C -0.571 174.930 175.510 -0.014 0.000 1.114 398 N CA 0.106 53.165 53.050 0.015 0.000 0.859 398 N CB 1.049 39.564 38.487 0.047 0.000 0.982 398 N HN 0.064 nan 8.380 nan 0.000 0.493 399 I N 1.389 121.959 120.570 0.001 0.000 2.354 399 I HA 0.208 4.378 4.170 0.001 0.000 0.292 399 I C -0.117 175.971 176.117 -0.048 0.000 0.989 399 I CA -1.125 60.168 61.300 -0.012 0.000 1.188 399 I CB 1.594 39.621 38.000 0.045 0.000 1.342 399 I HN -0.185 nan 8.210 nan 0.000 0.457 400 E N 4.860 125.020 120.200 -0.067 0.000 2.158 400 E HA 0.566 4.917 4.350 0.001 0.000 0.271 400 E C -1.356 175.137 176.600 -0.178 0.000 0.911 400 E CA -0.403 55.899 56.400 -0.164 0.000 0.767 400 E CB 1.625 31.216 29.700 -0.181 0.000 1.120 400 E HN 0.254 nan 8.360 nan 0.000 0.405 401 V N 5.763 125.518 119.914 -0.265 0.000 2.334 401 V HA 0.300 4.421 4.120 0.001 0.000 0.281 401 V C -0.901 175.002 176.094 -0.317 0.000 1.016 401 V CA -0.657 61.525 62.300 -0.196 0.000 0.832 401 V CB 0.169 31.884 31.823 -0.180 0.000 0.999 401 V HN 0.614 nan 8.190 nan 0.000 0.439 402 Y N 5.055 125.315 120.300 -0.067 0.000 2.313 402 Y HA 0.581 5.132 4.550 0.001 0.000 0.332 402 Y C 0.747 176.627 175.900 -0.032 0.000 1.071 402 Y CA -0.249 57.828 58.100 -0.039 0.000 1.169 402 Y CB 0.867 39.319 38.460 -0.013 0.000 1.192 402 Y HN 0.810 nan 8.280 nan 0.000 0.487 403 H N -0.950 118.102 119.070 -0.031 0.000 3.008 403 H HA 0.848 5.405 4.556 0.001 0.000 0.354 403 H C -1.454 173.747 175.328 -0.212 0.000 1.252 403 H CA -1.223 54.682 56.048 -0.239 0.000 1.117 403 H CB 2.240 31.827 29.762 -0.292 0.000 1.857 403 H HN 0.513 nan 8.280 nan 0.000 0.547 404 S N 0.859 116.328 115.700 -0.386 0.000 2.558 404 S HA 0.280 4.751 4.470 0.001 0.000 0.277 404 S C -1.823 172.620 174.600 -0.262 0.000 1.143 404 S CA -0.710 57.324 58.200 -0.278 0.000 0.865 404 S CB 0.931 64.048 63.200 -0.139 0.000 1.102 404 S HN 0.549 nan 8.310 nan 0.000 0.454 405 Y N 2.634 122.931 120.300 -0.004 0.000 2.300 405 Y HA 0.609 5.159 4.550 0.001 0.000 0.328 405 Y C 0.339 176.334 175.900 0.157 0.000 1.270 405 Y CA 0.158 58.298 58.100 0.066 0.000 1.352 405 Y CB 0.830 39.301 38.460 0.018 0.000 1.286 405 Y HN 0.662 nan 8.280 nan 0.000 0.536 406 F N -1.264 118.798 119.950 0.185 0.000 2.662 406 F HA 0.550 5.077 4.527 0.001 0.000 0.312 406 F C -1.961 173.962 175.800 0.206 0.000 1.113 406 F CA -1.854 56.224 58.000 0.130 0.000 0.951 406 F CB 1.142 40.153 39.000 0.018 0.000 1.344 406 F HN 0.371 nan 8.300 nan 0.000 0.462 407 W N 4.294 125.665 121.300 0.119 0.000 2.453 407 W HA 0.641 5.302 4.660 0.001 0.000 0.310 407 W C -2.916 173.583 176.519 -0.033 0.000 1.000 407 W CA -3.349 53.990 57.345 -0.011 0.000 1.367 407 W CB 1.004 30.502 29.460 0.063 0.000 1.269 407 W HN 0.343 nan 8.180 nan 0.000 0.418 408 P HA -0.133 nan 4.420 nan 0.000 0.261 408 P C 1.088 178.151 177.300 -0.395 0.000 1.173 408 P CA 0.128 63.006 63.100 -0.371 0.000 0.760 408 P CB 0.689 31.807 31.700 -0.969 0.000 0.783 409 L N 4.498 125.581 121.223 -0.233 0.000 2.081 409 L HA -0.231 4.110 4.340 0.001 0.000 0.212 409 L C 1.718 178.504 176.870 -0.140 0.000 1.080 409 L CA 2.029 56.734 54.840 -0.225 0.000 0.754 409 L CB -0.908 41.074 42.059 -0.127 0.000 0.893 409 L HN 0.311 nan 8.230 nan 0.000 0.433 410 E N -1.410 118.776 120.200 -0.023 0.000 2.267 410 E HA -0.229 4.122 4.350 0.001 0.000 0.197 410 E C 1.499 178.355 