REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 2zzc_1_D 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 0.000 174.373 174.600 -0.379 0.000 1.055 10 S CA 0.000 57.993 58.200 -0.344 0.000 1.107 10 S CB 0.000 62.828 63.200 -0.619 0.000 0.593 11 Y N 3.299 123.607 120.300 0.014 0.000 2.376 11 Y HA 0.496 5.046 4.550 -0.001 0.000 0.325 11 Y C 1.281 177.190 175.900 0.015 0.000 1.199 11 Y CA -0.996 57.134 58.100 0.050 0.000 1.206 11 Y CB 0.308 38.833 38.460 0.109 0.000 1.229 11 Y HN 0.010 nan 8.280 nan 0.000 0.480 12 D N 0.505 121.036 120.400 0.219 0.000 2.104 12 D HA -0.179 4.460 4.640 -0.001 0.000 0.194 12 D C -0.406 175.721 176.300 -0.289 0.000 0.994 12 D CA 2.043 56.038 54.000 -0.008 0.000 0.830 12 D CB -0.054 40.849 40.800 0.173 0.000 0.959 12 D HN 0.462 nan 8.370 nan 0.000 0.452 13 Y N -0.629 119.728 120.300 0.095 0.000 2.605 13 Y HA 0.229 4.778 4.550 -0.001 0.000 0.343 13 Y C 1.073 176.983 175.900 0.017 0.000 1.036 13 Y CA -1.001 57.103 58.100 0.007 0.000 1.065 13 Y CB 1.443 39.843 38.460 -0.101 0.000 1.288 13 Y HN -0.322 nan 8.280 nan 0.000 0.481 14 D N 0.314 120.823 120.400 0.182 0.000 2.162 14 D HA 0.023 4.663 4.640 -0.001 0.000 0.203 14 D C -0.486 175.865 176.300 0.086 0.000 0.967 14 D CA 1.446 55.517 54.000 0.118 0.000 0.840 14 D CB 0.582 41.408 40.800 0.042 0.000 0.972 14 D HN 0.213 nan 8.370 nan 0.000 0.482 15 L N 0.329 121.562 121.223 0.017 0.000 2.513 15 L HA 0.420 4.760 4.340 -0.001 0.000 0.261 15 L C -1.784 174.920 176.870 -0.277 0.000 0.945 15 L CA -0.484 54.305 54.840 -0.085 0.000 0.848 15 L CB 2.367 44.445 42.059 0.031 0.000 1.334 15 L HN -0.244 nan 8.230 nan 0.000 0.407 16 I N 5.344 125.616 120.570 -0.497 0.000 2.465 16 I HA 0.488 4.657 4.170 -0.001 0.000 0.291 16 I C -0.815 175.112 176.117 -0.317 0.000 1.014 16 I CA -0.463 60.493 61.300 -0.572 0.000 1.093 16 I CB 1.990 39.458 38.000 -0.885 0.000 1.267 16 I HN 0.479 nan 8.210 nan 0.000 0.431 17 I N 6.743 127.188 120.570 -0.208 0.000 2.378 17 I HA 0.403 4.573 4.170 -0.001 0.000 0.291 17 I C -0.364 175.713 176.117 -0.067 0.000 0.992 17 I CA -0.470 60.781 61.300 -0.082 0.000 1.154 17 I CB 1.637 39.596 38.000 -0.069 0.000 1.315 17 I HN 0.331 nan 8.210 nan 0.000 0.448 18 I N 5.877 126.441 120.570 -0.009 0.000 2.307 18 I HA 0.589 4.758 4.170 -0.001 0.000 0.289 18 I C 0.470 176.574 176.117 -0.021 0.000 1.021 18 I CA -0.346 60.936 61.300 -0.030 0.000 1.224 18 I CB 0.913 38.899 38.000 -0.024 0.000 1.376 18 I HN 0.814 nan 8.210 nan 0.000 0.470 19 G N 3.744 112.526 108.800 -0.030 0.000 3.225 19 G HA2 0.041 4.001 3.960 -0.001 0.000 0.686 19 G HA3 0.041 4.001 3.960 -0.001 0.000 0.686 19 G C -0.224 174.662 174.900 -0.024 0.000 1.105 19 G CA -0.547 44.543 45.100 -0.017 0.000 0.831 19 G HN 1.030 nan 8.290 nan 0.000 0.578 20 G N 0.928 109.712 108.800 -0.027 0.000 4.662 20 G HA2 0.754 4.713 3.960 -0.001 0.000 0.328 20 G HA3 0.754 4.713 3.960 -0.001 0.000 0.328 20 G C 0.636 175.448 174.900 -0.146 0.000 1.451 20 G CA 0.740 45.786 45.100 -0.090 0.000 1.154 20 G HN 1.351 nan 8.290 nan 0.000 0.547 21 G N 0.166 108.892 108.800 -0.124 0.000 3.122 21 G HA2 0.450 4.409 3.960 -0.001 0.000 0.180 21 G HA3 0.450 4.409 3.960 -0.001 0.000 0.180 21 G C 1.155 175.949 174.900 -0.176 0.000 1.279 21 G CA 0.323 45.335 45.100 -0.146 0.000 0.987 21 G HN 0.218 nan 8.290 nan 0.000 0.589 22 S N -0.075 115.546 115.700 -0.131 0.000 2.365 22 S HA -0.141 4.329 4.470 -0.001 0.000 0.221 22 S C 2.461 177.017 174.600 -0.074 0.000 1.037 22 S CA 1.951 60.086 58.200 -0.109 0.000 1.060 22 S CB -0.904 62.258 63.200 -0.063 0.000 0.974 22 S HN 0.807 nan 8.310 nan 0.000 0.427 23 G N 1.127 109.903 108.800 -0.041 0.000 2.433 23 G HA2 -0.022 3.937 3.960 -0.001 0.000 0.216 23 G HA3 -0.022 3.937 3.960 -0.001 0.000 0.216 23 G C 1.510 176.394 174.900 -0.026 0.000 1.186 23 G CA 0.973 46.062 45.100 -0.018 0.000 0.779 23 G HN 0.581 nan 8.290 nan 0.000 0.543 24 G N 1.024 109.802 108.800 -0.035 0.000 2.529 24 G HA2 -0.250 3.709 3.960 -0.001 0.000 0.219 24 G HA3 -0.250 3.709 3.960 -0.001 0.000 0.219 24 G C 1.833 176.697 174.900 -0.060 0.000 1.177 24 G CA 1.043 46.118 45.100 -0.041 0.000 0.773 24 G HN 0.424 nan 8.290 nan 0.000 0.573 25 L N 0.572 121.733 121.223 -0.102 0.000 2.109 25 L HA 0.045 4.385 4.340 -0.001 0.000 0.207 25 L C 3.415 180.263 176.870 -0.038 0.000 1.086 25 L CA 0.805 55.585 54.840 -0.100 0.000 0.760 25 L CB -0.397 41.541 42.059 -0.202 0.000 0.910 25 L HN 0.310 nan 8.230 nan 0.000 0.437 26 A N 0.291 123.093 122.820 -0.030 0.000 1.883 26 A HA -0.221 4.098 4.320 -0.001 0.000 0.217 26 A C 2.539 180.129 177.584 0.009 0.000 1.186 26 A CA 1.967 54.004 52.037 -0.000 0.000 0.624 26 A CB -0.771 18.228 19.000 -0.003 0.000 0.822 26 A HN 0.395 nan 8.150 nan 0.000 0.444 27 A N -0.250 122.574 122.820 0.006 0.000 1.873 27 A HA 0.185 4.505 4.320 -0.001 0.000 0.215 27 A C 2.542 180.141 177.584 0.024 0.000 1.186 27 A CA 2.141 54.192 52.037 0.023 0.000 0.616 27 A CB -1.174 17.836 19.000 0.016 0.000 0.823 27 A HN 1.147 nan 8.150 nan 0.000 0.442 28 A N 0.014 122.830 122.820 -0.006 0.000 1.884 28 A HA -0.284 4.036 4.320 -0.001 0.000 0.219 28 A C 2.118 179.695 177.584 -0.011 0.000 1.197 28 A CA 2.399 54.423 52.037 -0.022 0.000 0.637 28 A CB -0.578 18.395 19.000 -0.046 0.000 0.827 28 A HN 0.526 nan 8.150 nan 0.000 0.450 29 K N -1.000 119.396 120.400 -0.006 0.000 2.025 29 K HA -0.130 4.189 4.320 -0.001 0.000 0.207 29 K C 2.165 178.765 176.600 -0.000 0.000 1.049 29 K CA 1.523 57.804 56.287 -0.011 0.000 0.933 29 K CB -0.137 32.359 32.500 -0.008 0.000 0.714 29 K HN 0.509 nan 8.250 nan 0.000 0.438 30 E N 0.552 120.775 120.200 0.039 0.000 2.110 30 E HA -0.133 4.217 4.350 -0.001 0.000 0.193 30 E C 1.702 178.417 176.600 0.192 0.000 0.988 30 E CA 1.412 57.872 56.400 0.099 0.000 0.804 30 E CB -0.111 29.667 29.700 0.131 0.000 0.745 30 E HN 0.323 nan 8.360 nan 0.000 0.458 31 A N 0.520 123.429 122.820 0.148 0.000 1.897 31 A HA 0.030 4.350 4.320 -0.001 0.000 0.215 31 A C 2.398 179.995 177.584 0.021 0.000 1.181 31 A CA 1.659 53.775 52.037 0.133 0.000 0.620 31 A CB -0.877 18.157 19.000 0.057 0.000 0.821 31 A HN 0.349 nan 8.150 nan 0.000 0.443 32 A N -0.971 121.835 122.820 -0.023 0.000 2.024 32 A HA -0.211 4.108 4.320 -0.001 0.000 0.220 32 A C 2.044 179.579 177.584 -0.083 0.000 1.164 32 A CA 1.929 53.932 52.037 -0.056 0.000 0.643 32 A CB -0.500 18.469 19.000 -0.052 0.000 0.806 32 A HN 0.552 nan 8.150 nan 0.000 0.451 33 Q N -1.396 118.327 119.800 -0.127 0.000 2.181 33 Q HA -0.169 4.170 4.340 -0.001 0.000 0.205 33 Q C 0.241 175.987 176.000 -0.423 0.000 0.980 33 Q CA 1.650 57.262 55.803 -0.318 0.000 0.862 33 Q CB -0.302 28.131 28.738 -0.509 0.000 0.905 33 Q HN 0.849 nan 8.270 nan 0.000 0.429 34 Y N -1.329 118.933 120.300 -0.063 0.000 2.756 34 Y HA 0.390 4.939 4.550 -0.001 0.000 0.300 34 Y C 0.998 176.842 175.900 -0.092 0.000 1.113 34 Y CA -0.196 57.870 58.100 -0.056 0.000 1.291 34 Y CB 0.303 38.752 38.460 -0.019 0.000 1.175 34 Y HN 0.054 nan 8.280 nan 0.000 0.534 35 G N 0.880 109.677 108.800 -0.006 0.000 2.323 35 G HA2 -0.261 3.698 3.960 -0.001 0.000 0.292 35 G HA3 -0.261 3.698 3.960 -0.001 0.000 0.292 35 G C 0.011 174.875 174.900 -0.060 0.000 1.040 35 G CA -0.151 44.932 45.100 -0.029 0.000 0.942 35 G HN 0.108 nan 8.290 nan 0.000 0.506 36 K N -0.220 120.106 120.400 -0.123 0.000 2.118 36 K HA 0.422 4.741 4.320 -0.001 0.000 0.254 36 K C 0.446 176.997 176.600 -0.083 0.000 0.961 36 K CA -0.869 55.309 56.287 -0.180 0.000 0.876 36 K CB 1.472 33.696 32.500 -0.459 0.000 1.077 36 K HN 0.287 nan 8.250 nan 0.000 0.440 37 K N 1.702 122.088 120.400 -0.024 0.000 2.312 37 K HA 0.261 4.580 4.320 -0.001 0.000 0.287 37 K C -0.948 175.734 176.600 0.137 0.000 1.062 37 K CA -0.329 55.999 56.287 0.070 0.000 0.934 37 K CB 0.583 33.114 32.500 0.051 0.000 1.027 37 K HN 0.198 nan 8.250 nan 0.000 0.478 38 V N 5.633 125.610 119.914 0.105 0.000 2.709 38 V HA 0.413 4.532 4.120 -0.001 0.000 0.308 38 V C -0.539 175.433 176.094 -0.203 0.000 1.062 38 V CA -0.922 61.353 62.300 -0.042 0.000 0.901 38 V CB 1.820 33.597 31.823 -0.076 0.000 1.003 38 V HN 0.856 nan 8.190 nan 0.000 0.425 39 M N 4.631 123.903 119.600 -0.548 0.000 2.393 39 M HA 0.764 5.244 4.480 -0.001 0.000 0.316 39 M C -2.014 174.042 176.300 -0.407 0.000 1.087 39 M CA -0.553 54.336 55.300 -0.684 0.000 0.937 39 M CB 2.030 33.748 32.600 -1.470 0.000 1.668 39 M HN 0.453 nan 8.290 nan 0.000 0.438 40 V N 6.117 125.894 119.914 -0.228 0.000 2.409 40 V HA 0.451 4.570 4.120 -0.001 0.000 0.291 40 V C -0.511 175.565 176.094 -0.030 0.000 1.020 40 V CA -0.638 61.596 62.300 -0.110 0.000 0.848 40 V CB 1.728 33.528 31.823 -0.039 0.000 0.990 40 V HN 0.813 nan 8.190 nan 0.000 0.430 41 L N 4.447 125.633 121.223 -0.063 0.000 2.307 41 L HA 0.677 5.016 4.340 -0.001 0.000 0.282 41 L C -0.526 176.380 176.870 0.060 0.000 1.051 41 L CA -0.117 54.713 54.840 -0.017 0.000 0.804 41 L CB 1.540 43.563 42.059 -0.060 0.000 1.197 41 L HN 0.671 nan 8.230 nan 0.000 0.431 42 D N 1.828 122.318 120.400 0.151 0.000 2.947 42 D HA 0.556 5.195 4.640 -0.001 0.000 0.224 42 D C -1.712 174.713 176.300 0.208 0.000 1.230 42 D CA -0.271 53.825 54.000 0.161 0.000 0.871 42 D CB 1.756 42.673 40.800 0.194 0.000 1.671 42 D HN 0.247 nan 8.370 nan 0.000 0.507 43 F N 3.312 123.257 119.950 -0.007 0.000 2.608 43 F HA 0.591 5.118 4.527 -0.001 0.000 0.309 43 F C -1.667 174.112 175.800 -0.036 0.000 1.103 43 F CA -0.600 57.400 58.000 -0.000 0.000 0.954 43 F CB 1.915 40.937 39.000 0.038 0.000 1.267 43 F HN 0.171 nan 8.300 nan 0.000 0.444 44 V N 3.931 123.375 119.914 -0.784 0.000 2.325 44 V HA 0.273 4.392 4.120 -0.001 0.000 0.280 44 V C -0.069 175.718 176.094 -0.512 0.000 1.016 44 V CA -0.618 61.348 62.300 -0.556 0.000 0.818 44 V CB 1.242 32.557 31.823 -0.847 0.000 1.019 44 V HN 0.840 nan 8.190 nan 0.000 0.434 45 T N 4.820 119.354 114.554 -0.033 0.000 2.901 45 T HA 0.390 4.739 4.350 -0.001 0.000 0.301 45 T C -2.064 172.566 174.700 -0.118 0.000 1.012 45 T CA -1.062 61.110 62.100 0.120 0.000 1.135 45 T CB 1.039 70.082 68.868 0.291 0.000 0.936 45 T HN 0.412 nan 8.240 nan 0.000 0.539 46 P HA 0.201 nan 4.420 nan 0.000 0.269 46 P C 0.068 177.353 177.300 -0.026 0.000 1.215 46 P CA -0.321 62.707 63.100 -0.119 0.000 0.780 46 P CB 0.230 31.898 31.700 -0.053 0.000 0.898 47 T N 3.321 117.886 114.554 0.019 0.000 2.898 47 T HA 0.098 4.447 4.350 -0.001 0.000 0.301 47 T C -1.340 173.408 174.700 0.080 0.000 1.049 47 T CA -0.843 61.328 62.100 0.119 0.000 1.095 47 T CB 0.013 69.002 68.868 0.201 0.000 0.976 47 T HN 0.308 nan 8.240 nan 0.000 0.539 48 P HA -0.026 nan 4.420 nan 0.000 0.217 