176.600 0.428 0.000 0.998 410 E CA 1.347 57.879 56.400 0.221 0.000 0.830 410 E CB -0.291 29.546 29.700 0.228 0.000 0.751 410 E HN 0.590 nan 8.360 nan 0.000 0.491 411 W N -0.016 121.246 121.300 -0.063 0.000 3.290 411 W HA 0.159 4.820 4.660 0.002 0.000 0.287 411 W C 1.882 178.296 176.519 -0.175 0.000 1.288 411 W CA 0.802 58.137 57.345 -0.016 0.000 1.725 411 W CB -0.952 28.591 29.460 0.138 0.000 1.103 411 W HN 0.129 nan 8.180 nan 0.000 0.670 412 T N -2.567 111.794 114.554 -0.323 0.000 2.812 412 T HA -0.110 4.241 4.350 0.001 0.000 0.264 412 T C 1.845 176.451 174.700 -0.157 0.000 1.042 412 T CA 1.064 62.822 62.100 -0.569 0.000 1.140 412 T CB -0.431 67.991 68.868 -0.743 0.000 0.870 412 T HN 0.061 nan 8.240 nan 0.000 0.445 413 I N 1.991 122.452 120.570 -0.181 0.000 2.233 413 I HA -0.002 4.169 4.170 0.001 0.000 0.243 413 I C -0.567 175.439 176.117 -0.185 0.000 1.093 413 I CA 0.821 61.954 61.300 -0.277 0.000 1.380 413 I CB -0.918 36.674 38.000 -0.680 0.000 1.067 413 I HN 0.224 nan 8.210 nan 0.000 0.413 414 P HA -0.108 nan 4.420 nan 0.000 0.222 414 P C 0.463 177.816 177.300 0.088 0.000 1.147 414 P CA 0.880 63.991 63.100 0.018 0.000 0.790 414 P CB 0.063 31.818 31.700 0.091 0.000 0.780 415 S N -0.649 115.152 115.700 0.168 0.000 3.886 415 S HA -0.146 4.325 4.470 0.001 0.000 0.398 415 S C 0.015 174.791 174.600 0.293 0.000 0.931 415 S CA 0.367 58.736 58.200 0.282 0.000 1.217 415 S CB -1.515 61.782 63.200 0.162 0.000 0.874 415 S HN 0.531 nan 8.310 nan 0.000 0.521 416 R N 0.288 121.036 120.500 0.413 0.000 2.707 416 R HA 0.638 4.978 4.340 0.001 0.000 0.272 416 R C -1.025 175.529 176.300 0.422 0.000 1.011 416 R CA -0.318 55.946 56.100 0.273 0.000 0.893 416 R CB 0.679 31.037 30.300 0.097 0.000 1.233 416 R HN 0.072 nan 8.270 nan 0.000 0.464 417 D N 0.294 120.829 120.400 0.225 0.000 2.699 417 D HA -0.190 4.451 4.640 0.001 0.000 0.239 417 D C -0.785 175.664 176.300 0.249 0.000 1.136 417 D CA 1.098 55.258 54.000 0.267 0.000 0.668 417 D CB -0.992 39.964 40.800 0.259 0.000 1.060 417 D HN 0.679 nan 8.370 nan 0.000 0.429 418 N N 0.912 119.450 118.700 -0.270 0.000 2.467 418 N HA 0.147 4.888 4.740 0.001 0.000 0.262 418 N C 0.363 175.640 175.510 -0.388 0.000 1.234 418 N CA -0.016 52.543 53.050 -0.819 0.000 0.952 418 N CB 0.381 38.041 38.487 -1.379 0.000 1.158 418 N HN 0.052 nan 8.380 nan 0.000 0.463 419 N N 0.023 118.503 118.700 -0.367 0.000 2.727 419 N HA -0.203 4.538 4.740 0.001 0.000 0.249 419 N C -0.337 174.973 175.510 -0.334 0.000 1.048 419 N CA 0.846 53.621 53.050 -0.458 0.000 0.714 419 N CB -0.613 37.506 38.487 -0.615 0.000 0.959 419 N HN 0.605 nan 8.380 nan 0.000 0.544 420 K N -1.130 119.277 120.400 0.012 0.000 2.485 420 K HA 0.325 4.645 4.320 0.001 0.000 0.200 420 K C 0.112 176.835 176.600 0.205 0.000 1.344 420 K CA 0.408 56.800 56.287 0.175 0.000 0.948 420 K CB 0.445 33.112 32.500 0.280 0.000 1.454 420 K HN 0.298 nan 8.250 nan 0.000 0.502 421 C N 1.806 121.103 119.300 -0.006 0.000 2.662 421 C HA 0.287 4.748 4.460 0.001 0.000 0.420 421 C C -0.208 174.603 174.990 -0.299 0.000 1.314 421 C CA -0.146 58.638 59.018 -0.391 0.000 1.963 421 C CB -0.946 26.021 27.740 -1.289 0.000 2.686 421 C HN 0.389 nan 8.230 nan 0.000 0.609 422 Y N 0.991 121.131 120.300 -0.266 0.000 2.479 422 Y HA 0.593 5.144 4.550 0.001 0.000 0.338 422 Y C -0.458 175.486 175.900 0.072 0.000 1.055 422 