48 P C 1.041 178.356 177.300 0.025 0.000 1.148 48 P CA 1.082 64.180 63.100 -0.002 0.000 0.834 48 P CB 0.099 31.747 31.700 -0.086 0.000 0.783 49 L N -2.999 118.271 121.223 0.079 0.000 2.612 49 L HA 0.243 4.583 4.340 -0.001 0.000 0.230 49 L C 1.337 178.255 176.870 0.080 0.000 1.140 49 L CA 0.612 55.501 54.840 0.081 0.000 0.896 49 L CB -0.784 41.347 42.059 0.121 0.000 1.065 49 L HN 0.153 nan 8.230 nan 0.000 0.447 50 G N 0.082 108.922 108.800 0.068 0.000 2.141 50 G HA2 -0.241 3.718 3.960 -0.001 0.000 0.242 50 G HA3 -0.241 3.718 3.960 -0.001 0.000 0.242 50 G C 0.290 175.229 174.900 0.065 0.000 0.982 50 G CA 0.184 45.316 45.100 0.053 0.000 0.662 50 G HN 0.280 nan 8.290 nan 0.000 0.527 51 T N 0.822 115.442 114.554 0.111 0.000 2.884 51 T HA 0.604 4.953 4.350 -0.001 0.000 0.298 51 T C 0.542 175.289 174.700 0.077 0.000 0.998 51 T CA 0.687 62.892 62.100 0.176 0.000 1.124 51 T CB 1.101 70.149 68.868 0.300 0.000 0.931 51 T HN 0.988 nan 8.240 nan 0.000 0.531 52 R N 0.770 121.320 120.500 0.085 0.000 2.795 52 R HA 0.821 5.160 4.340 -0.001 0.000 0.268 52 R C -1.908 174.465 176.300 0.122 0.000 1.041 52 R CA -1.278 54.684 56.100 -0.230 0.000 0.927 52 R CB 1.398 31.538 30.300 -0.267 0.000 1.235 52 R HN 0.721 nan 8.270 nan 0.000 0.463 53 W N -1.280 120.010 121.300 -0.016 0.000 2.937 53 W HA 0.744 5.403 4.660 -0.001 0.000 0.360 53 W C -0.705 175.802 176.519 -0.020 0.000 1.215 53 W CA -1.046 56.296 57.345 -0.005 0.000 1.183 53 W CB 0.032 29.499 29.460 0.012 0.000 1.458 53 W HN 0.848 nan 8.180 nan 0.000 0.574 54 G N 0.679 109.660 108.800 0.302 0.000 2.588 54 G HA2 0.398 4.358 3.960 -0.001 0.000 0.278 54 G HA3 0.398 4.358 3.960 -0.001 0.000 0.278 54 G C -0.739 174.269 174.900 0.181 0.000 1.307 54 G CA -0.728 44.487 45.100 0.191 0.000 1.016 54 G HN 0.842 nan 8.290 nan 0.000 0.503 55 L N -0.323 120.952 121.223 0.085 0.000 2.473 55 L HA 0.459 4.798 4.340 -0.001 0.000 0.265 55 L C 1.515 178.351 176.870 -0.057 0.000 1.243 55 L CA 2.242 57.064 54.840 -0.031 0.000 0.822 55 L CB 0.852 42.782 42.059 -0.214 0.000 1.101 55 L HN 1.288 nan 8.230 nan 0.000 0.507 56 G N 0.120 108.795 108.800 -0.209 0.000 3.031 56 G HA2 0.342 4.301 3.960 -0.001 0.000 0.198 56 G HA3 0.342 4.301 3.960 -0.001 0.000 0.198 56 G C 0.683 175.430 174.900 -0.255 0.000 1.242 56 G CA 0.139 45.036 45.100 -0.338 0.000 0.878 56 G HN 2.036 nan 8.290 nan 0.000 0.493 57 G N -1.703 107.055 108.800 -0.071 0.000 2.331 57 G HA2 0.350 4.309 3.960 -0.001 0.000 0.479 57 G HA3 0.350 4.309 3.960 -0.001 0.000 0.479 57 G C 0.555 175.452 174.900 -0.005 0.000 1.262 57 G CA 0.725 45.809 45.100 -0.026 0.000 1.029 57 G HN 1.115 nan 8.290 nan 0.000 0.487 58 T N -0.384 114.163 114.554 -0.011 0.000 2.812 58 T HA -0.090 4.259 4.350 -0.001 0.000 0.264 58 T C 2.390 177.004 174.700 -0.142 0.000 1.042 58 T CA 2.254 64.323 62.100 -0.052 0.000 1.140 58 T CB -0.521 68.347 68.868 0.001 0.000 0.870 58 T HN 0.865 nan 8.240 nan 0.000 0.445 59 c N 1.272 119.801 118.600 -0.118 0.000 2.388 59 c HA -0.091 4.479 4.570 -0.001 0.000 0.277 59 c C 2.788 176.772 174.090 -0.178 0.000 1.210 59 c CA 0.812 57.057 56.329 -0.139 0.000 1.743 59 c CB -1.182 41.268 42.510 -0.101 0.000 2.047 59 c HN 0.374 nan 8.230 nan 0.000 0.458 60 V N 1.708 121.531 119.914 -0.151 0.000 2.343 60 V HA -0.199 3.920 4.120 -0.001 0.000 0.247 60 V C 2.188 178.162 176.094 -0.200 0.000 1.051 60 V CA 2.479 64.699 62.300 -0.134 0.000 1.036 60 V CB -0.666 31.107 31.823 -0.083 0.000 0.654 60 V HN 0.605 nan 8.190 nan 0.000 0.451 61 N N -0.090 118.440 118.700 -0.284 0.000 2.439 61 N HA 0.024 4.763 4.740 -0.001 0.000 0.176 61 N C 1.059 176.260 175.510 -0.514 0.000 1.029 61 N CA 1.545 54.348 53.050 -0.412 0.000 0.886 61 N CB 1.063 39.150 38.487 -0.667 0.000 1.057 61 N HN 0.544 nan 8.380 nan 0.000 0.437 62 V N -3.022 116.571 119.914 -0.536 0.000 3.070 62 V HA 0.637 4.756 4.120 -0.001 0.000 0.355 62 V C 0.430 176.398 176.094 -0.211 0.000 1.400 62 V CA -0.384 61.720 62.300 -0.327 0.000 1.170 62 V CB 0.523 32.028 31.823 -0.530 0.000 1.169 62 V HN 0.141 nan 8.190 nan 0.000 0.554 63 G N -0.285 108.291 108.800 -0.374 0.000 3.354 63 G HA2 0.258 4.217 3.960 -0.001 0.000 0.174 63 G HA3 0.258 4.217 3.960 -0.001 0.000 0.174 63 G C 0.906 175.591 174.900 -0.358 0.000 1.140 63 G CA 0.617 45.560 45.100 -0.261 0.000 0.897 63 G HN 0.239 nan 8.290 nan 0.000 0.685 64 c N 0.479 118.942 118.600 -0.228 0.000 2.299 64 c HA -0.166 4.403 4.570 -0.001 0.000 0.274 64 c C 2.722 176.629 174.090 -0.305 0.000 1.152 64 c CA 1.149 57.346 56.329 -0.220 0.000 1.787 64 c CB -1.490 40.933 42.510 -0.146 0.000 1.958 64 c HN 0.454 nan 8.230 nan 0.000 0.424 65 I N 2.617 123.028 120.570 -0.265 0.000 2.087 65 I HA -0.174 3.995 4.170 -0.001 0.000 0.240 65 I C 0.015 175.921 176.117 -0.352 0.000 1.054 65 I CA 2.210 63.362 61.300 -0.245 0.000 1.311 65 I CB -1.857 36.055 38.000 -0.147 0.000 1.024 65 I HN 0.328 nan 8.210 nan 0.000 0.402 66 P HA -0.200 nan 4.420 nan 0.000 0.221 66 P C 1.622 178.479 177.300 -0.739 0.000 1.150 66 P CA 1.433 64.151 63.100 -0.637 0.000 0.800 66 P CB -0.127 31.065 31.700 -0.846 0.000 0.787 67 K N 1.306 121.217 120.400 -0.815 0.000 2.026 67 K HA -0.180 4.139 4.320 -0.001 0.000 0.208 67 K C 2.141 178.532 176.600 -0.349 0.000 1.048 67 K CA 1.714 57.722 56.287 -0.466 0.000 0.929 67 K CB -0.476 31.890 32.500 -0.223 0.000 0.713 67 K HN -0.127 nan 8.250 nan 0.000 0.439 68 K N 1.092 121.271 120.400 -0.369 0.000 2.057 68 K HA -0.036 4.283 4.320 -0.001 0.000 0.207 68 K C 2.235 178.686 176.600 -0.250 0.000 1.049 68 K CA 1.142 57.219 56.287 -0.350 0.000 0.931 68 K CB -0.269 31.976 32.500 -0.424 0.000 0.714 68 K HN 0.185 nan 8.250 nan 0.000 0.440 69 L N -0.319 120.731 121.223 -0.287 0.000 2.083 69 L HA -0.151 4.189 4.340 -0.001 0.000 0.209 69 L C 2.414 179.126 176.870 -0.265 0.000 1.083 69 L CA 1.372 56.061 54.840 -0.252 0.000 0.752 69 L CB -0.354 41.562 42.059 -0.239 0.000 0.899 69 L HN 0.265 nan 8.230 nan 0.000 0.433 70 M N -1.593 117.774 119.600 -0.387 0.000 2.419 70 M HA -0.131 4.348 4.480 -0.001 0.000 0.264 70 M C 2.191 178.313 176.300 -0.298 0.000 1.082 70 M CA 0.830 55.849 55.300 -0.468 0.000 1.119 70 M CB -0.359 31.672 32.600 -0.948 0.000 1.398 70 M HN 0.219 nan 8.290 nan 0.000 0.453 71 H N 0.628 119.512 119.070 -0.309 0.000 2.326 71 H HA -0.184 4.371 4.556 -0.001 0.000 0.301 71 H C 2.018 177.326 175.328 -0.032 0.000 1.081 71 H CA 2.178 58.200 56.048 -0.042 0.000 1.334 71 H CB -0.103 29.661 29.762 0.004 0.000 1.385 71 H HN 0.264 nan 8.280 nan 0.000 0.504 72 Q N 0.658 120.340 119.800 -0.197 0.000 2.135 72 Q HA -0.069 4.270 4.340 -0.001 0.000 0.204 72 Q C 2.369 178.271 176.000 -0.163 0.000 0.981 72 Q CA 2.025 57.694 55.803 -0.223 0.000 0.856 72 Q CB -0.852 27.781 28.738 -0.174 0.000 0.902 72 Q HN 0.552 nan 8.270 nan 0.000 0.425 73 A N 0.218 122.955 122.820 -0.139 0.000 1.940 73 A HA -0.053 4.266 4.320 -0.001 0.000 0.219 73 A C 2.287 179.805 177.584 -0.110 0.000 1.176 73 A CA 1.986 53.956 52.037 -0.112 0.000 0.631 73 A CB -1.127 17.805 19.000 -0.115 0.000 0.814 73 A HN 0.549 nan 8.150 nan 0.000 0.446 74 A N -0.580 122.194 122.820 -0.076 0.000 1.929 74 A HA 0.081 4.400 4.320 -0.001 0.000 0.216 74 A C 2.157 179.709 177.584 -0.053 0.000 1.176 74 A CA 1.250 53.270 52.037 -0.027 0.000 0.628 74 A CB -0.503 18.562 19.000 0.108 0.000 0.816 74 A HN 0.450 nan 8.150 nan 0.000 0.444 75 L N -0.497 120.652 121.223 -0.122 0.000 2.046 75 L HA -0.176 4.163 4.340 -0.001 0.000 0.208 75 L C 2.510 179.333 176.870 -0.077 0.000 1.077 75 L CA 1.088 55.855 54.840 -0.121 0.000 0.747 75 L CB -0.453 41.474 42.059 -0.220 0.000 0.896 75 L HN 0.382 nan 8.230 nan 0.000 0.432 76 L N -0.706 120.465 121.223 -0.086 0.000 2.127 76 L HA -0.172 4.167 4.340 -0.001 0.000 0.211 76 L C 2.618 179.460 176.870 -0.046 0.000 1.089 76 L CA 1.234 56.033 54.840 -0.068 0.000 0.757 76 L CB -1.147 40.870 42.059 -0.070 0.000 0.899 76 L HN 0.352 nan 8.230 nan 0.000 0.434 77 G N -0.573 108.203 108.800 -0.040 0.000 2.440 77 G HA2 -0.364 3.596 3.960 -0.001 0.000 0.218 77 G HA3 -0.364 3.596 3.960 -0.001 0.000 0.218 77 G C 1.488 176.381 174.900 -0.012 0.000 1.154 77 G CA 0.904 45.994 45.100 -0.018 0.000 0.767 77 G HN 0.325 nan 8.290 nan 0.000 0.552 78 Q N 0.617 120.403 119.800 -0.023 0.000 2.084 78 Q HA 0.079 4.418 4.340 -0.001 0.000 0.202 78 Q C 2.679 178.671 176.000 -0.013 0.000 0.978 78 Q CA 2.020 57.808 55.803 -0.026 0.000 0.844 78 Q CB -0.564 28.146 28.738 -0.047 0.000 0.898 78 Q HN 0.378 nan 8.270 nan 0.000 0.426 79 A N 0.211 123.017 122.820 -0.022 0.000 1.908 79 A HA -0.163 4.156 4.320 -0.001 0.000 0.218 79 A C 2.095 179.666 177.584 -0.023 0.000 1.181 79 A CA 1.475 53.495 52.037 -0.028 0.000 0.627 79 A CB -0.838 18.127 19.000 -0.059 0.000 0.818 79 A HN 0.471 nan 8.150 nan 0.000 0.445 80 L N -0.959 120.250 121.223 -0.022 0.000 1.990 80 L HA -0.307 4.032 4.340 -0.001 0.000 0.213 80 L C 2.959 179.850 176.870 0.035 0.000 1.072 80 L CA 1.998 56.832 54.840 -0.009 0.000 0.755 80 L CB -0.636 41.425 42.059 0.002 0.000 0.889 80 L HN 0.481 nan 8.230 nan 0.000 0.432 81 Q N -0.415 119.409 119.800 0.039 0.000 2.096 81 Q HA -0.231 4.108 4.340 -0.001 0.000 0.204 81 Q C 1.835 177.893 176.000 0.097 0.000 0.982 81 Q CA 1.695 57.534 55.803 0.060 0.000 0.850 81 Q CB -0.086 28.677 28.738 0.041 0.000 0.901 81 Q HN 0.480 nan 8.270 nan 0.000 0.422 82 D N -0.394 120.068 120.400 0.104 0.000 2.219 82 D HA -0.114 4.525 4.640 -0.001 0.000 0.205 82 D C 2.043 178.519 176.300 0.292 0.000 0.970 82 D CA 1.317 55.430 54.000 0.188 0.000 0.851 82 D CB -0.225 40.680 40.800 0.175 0.000 0.943 82 D HN 0.225 nan 8.370 nan 0.000 0.488 83 S N 0.424 116.252 115.700 0.212 0.000 2.399 83 S HA -0.166 4.303 4.470 -0.001 0.000 0.231 83 S C 1.934 176.781 174.600 0.413 0.000 1.022 83 S CA 0.573 58.968 58.200 0.324 0.000 0.983 83 S CB -0.162 63.115 63.200 0.130 0.000 0.803 83 S HN 0.153 nan 8.310 nan 0.000 0.480 84 R N 1.813 122.471 120.500 0.263 0.000 2.094 84 R HA -0.080 4.259 4.340 -0.001 0.000 0.239 84 R C 2.035 178.430 176.300 0.158 0.000 1.137 84 R CA 2.092 58.313 56.100 0.201 0.000 0.943 84 R CB -0.671 29.708 30.300 0.131 0.000 0.850 84 R HN 0.564 nan 8.270 nan 0.000 0.433 85 N N -0.609 118.166 118.700 0.126 0.000 2.453 85 N HA -0.141 4.598 4.740 -0.001 0.000 0.183 85 N C 0.760 176.242 175.510 -0.047 0.000 1.041 85 N CA 0.871 53.929 53.050 0.014 0.000 0.900 85 N CB -0.086 38.373 38.487 -0.046 0.000 0.961 85 N HN 0.274 nan 8.380 nan 0.000 0.443 86 Y N -0.438 119.923 120.300 0.101 0.000 2.529 86 Y HA 0.223 4.772 4.550 -0.001 0.000 0.290 86 Y C 1.747 177.628 175.900 -0.031 0.000 1.177 86 Y