Y CA -0.534 57.473 58.100 -0.156 0.000 1.023 422 Y CB 1.018 39.321 38.460 -0.262 0.000 1.287 422 Y HN 0.841 nan 8.280 nan 0.000 0.447 423 A N 6.235 128.754 122.820 -0.502 0.000 2.356 423 A HA 0.809 5.130 4.320 0.001 0.000 0.310 423 A C -1.537 175.587 177.584 -0.766 0.000 1.075 423 A CA -0.811 50.880 52.037 -0.577 0.000 0.746 423 A CB 1.095 19.472 19.000 -1.038 0.000 1.221 423 A HN 0.718 nan 8.150 nan 0.000 0.443 424 K N 2.025 122.182 120.400 -0.405 0.000 2.502 424 K HA 0.796 5.117 4.320 0.001 0.000 0.257 424 K C -1.167 175.457 176.600 0.040 0.000 0.938 424 K CA -0.645 55.527 56.287 -0.193 0.000 0.819 424 K CB 1.895 34.306 32.500 -0.149 0.000 1.333 424 K HN 0.876 nan 8.250 nan 0.000 0.434 425 I N -0.311 120.323 120.570 0.107 0.000 2.646 425 I HA 0.573 4.744 4.170 0.001 0.000 0.299 425 I C -1.153 175.072 176.117 0.180 0.000 1.036 425 I CA -1.445 59.956 61.300 0.168 0.000 1.074 425 I CB 1.774 39.886 38.000 0.187 0.000 1.258 425 I HN 0.610 nan 8.210 nan 0.000 0.430 426 I N 4.625 125.304 120.570 0.182 0.000 2.362 426 I HA 0.397 4.568 4.170 0.001 0.000 0.289 426 I C -0.634 175.551 176.117 0.113 0.000 0.994 426 I CA -0.330 61.056 61.300 0.143 0.000 1.158 426 I CB 1.534 39.634 38.000 0.166 0.000 1.315 426 I HN 0.602 nan 8.210 nan 0.000 0.451 427 C N 4.456 123.812 119.300 0.092 0.000 2.411 427 C HA 0.414 4.875 4.460 0.001 0.000 0.330 427 C C 0.291 175.242 174.990 -0.065 0.000 1.224 427 C CA -0.659 58.387 59.018 0.047 0.000 1.770 427 C CB 1.154 28.983 27.740 0.148 0.000 2.297 427 C HN 0.706 nan 8.230 nan 0.000 0.507 428 N N 1.292 119.883 118.700 -0.181 0.000 2.462 428 N HA 0.183 4.924 4.740 0.001 0.000 0.242 428 N C 0.872 176.266 175.510 -0.192 0.000 1.010 428 N CA -0.005 52.834 53.050 -0.351 0.000 0.939 428 N CB 1.021 39.040 38.487 -0.780 0.000 1.127 428 N HN 0.656 nan 8.380 nan 0.000 0.509 429 T N 2.530 117.013 114.554 -0.119 0.000 2.867 429 T HA -0.048 4.303 4.350 0.001 0.000 0.268 429 T C 1.306 175.973 174.700 -0.054 0.000 1.057 429 T CA 0.975 63.041 62.100 -0.056 0.000 1.136 429 T CB 0.099 68.950 68.868 -0.028 0.000 0.874 429 T HN 0.426 nan 8.240 nan 0.000 0.466 430 K N 1.342 121.699 120.400 -0.071 0.000 2.442 430 K HA 0.012 4.333 4.320 0.001 0.000 0.198 430 K C 0.500 177.073 176.600 -0.044 0.000 1.042 430 K CA 0.682 56.946 56.287 -0.038 0.000 0.958 430 K CB -0.048 32.449 32.500 -0.005 0.000 0.766 430 K HN 0.291 nan 8.250 nan 0.000 0.474 431 D N 0.170 120.521 120.400 -0.082 0.000 2.861 431 D HA 0.136 4.777 4.640 0.001 0.000 0.357 431 D C -0.986 175.284 176.300 -0.050 0.000 1.250 431 D CA -0.339 53.624 54.000 -0.062 0.000 0.802 431 D CB -0.669 40.080 40.800 -0.084 0.000 1.141 431 D HN -0.007 nan 8.370 nan 0.000 0.489 432 N N 1.820 120.501 118.700 -0.031 0.000 2.735 432 N HA -0.224 4.517 4.740 0.001 0.000 0.248 432 N C -0.732 174.768 175.510 -0.016 0.000 1.083 432 N CA 0.928 53.967 53.050 -0.018 0.000 0.703 432 N CB -0.540 37.939 38.487 -0.013 0.000 1.005 432 N HN 0.440 nan 8.380 nan 0.000 0.550 433 E N -2.202 117.985 120.200 -0.021 0.000 2.360 433 E HA -0.317 4.033 4.350 0.001 0.000 0.238 433 E C 0.107 176.700 176.600 -0.011 0.000 1.186 433 E CA 0.518 56.917 56.400 -0.002 0.000 0.719 433 E CB -0.599 29.123 29.700 0.037 0.000 1.236 433 E HN 0.421 nan 8.360 nan 0.000 0.386 434 R N 0.359 120.833 120.500 -0.043 0.000 2.537 434 R HA 0.041 4.382 4.340 0.001 0.000 0.281 434 R C -0.357 175.933 176.300 -0.017 0.000 0.988 434 R CA 0.302 56.381 56.100 -0.035 0.000 1.077 434 R CB 0.611 30.872 30.300 -0.064 0.000 0.932 434 R HN 0.028 nan 8.270 nan 0.000 0.409 435 V N 7.565 127.491 119.914 0.021 0.000 2.352 435 V HA 0.019 4.140 4.120 0.001 0.000 0.253 435 V C 1.121 177.252 176.094 0.060 0.000 1.083 435 V CA 0.217 62.551 62.300 0.057 0.000 0.993 435 V CB 0.627 32.500 31.823 0.084 0.000 1.111 435 V HN 0.802 nan 8.190 nan 0.000 0.490 436 V N 1.991 121.944 119.914 0.065 0.000 3.608 436 V HA 0.553 4.674 4.120 0.001 0.000 0.269 436 V C 0.829 177.004 176.094 0.136 0.000 1.245 436 V CA 0.795 63.156 62.300 0.101 0.000 1.138 436 V CB 0.028 31.931 31.823 0.133 0.000 0.841 436 V HN 0.716 nan 8.190 nan 0.000 0.451 437 G N -0.212 108.677 108.800 0.147 0.000 2.731 437 G HA2 0.595 4.556 3.960 0.001 0.000 0.298 437 G HA3 0.595 4.556 3.960 0.001 0.000 0.298 437 G C -1.951 173.042 174.900 0.155 0.000 1.424 437 G CA -0.563 44.636 45.100 0.164 0.000 1.029 437 G HN 0.209 nan 8.290 nan 0.000 0.518 438 F N 3.008 122.814 119.950 -0.239 0.000 2.539 438 F HA 0.685 5.213 4.527 0.001 0.000 0.318 438 F C -0.871 174.636 175.800 -0.490 0.000 1.135 438 F CA -0.692 57.149 58.000 -0.264 0.000 0.915 438 F CB 1.764 40.577 39.000 -0.312 0.000 1.176 438 F HN 0.470 nan 8.300 nan 0.000 0.440 439 H N 5.238 124.053 119.070 -0.425 0.000 2.877 439 H HA 0.595 5.152 4.556 0.001 0.000 0.347 439 H C -1.510 173.762 175.328 -0.093 0.000 1.042 439 H CA -0.765 55.248 56.048 -0.058 0.000 1.276 439 H CB 2.129 32.013 29.762 0.204 0.000 1.681 439 H HN 0.566 nan 8.280 nan 0.000 0.521 440 V N 4.719 124.774 119.914 0.235 0.000 2.686 440 V HA 0.331 4.452 4.120 0.001 0.000 0.306 440 V C -1.419 174.943 176.094 0.447 0.000 1.065 440 V CA -0.720 61.773 62.300 0.323 0.000 0.894 440 V CB 2.427 34.456 31.823 0.343 0.000 1.004 440 V HN 0.492 nan 8.190 nan 0.000 0.424 441 L N 6.882 128.336 121.223 0.385 0.000 2.318 441 L HA 1.028 5.369 4.340 0.001 0.000 0.277 441 L C 0.052 177.068 176.870 0.243 0.000 1.008 441 L CA 0.988 56.005 54.840 0.294 0.000 0.846 441 L CB 0.897 43.072 42.059 0.192 0.000 1.220 441 L HN 0.978 nan 8.230 nan 0.000 0.423 442 G N 4.337 113.296 108.800 0.264 0.000 2.322 442 G HA2 0.329 4.290 3.960 0.001 0.000 0.295 442 G HA3 0.329 4.290 3.960 0.001 0.000 0.295 442 G C -3.390 171.684 174.900 0.292 0.000 1.369 442 G CA -0.727 44.522 45.100 0.249 0.000 0.821 442 G HN 0.345 nan 8.290 nan 0.000 0.536 443 P HA 0.147 nan 4.420 nan 0.000 0.269 443 P C -0.157 177.302 177.300 0.265 0.000 1.209 443 P CA 0.153 63.440 63.100 0.312 0.000 0.776 443 P CB 0.362 32.250 31.700 0.314 0.000 0.876 444 N N 0.047 118.908 118.700 0.268 0.000 2.727 444 N HA -0.234 4.507 4.740 0.001 0.000 0.249 444 N C 1.139 176.785 175.510 0.227 0.000 1.048 444 N CA 0.965 54.157 53.050 0.238 0.000 0.714 444 N CB -1.590 37.004 38.487 0.178 0.000 0.959 444 N HN 0.594 nan 8.380 nan 0.000 0.544 445 A N 0.136 123.097 122.820 0.234 0.000 1.940 445 A HA -0.034 4.287 4.320 0.001 0.000 0.219 445 A C 2.299 179.972 177.584 0.148 0.000 1.176 445 A CA 2.202 54.360 52.037 0.202 0.000 0.631 445 A CB -0.756 18.342 19.000 0.163 0.000 0.814 445 A HN 0.537 nan 8.150 nan 0.000 0.446 446 G N -0.462 108.413 108.800 0.126 0.000 2.402 446 G HA2 -0.170 3.791 3.960 0.001 0.000 0.216 446 G HA3 -0.170 3.791 