CA 0.336 58.485 58.100 0.082 0.000 1.305 86 Y CB 0.159 38.733 38.460 0.190 0.000 1.047 86 Y HN 0.164 nan 8.280 nan 0.000 0.522 87 G N -1.838 106.998 108.800 0.060 0.000 2.218 87 G HA2 -0.251 3.708 3.960 -0.001 0.000 0.216 87 G HA3 -0.251 3.708 3.960 -0.001 0.000 0.216 87 G C -0.130 174.677 174.900 -0.156 0.000 0.994 87 G CA -0.566 44.466 45.100 -0.113 0.000 0.637 87 G HN 0.251 nan 8.290 nan 0.000 0.505 88 W N 2.445 123.792 121.300 0.078 0.000 2.303 88 W HA 0.552 5.211 4.660 -0.001 0.000 0.318 88 W C 0.898 177.444 176.519 0.045 0.000 1.362 88 W CA -0.365 57.013 57.345 0.055 0.000 1.234 88 W CB 0.607 30.100 29.460 0.055 0.000 1.248 88 W HN -0.071 nan 8.180 nan 0.000 0.546 89 K N 3.600 124.152 120.400 0.253 0.000 2.111 89 K HA 0.266 4.585 4.320 -0.001 0.000 0.249 89 K C -0.691 176.004 176.600 0.157 0.000 1.157 89 K CA -0.203 56.178 56.287 0.156 0.000 1.048 89 K CB 0.057 32.617 32.500 0.100 0.000 1.498 89 K HN 0.202 nan 8.250 nan 0.000 0.344 90 V N 1.751 121.754 119.914 0.148 0.000 2.604 90 V HA 0.149 4.269 4.120 -0.001 0.000 0.305 90 V C 0.392 176.535 176.094 0.082 0.000 1.043 90 V CA -1.101 61.265 62.300 0.110 0.000 0.888 90 V CB 1.886 33.774 31.823 0.108 0.000 0.995 90 V HN 0.634 nan 8.190 nan 0.000 0.429 91 E N 1.906 122.144 120.200 0.063 0.000 2.458 91 E HA -0.110 4.239 4.350 -0.001 0.000 0.264 91 E C 1.027 177.658 176.600 0.051 0.000 1.097 91 E CA 0.419 56.851 56.400 0.052 0.000 0.973 91 E CB 0.794 30.521 29.700 0.044 0.000 0.963 91 E HN 0.841 nan 8.360 nan 0.000 0.451 92 E N 1.443 121.670 120.200 0.045 0.000 2.077 92 E HA -0.141 4.208 4.350 -0.001 0.000 0.193 92 E C 0.080 176.704 176.600 0.041 0.000 0.989 92 E CA 1.775 58.200 56.400 0.042 0.000 0.800 92 E CB 0.072 29.793 29.700 0.035 0.000 0.746 92 E HN 0.470 nan 8.360 nan 0.000 0.452 93 T N -1.366 113.211 114.554 0.040 0.000 2.881 93 T HA 0.597 4.947 4.350 -0.001 0.000 0.291 93 T C -0.646 174.081 174.700 0.045 0.000 0.990 93 T CA -1.039 61.086 62.100 0.041 0.000 0.976 93 T CB 1.592 70.483 68.868 0.038 0.000 0.970 93 T HN -0.069 nan 8.240 nan 0.000 0.438 94 V N 4.141 124.086 119.914 0.050 0.000 2.547 94 V HA 0.516 4.635 4.120 -0.001 0.000 0.299 94 V C 0.129 176.266 176.094 0.072 0.000 1.040 94 V CA -1.078 61.255 62.300 0.054 0.000 0.913 94 V CB 1.730 33.583 31.823 0.050 0.000 0.992 94 V HN 0.809 nan 8.190 nan 0.000 0.449 95 K N 3.231 123.673 120.400 0.070 0.000 2.185 95 K HA 0.359 4.678 4.320 -0.001 0.000 0.271 95 K C -0.366 176.309 176.600 0.125 0.000 1.013 95 K CA -0.345 55.994 56.287 0.088 0.000 0.943 95 K CB 0.882 33.417 32.500 0.059 0.000 0.998 95 K HN 0.800 nan 8.250 nan 0.000 0.468 96 H N 1.390 120.498 119.070 0.063 0.000 2.492 96 H HA 0.186 4.742 4.556 -0.001 0.000 0.345 96 H C -1.241 174.149 175.328 0.104 0.000 1.136 96 H CA -0.343 55.751 56.048 0.077 0.000 1.202 96 H CB 1.656 31.476 29.762 0.096 0.000 1.524 96 H HN 0.555 nan 8.280 nan 0.000 0.506 97 D N 5.547 125.544 120.400 -0.672 0.000 2.460 97 D HA -0.044 4.595 4.640 -0.001 0.000 0.232 97 D C 1.057 177.149 176.300 -0.347 0.000 1.079 97 D CA -0.479 53.309 54.000 -0.352 0.000 0.864 97 D CB 0.448 41.133 40.800 -0.192 0.000 1.048 97 D HN 0.657 nan 8.370 nan 0.000 0.523 98 W N 4.454 125.654 121.300 -0.166 0.000 2.301 98 W HA -0.269 4.390 4.660 -0.001 0.000 0.325 98 W C 0.798 177.314 176.519 -0.004 0.000 1.250 98 W CA 1.511 58.873 57.345 0.029 0.000 1.261 98 W CB 0.055 29.568 29.460 0.088 0.000 1.157 98 W HN 0.458 nan 8.180 nan 0.000 0.473 99 D N -0.050 120.452 120.400 0.169 0.000 2.127 99 D HA -0.268 4.371 4.640 -0.001 0.000 0.190 99 D C 2.054 178.305 176.300 -0.082 0.000 1.000 99 D CA 2.525 56.552 54.000 0.045 0.000 0.839 99 D CB -0.730 40.133 40.800 0.106 0.000 0.955 99 D HN 0.034 nan 8.370 nan 0.000 0.446 100 R N 0.710 121.161 120.500 -0.082 0.000 2.103 100 R HA -0.101 4.238 4.340 -0.001 0.000 0.242 100 R C 2.184 178.408 176.300 -0.126 0.000 1.142 100 R CA 1.473 57.516 56.100 -0.095 0.000 0.960 100 R CB -0.865 29.375 30.300 -0.100 0.000 0.858 100 R HN 0.303 nan 8.270 nan 0.000 0.439 101 M N -0.636 118.862 119.600 -0.170 0.000 2.175 101 M HA -0.115 4.364 4.480 -0.001 0.000 0.264 101 M C 1.415 177.560 176.300 -0.257 0.000 1.063 101 M CA 1.556 56.757 55.300 -0.165 0.000 1.119 101 M CB 0.020 32.577 32.600 -0.071 0.000 1.377 101 M HN 0.169 nan 8.290 nan 0.000 0.415 102 I N 0.101 120.443 120.570 -0.380 0.000 2.286 102 I HA -0.209 3.960 4.170 -0.001 0.000 0.245 102 I C 2.278 178.293 176.117 -0.169 0.000 1.104 102 I CA 1.171 62.264 61.300 -0.346 0.000 1.397 102 I CB -1.571 36.186 38.000 -0.405 0.000 1.072 102 I HN 0.302 nan 8.210 nan 0.000 0.417 103 E N 1.213 121.338 120.200 -0.125 0.000 2.118 103 E HA -0.183 4.166 4.350 -0.001 0.000 0.195 103 E C 2.271 178.832 176.600 -0.064 0.000 0.992 103 E CA 1.565 57.923 56.400 -0.070 0.000 0.804 103 E CB -0.107 29.564 29.700 -0.049 0.000 0.741 103 E HN 0.459 nan 8.360 nan 0.000 0.458 104 A N 0.220 122.992 122.820 -0.080 0.000 1.898 104 A HA -0.107 4.212 4.320 -0.001 0.000 0.216 104 A C 2.604 180.160 177.584 -0.047 0.000 1.181 104 A CA 1.394 53.394 52.037 -0.061 0.000 0.620 104 A CB -0.565 18.392 19.000 -0.072 0.000 0.819 104 A HN 0.154 nan 8.150 nan 0.000 0.442 105 V N -0.012 119.854 119.914 -0.079 0.000 2.307 105 V HA -0.237 3.882 4.120 -0.001 0.000 0.245 105 V C 2.714 178.788 176.094 -0.032 0.000 1.045 105 V CA 1.975 64.235 62.300 -0.067 0.000 1.024 105 V CB -0.707 31.038 31.823 -0.129 0.000 0.651 105 V HN 0.509 nan 8.190 nan 0.000 0.449 106 Q N -0.093 119.681 119.800 -0.044 0.000 2.170 106 Q HA -0.178 4.161 4.340 -0.001 0.000 0.203 106 Q C 2.064 178.058 176.000 -0.011 0.000 0.976 106 Q CA 1.585 57.374 55.803 -0.023 0.000 0.858 106 Q CB -0.680 28.049 28.738 -0.014 0.000 0.907 106 Q HN 0.711 nan 8.270 nan 0.000 0.433 107 N N -0.350 118.346 118.700 -0.007 0.000 2.120 107 N HA -0.173 4.566 4.740 -0.001 0.000 0.188 107 N C 1.649 177.167 175.510 0.012 0.000 1.024 107 N CA 1.153 54.203 53.050 0.000 0.000 0.852 107 N CB -0.146 38.341 38.487 -0.001 0.000 1.003 107 N HN 0.287 nan 8.380 nan 0.000 0.424 108 H N 0.173 119.213 119.070 -0.050 0.000 2.395 108 H HA 0.147 4.702 4.556 -0.001 0.000 0.299 108 H C 1.757 177.064 175.328 -0.034 0.000 1.070 108 H CA 1.169 57.187 56.048 -0.049 0.000 1.356 108 H CB -0.087 29.630 29.762 -0.076 0.000 1.401 108 H HN 0.200 nan 8.280 nan 0.000 0.524 109 I N -0.357 120.130 120.570 -0.138 0.000 2.315 109 I HA -0.153 4.016 4.170 -0.001 0.000 0.248 109 I C 2.634 178.696 176.117 -0.091 0.000 1.117 109 I CA 1.114 62.325 61.300 -0.148 0.000 1.404 109 I CB -0.445 37.504 38.000 -0.085 0.000 1.071 109 I HN 0.439 nan 8.210 nan 0.000 0.419 110 G N 0.388 109.162 108.800 -0.044 0.000 2.422 110 G HA2 -0.296 3.663 3.960 -0.001 0.000 0.218 110 G HA3 -0.296 3.663 3.960 -0.001 0.000 0.218 110 G C 1.799 176.721 174.900 0.037 0.000 1.146 110 G CA 1.098 46.207 45.100 0.016 0.000 0.769 110 G HN 0.504 nan 8.290 nan 0.000 0.547 111 S N 0.158 115.834 115.700 -0.040 0.000 2.428 111 S HA 0.095 4.564 4.470 -0.001 0.000 0.230 111 S C 2.310 176.892 174.600 -0.030 0.000 1.014 111 S CA 0.785 58.984 58.200 -0.002 0.000 0.957 111 S CB -0.242 62.930 63.200 -0.047 0.000 0.784 111 S HN 0.282 nan 8.310 nan 0.000 0.499 112 L N 1.265 122.403 121.223 -0.142 0.000 2.179 112 L HA 0.022 4.361 4.340 -0.001 0.000 0.208 112 L C 2.577 179.487 176.870 0.067 0.000 1.096 112 L CA 0.724 55.498 54.840 -0.109 0.000 0.779 112 L CB -0.678 41.311 42.059 -0.116 0.000 0.922 112 L HN 0.267 nan 8.230 nan 0.000 0.443 113 N N -0.234 118.523 118.700 0.095 0.000 2.043 113 N HA -0.267 4.472 4.740 -0.001 0.000 0.193 113 N C 1.544 177.123 175.510 0.116 0.000 1.037 113 N CA 1.495 54.628 53.050 0.139 0.000 0.851 113 N CB -0.394 38.187 38.487 0.157 0.000 1.027 113 N HN 0.453 nan 8.380 nan 0.000 0.422 114 W N 1.810 123.098 121.300 -0.021 0.000 2.355 114 W HA -0.116 4.543 4.660 -0.001 0.000 0.309 114 W C 2.171 178.652 176.519 -0.062 0.000 1.206 114 W CA 1.621 58.947 57.345 -0.032 0.000 1.284 114 W CB -0.634 28.802 29.460 -0.039 0.000 1.145 114 W HN 0.097 nan 8.180 nan 0.000 0.502 115 G N -0.499 108.216 108.800 -0.142 0.000 2.476 115 G HA2 -0.365 3.594 3.960 -0.001 0.000 0.218 115 G HA3 -0.365 3.594 3.960 -0.001 0.000 0.218 115 G C 1.176 175.847 174.900 -0.381 0.000 1.164 115 G CA 1.221 46.151 45.100 -0.284 0.000 0.768 115 G HN 0.270 nan 8.290 nan 0.000 0.560 116 Y N 0.568 120.730 120.300 -0.230 0.000 2.165 116 Y HA -0.062 4.487 4.550 -0.001 0.000 0.286 116 Y C 3.096 178.789 175.900 -0.345 0.000 1.155 116 Y CA 1.503 59.452 58.100 -0.251 0.000 1.164 116 Y CB -0.386 37.937 38.460 -0.228 0.000 0.978 116 Y HN 0.056 nan 8.280 nan 0.000 0.513 117 R N -0.592 119.728 120.500 -0.300 0.000 2.096 117 R HA -0.167 4.173 4.340 -0.001 0.000 0.240 117 R C 2.216 178.275 176.300 -0.402 0.000 1.139 117 R CA 1.797 57.638 56.100 -0.432 0.000 0.952 117 R CB -0.752 29.178 30.300 -0.616 0.000 0.854 117 R HN 0.161 nan 8.270 nan 0.000 0.436 118 V N 0.348 119.966 119.914 -0.493 0.000 2.427 118 V HA -0.207 3.912 4.120 -0.001 0.000 0.248 118 V C 2.276 178.239 176.094 -0.218 0.000 1.051 118 V CA 1.841 63.927 62.300 -0.356 0.000 1.048 118 V CB -0.664 30.951 31.823 -0.347 0.000 0.666 118 V HN 0.469 nan 8.190 nan 0.000 0.456 119 A N -0.022 122.671 122.820 -0.213 0.000 1.902 119 A HA -0.169 4.150 4.320 -0.001 0.000 0.217 119 A C 2.205 179.724 177.584 -0.108 0.000 1.181 119 A CA 1.834 53.781 52.037 -0.149 0.000 0.623 119 A CB -0.540 18.369 19.000 -0.151 0.000 0.818 119 A HN 0.509 nan 8.150 nan 0.000 0.443 120 L N -1.181 119.974 121.223 -0.113 0.000 2.046 120 L HA -0.170 4.169 4.340 -0.001 0.000 0.208 120 L C 2.796 179.627 176.870 -0.066 0.000 1.077 120 L CA 1.295 56.084 54.840 -0.084 0.000 0.747 120 L CB -0.524 41.475 42.059 -0.101 0.000 0.896 120 L HN 0.293 nan 8.230 nan 0.000 0.432 121 R N 0.995 121.446 120.500 -0.082 0.000 2.083 121 R HA -0.178 4.162 4.340 -0.001 0.000 0.237 121 R C 2.009 178.280 176.300 -0.049 0.000 1.137 121 R CA 1.785 57.851 56.100 -0.057 0.000 0.951 121 R CB -0.495 29.758 30.300 -0.078 0.000 0.851 121 R HN 0.463 nan 8.270 nan 0.000 0.434 122 E N 0.217 120.378 120.200 -0.065 0.000 2.106 122 E HA -0.132 4.217 4.350 -0.001 0.000 0.192 122 E C 1.504 178.073 176.600 -0.051 0.000 0.984 122 E CA 0.879 57.245 56.400 -0.056 0.000 0.806 122 E CB -0.005 29.655 29.700 -0.067 0.000 0.750 122 E HN 0.280 nan 8.360 nan 0.000 0.458 123 K N 0.709 121.075 120.400 -0.055 0.000 2.505 123 K HA 0.042 4.362 4.320 -0.001 0.000 0.192 123 K C 0.105 176.681 176.600 -0.041 0.000 1.025 123 K CA 0.096 56.352 56.287 -0.053 0.000 1.086 123 K CB 0.235 32.702 