3.960 0.001 0.000 0.216 446 G C 1.356 176.319 174.900 0.104 0.000 1.162 446 G CA 0.928 46.087 45.100 0.097 0.000 0.777 446 G HN 0.514 nan 8.290 nan 0.000 0.539 447 E N 0.563 120.841 120.200 0.131 0.000 2.110 447 E HA -0.081 4.270 4.350 0.001 0.000 0.193 447 E C 2.832 179.483 176.600 0.086 0.000 0.988 447 E CA 0.764 57.219 56.400 0.092 0.000 0.804 447 E CB -0.582 29.174 29.700 0.094 0.000 0.745 447 E HN 0.345 nan 8.360 nan 0.000 0.458 448 V N 1.395 121.393 119.914 0.140 0.000 2.358 448 V HA -0.186 3.935 4.120 0.001 0.000 0.246 448 V C 2.303 178.511 176.094 0.190 0.000 1.047 448 V CA 2.057 64.476 62.300 0.199 0.000 1.035 448 V CB -0.783 31.209 31.823 0.281 0.000 0.658 448 V HN 0.263 nan 8.190 nan 0.000 0.452 449 T N -0.854 113.776 114.554 0.128 0.000 2.951 449 T HA -0.192 4.158 4.350 0.001 0.000 0.268 449 T C 1.869 176.478 174.700 -0.151 0.000 1.073 449 T CA 1.373 63.454 62.100 -0.032 0.000 1.134 449 T CB -0.162 68.731 68.868 0.041 0.000 0.884 449 T HN 0.411 nan 8.240 nan 0.000 0.479 450 Q N 1.552 121.303 119.800 -0.082 0.000 2.045 450 Q HA -0.069 4.272 4.340 0.001 0.000 0.206 450 Q C 2.442 178.339 176.000 -0.172 0.000 0.991 450 Q CA 2.294 58.032 55.803 -0.108 0.000 0.851 450 Q CB -1.058 27.641 28.738 -0.065 0.000 0.911 450 Q HN 0.491 nan 8.270 nan 0.000 0.418 451 G N -1.336 107.336 108.800 -0.213 0.000 2.422 451 G HA2 -0.204 3.757 3.960 0.001 0.000 0.218 451 G HA3 -0.204 3.757 3.960 0.001 0.000 0.218 451 G C 1.025 175.657 174.900 -0.447 0.000 1.140 451 G CA 0.608 45.519 45.100 -0.317 0.000 0.775 451 G HN 0.387 nan 8.290 nan 0.000 0.545 452 F N 1.794 121.472 119.950 -0.455 0.000 2.269 452 F HA 0.075 4.602 4.527 0.001 0.000 0.301 452 F C 2.930 178.413 175.800 -0.529 0.000 1.082 452 F CA 0.662 58.282 58.000 -0.634 0.000 1.360 452 F CB -0.220 37.985 39.000 -1.325 0.000 1.041 452 F HN 0.235 nan 8.300 nan 0.000 0.512 453 A N 0.085 122.728 122.820 -0.294 0.000 1.902 453 A HA -0.099 4.221 4.320 0.001 0.000 0.217 453 A C 2.448 179.939 177.584 -0.155 0.000 1.181 453 A CA 1.776 53.689 52.037 -0.207 0.000 0.623 453 A CB -1.238 17.659 19.000 -0.171 0.000 0.818 453 A HN 0.299 nan 8.150 nan 0.000 0.443 454 A N -0.231 122.488 122.820 -0.167 0.000 1.930 454 A HA 0.200 4.521 4.320 0.001 0.000 0.217 454 A C 2.486 179.992 177.584 -0.129 0.000 1.175 454 A CA 1.927 53.881 52.037 -0.138 0.000 0.627 454 A CB -0.955 17.957 19.000 -0.148 0.000 0.815 454 A HN 1.046 nan 8.150 nan 0.000 0.443 455 A N -0.051 122.674 122.820 -0.159 0.000 1.902 455 A HA -0.070 4.251 4.320 0.001 0.000 0.217 455 A C 2.124 179.669 177.584 -0.064 0.000 1.181 455 A CA 1.512 53.480 52.037 -0.115 0.000 0.623 455 A CB -0.564 18.365 19.000 -0.117 0.000 0.818 455 A HN 0.463 nan 8.150 nan 0.000 0.443 456 L N -0.904 120.280 121.223 -0.066 0.000 2.083 456 L HA -0.158 4.183 4.340 0.001 0.000 0.209 456 L C 2.424 179.274 176.870 -0.033 0.000 1.083 456 L CA 1.286 56.105 54.840 -0.037 0.000 0.752 456 L CB -0.678 41.359 42.059 -0.038 0.000 0.899 456 L HN 0.310 nan 8.230 nan 0.000 0.433 457 K N 0.017 120.387 120.400 -0.049 0.000 2.211 457 K HA -0.149 4.172 4.320 0.001 0.000 0.204 457 K C 1.832 178.412 176.600 -0.034 0.000 1.047 457 K CA 1.152 57.415 56.287 -0.040 0.000 0.935 457 K CB -0.437 32.032 32.500 -0.052 0.000 0.728 457 K HN 0.417 nan 8.250 nan 0.000 0.452 458 C N 0.163 119.439 119.300 -0.040 0.000 2.697 458 C HA 0.230 4.691 4.460 0.001 0.000 0.267 458 C C 1.170 176.147 174.990 -0.022 0.000 1.278 458 C CA 0.025 59.022 59.018 -0.034 0.000 1.708 458 C CB -1.005 26.708 27.740 -0.045 0.000 1.860 458 C HN 0.642 nan 8.230 nan 0.000 0.589 459 G N 1.360 110.151 108.800 -0.015 0.000 2.248 459 G HA2 -0.229 3.732 3.960 0.001 0.000 0.263 459 G HA3 -0.229 3.732 3.960 0.001 0.000 0.263 459 G C -0.085 174.812 174.900 -0.004 0.000 1.082 459 G CA 0.151 45.248 45.100 -0.005 0.000 0.863 459 G HN 0.538 nan 8.290 nan 0.000 0.495 460 L N 0.839 122.060 121.223 -0.002 0.000 2.543 460 L HA 0.535 4.875 4.340 0.001 0.000 0.285 460 L C 0.639 177.518 176.870 0.014 0.000 1.236 460 L CA 1.180 56.025 54.840 0.008 0.000 0.871 460 L CB 0.564 42.640 42.059 0.029 0.000 1.121 460 L HN 0.228 nan 8.230 nan 0.000 0.501 461 T N 3.858 118.418 114.554 0.010 0.000 2.912 461 T HA 0.258 4.609 4.350 0.001 0.000 0.288 461 T C 0.682 175.383 174.700 0.001 0.000 1.030 461 T CA -0.429 61.673 62.100 0.003 0.000 1.020 461 T CB 1.898 70.763 68.868 -0.005 0.000 1.056 461 T HN 0.688 nan 8.240 nan 0.000 0.480 462 K N 2.064 122.456 120.400 -0.013 0.000 2.063 462 K HA -0.026 4.295 4.320 0.001 0.000 0.208 462 K C 1.965 178.529 176.600 -0.059 0.000 1.048 462 K CA 1.761 58.014 56.287 -0.058 0.000 0.928 462 K CB -0.075 32.367 32.500 -0.098 0.000 0.713 462 K HN 0.428 nan 8.250 nan 0.000 0.442 463 K N 0.089 120.468 120.400 -0.036 0.000 2.074 463 K HA -0.202 4.119 4.320 0.001 0.000 0.209 463 K C 2.305 178.894 176.600 -0.018 0.000 1.048 463 K CA 2.084 58.355 56.287 -0.027 0.000 0.926 463 K CB -0.058 32.433 32.500 -0.015 0.000 0.713 463 K HN 0.321 nan 8.250 nan 0.000 0.444 464 Q N 0.135 119.929 119.800 -0.011 0.000 2.079 464 Q HA -0.164 4.177 4.340 0.001 0.000 0.200 464 Q C 2.138 178.142 176.000 0.008 0.000 0.974 464 Q CA 1.142 56.943 55.803 -0.004 0.000 0.840 464 Q CB -0.133 28.603 28.738 -0.004 0.000 0.898 464 Q HN 0.198 nan 8.270 nan 0.000 0.430 465 L N 1.453 122.689 121.223 0.021 0.000 2.012 465 L HA -0.201 4.140 4.340 0.001 0.000 0.210 465 L C 1.376 178.266 176.870 0.033 0.000 1.073 465 L CA 1.966 56.841 54.840 0.059 0.000 0.748 465 L CB -0.449 41.656 42.059 0.077 0.000 0.891 465 L HN 0.094 nan 8.230 nan 0.000 0.431 466 D N -0.912 119.480 120.400 -0.012 0.000 2.218 466 D HA -0.138 4.503 4.640 0.001 0.000 0.204 466 D C 2.367 178.661 176.300 -0.010 0.000 0.976 466 D CA 1.370 55.355 54.000 -0.025 0.000 0.853 466 D CB -0.101 40.667 40.800 -0.054 0.000 0.939 466 D HN 0.604 nan 8.370 nan 0.000 0.481 467 S N -0.926 114.771 115.700 -0.006 0.000 2.496 467 S HA -0.007 4.464 4.470 0.001 0.000 0.224 467 S C 1.030 175.629 174.600 -0.001 0.000 0.996 467 S CA -0.006 58.190 58.200 -0.006 0.000 0.927 467 S CB -0.234 62.961 63.200 -0.009 0.000 0.774 467 S HN -0.048 nan 8.310 nan 0.000 0.524 468 T N 4.624 119.183 114.554 0.008 0.000 2.870 468 T HA 0.366 4.717 4.350 0.001 0.000 0.300 468 T C 0.041 174.752 174.700 0.017 0.000 0.989 468 T CA -0.334 61.772 62.100 0.010 0.000 1.139 468 T CB 0.348 69.230 68.868 0.024 0.000 0.920 468 T HN 0.141 nan 8.240 nan 0.000 0.537 469 I N 2.667 123.242 120.570 0.008 0.000 2.472 469 I HA 0.338 4.509 4.170 0.001 0.000 0.290 469 I C 1.314 177.445 176.117 0.024 0.000 1.016 469 I CA -0.710 60.597 61.300 0.011 0.000 1.348 469 I CB 0.434 38.435 38.000 0.002 0.000 1.417 469 I HN 0.703 nan 