32.500 -0.056 0.000 0.840 123 K HN 0.050 nan 8.250 nan 0.000 0.514 124 K N 0.581 120.962 120.400 -0.031 0.000 3.071 124 K HA -0.138 4.181 4.320 -0.001 0.000 0.265 124 K C -0.621 175.977 176.600 -0.004 0.000 1.060 124 K CA 0.213 56.491 56.287 -0.015 0.000 0.767 124 K CB -1.605 30.886 32.500 -0.015 0.000 1.241 124 K HN -0.041 nan 8.250 nan 0.000 0.486 125 V N 1.438 121.345 119.914 -0.011 0.000 2.439 125 V HA 0.221 4.340 4.120 -0.001 0.000 0.282 125 V C 0.618 176.716 176.094 0.007 0.000 1.039 125 V CA -0.776 61.516 62.300 -0.013 0.000 0.913 125 V CB 1.864 33.666 31.823 -0.036 0.000 0.983 125 V HN 0.043 nan 8.190 nan 0.000 0.460 126 V N 5.712 125.628 119.914 0.004 0.000 2.530 126 V HA 0.237 4.356 4.120 -0.001 0.000 0.282 126 V C -0.551 175.549 176.094 0.011 0.000 1.048 126 V CA -0.342 61.967 62.300 0.015 0.000 0.997 126 V CB 0.917 32.762 31.823 0.037 0.000 0.987 126 V HN 0.764 nan 8.190 nan 0.000 0.477 127 Y N 4.226 124.473 120.300 -0.088 0.000 2.350 127 Y HA 0.579 5.129 4.550 -0.001 0.000 0.338 127 Y C -0.314 175.551 175.900 -0.057 0.000 0.961 127 Y CA -1.077 56.968 58.100 -0.091 0.000 1.100 127 Y CB 1.580 39.995 38.460 -0.074 0.000 1.179 127 Y HN 0.670 nan 8.280 nan 0.000 0.454 128 E N 5.223 125.143 120.200 -0.466 0.000 2.199 128 E HA 0.133 4.482 4.350 -0.001 0.000 0.265 128 E C -1.105 175.184 176.600 -0.518 0.000 0.882 128 E CA -0.718 55.393 56.400 -0.482 0.000 0.759 128 E CB 1.690 31.281 29.700 -0.180 0.000 1.148 128 E HN 0.804 nan 8.360 nan 0.000 0.412 129 N N 2.456 120.839 118.700 -0.530 0.000 3.124 129 N HA 0.246 4.986 4.740 -0.001 0.000 0.284 129 N C -1.157 174.442 175.510 0.149 0.000 1.209 129 N CA -0.062 52.889 53.050 -0.165 0.000 1.149 129 N CB 0.183 38.599 38.487 -0.118 0.000 1.434 129 N HN 0.411 nan 8.380 nan 0.000 0.529 130 A N 2.050 124.978 122.820 0.181 0.000 2.515 130 A HA 0.311 4.630 4.320 -0.001 0.000 0.296 130 A C -1.721 175.963 177.584 0.167 0.000 1.094 130 A CA -0.618 51.537 52.037 0.196 0.000 0.718 130 A CB 0.912 19.966 19.000 0.089 0.000 1.307 130 A HN 0.574 nan 8.150 nan 0.000 0.408 131 Y N 0.890 121.065 120.300 -0.209 0.000 2.336 131 Y HA 0.489 5.039 4.550 -0.001 0.000 0.335 131 Y C 0.753 176.595 175.900 -0.097 0.000 1.046 131 Y CA 0.470 58.440 58.100 -0.216 0.000 1.198 131 Y CB 0.980 39.111 38.460 -0.549 0.000 1.182 131 Y HN 0.782 nan 8.280 nan 0.000 0.502 132 G N 5.281 113.994 108.800 -0.145 0.000 2.388 132 G HA2 0.549 4.508 3.960 -0.001 0.000 0.330 132 G HA3 0.549 4.508 3.960 -0.001 0.000 0.330 132 G C -1.846 173.047 174.900 -0.011 0.000 1.142 132 G CA -0.789 44.286 45.100 -0.042 0.000 0.908 132 G HN 0.712 nan 8.290 nan 0.000 0.473 133 Q N 0.961 120.778 119.800 0.029 0.000 2.320 133 Q HA 0.454 4.793 4.340 -0.001 0.000 0.272 133 Q C -1.504 174.504 176.000 0.014 0.000 1.023 133 Q CA -0.919 54.930 55.803 0.078 0.000 0.855 133 Q CB 1.518 30.369 28.738 0.189 0.000 1.367 133 Q HN 0.353 nan 8.270 nan 0.000 0.406 134 F N 2.128 122.084 119.950 0.011 0.000 2.496 134 F HA 0.175 4.701 4.527 -0.001 0.000 0.344 134 F C 1.400 177.196 175.800 -0.006 0.000 1.155 134 F CA 0.288 58.261 58.000 -0.045 0.000 1.302 134 F CB 0.686 39.615 39.000 -0.119 0.000 1.159 134 F HN 0.694 nan 8.300 nan 0.000 0.595 135 I N -1.637 119.054 120.570 0.202 0.000 4.779 135 I HA 0.633 4.803 4.170 -0.001 0.000 0.339 135 I C 0.376 176.561 176.117 0.113 0.000 1.293 135 I CA 0.004 61.380 61.300 0.126 0.000 1.324 135 I CB 0.632 38.687 38.000 0.092 0.000 1.424 135 I HN 0.566 nan 8.210 nan 0.000 0.489 136 G N 1.664 110.549 108.800 0.141 0.000 2.356 136 G HA2 0.361 4.320 3.960 -0.001 0.000 0.294 136 G HA3 0.361 4.320 3.960 -0.001 0.000 0.294 136 G C -3.330 171.660 174.900 0.150 0.000 1.423 136 G CA -0.790 44.380 45.100 0.117 0.000 0.806 136 G HN -0.190 nan 8.290 nan 0.000 0.527 137 P HA 0.065 nan 4.420 nan 0.000 0.261 137 P C 0.119 177.606 177.300 0.311 0.000 1.183 137 P CA 0.897 64.129 63.100 0.219 0.000 0.761 137 P CB -0.080 31.749 31.700 0.216 0.000 0.785 138 H N -0.093 119.046 119.070 0.115 0.000 2.958 138 H HA -0.177 4.378 4.556 -0.001 0.000 0.274 138 H C 0.085 175.604 175.328 0.318 0.000 1.184 138 H CA 0.980 57.127 56.048 0.165 0.000 1.143 138 H CB -0.899 28.900 29.762 0.060 0.000 1.297 138 H HN 0.577 nan 8.280 nan 0.000 0.356 139 R N -0.034 120.649 120.500 0.305 0.000 2.725 139 R HA 0.777 5.116 4.340 -0.001 0.000 0.277 139 R C -0.640 175.773 176.300 0.189 0.000 0.987 139 R CA -0.674 55.610 56.100 0.306 0.000 0.901 139 R CB 2.953 33.395 30.300 0.237 0.000 1.207 139 R HN 0.160 nan 8.270 nan 0.000 0.463 140 I N 0.607 121.303 120.570 0.209 0.000 2.841 140 I HA 0.362 4.531 4.170 -0.001 0.000 0.298 140 I C -1.572 174.623 176.117 0.131 0.000 1.304 140 I CA -0.771 60.577 61.300 0.079 0.000 1.019 140 I CB 2.205 40.182 38.000 -0.037 0.000 1.282 140 I HN 0.517 nan 8.210 nan 0.000 0.432 141 K N 5.889 126.335 120.400 0.077 0.000 2.159 141 K HA 0.808 5.127 4.320 -0.001 0.000 0.266 141 K C -1.354 175.303 176.600 0.094 0.000 0.975 141 K CA -0.479 55.849 56.287 0.068 0.000 0.865 141 K CB 1.723 34.248 32.500 0.041 0.000 1.087 141 K HN 0.665 nan 8.250 nan 0.000 0.446 142 A N 3.088 125.972 122.820 0.106 0.000 2.304 142 A HA 0.463 4.783 4.320 -0.001 0.000 0.314 142 A C -1.020 176.601 177.584 0.062 0.000 1.187 142 A CA -0.626 51.492 52.037 0.135 0.000 0.810 142 A CB 1.323 20.501 19.000 0.297 0.000 1.183 142 A HN 0.693 nan 8.150 nan 0.000 0.487 143 T N 2.941 117.508 114.554 0.023 0.000 2.812 143 T HA 0.453 4.802 4.350 -0.001 0.000 0.282 143 T C 0.346 174.993 174.700 -0.089 0.000 0.990 143 T CA -0.643 61.428 62.100 -0.048 0.000 0.960 143 T CB 1.133 69.932 68.868 -0.114 0.000 0.948 143 T HN 0.901 nan 8.240 nan 0.000 0.438 144 N N 2.297 120.978 118.700 -0.033 0.000 2.547 144 N HA 0.206 4.946 4.740 -0.001 0.000 0.301 144 N C 1.078 176.613 175.510 0.041 0.000 1.328 144 N CA -0.644 52.425 53.050 0.032 0.000 0.932 144 N CB 0.137 38.672 38.487 0.081 0.000 1.104 144 N HN 0.503 nan 8.380 nan 0.000 0.548 145 N N -1.162 117.650 118.700 0.186 0.000 2.084 145 N HA -0.155 4.585 4.740 -0.001 0.000 0.190 145 N C 0.886 176.456 175.510 0.099 0.000 1.030 145 N CA 0.787 53.966 53.050 0.214 0.000 0.849 145 N CB 0.009 38.609 38.487 0.189 0.000 1.012 145 N HN 0.462 nan 8.380 nan 0.000 0.423 146 K N -0.196 120.240 120.400 0.060 0.000 2.437 146 K HA 0.027 4.347 4.320 -0.001 0.000 0.198 146 K C 0.501 177.105 176.600 0.007 0.000 1.024 146 K CA 0.530 56.836 56.287 0.031 0.000 1.148 146 K CB 0.238 32.755 32.500 0.028 0.000 0.860 146 K HN 0.397 nan 8.250 nan 0.000 0.515 147 G N 1.430 110.224 108.800 -0.009 0.000 2.217 147 G HA2 -0.212 3.747 3.960 -0.001 0.000 0.246 147 G HA3 -0.212 3.747 3.960 -0.001 0.000 0.246 147 G C -0.056 174.827 174.900 -0.030 0.000 0.990 147 G CA -0.142 44.936 45.100 -0.035 0.000 0.627 147 G HN 0.194 nan 8.290 nan 0.000 0.522 148 K N 1.735 122.128 120.400 -0.013 0.000 2.469 148 K HA 0.331 4.650 4.320 -0.001 0.000 0.274 148 K C 0.728 177.316 176.600 -0.020 0.000 0.983 148 K CA 0.634 56.913 56.287 -0.013 0.000 0.974 148 K CB 0.413 32.913 32.500 -0.000 0.000 0.913 148 K HN 0.732 nan 8.250 nan 0.000 0.493 149 E N 1.736 121.918 120.200 -0.029 0.000 2.359 149 E HA 0.527 4.876 4.350 -0.001 0.000 0.266 149 E C -0.786 175.773 176.600 -0.068 0.000 0.920 149 E CA -1.006 55.371 56.400 -0.038 0.000 0.788 149 E CB 2.353 32.029 29.700 -0.041 0.000 1.279 149 E HN 0.239 nan 8.360 nan 0.000 0.438 150 K N 0.746 121.080 120.400 -0.111 0.000 2.568 150 K HA 0.426 4.746 4.320 -0.001 0.000 0.273 150 K C -1.492 174.909 176.600 -0.331 0.000 0.951 150 K CA -0.730 55.402 56.287 -0.258 0.000 0.854 150 K CB 1.821 34.090 32.500 -0.384 0.000 1.424 150 K HN 0.272 nan 8.250 nan 0.000 0.427 151 I N 1.656 122.013 120.570 -0.356 0.000 2.607 151 I HA 0.464 4.634 4.170 -0.001 0.000 0.305 151 I C -1.017 174.913 176.117 -0.312 0.000 0.995 151 I CA -0.304 60.880 61.300 -0.192 0.000 1.148 151 I CB 0.951 38.922 38.000 -0.049 0.000 1.323 151 I HN 0.446 nan 8.210 nan 0.000 0.461 152 Y N 1.601 121.997 120.300 0.161 0.000 2.571 152 Y HA 0.604 5.153 4.550 -0.001 0.000 0.341 152 Y C -0.153 175.933 175.900 0.310 0.000 1.076 152 Y CA -0.960 57.274 58.100 0.223 0.000 1.029 152 Y CB 2.190 40.792 38.460 0.237 0.000 1.308 152 Y HN 0.539 nan 8.280 nan 0.000 0.461 153 S N 1.051 117.066 115.700 0.526 0.000 2.638 153 S HA 1.004 5.473 4.470 -0.001 0.000 0.302 153 S C -0.928 173.952 174.600 0.465 0.000 1.096 153 S CA -0.536 57.997 58.200 0.555 0.000 0.953 153 S CB 2.278 65.819 63.200 0.568 0.000 1.107 153 S HN 1.202 nan 8.310 nan 0.000 0.503 154 A N 0.286 123.310 122.820 0.341 0.000 2.604 154 A HA 0.619 4.938 4.320 -0.001 0.000 0.295 154 A C 0.293 177.677 177.584 -0.334 0.000 1.067 154 A CA -0.538 51.504 52.037 0.009 0.000 0.683 154 A CB 0.936 19.705 19.000 -0.386 0.000 1.281 154 A HN 0.925 nan 8.150 nan 0.000 0.407 155 E N 0.098 120.093 120.200 -0.341 0.000 2.110 155 E HA -0.080 4.269 4.350 -0.001 0.000 0.193 155 E C 0.378 177.018 176.600 0.067 0.000 0.988 155 E CA 1.036 57.230 56.400 -0.344 0.000 0.804 155 E CB 0.128 29.867 29.700 0.066 0.000 0.745 155 E HN 0.548 nan 8.360 nan 0.000 0.458 156 R N -1.182 119.416 120.500 0.164 0.000 2.808 156 R HA 0.437 4.776 4.340 -0.001 0.000 0.272 156 R C -1.358 175.122 176.300 0.300 0.000 0.995 156 R CA -0.716 55.608 56.100 0.373 0.000 0.917 156 R CB 1.320 31.814 30.300 0.323 0.000 1.217 156 R HN -0.122 nan 8.270 nan 0.000 0.471 157 F N 0.835 120.935 119.950 0.251 0.000 2.563 157 F HA 0.512 5.038 4.527 -0.001 0.000 0.316 157 F C -0.738 175.187 175.800 0.208 0.000 1.076 157 F CA -0.966 57.162 58.000 0.213 0.000 0.921 157 F CB 1.896 41.096 39.000 0.334 0.000 1.209 157 F HN 0.192 nan 8.300 nan 0.000 0.462 158 L N 4.389 125.794 121.223 0.303 0.000 2.372 158 L HA 0.629 4.969 4.340 -0.001 0.000 0.274 158 L C -1.270 175.716 176.870 0.192 0.000 0.988 158 L CA -0.294 54.678 54.840 0.220 0.000 0.833 158 L CB 1.015 43.143 42.059 0.115 0.000 1.236 158 L HN 0.447 nan 8.230 nan 0.000 0.410 159 I N 5.445 126.129 120.570 0.190 0.000 2.315 159 I HA 0.595 4.764 4.170 -0.001 0.000 0.291 159 I C 0.355 176.530 176.117 0.097 0.000 1.006 159 I CA -0.317 61.076 61.300 0.154 0.000 1.265 159 I CB 1.517 39.610 38.000 0.155 0.000 1.387 159 I HN 0.824 nan 8.210 nan 0.000 0.475 160 A N 3.560 126.419 122.820 0.066 0.000 3.415 160 A HA 0.284 4.603 4.320 -0.001 0.000 0.244 160 A C 0.765 178.368 177.584 0.032 0.000 0.988 160 A CA -0.403 51.662 52.037 0.046 0.000 0.991 160 A CB -0.294 18.725 19.000 0.031 0.000 1.240 160 A HN 0.751 nan 8.150 nan 0.000 0.541 161 T N -2.719 111.858 114.554 0.038 0.000 3.113 161 T HA 