8.210 nan 0.000 0.521 470 G N 5.667 114.485 108.800 0.031 0.000 2.606 470 G HA2 0.491 4.452 3.960 0.001 0.000 0.252 470 G HA3 0.491 4.452 3.960 0.001 0.000 0.252 470 G C -0.223 174.708 174.900 0.052 0.000 1.206 470 G CA -0.533 44.597 45.100 0.051 0.000 0.861 470 G HN 0.519 nan 8.290 nan 0.000 0.561 471 I N 0.340 120.951 120.570 0.067 0.000 2.336 471 I HA 0.237 4.408 4.170 0.001 0.000 0.292 471 I C -0.311 175.882 176.117 0.126 0.000 0.991 471 I CA -0.668 60.676 61.300 0.073 0.000 1.227 471 I CB 1.599 39.625 38.000 0.045 0.000 1.366 471 I HN 0.463 nan 8.210 nan 0.000 0.466 472 H N 7.371 126.443 119.070 0.004 0.000 2.495 472 H HA 0.576 5.133 4.556 0.001 0.000 0.348 472 H C -2.466 172.864 175.328 0.003 0.000 1.113 472 H CA -2.054 53.996 56.048 0.003 0.000 1.195 472 H CB 1.663 31.428 29.762 0.005 0.000 1.521 472 H HN 0.298 nan 8.280 nan 0.000 0.509 473 P HA 0.327 nan 4.420 nan 0.000 0.294 473 P C -1.386 175.849 177.300 -0.108 0.000 1.389 473 P CA -0.500 62.366 63.100 -0.389 0.000 0.875 473 P CB 1.044 32.400 31.700 -0.573 0.000 1.018 474 V N 2.702 122.613 119.914 -0.005 0.000 2.789 474 V HA 0.090 4.211 4.120 0.001 0.000 0.311 474 V C 1.296 177.387 176.094 -0.005 0.000 1.073 474 V CA -0.496 61.806 62.300 0.003 0.000 0.921 474 V CB 1.909 33.747 31.823 0.025 0.000 1.009 474 V HN 0.627 nan 8.190 nan 0.000 0.426 475 C N 2.721 122.008 119.300 -0.022 0.000 2.398 475 C HA -0.174 4.287 4.460 0.001 0.000 0.276 475 C C 2.822 177.667 174.990 -0.242 0.000 1.222 475 C CA 1.648 60.586 59.018 -0.134 0.000 1.746 475 C CB -1.018 26.716 27.740 -0.010 0.000 2.039 475 C HN 1.049 nan 8.230 nan 0.000 0.470 476 A N 1.114 123.921 122.820 -0.021 0.000 2.084 476 A HA -0.247 4.074 4.320 0.001 0.000 0.221 476 A C 2.081 179.770 177.584 0.176 0.000 1.161 476 A CA 1.961 54.091 52.037 0.155 0.000 0.653 476 A CB -0.783 18.370 19.000 0.255 0.000 0.802 476 A HN 0.872 nan 8.150 nan 0.000 0.457 477 E N -0.108 120.128 120.200 0.059 0.000 2.401 477 E HA -0.109 4.242 4.350 0.001 0.000 0.199 477 E C 1.548 178.146 176.600 -0.004 0.000 1.023 477 E CA 1.078 57.521 56.400 0.072 0.000 0.859 477 E CB -0.532 29.207 29.700 0.066 0.000 0.780 477 E HN 0.313 nan 8.360 nan 0.000 0.523 478 V N 0.388 120.197 119.914 -0.176 0.000 2.568 478 V HA -0.235 3.886 4.120 0.001 0.000 0.253 478 V C 1.498 177.400 176.094 -0.319 0.000 1.072 478 V CA 1.597 63.706 62.300 -0.320 0.000 1.084 478 V CB -0.637 30.803 31.823 -0.638 0.000 0.676 478 V HN 0.326 nan 8.190 nan 0.000 0.469 479 F N 0.332 120.201 119.950 -0.136 0.000 2.604 479 F HA -0.033 4.495 4.527 0.001 0.000 0.298 479 F C 2.346 178.130 175.800 -0.027 0.000 1.131 479 F CA 1.525 59.456 58.000 -0.116 0.000 1.457 479 F CB -0.688 38.193 39.000 -0.199 0.000 1.095 479 F HN 0.116 nan 8.300 nan 0.000 0.574 480 T N -1.572 113.066 114.554 0.141 0.000 3.023 480 T HA -0.069 4.282 4.350 0.001 0.000 0.266 480 T C 1.564 176.274 174.700 0.017 0.000 1.093 480 T CA 1.709 63.865 62.100 0.093 0.000 1.129 480 T CB -0.253 68.661 68.868 0.076 0.000 0.899 480 T HN 0.319 nan 8.240 nan 0.000 0.491 481 T N -0.513 114.029 114.554 -0.019 0.000 3.460 481 T HA 0.420 4.770 4.350 0.001 0.000 0.304 481 T C 0.154 174.824 174.700 -0.050 0.000 0.991 481 T CA -0.448 61.630 62.100 -0.036 0.000 0.975 481 T CB -0.607 68.244 68.868 -0.029 0.000 1.196 481 T HN 0.130 nan 8.240 nan 0.000 0.490 482 L N 2.995 124.171 121.223 -0.077 0.000 2.500 482 L HA 0.320 4.661 4.340 0.001 0.000 0.272 482 L C 1.344 178.203 176.870 -0.019 0.000 1.149 482 L CA -0.076 54.732 54.840 -0.053 0.000 0.897 482 L CB 0.617 42.636 42.059 -0.068 0.000 1.178 482 L HN 0.525 nan 8.230 nan 0.000 0.473 483 S N 1.097 116.860 115.700 0.105 0.000 2.649 483 S HA 0.166 4.636 4.470 0.001 0.000 0.246 483 S C 0.171 174.940 174.600 0.281 0.000 1.057 483 S CA -0.416 57.891 58.200 0.179 0.000 1.051 483 S CB 0.546 63.799 63.200 0.087 0.000 1.018 483 S HN 0.232 nan 8.310 nan 0.000 0.569 484 V N 4.012 124.074 119.914 0.248 0.000 2.370 484 V HA 0.556 4.677 4.120 0.001 0.000 0.279 484 V C 0.471 176.650 176.094 0.142 0.000 1.029 484 V CA -0.235 62.173 62.300 0.180 0.000 0.870 484 V CB 1.042 32.960 31.823 0.158 0.000 0.984 484 V HN 0.624 nan 8.190 nan 0.000 0.451 485 T N 1.654 116.179 114.554 -0.048 0.000 2.928 485 T HA 0.398 4.749 4.350 0.001 0.000 0.284 485 T C 0.901 175.486 174.700 -0.191 0.000 1.008 485 T CA -0.768 61.166 62.100 -0.278 0.000 1.057 485 T CB 1.633 70.255 68.868 -0.411 0.000 1.018 485 T HN 0.538 nan 8.240 nan 0.000 0.493 486 K N 0.470 120.657 120.400 -0.355 0.000 2.057 486 K HA -0.138 4.183 4.320 0.001 0.000 0.207 486 K C 2.462 178.982 176.600 -0.133 0.000 1.049 486 K CA 1.319 57.436 56.287 -0.283 0.000 0.931 486 K CB -0.175 32.124 32.500 -0.335 0.000 0.714 486 K HN 0.667 nan 8.250 nan 0.000 0.440 487 R N 1.332 121.744 120.500 -0.146 0.000 2.105 487 R HA -0.149 4.192 4.340 0.001 0.000 0.239 487 R C 2.256 178.521 176.300 -0.060 0.000 1.135 487 R CA 2.067 58.111 56.100 -0.093 0.000 0.967 487 R CB -0.246 29.994 30.300 -0.100 0.000 0.861 487 R HN 0.218 nan 8.270 nan 0.000 0.442 488 S N -1.068 114.596 115.700 -0.060 0.000 2.442 488 S HA -0.009 4.462 4.470 0.001 0.000 0.236 488 S C 1.673 176.273 174.600 0.001 0.000 1.007 488 S CA 1.014 59.201 58.200 -0.023 0.000 0.965 488 S CB -0.351 62.842 63.200 -0.011 0.000 0.773 488 S HN 0.700 nan 8.310 nan 0.000 0.504 489 G N 1.038 109.843 108.800 0.010 0.000 2.212 489 G HA2 -0.194 3.766 3.960 0.001 0.000 0.266 489 G HA3 -0.194 3.766 3.960 0.001 0.000 0.266 489 G C 0.345 175.277 174.900 0.054 0.000 0.978 489 G CA 0.278 45.396 45.100 0.030 0.000 0.632 489 G HN 1.450 nan 8.290 nan 0.000 0.537 490 A N 0.082 122.938 122.820 0.059 0.000 2.483 490 A HA 0.643 4.964 4.320 0.001 0.000 0.238 490 A C 0.954 178.589 177.584 0.085 0.000 1.070 490 A CA 1.225 53.300 52.037 0.063 0.000 0.770 490 A CB 0.502 19.537 19.000 0.058 0.000 1.008 490 A HN 1.523 nan 8.150 nan 0.000 0.497 491 S N -0.309 115.429 115.700 0.063 0.000 2.592 491 S HA 0.429 4.900 4.470 0.001 0.000 0.271 491 S C 0.616 175.249 174.600 0.056 0.000 1.326 491 S CA 0.092 58.328 58.200 0.060 0.000 1.024 491 S CB -0.027 63.196 63.200 0.038 0.000 0.921 491 S HN 0.937 nan 8.310 nan 0.000 0.527 492 I N 1.969 122.574 120.570 0.059 0.000 3.817 492 I HA 0.406 4.576 4.170 0.001 0.000 0.325 492 I C -0.218 175.989 176.117 0.151 0.000 1.550 492 I CA -0.454 60.883 61.300 0.061 0.000 1.100 492 I CB -0.043 37.901 38.000 -0.094 0.000 1.216 492 I HN 0.331 nan 8.210 nan 0.000 0.481 493 L N 0.000 121.266 121.223 0.072 0.000 2.949 493 L HA 0.000 4.341 4.340 0.001 0.000 0.249 493 L CA 0.000 54.827 54.840 -0.022 0.000 0.813 493 L CB 0.000 42.011 42.059 -0.080 0.000 0.961 493 L HN 0.000 nan 8.230 nan 0.000 0.502