0.429 4.778 4.350 -0.001 0.000 0.256 161 T C 1.432 176.159 174.700 0.047 0.000 1.131 161 T CA 1.047 63.164 62.100 0.029 0.000 1.074 161 T CB -0.174 68.706 68.868 0.020 0.000 0.944 161 T HN 2.083 nan 8.240 nan 0.000 0.516 162 G N 1.475 110.306 108.800 0.052 0.000 2.552 162 G HA2 -0.158 3.801 3.960 -0.001 0.000 0.265 162 G HA3 -0.158 3.801 3.960 -0.001 0.000 0.265 162 G C -0.635 174.311 174.900 0.076 0.000 1.234 162 G CA 0.089 45.226 45.100 0.062 0.000 0.944 162 G HN 0.671 nan 8.290 nan 0.000 0.568 163 E N -0.701 119.554 120.200 0.092 0.000 2.446 163 E HA 0.784 5.133 4.350 -0.001 0.000 0.269 163 E C -0.453 176.228 176.600 0.135 0.000 0.977 163 E CA -1.167 55.296 56.400 0.104 0.000 0.854 163 E CB 1.695 31.450 29.700 0.091 0.000 1.545 163 E HN 0.539 nan 8.360 nan 0.000 0.448 164 R N 0.090 120.677 120.500 0.145 0.000 2.739 164 R HA 0.422 4.761 4.340 -0.001 0.000 0.271 164 R C -2.859 173.539 176.300 0.163 0.000 1.010 164 R CA -2.309 53.900 56.100 0.182 0.000 0.897 164 R CB 0.903 31.327 30.300 0.206 0.000 1.236 164 R HN 0.307 nan 8.270 nan 0.000 0.466 165 P HA 0.030 nan 4.420 nan 0.000 0.262 165 P C -0.287 177.093 177.300 0.133 0.000 1.182 165 P CA 0.163 63.332 63.100 0.114 0.000 0.761 165 P CB 0.508 32.254 31.700 0.075 0.000 0.795 166 R N 3.255 123.808 120.500 0.088 0.000 2.459 166 R HA 0.319 4.659 4.340 -0.001 0.000 0.281 166 R C -0.836 175.514 176.300 0.084 0.000 1.050 166 R CA -0.257 55.917 56.100 0.123 0.000 1.055 166 R CB 0.312 30.669 30.300 0.095 0.000 1.045 166 R HN 0.357 nan 8.270 nan 0.000 0.495 167 Y N 1.999 122.337 120.300 0.063 0.000 2.534 167 Y HA 0.208 4.757 4.550 -0.001 0.000 0.329 167 Y C 1.113 177.045 175.900 0.053 0.000 1.154 167 Y CA -0.555 57.579 58.100 0.058 0.000 1.192 167 Y CB 1.605 40.097 38.460 0.054 0.000 1.275 167 Y HN 0.515 nan 8.280 nan 0.000 0.491 168 L N 1.225 122.579 121.223 0.217 0.000 2.072 168 L HA 0.058 4.398 4.340 -0.001 0.000 0.205 168 L C 1.182 178.136 176.870 0.139 0.000 1.079 168 L CA 1.393 56.319 54.840 0.143 0.000 0.752 168 L CB -0.436 41.694 42.059 0.118 0.000 0.906 168 L HN 1.056 nan 8.230 nan 0.000 0.436 169 G N 0.954 109.852 108.800 0.163 0.000 2.255 169 G HA2 -0.222 3.737 3.960 -0.001 0.000 0.239 169 G HA3 -0.222 3.737 3.960 -0.001 0.000 0.239 169 G C -0.089 174.865 174.900 0.090 0.000 1.083 169 G CA 0.262 45.427 45.100 0.107 0.000 0.826 169 G HN 0.422 nan 8.290 nan 0.000 0.493 170 I N -3.044 117.590 120.570 0.107 0.000 2.892 170 I HA 0.790 4.960 4.170 -0.001 0.000 0.306 170 I C -2.222 173.955 176.117 0.100 0.000 1.078 170 I CA -3.396 57.959 61.300 0.092 0.000 1.032 170 I CB 2.229 40.286 38.000 0.094 0.000 1.229 170 I HN -0.088 nan 8.210 nan 0.000 0.435 171 P HA 0.046 nan 4.420 nan 0.000 0.258 171 P C 0.770 178.163 177.300 0.155 0.000 1.172 171 P CA 1.292 64.454 63.100 0.103 0.000 0.762 171 P CB 0.570 32.324 31.700 0.089 0.000 0.764 172 G N 3.734 112.644 108.800 0.183 0.000 2.213 172 G HA2 -0.261 3.698 3.960 -0.001 0.000 0.236 172 G HA3 -0.261 3.698 3.960 -0.001 0.000 0.236 172 G C 0.743 175.803 174.900 0.267 0.000 0.991 172 G CA 0.522 45.818 45.100 0.326 0.000 0.629 172 G HN 0.555 nan 8.290 nan 0.000 0.517 173 D N 1.231 121.757 120.400 0.211 0.000 2.077 173 D HA -0.081 4.558 4.640 -0.001 0.000 0.193 173 D C 1.984 178.491 176.300 0.344 0.000 0.989 173 D CA 1.659 55.840 54.000 0.302 0.000 0.831 173 D CB -0.699 40.326 40.800 0.376 0.000 0.979 173 D HN 0.446 nan 8.370 nan 0.000 0.449 174 K N 0.012 120.444 120.400 0.053 0.000 2.280 174 K HA -0.105 4.215 4.320 -0.001 0.000 0.202 174 K C 2.062 178.602 176.600 -0.100 0.000 1.047 174 K CA 1.200 57.348 56.287 -0.231 0.000 0.942 174 K CB 0.011 32.228 32.500 -0.472 0.000 0.739 174 K HN 0.227 nan 8.250 nan 0.000 0.457 175 E N -0.511 119.601 120.200 -0.147 0.000 2.060 175 E HA -0.091 4.259 4.350 -0.001 0.000 0.189 175 E C 1.089 177.421 176.600 -0.447 0.000 0.974 175 E CA 1.212 57.368 56.400 -0.407 0.000 0.808 175 E CB 0.007 29.271 29.700 -0.727 0.000 0.768 175 E HN 0.342 nan 8.360 nan 0.000 0.453 176 Y N -1.150 119.209 120.300 0.098 0.000 2.430 176 Y HA 0.286 4.835 4.550 -0.001 0.000 0.248 176 Y C 0.464 176.428 175.900 0.107 0.000 1.108 176 Y CA -0.753 57.402 58.100 0.092 0.000 1.264 176 Y CB 0.287 38.788 38.460 0.068 0.000 1.172 176 Y HN -0.045 nan 8.280 nan 0.000 0.520 177 C N 2.288 121.746 119.300 0.263 0.000 2.382 177 C HA 0.627 5.086 4.460 -0.001 0.000 0.363 177 C C 0.626 175.713 174.990 0.163 0.000 1.213 177 C CA -1.297 57.831 59.018 0.183 0.000 2.363 177 C CB 0.122 27.950 27.740 0.146 0.000 2.397 177 C HN 0.372 nan 8.230 nan 0.000 0.573 178 I N 0.615 121.232 120.570 0.078 0.000 2.863 178 I HA 0.833 5.002 4.170 -0.001 0.000 0.311 178 I C 0.083 176.180 176.117 -0.034 0.000 1.026 178 I CA -0.058 61.279 61.300 0.062 0.000 1.077 178 I CB 1.947 39.973 38.000 0.043 0.000 1.262 178 I HN 0.716 nan 8.210 nan 0.000 0.461 179 S N 1.277 116.961 115.700 -0.027 0.000 2.837 179 S HA 0.375 4.844 4.470 -0.001 0.000 0.314 179 S C 0.980 175.539 174.600 -0.068 0.000 1.098 179 S CA 0.072 58.221 58.200 -0.084 0.000 0.903 179 S CB 0.978 64.123 63.200 -0.091 0.000 1.310 179 S HN 0.888 nan 8.310 nan 0.000 0.581 180 S N 0.243 115.911 115.700 -0.054 0.000 2.423 180 S HA -0.112 4.357 4.470 -0.001 0.000 0.231 180 S C 1.037 175.610 174.600 -0.045 0.000 1.014 180 S CA 1.375 59.516 58.200 -0.098 0.000 0.965 180 S CB -0.999 62.249 63.200 0.081 0.000 0.785 180 S HN 0.680 nan 8.310 nan 0.000 0.495 181 D N 2.134 122.574 120.400 0.067 0.000 2.149 181 D HA -0.070 4.569 4.640 -0.001 0.000 0.198 181 D C 1.476 177.852 176.300 0.127 0.000 0.990 181 D CA 1.304 55.371 54.000 0.112 0.000 0.839 181 D CB -0.322 40.715 40.800 0.394 0.000 0.948 181 D HN 0.525 nan 8.370 nan 0.000 0.460 182 D N -0.394 120.067 120.400 0.103 0.000 2.271 182 D HA -0.040 4.599 4.640 -0.001 0.000 0.206 182 D C 2.166 178.472 176.300 0.011 0.000 0.967 182 D CA -0.042 54.018 54.000 0.099 0.000 0.867 182 D CB 0.081 40.946 40.800 0.108 0.000 0.960 182 D HN 0.124 nan 8.370 nan 0.000 0.509 183 L N 0.559 121.703 121.223 -0.132 0.000 2.046 183 L HA -0.130 4.209 4.340 -0.001 0.000 0.208 183 L C 1.686 178.473 176.870 -0.138 0.000 1.077 183 L CA 1.515 56.240 54.840 -0.190 0.000 0.747 183 L CB -0.679 41.126 42.059 -0.424 0.000 0.896 183 L HN -0.164 nan 8.230 nan 0.000 0.432 184 F N -0.554 119.447 119.950 0.086 0.000 2.641 184 F HA -0.007 4.520 4.527 -0.001 0.000 0.298 184 F C 2.073 177.850 175.800 -0.038 0.000 1.146 184 F CA 0.770 58.767 58.000 -0.005 0.000 1.464 184 F CB -0.870 38.076 39.000 -0.091 0.000 1.101 184 F HN 0.395 nan 8.300 nan 0.000 0.585 185 S N -1.599 114.178 115.700 0.129 0.000 2.937 185 S HA 0.244 4.713 4.470 -0.001 0.000 0.252 185 S C 0.028 174.690 174.600 0.103 0.000 1.022 185 S CA -0.489 57.767 58.200 0.092 0.000 1.079 185 S CB -0.710 62.555 63.200 0.109 0.000 1.035 185 S HN 0.044 nan 8.310 nan 0.000 0.594 186 L N 3.387 124.705 121.223 0.159 0.000 2.640 186 L HA 0.114 4.453 4.340 -0.001 0.000 0.280 186 L C -1.076 175.839 176.870 0.075 0.000 1.229 186 L CA -0.554 54.319 54.840 0.055 0.000 0.919 186 L CB 0.589 42.661 42.059 0.022 0.000 1.168 186 L HN 0.236 nan 8.230 nan 0.000 0.496 187 P HA -0.043 nan 4.420 nan 0.000 0.245 187 P C -0.900 176.479 177.300 0.131 0.000 1.212 187 P CA 0.732 63.872 63.100 0.068 0.000 0.774 187 P CB 0.080 31.861 31.700 0.135 0.000 0.999 188 Y N -3.105 117.327 120.300 0.219 0.000 2.615 188 Y HA 0.505 5.054 4.550 -0.001 0.000 0.341 188 Y C -0.404 175.386 175.900 -0.183 0.000 1.089 188 Y CA -2.304 55.857 58.100 0.101 0.000 1.049 188 Y CB -0.045 38.434 38.460 0.032 0.000 1.296 188 Y HN -0.256 nan 8.280 nan 0.000 0.470 189 C N 4.953 124.189 119.300 -0.107 0.000 2.633 189 C HA 0.208 4.668 4.460 -0.001 0.000 0.415 189 C C -0.709 174.047 174.990 -0.389 0.000 1.393 189 C CA -1.020 57.663 59.018 -0.558 0.000 1.700 189 C CB -0.032 27.617 27.740 -0.151 0.000 2.541 189 C HN 0.772 nan 8.230 nan 0.000 0.603 190 P HA 0.128 nan 4.420 nan 0.000 0.223 190 P C 0.956 178.173 177.300 -0.139 0.000 1.151 190 P CA 1.876 64.792 63.100 -0.308 0.000 0.787 190 P CB -0.172 31.268 31.700 -0.433 0.000 0.788 191 G N 0.705 109.411 108.800 -0.157 0.000 2.601 191 G HA2 -0.312 3.648 3.960 -0.001 0.000 0.252 191 G HA3 -0.312 3.648 3.960 -0.001 0.000 0.252 191 G C -0.407 174.468 174.900 -0.042 0.000 1.294 191 G CA -0.115 44.944 45.100 -0.068 0.000 0.912 191 G HN 0.530 nan 8.290 nan 0.000 0.574 192 K N 0.692 121.093 120.400 0.002 0.000 2.491 192 K HA 0.344 4.664 4.320 -0.001 0.000 0.279 192 K C -0.183 176.471 176.600 0.090 0.000 1.026 192 K CA 1.266 57.586 56.287 0.056 0.000 1.070 192 K CB -0.272 32.269 32.500 0.069 0.000 0.887 192 K HN 0.610 nan 8.250 nan 0.000 0.481 193 T N 4.704 119.284 114.554 0.043 0.000 2.876 193 T HA 0.344 4.693 4.350 -0.001 0.000 0.289 193 T C -1.231 173.305 174.700 -0.273 0.000 1.014 193 T CA -0.817 61.231 62.100 -0.086 0.000 0.986 193 T CB 1.330 70.116 68.868 -0.136 0.000 1.021 193 T HN 0.448 nan 8.240 nan 0.000 0.458 194 L N 3.474 124.371 121.223 -0.544 0.000 2.296 194 L HA 0.784 5.123 4.340 -0.001 0.000 0.286 194 L C -1.131 175.510 176.870 -0.383 0.000 1.023 194 L CA -0.500 53.891 54.840 -0.749 0.000 0.812 194 L CB 1.260 42.539 42.059 -1.299 0.000 1.223 194 L HN 0.495 nan 8.230 nan 0.000 0.421 195 V N 5.757 125.495 119.914 -0.293 0.000 2.495 195 V HA 0.532 4.651 4.120 -0.001 0.000 0.298 195 V C -0.546 175.457 176.094 -0.151 0.000 1.031 195 V CA -0.670 61.511 62.300 -0.199 0.000 0.871 195 V CB 2.079 33.793 31.823 -0.182 0.000 0.988 195 V HN 0.530 nan 8.190 nan 0.000 0.432 196 V N 4.178 124.029 119.914 -0.104 0.000 2.417 196 V HA 0.975 5.095 4.120 -0.001 0.000 0.291 196 V C 0.455 176.541 176.094 -0.015 0.000 1.024 196 V CA 0.544 62.813 62.300 -0.053 0.000 0.861 196 V CB 1.024 32.819 31.823 -0.047 0.000 0.985 196 V HN 1.289 nan 8.190 nan 0.000 0.436 197 G N 3.935 112.749 108.800 0.024 0.000 2.428 197 G HA2 0.501 4.460 3.960 -0.001 0.000 0.681 197 G HA3 0.501 4.460 3.960 -0.001 0.000 0.681 197 G C -0.490 174.459 174.900 0.082 0.000 1.340 197 G CA -0.054 45.078 45.100 0.053 0.000 0.915 197 G HN 1.590 nan 8.290 nan 0.000 0.645 198 A N 0.027 122.912 122.820 0.107 0.000 2.897 198 A HA 0.845 5.164 4.320 -0.001 0.000 0.230 198 A C 0.360 178.025 177.584 0.134 0.000 0.896 198 A CA 1.309 53.426 52.037 0.135 0.000 1.114 198 A CB 0.277 19.365 19.000 0.146 0.000 1.230 198 A HN 1.958 nan 8.150 nan 0.000 0.481 199 S N -1.799 113.992 115.700 0.151 0.000 2.894 199 S HA 0.608 5.077 4.470 -0.001 0.000 0.298 199 S C 1.118 175.853 174.600 0.226 0.000 1.054 199 S CA -0.249 58.059 58.200 0.181 0.000 0.903 199 S CB 0.176 63.509 63.200 0.223 0.000 1.356 199 S HN 0.329 nan 8.310 nan 0.000 0.626 200 Y N 1.091 121.511 120.300 0.200 0.000 1.938 200 Y HA -0.270 4.280 4.550 -0.001 0.000 0.253 200 Y C 2.567 178.560 175.900 0.155 0.000 1.163 200 Y CA 2.465 60.669 58.100 0.174 0.000 1.086 200 Y CB -1.336 37.249 38.460 0.208 0.000 0.928 200 Y HN 0.306 nan 8.280 nan 0.000 0.493 201 V N -0.158 119.966 119.914 0.350 0.000 2.282 201 V HA -0.397 3.723 4.120 -0.001 0.000 0.249 201 V C 2.481 178.670 176.094 0.159 0.000 1.057 201 V CA 1.970 64.412 62.300 0.237 0.000 1.032 201 V CB -1.685 30.248 31.823 0.182 0.000 0.645 201 V HN 0.569 nan 8.190 nan 0.000 0.447 202 A N -0.070 122.827 122.820 0.128 0.000 1.883 202 A HA -0.182 4.137 4.320 -0.001 0.000 0.217 202 A C 2.223 179.838 177.584 0.052 0.000 1.186 202 A CA 2.167 54.240 52.037 0.060 0.000 0.624 202 A CB -0.590 18.449 19.000 0.064 0.000 0.822 202 A HN 0.531 nan 8.150 nan 0.000 0.444 203 L N -1.026 120.264 121.223 0.113 0.000 2.109 203 L HA -0.144 4.195 4.340 -0.001 0.000 0.207 203 L C 2.543 179.479 176.870 0.110 0.000 1.086 203 L CA 1.410 56.318 54.840 0.113 0.000 0.760 203 L CB -0.671 41.473 42.059 0.140 0.000 0.910 203 L HN 0.466 nan 8.230 nan 0.000 0.437 204 E N -0.388 119.914 120.200 0.169 0.000 2.072 204 E HA -0.177 4.172 4.350 -0.001 0.000 0.191 204 E C 2.344 179.040 176.600 0.160 0.000 0.985 204 E CA 1.419 57.958 56.400 0.232 0.000 0.801 204 E CB -0.160 29.740 29.700 0.334 0.000 0.750 204 E HN 0.505 nan 8.360 nan 0.000 0.452 205 C N 0.927 120.226 119.300 -0.002 0.000 2.462 205 C HA -0.032 4.427 4.460 -0.001 0.000 0.278 205 C C 2.965 177.513 174.990 -0.736 0.000 1.253 205 C CA 0.813 59.487 59.018 -0.573 0.000 1.713 205 C CB -0.932 26.638 27.740 -0.282 0.000 2.049 205 C HN 0.522 nan 8.230 nan 0.000 0.477 206 A N 0.736 123.359 122.820 -0.330 0.000 2.024 206 A HA 0.011 4.330 4.320 -0.001 0.000 0.220 206 A C 2.308 179.776 177.584 -0.194 0.000 1.164 206 A CA 2.125 54.003 52.037 -0.264 0.000 0.643 206 A CB -1.085 17.797 19.000 -0.197 0.000 0.806 206 A HN 0.601 nan 8.150 nan 0.000 0.451 207 G N -0.210 108.527 108.800 -0.105 0.000 2.394 207 G HA2 -0.092 3.867 3.960 -0.001 0.000 0.214 207 G HA3 -0.092 3.867 3.960 -0.001 0.000 0.214 207 G C 1.347 176.314 174.900 0.112 0.000 1.176 207 G CA 1.153 46.283 45.100 0.051 0.000 0.786 207 G HN 0.784 nan 8.290 nan 0.000 0.533 208 F N 0.430 120.477 119.950 0.161 0.000 2.416 208 F HA 0.339 4.865 4.527 -0.001 0.000 0.296 208 F C 2.134 178.008 175.800 0.123 0.000 1.099 208 F CA 0.040 58.136 58.000 0.161 0.000 1.427 208 F CB -0.525 38.594 39.000 0.198 0.000 1.079 208 F HN 0.002 nan 8.300 nan 0.000 0.536 209 L N 1.050 122.179 121.223 -0.156 0.000 2.012 209 L HA -0.170 4.169 4.340 -0.001 0.000 0.210 209 L C 2.973 179.869 176.870 0.042 0.000 1.073 209 L CA 1.423 56.266 54.840 0.004 0.000 0.748 209 L CB -1.207 40.748 42.059 -0.174 0.000 0.891 209 L HN 0.371 nan 8.230 nan 0.000 0.431 210 A N 0.379 123.196 122.820 -0.005 0.000 1.933 210 A HA -0.124 4.195 4.320 -0.001 0.000 0.218 210 A C 2.373 179.992 177.584 0.057 0.000 1.175 210 A CA 1.625 53.674 52.037 0.020 0.000 0.628 210 A CB -1.201 17.803 19.000 0.008 0.000 0.814 210 A HN 0.459 nan 8.150 nan 0.000 0.444 211 G N 0.469 109.325 108.800 0.092 0.000 2.479 211 G HA2 -0.108 3.851 3.960 -0.001 0.000 0.220 211 G HA3 -0.108 3.851 3.960 -0.001 0.000 0.220 211 G C 1.205 176.126 174.900 0.035 0.000 1.115 211 G CA 1.082 46.231 45.100 0.083 0.000 0.757 211 G HN 0.902 nan 8.290 nan 0.000 0.560 212 I N -3.349 117.246 120.570 0.041 0.000 3.889 212 I HA 0.525 4.694 4.170 -0.001 0.000 0.332 212 I C 1.150 177.308 176.117 0.068 0.000 1.493 212 I CA 0.262 61.534 61.300 -0.048 0.000 1.158 212 I CB -0.046 37.821 38.000 -0.222 0.000 1.117 212 I HN 0.156 nan 8.210 nan 0.000 0.411 213 G N 1.784 110.623 108.800 0.065 0.000 2.157 213 G HA2 -0.198 3.761 3.960 -0.001 0.000 0.239 213 G HA3 -0.198 3.761 3.960 -0.001 0.000 0.239 213 G C -0.109 174.824 174.900 0.055 0.000 0.982 213 G CA -0.106 45.035 45.100 0.068 0.000 0.650 213 G HN 0.397 nan 8.290 nan 0.000 0.527 214 L N 0.962 122.212 121.223 0.045 0.000 2.379 214 L HA 0.486 4.825 4.340 -0.001 0.000 0.269 214 L C 0.382 177.250 176.870 -0.003 0.000 1.084 214 L CA -0.916 53.932 54.840 0.014 0.000 0.802 214 L CB 0.991 43.043 42.059 -0.011 0.000 1.175 214 L HN 0.142 nan 8.230 nan 0.000 0.448 215 D N 2.212 122.609 120.400 -0.006 0.000 2.338 215 D HA 0.244 4.884 4.640 -0.001 0.000 0.255 215 D C -1.018 175.273 176.300 -0.016 0.000 1.237 215 D CA -0.035 53.962 54.000 -0.005 0.000 0.883 215 D CB 1.015 41.818 40.800 0.006 0.000 1.087 215 D HN 0.077 nan 8.370 nan 0.000 0.485 216 V N 3.554 123.440 119.914 -0.047 0.000 2.680 216 V HA 0.514 4.633 4.120 -0.001 0.000 0.309 216 V C 0.340 176.353 176.094 -0.134 0.000 1.052 216 V CA -0.687 61.552 62.300 -0.101 0.000 0.908 216 V CB 2.201 33.938 31.823 -0.144 0.000 1.001 216 V HN 0.579 nan 8.190 nan 0.000 0.431 217 T N 2.788 117.240 114.554 -0.171 0.000 2.900 217 T HA 0.700 5.049 4.350 -0.001 0.000 0.295 217 T C -0.939 173.578 174.700 -0.304 0.000 1.044 217 T CA -0.540 61.439 62.100 -0.202 0.000 0.995 217 T CB 2.122 70.962 68.868 -0.046 0.000 1.072 217 T HN 0.371 nan 8.240 nan 0.000 0.473 218 V N 2.894 122.579 119.914 -0.382 0.000 2.531 218 V HA 0.490 4.609 4.120 -0.001 0.000 0.301 218 V C -0.464 175.572 176.094 -0.098 0.000 1.034 218 V CA -0.780 61.334 62.300 -0.310 0.000 0.865 218 V CB 1.844 33.352 31.823 -0.525 0.000 0.995 218 V HN 0.891 nan 8.190 nan 0.000 0.424 219 M N 5.548 125.123 119.600 -0.041 0.000 2.157 219 M HA 0.573 5.052 4.480 -0.001 0.000 0.354 219 M C -1.284 175.079 176.300 0.104 0.000 1.170 219 M CA -0.369 54.960 55.300 0.049 0.000 1.060 219 M CB 1.265 33.876 32.600 0.018 0.000 1.615 219 M HN 0.455 nan 8.290 nan 0.000 0.460 220 V N 6.397 126.409 119.914 0.163 0.000 2.347 220 V HA 0.311 4.430 4.120 -0.001 0.000 0.280 220 V C 0.851 177.021 176.094 0.126 0.000 1.021 220 V CA -0.511 61.882 62.300 0.155 0.000 0.847 220 V CB 1.280 33.214 31.823 0.185 0.000 0.990 220 V HN 0.982 nan 8.190 nan 0.000 0.444 221 R N 3.148 123.706 120.500 0.097 0.000 2.075 221 R HA -0.125 4.215 4.340 -0.001 0.000 0.230 221 R C 1.883 178.216 176.300 0.055 0.000 1.140 221 R CA 2.389 58.534 56.100 0.076 0.000 0.928 221 R CB 0.084 30.420 30.300 0.060 0.000 0.834 221 R HN 0.873 nan 8.270 nan 0.000 0.429 222 S N -0.452 115.277 115.700 0.048 0.000 3.248 222 S HA 0.244 4.713 4.470 -0.001 0.000 0.173 222 S C 0.794 175.410 174.600 0.027 0.000 0.749 222 S CA -0.276 57.941 58.200 0.029 0.000 0.898 222 S CB -0.357 62.855 63.200 0.021 0.000 1.027 222 S HN 0.355 nan 8.310 nan 0.000 0.781 223 I N 0.548 121.133 120.570 0.025 0.000 2.707 223 I HA 0.602 4.771 4.170 -0.001 0.000 0.309 223 I C -0.824 175.310 176.117 0.030 0.000 1.001 223 I CA -1.411 59.897 61.300 0.014 0.000 1.129 223 I CB 1.236 39.241 38.000 0.008 0.000 1.308 223 I HN 0.357 nan 8.210 nan 0.000 0.466 224 L N 4.300 125.527 121.223 0.008 0.000 2.417 224 L HA 0.289 4.628 4.340 -0.001 0.000 0.268 224 L C 0.191 177.094 176.870 0.056 0.000 1.158 224 L CA -0.841 54.016 54.840 0.029 0.000 0.819 224 L CB 0.522 42.569 42.059 -0.020 0.000 1.112 224 L HN 0.641 nan 8.230 nan 0.000 0.458 225 L N 1.589 122.871 121.223 0.099 0.000 3.965 225 L HA -0.239 4.101 4.340 -0.001 0.000 0.499 225 L C 0.770 177.771 176.870 0.218 0.000 1.194 225 L CA 0.302 55.260 54.840 0.197 0.000 0.707 225 L CB -1.380 40.777 42.059 0.165 0.000 1.414 225 L HN 0.681 nan 8.230 nan 0.000 0.802 226 R N 1.305 121.885 120.500 0.134 0.000 2.522 226 R HA 0.323 4.662 4.340 -0.001 0.000 0.284 226 R C 1.407 177.733 176.300 0.045 0.000 1.032 226 R CA 1.125 57.272 56.100 0.079 0.000 1.049 226 R CB 0.454 30.788 30.300 0.056 0.000 0.956 226 R HN 0.572 nan 8.270 nan 0.000 0.422 227 G N 3.329 112.132 108.800 0.005 0.000 2.313 227 G HA2 -0.252 3.707 3.960 -0.001 0.000 0.215 227 G HA3 -0.252 3.707 3.960 -0.001 0.000 0.215 227 G C -0.251 174.571 174.900 -0.130 0.000 1.023 227 G CA -0.207 44.828 45.100 -0.108 0.000 0.626 227 G HN 0.497 nan 8.290 nan 0.000 0.503 228 F N 2.215 122.194 119.950 0.049 0.000 2.403 228 F HA 0.519 5.045 4.527 -0.001 0.000 0.326 228 F C 0.750 176.585 175.800 0.058 0.000 1.081 228 F CA -0.753 57.305 58.000 0.098 0.000 1.041 228 F CB 0.797 39.872 39.000 0.126 0.000 1.234 228 F HN 0.031 nan 8.300 nan 0.000 0.503 229 D N 2.161 122.748 120.400 0.312 0.000 2.570 229 D HA -0.116 4.524 4.640 -0.001 0.000 0.243 229 D C 0.773 177.073 176.300 -0.001 0.000 1.171 229 D CA 0.263 54.312 54.000 0.082 0.000 0.879 229 D CB 0.906 41.662 40.800 -0.073 0.000 1.143 229 D HN 0.471 nan 8.370 nan 0.000 0.511 230 Q N 2.967 122.756 119.800 -0.020 0.000 2.297 230 Q HA -0.125 4.214 4.340 -0.001 0.000 0.204 230 Q C 1.197 177.133 176.000 -0.106 0.000 0.962 230 Q CA 0.783 56.557 55.803 -0.050 0.000 0.879 230 Q CB -0.028 28.692 28.738 -0.031 0.000 0.947 230 Q HN 0.643 nan 8.270 nan 0.000 0.462 231 D N -0.041 120.286 120.400 -0.122 0.000 2.084 231 D HA -0.127 4.512 4.640 -0.001 0.000 0.196 231 D C 1.738 177.904 176.300 -0.224 0.000 0.985 231 D CA 1.048 54.954 54.000 -0.157 0.000 0.826 231 D CB 0.185 40.905 40.800 -0.134 0.000 0.978 231 D HN 0.002 nan 8.370 nan 0.000 0.456 232 M N 0.744 120.183 119.600 -0.269 0.000 2.080 232 M HA -0.072 4.407 4.480 -0.001 0.000 0.260 232 M C 2.469 178.510 176.300 -0.432 0.000 1.068 232 M CA 1.475 56.515 55.300 -0.434 0.000 1.109 232 M CB -1.606 30.514 32.600 -0.800 0.000 1.342 232 M HN 0.137 nan 8.290 nan 0.000 0.405 233 A N 0.682 123.294 122.820 -0.347 0.000 1.892 233 A HA -0.253 4.066 4.320 -0.001 0.000 0.218 233 A C 2.076 179.549 177.584 -0.185 0.000 1.188 233 A CA 2.449 54.342 52.037 -0.240 0.000 0.631 233 A CB -1.232 17.695 19.000 -0.121 0.000 0.822 233 A HN 0.594 nan 8.150 nan 0.000 0.447 234 N N -0.466 118.132 118.700 -0.170 0.000 2.223 234 N HA -0.130 4.610 4.740 -0.001 0.000 0.185 234 N C 1.511 176.933 175.510 -0.147 0.000 1.016 234 N CA 1.831 54.789 53.050 -0.153 0.000 0.863 234 N CB -0.242 38.164 38.487 -0.134 0.000 0.983 234 N HN 0.563 nan 8.380 nan 0.000 0.429 235 K N -0.390 119.912 120.400 -0.163 0.000 2.228 235 K HA 0.113 4.432 4.320 -0.001 0.000 0.202 235 K C 1.813 178.385 176.600 -0.048 0.000 1.051 235 K CA 0.620 56.838 56.287 -0.115 0.000 0.960 235 K CB 0.111 32.516 32.500 -0.158 0.000 0.743 235 K HN 0.239 nan 8.250 nan 0.000 0.458 236 I N 0.604 121.120 120.570 -0.090 0.000 2.252 236 I HA -0.193 3.976 4.170 -0.001 0.000 0.245 236 I C 2.447 178.596 176.117 0.053 0.000 1.102 236 I CA 1.328 62.622 61.300 -0.010 0.000 1.385 236 I CB -0.626 37.330 38.000 -0.075 0.000 1.064 236 I HN 0.272 nan 8.210 nan 0.000 0.414 237 G N 0.820 109.587 108.800 -0.055 0.000 2.476 237 G HA2 -0.250 3.709 3.960 -0.001 0.000 0.218 237 G HA3 -0.250 3.709 3.960 -0.001 0.000 0.218 237 G C 1.473 176.326 174.900 -0.079 0.000 1.164 237 G CA 0.817 45.828 45.100 -0.149 0.000 0.768 237 G HN 0.467 nan 8.290 nan 0.000 0.560 238 E N -0.330 119.839 120.200 -0.051 0.000 2.106 238 E HA -0.163 4.186 4.350 -0.001 0.000 0.192 238 E C 2.166 178.803 176.600 0.062 0.000 0.984 238 E CA 0.804 57.192 56.400 -0.020 0.000 0.806 238 E CB -0.433 29.248 29.700 -0.033 0.000 0.750 238 E HN 0.585 nan 8.360 nan 0.000 0.458 239 H N 0.986 120.093 119.070 0.063 0.000 2.352 239 H HA -0.071 4.484 4.556 -0.001 0.000 0.299 239 H C 2.041 177.530 175.328 0.268 0.000 1.097 239 H CA 1.428 57.580 56.048 0.173 0.000 1.311 239 H CB 0.043 29.905 29.762 0.167 0.000 1.377 239 H HN 0.153 nan 8.280 nan 0.000 0.504 240 M N 0.303 120.046 119.600 0.238 0.000 2.099 240 M HA -0.131 4.348 4.480 -0.001 0.000 0.262 240 M C 2.359 178.794 176.300 0.226 0.000 1.067 240 M CA 1.549 57.009 55.300 0.265 0.000 1.124 240 M CB -0.062 32.781 32.600 0.404 0.000 1.353 240 M HN 0.303 nan 8.290 nan 0.000 0.410 241 E N 0.357 120.704 120.200 0.245 0.000 2.017 241 E HA -0.220 4.129 4.350 -0.001 0.000 0.193 241 E C 1.718 178.325 176.600 0.012 0.000 0.997 241 E CA 1.462 57.967 56.400 0.174 0.000 0.804 241 E CB -0.217 29.553 29.700 0.117 0.000 0.757 241 E HN 0.556 nan 8.360 nan 0.000 0.448 242 E N -0.189 119.960 120.200 -0.085 0.000 2.393 242 E HA -0.182 4.167 4.350 -0.001 0.000 0.201 242 E C 0.549 176.885 176.600 -0.440 0.000 1.025 242 E CA 0.834 57.075 56.400 -0.265 0.000 0.856 242 E CB -0.161 29.325 29.700 -0.355 0.000 0.771 242 E HN 0.398 nan 8.360 nan 0.000 0.526 243 H N -1.534 117.454 119.070 -0.136 0.000 2.481 243 H HA 0.275 4.830 4.556 -0.001 0.000 0.273 243 H C 0.811 176.106 175.328 -0.055 0.000 1.145 243 H CA 0.112 56.083 56.048 -0.129 0.000 0.964 243 H CB 0.960 30.593 29.762 -0.216 0.000 1.722 243 H HN 0.255 nan 8.280 nan 0.000 0.573 244 G N 0.561 109.373 108.800 0.019 0.000 2.850 244 G HA2 -0.280 3.679 3.960 -0.001 0.000 0.207 244 G HA3 -0.280 3.679 3.960 -0.001 0.000 0.207 244 G C 0.359 175.261 174.900 0.002 0.000 1.302 244 G CA -0.205 44.904 45.100 0.015 0.000 0.832 244 G HN 0.287 nan 8.290 nan 0.000 0.543 245 I N 2.572 123.142 120.570 -0.000 0.000 2.906 245 I HA 0.152 4.322 4.170 -0.001 0.000 0.301 245 I C 0.517 176.575 176.117 -0.098 0.000 1.221 245 I CA 0.487 61.731 61.300 -0.093 0.000 1.435 245 I CB 0.411 38.333 38.000 -0.130 0.000 1.345 245 I HN 0.159 nan 8.210 nan 0.000 0.558 246 K N 6.449 126.755 120.400 -0.156 0.000 2.118 246 K HA 0.636 4.955 4.320 -0.001 0.000 0.267 246 K C -0.972 175.498 176.600 -0.217 0.000 0.991 246 K CA -0.157 56.090 56.287 -0.066 0.000 0.916 246 K CB 0.951 33.435 32.500 -0.026 0.000 1.041 246 K HN 0.236 nan 8.250 nan 0.000 0.455 247 F N 1.337 121.290 119.950 0.006 0.000 2.540 247 F HA 0.502 5.028 4.527 -0.001 0.000 0.317 247 F C -0.175 175.635 175.800 0.017 0.000 1.104 247 F CA -0.833 57.173 58.000 0.010 0.000 0.913 247 F CB 1.302 40.311 39.000 0.014 0.000 1.170 247 F HN 0.160 nan 8.300 nan 0.000 0.450 248 I N 3.956 124.641 120.570 0.191 0.000 2.355 248 I HA 0.408 4.577 4.170 -0.001 0.000 0.288 248 I C -0.665 175.581 176.117 0.215 0.000 0.999 248 I CA -0.726 60.651 61.300 0.129 0.000 1.163 248 I CB 1.329 39.339 38.000 0.018 0.000 1.316 248 I HN 0.523 nan 8.210 nan 0.000 0.454 249 R N 6.308 126.953 120.500 0.240 0.000 2.265 249 R HA 0.439 4.778 4.340 -0.001 0.000 0.319 249 R C -0.378 176.084 176.300 0.270 0.000 1.006 249 R CA -0.609 55.624 56.100 0.222 0.000 0.880 249 R CB 1.005 31.387 30.300 0.136 0.000 1.077 249 R HN 0.579 nan 8.270 nan 0.000 0.454 250 Q N 0.566 120.474 119.800 0.180 0.000 2.493 250 Q HA -0.198 4.141 4.340 -0.001 0.000 0.278 250 Q C -1.221 174.780 176.000 0.002 0.000 1.198 250 Q CA 0.786 56.628 55.803 0.064 0.000 0.880 250 Q CB -1.353 27.365 28.738 -0.033 0.000 1.260 250 Q HN 0.495 nan 8.270 nan 0.000 0.470 251 F N -0.936 119.037 119.950 0.038 0.000 2.603 251 F HA 0.755 5.281 4.527 -0.001 0.000 0.317 251 F C 0.238 176.058 175.800 0.034 0.000 1.066 251 F CA -0.938 57.084 58.000 0.035 0.000 0.941 251 F CB 1.923 40.946 39.000 0.039 0.000 1.291 251 F HN -0.197 nan 8.300 nan 0.000 0.472 252 V N 1.847 121.921 119.914 0.267 0.000 2.888 252 V HA 0.443 4.562 4.120 -0.001 0.000 0.309 252 V C -2.561 173.621 176.094 0.147 0.000 1.114 252 V CA -2.198 60.195 62.300 0.155 0.000 0.940 252 V CB 2.349 34.231 31.823 0.099 0.000 1.021 252 V HN 0.455 nan 8.190 nan 0.000 0.426 253 P HA 0.362 nan 4.420 nan 0.000 0.271 253 P C 0.509 177.863 177.300 0.089 0.000 1.216 253 P CA -0.014 63.139 63.100 0.088 0.000 0.776 253 P CB 0.531 32.268 31.700 0.062 0.000 0.881 254 I N -1.168 119.454 120.570 0.087 0.000 4.403 254 I HA 0.441 4.610 4.170 -0.001 0.000 0.331 254 I C 0.205 176.367 176.117 0.076 0.000 1.327 254 I CA 0.102 61.450 61.300 0.079 0.000 1.175 254 I CB 0.478 38.524 38.000 0.077 0.000 1.165 254 I HN 0.122 nan 8.210 nan 0.000 0.413 255 K N 1.723 122.169 120.400 0.076 0.000 2.580 255 K HA 0.510 4.829 4.320 -0.001 0.000 0.258 255 K C -2.039 174.605 176.600 0.074 0.000 0.936 255 K CA -0.446 55.886 56.287 0.076 0.000 0.852 255 K CB 3.125 35.662 32.500 0.061 0.000 1.329 255 K HN -0.039 nan 8.250 nan 0.000 0.430 256 V N 3.913 123.885 119.914 0.096 0.000 2.487 256 V HA 0.448 4.567 4.120 -0.001 0.000 0.298 256 V C -0.619 175.501 176.094 0.043 0.000 1.028 256 V CA -0.663 61.687 62.300 0.084 0.000 0.860 256 V CB 1.421 33.335 31.823 0.151 0.000 0.991 256 V HN 0.845 nan 8.190 nan 0.000 0.427 257 E N 3.300 123.437 120.200 -0.105 0.000 2.343 257 E HA 0.549 4.899 4.350 -0.001 0.000 0.270 257 E C -1.039 175.247 176.600 -0.524 0.000 0.895 257 E CA -1.062 55.177 56.400 -0.270 0.000 0.767 257 E CB 2.523 32.157 29.700 -0.110 0.000 1.248 257 E HN 0.588 nan 8.360 nan 0.000 0.440 258 Q N 2.444 121.745 119.800 -0.833 0.000 2.349 258 Q HA 0.225 4.564 4.340 -0.001 0.000 0.254 258 Q C 0.015 175.854 176.000 -0.268 0.000 0.980 258 Q CA -0.200 55.211 55.803 -0.654 0.000 0.924 258 Q CB 0.738 29.022 28.738 -0.757 0.000 1.209 258 Q HN 0.777 nan 8.270 nan 0.000 0.445 259 I N 2.965 123.424 120.570 -0.185 0.000 2.928 259 I HA 0.002 4.171 4.170 -0.001 0.000 0.266 259 I C 0.355 176.421 176.117 -0.084 0.000 1.234 259 I CA 0.749 61.983 61.300 -0.110 0.000 1.483 259 I CB 0.235 38.180 38.000 -0.092 0.000 1.097 259 I HN 0.718 nan 8.210 nan 0.000 0.455 260 E N 0.348 120.495 120.200 -0.087 0.000 3.097 260 E HA 0.349 4.698 4.350 -0.001 0.000 0.325 260 E C -1.368 175.205 176.600 -0.044 0.000 1.093 260 E CA -0.485 55.883 56.400 -0.053 0.000 0.893 260 E CB 0.649 30.319 29.700 -0.050 0.000 1.209 260 E HN 0.038 nan 8.360 nan 0.000 0.462 261 A N 2.476 125.287 122.820 -0.015 0.000 2.371 261 A HA 0.856 5.175 4.320 -0.001 0.000 0.257 261 A C 0.563 178.116 177.584 -0.052 0.000 1.089 261 A CA 0.777 52.810 52.037 -0.006 0.000 0.794 261 A CB 0.867 19.884 19.000 0.028 0.000 1.029 261 A HN 0.900 nan 8.150 nan 0.000 0.488 262 G N -0.876 107.863 108.800 -0.102 0.000 2.340 262 G HA2 0.538 4.497 3.960 -0.001 0.000 0.299 262 G HA3 0.538 4.497 3.960 -0.001 0.000 0.299 262 G C -0.654 174.038 174.900 -0.347 0.000 1.291 262 G CA 0.255 45.257 45.100 -0.163 0.000 0.841 262 G HN 1.491 nan 8.290 nan 0.000 0.500 263 T N -0.091 114.232 114.554 -0.385 0.000 3.410 263 T HA 0.651 5.000 4.350 -0.001 0.000 0.328 263 T C -2.523 171.915 174.700 -0.438 0.000 1.567 263 T CA -1.065 60.603 62.100 -0.721 0.000 1.626 263 T CB 1.456 70.149 68.868 -0.292 0.000 0.939 263 T HN 0.548 nan 8.240 nan 0.000 0.656 264 P HA 0.563 nan 4.420 nan 0.000 0.281 264 P C 0.580 177.719 177.300 -0.269 0.000 1.264 264 P CA -0.222 62.562 63.100 -0.528 0.000 0.824 264 P CB 1.430 33.043 31.700 -0.145 0.000 1.092 265 G N 0.881 109.558 108.800 -0.205 0.000 2.582 265 G HA2 0.440 4.400 3.960 -0.001 0.000 0.232 265 G HA3 0.440 4.400 3.960 -0.001 0.000 0.232 265 G C -0.740 174.118 174.900 -0.069 0.000 1.458 265 G CA -0.459 44.575 45.100 -0.110 0.000 1.062 265 G HN 0.523 nan 8.290 nan 0.000 0.566 266 R N -1.154 119.310 120.500 -0.061 0.000 2.502 266 R HA 0.579 4.918 4.340 -0.001 0.000 0.300 266 R C -1.006 175.252 176.300 -0.071 0.000 0.984 266 R CA -0.342 55.724 56.100 -0.057 0.000 0.882 266 R CB 1.223 31.484 30.300 -0.064 0.000 1.180 266 R HN 0.347 nan 8.270 nan 0.000 0.444 267 L N 2.908 124.105 121.223 -0.043 0.000 2.341 267 L HA 0.654 4.993 4.340 -0.001 0.000 0.267 267 L C -0.337 176.517 176.870 -0.027 0.000 1.009 267 L CA -1.103 53.698 54.840 -0.066 0.000 0.819 267 L CB 2.234 44.284 42.059 -0.016 0.000 1.323 267 L HN 0.476 nan 8.230 nan 0.000 0.425 268 R N 1.699 122.165 120.500 -0.057 0.000 2.393 268 R HA 0.668 5.007 4.340 -0.001 0.000 0.315 268 R C -1.798 174.514 176.300 0.019 0.000 0.952 268 R CA -0.434 55.653 56.100 -0.023 0.000 0.842 268 R CB 1.792 32.060 30.300 -0.053 0.000 1.163 268 R HN 0.453 nan 8.270 nan 0.000 0.450 269 V N 4.959 124.922 119.914 0.081 0.000 2.513 269 V HA 0.427 4.546 4.120 -0.001 0.000 0.299 269 V C -0.337 175.793 176.094 0.061 0.000 1.035 269 V CA -0.768 61.584 62.300 0.087 0.000 0.889 269 V CB 1.859 33.759 31.823 0.128 0.000 0.988 269 V HN 0.509 nan 8.190 nan 0.000 0.440 270 V N 3.733 123.679 119.914 0.052 0.000 2.448 270 V HA 0.899 5.018 4.120 -0.001 0.000 0.295 270 V C 0.207 176.343 176.094 0.071 0.000 1.025 270 V CA -0.239 62.089 62.300 0.048 0.000 0.859 270 V CB 1.582 33.431 31.823 0.044 0.000 0.988 270 V HN 1.071 nan 8.190 nan 0.000 0.431 271 A N 4.273 127.143 122.820 0.084 0.000 2.479 271 A HA 0.929 5.248 4.320 -0.001 0.000 0.296 271 A C -0.981 176.780 177.584 0.294 0.000 1.121 271 A CA -0.702 51.433 52.037 0.164 0.000 0.743 271 A CB 2.163 21.244 19.000 0.134 0.000 1.323 271 A HN 0.763 nan 8.150 nan 0.000 0.415 272 Q N 0.554 120.573 119.800 0.366 0.000 2.331 272 Q HA 0.559 4.898 4.340 -0.001 0.000 0.272 272 Q C -0.366 175.670 176.000 0.060 0.000 1.062 272 Q CA -0.448 55.525 55.803 0.283 0.000 0.806 272 Q CB 1.936 30.747 28.738 0.121 0.000 1.312 272 Q HN 0.979 nan 8.270 nan 0.000 0.431 273 S N 1.121 116.584 115.700 -0.395 0.000 2.560 273 S HA -0.003 4.466 4.470 -0.001 0.000 0.276 273 S C 0.704 175.076 174.600 -0.381 0.000 1.350 273 S CA 0.770 58.416 58.200 -0.924 0.000 1.024 273 S CB 0.468 63.234 63.200 -0.723 0.000 0.864 273 S HN 0.749 nan 8.310 nan 0.000 0.536 274 T N 1.076 115.434 114.554 -0.327 0.000 3.060 274 T HA 0.135 4.484 4.350 -0.001 0.000 0.249 274 T C 0.532 175.159 174.700 -0.121 0.000 1.079 274 T CA 0.334 62.343 62.100 -0.152 0.000 1.013 274 T CB -0.456 68.350 68.868 -0.102 0.000 0.975 274 T HN 0.771 nan 8.240 nan 0.000 0.518 275 N N 0.671 119.280 118.700 -0.153 0.000 2.240 275 N HA 0.285 5.024 4.740 -0.001 0.000 0.240 275 N C -0.122 175.329 175.510 -0.099 0.000 1.277 275 N CA -0.400 52.589 53.050 -0.102 0.000 0.873 275 N CB 0.773 39.211 38.487 -0.082 0.000 1.222 275 N HN 0.322 nan 8.380 nan 0.000 0.507 276 S N -0.691 114.934 115.700 -0.124 0.000 2.790 276 S HA 0.411 4.880 4.470 -0.001 0.000 0.292 276 S C -0.914 173.640 174.600 -0.076 0.000 1.197 276 S CA -0.609 57.536 58.200 -0.091 0.000 0.851 276 S CB 1.217 64.358 63.200 -0.099 0.000 1.217 276 S HN 0.014 nan 8.310 nan 0.000 0.526 277 E N 0.269 120.446 120.200 -0.038 0.000 2.538 277 E HA 0.236 4.585 4.350 -0.001 0.000 0.207 277 E C -0.136 176.476 176.600 0.020 0.000 1.002 277 E CA -0.157 56.237 56.400 -0.011 0.000 0.952 277 E CB 0.383 30.084 29.700 0.002 0.000 1.031 277 E HN 0.627 nan 8.360 nan 0.000 0.476 278 E N 1.081 121.292 120.200 0.018 0.000 2.481 278 E HA -0.031 4.318 4.350 -0.001 0.000 0.263 278 E C -0.528 176.193 176.600 0.202 0.000 0.992 278 E CA 0.385 56.847 56.400 0.103 0.000 0.938 278 E CB 0.507 30.281 29.700 0.124 0.000 0.933 278 E HN 0.044 nan 8.360 nan 0.000 0.453 279 I N 5.877 126.571 120.570 0.208 0.000 2.582 279 I HA 0.353 4.522 4.170 -0.001 0.000 0.292 279 I C 0.030 176.237 176.117 0.149 0.000 1.066 279 I CA -0.655 60.768 61.300 0.204 0.000 1.053 279 I CB 1.372 39.437 38.000 0.109 0.000 1.241 279 I HN 0.511 nan 8.210 nan 0.000 0.421 280 I N 2.044 122.665 120.570 0.086 0.000 3.002 280 I HA 0.694 4.863 4.170 -0.001 0.000 0.310 280 I C -0.796 175.293 176.117 -0.046 0.000 1.087 280 I CA -0.747 60.521 61.300 -0.054 0.000 1.017 280 I CB 2.780 40.615 38.000 -0.274 0.000 1.226 280 I HN 0.445 nan 8.210 nan 0.000 0.443 281 E N 1.414 121.580 120.200 -0.057 0.000 2.314 281 E HA 0.710 5.059 4.350 -0.001 0.000 0.272 281 E C -0.886 175.673 176.600 -0.069 0.000 0.884 281 E CA -0.957 55.419 56.400 -0.040 0.000 0.753 281 E CB 2.780 32.460 29.700 -0.033 0.000 1.213 281 E HN 0.977 nan 8.360 nan 0.000 0.432 282 G N 1.136 109.903 108.800 -0.055 0.000 2.690 282 G HA2 0.424 4.383 3.960 -0.001 0.000 0.293 282 G HA3 0.424 4.383 3.960 -0.001 0.000 0.293 282 G C -1.554 173.196 174.900 -0.250 0.000 1.399 282 G CA -0.545 44.447 45.100 -0.180 0.000 0.890 282 G HN 0.451 nan 8.290 nan 0.000 0.485 283 E N -0.253 119.656 120.200 -0.485 0.000 2.183 283 E HA 0.682 5.032 4.350 -0.001 0.000 0.271 283 E C -1.406 174.790 176.600 -0.673 0.000 0.919 283 E CA -0.665 55.505 56.400 -0.383 0.000 0.781 283 E CB 1.385 30.940 29.700 -0.241 0.000 1.140 283 E HN 0.459 nan 8.360 nan 0.000 0.402 284 Y N 1.796 122.058 120.300 -0.062 0.000 2.677 284 Y HA 0.285 4.834 4.550 -0.001 0.000 0.334 284 Y C 0.515 176.381 175.900 -0.057 0.000 1.154 284 Y CA -0.856 57.208 58.100 -0.060 0.000 1.070 284 Y CB 1.648 40.073 38.460 -0.058 0.000 1.294 284 Y HN 0.537 nan 8.280 nan 0.000 0.475 285 N N -1.043 117.737 118.700 0.132 0.000 2.387 285 N HA 0.113 4.853 4.740 -0.001 0.000 0.176 285 N C -0.702 174.844 175.510 0.059 0.000 1.022 285 N CA 0.758 53.837 53.050 0.049 0.000 0.883 285 N CB 0.530 39.025 38.487 0.013 0.000 1.019 285 N HN 0.445 nan 8.380 nan 0.000 0.435 286 T N 0.406 114.995 114.554 0.058 0.000 2.916 286 T HA 0.452 4.801 4.350 -0.001 0.000 0.298 286 T C -1.130 173.547 174.700 -0.037 0.000 1.031 286 T CA -0.522 61.596 62.100 0.030 0.000 0.993 286 T CB 2.823 71.688 68.868 -0.006 0.000 1.045 286 T HN -0.346 nan 8.240 nan 0.000 0.454 287 V N 3.993 123.889 119.914 -0.029 0.000 2.376 287 V HA 0.491 4.611 4.120 -0.001 0.000 0.287 287 V C -0.289 175.762 176.094 -0.072 0.000 1.015 287 V CA -0.698 61.546 62.300 -0.093 0.000 0.834 287 V CB 1.504 33.301 31.823 -0.042 0.000 1.001 287 V HN 0.872 nan 8.190 nan 0.000 0.428 288 M N 6.018 125.546 119.600 -0.120 0.000 2.180 288 M HA 0.574 5.053 4.480 -0.001 0.000 0.350 288 M C -1.390 174.837 176.300 -0.122 0.000 1.125 288 M CA -0.540 54.692 55.300 -0.113 0.000 1.031 288 M CB 1.205 33.727 32.600 -0.130 0.000 1.623 288 M HN 0.498 nan 8.290 nan 0.000 0.451 289 L N 4.778 125.915 121.223 -0.143 0.000 2.275 289 L HA 0.621 4.961 4.340 -0.001 0.000 0.288 289 L C -0.022 176.776 176.870 -0.120 0.000 1.046 289 L CA -0.527 54.221 54.840 -0.154 0.000 0.805 289 L CB 1.528 43.424 42.059 -0.272 0.000 1.193 289 L HN 0.899 nan 8.230 nan 0.000 0.426 290 A N 4.934 127.716 122.820 -0.063 0.000 3.410 290 A HA 0.389 4.708 4.320 -0.001 0.000 0.276 290 A C 0.165 177.763 177.584 0.023 0.000 0.995 290 A CA -0.368 51.663 52.037 -0.010 0.000 0.934 290 A CB -0.124 18.884 19.000 0.014 0.000 1.191 290 A HN 0.792 nan 8.150 nan 0.000 0.511 291 I N -2.529 118.046 120.570 0.009 0.000 3.856 291 I HA 0.649 4.818 4.170 -0.001 0.000 0.333 291 I C 0.491 176.641 176.117 0.055 0.000 1.525 291 I CA 0.219 61.540 61.300 0.036 0.000 1.173 291 I CB 0.235 38.250 38.000 0.024 0.000 1.175 291 I HN 0.657 nan 8.210 nan 0.000 0.424 292 G N 1.427 110.268 108.800 0.069 0.000 2.423 292 G HA2 0.027 3.986 3.960 -0.001 0.000 0.684 292 G HA3 0.027 3.986 3.960 -0.001 0.000 0.684 292 G C -1.156 173.793 174.900 0.082 0.000 1.309 292 G CA -1.167 43.984 45.100 0.085 0.000 0.950 292 G HN 0.414 nan 8.290 nan 0.000 0.587 293 R N 0.024 120.578 120.500 0.090 0.000 2.628 293 R HA 0.517 4.857 4.340 -0.001 0.000 0.288 293 R C -1.518 174.837 176.300 0.091 0.000 0.980 293 R CA -0.998 55.158 56.100 0.094 0.000 0.891 293 R CB 2.022 32.379 30.300 0.095 0.000 1.188 293 R HN 0.469 nan 8.270 nan 0.000 0.450 294 D N 2.004 122.464 120.400 0.099 0.000 2.280 294 D HA 0.220 4.859 4.640 -0.001 0.000 0.236 294 D C -0.019 176.336 176.300 0.091 0.000 1.082 294 D CA -0.183 53.872 54.000 0.092 0.000 0.834 294 D CB 1.778 42.638 40.800 0.100 0.000 1.100 294 D HN 0.601 nan 8.370 nan 0.000 0.486 295 A N 1.859 124.724 122.820 0.076 0.000 2.586 295 A HA -0.029 4.290 4.320 -0.001 0.000 0.231 295 A C 0.467 178.099 177.584 0.080 0.000 1.055 295 A CA 0.061 52.141 52.037 0.072 0.000 0.756 295 A CB 0.155 19.189 19.000 0.056 0.000 0.988 295 A HN 0.744 nan 8.150 nan 0.000 0.509 296 C N 2.605 121.954 119.300 0.080 0.000 2.328 296 C HA 0.409 4.869 4.460 -0.001 0.000 0.446 296 C C 1.663 176.701 174.990 0.079 0.000 1.090 296 C CA 0.237 59.309 59.018 0.089 0.000 1.510 296 C CB -1.871 25.923 27.740 0.090 0.000 1.543 296 C HN 0.930 nan 8.230 nan 0.000 0.533 297 T N -2.318 112.281 114.554 0.074 0.000 2.975 297 T HA 0.065 4.414 4.350 -0.001 0.000 0.257 297 T C 1.891 176.632 174.700 0.069 0.000 1.003 297 T CA -0.130 62.010 62.100 0.066 0.000 0.932 297 T CB 0.238 69.133 68.868 0.045 0.000 1.087 297 T HN 0.367 nan 8.240 nan 0.000 0.512 298 R N 2.909 123.453 120.500 0.075 0.000 2.070 298 R HA 0.134 4.474 4.340 -0.001 0.000 0.227 298 R C 1.161 177.511 176.300 0.084 0.000 1.147 298 R CA 1.040 57.181 56.100 0.069 0.000 0.924 298 R CB -0.627 29.712 30.300 0.066 0.000 0.827 298 R HN 0.398 nan 8.270 nan 0.000 0.431 299 K N 2.225 122.693 120.400 0.114 0.000 3.277 299 K HA 0.141 4.460 4.320 -0.001 0.000 0.280 299 K C 0.904 177.630 176.600 0.210 0.000 1.182 299 K CA 0.117 56.487 56.287 0.139 0.000 1.219 299 K CB -0.345 32.235 32.500 0.134 0.000 1.373 299 K HN 0.405 nan 8.250 nan 0.000 0.392 300 I N -4.026 116.651 120.570 0.178 0.000 3.817 300 I HA 0.313 4.483 4.170 -0.001 0.000 0.325 300 I C 0.453 176.718 176.117 0.246 0.000 1.550 300 I CA -0.559 60.871 61.300 0.217 0.000 1.100 300 I CB 0.575 38.683 38.000 0.179 0.000 1.216 300 I HN 0.242 nan 8.210 nan 0.000 0.481 301 G N 2.295 111.199 108.800 0.173 0.000 2.221 301 G HA2 -0.275 3.684 3.960 -0.001 0.000 0.265 301 G HA3 -0.275 3.684 3.960 -0.001 0.000 0.265 301 G C 0.604 175.559 174.900 0.092 0.000 1.041 301 G CA 0.632 45.821 45.100 0.148 0.000 0.807 301 G HN 0.521 nan 8.290 nan 0.000 0.502 302 L N 0.014 121.256 121.223 0.032 0.000 2.127 302 L HA -0.134 4.206 4.340 -0.001 0.000 0.211 302 L C 3.034 179.824 176.870 -0.132 0.000 1.089 302 L CA 1.996 56.768 54.840 -0.113 0.000 0.757 302 L CB -0.377 41.633 42.059 -0.082 0.000 0.899 302 L HN 0.680 nan 8.230 nan 0.000 0.434 303 E N 0.135 120.300 120.200 -0.059 0.000 2.051 303 E HA -0.282 4.067 4.350 -0.001 0.000 0.192 303 E C 1.962 178.528 176.600 -0.057 0.000 0.991 303 E CA 2.022 58.391 56.400 -0.052 0.000 0.799 303 E CB -0.993 28.695 29.700 -0.021 0.000 0.748 303 E HN 0.456 nan 8.360 nan 0.000 0.449 304 T N -0.836 113.700 114.554 -0.029 0.000 3.118 304 T HA -0.044 4.305 4.350 -0.001 0.000 0.269 304 T C 1.506 176.179 174.700 -0.044 0.000 1.166 304 T CA 1.180 63.273 62.100 -0.011 0.000 1.073 304 T CB 0.073 68.966 68.868 0.041 0.000 0.884 304 T HN 0.106 nan 8.240 nan 0.000 0.550 305 V N -0.930 118.897 119.914 -0.145 0.000 3.392 305 V HA 0.543 4.663 4.120 -0.001 0.000 0.294 305 V C 1.371 177.328 176.094 -0.229 0.000 1.561 305 V CA 0.518 62.694 62.300 -0.207 0.000 1.056 305 V CB 0.022 31.570 31.823 -0.458 0.000 0.882 305 V HN 0.724 nan 8.190 nan 0.000 0.440 306 G N 1.303 109.989 108.800 -0.190 0.000 2.148 306 G HA2 -0.208 3.752 3.960 -0.001 0.000 0.254 306 G HA3 -0.208 3.752 3.960 -0.001 0.000 0.254 306 G C 0.225 175.008 174.900 -0.194 0.000 0.981 306 G CA 0.392 45.396 45.100 -0.159 0.000 0.670 306 G HN 1.549 nan 8.290 nan 0.000 0.528 307 V N -0.937 118.820 119.914 -0.263 0.000 2.508 307 V HA 0.640 4.759 4.120 -0.001 0.000 0.281 307 V C 0.619 176.618 176.094 -0.159 0.000 1.041 307 V CA -0.433 61.721 62.300 -0.244 0.000 1.016 307 V CB 0.980 32.618 31.823 -0.308 0.000 0.984 307 V HN 0.635 nan 8.190 nan 0.000 0.478 308 K N 6.352 126.676 120.400 -0.128 0.000 2.172 308 K HA 0.758 5.077 4.320 -0.001 0.000 0.276 308 K C -0.235 176.319 176.600 -0.077 0.000 1.013 308 K CA -0.708 55.525 56.287 -0.090 0.000 0.913 308 K CB 2.113 34.568 32.500 -0.074 0.000 1.055 308 K HN 0.892 nan 8.250 nan 0.000 0.461 309 I N -1.045 119.491 120.570 -0.056 0.000 3.540 309 I HA 0.419 4.588 4.170 -0.001 0.000 0.288 309 I C -0.907 175.191 176.117 -0.031 0.000 1.169 309 I CA -1.156 60.119 61.300 -0.042 0.000 1.038 309 I CB 1.880 39.863 38.000 -0.028 0.000 1.338 309 I HN 0.660 nan 8.210 nan 0.000 0.507 310 N N 1.912 120.599 118.700 -0.022 0.000 2.485 310 N HA 0.138 4.877 4.740 -0.001 0.000 0.243 310 N C 0.268 175.773 175.510 -0.008 0.000 0.987 310 N CA -0.178 52.862 53.050 -0.017 0.000 0.940 310 N CB 0.947 39.425 38.487 -0.015 0.000 1.122 310 N HN 0.579 nan 8.380 nan 0.000 0.509 311 E N 2.426 122.621 120.200 -0.008 0.000 2.409 311 E HA -0.155 4.194 4.350 -0.001 0.000 0.198 311 E C 0.989 177.592 176.600 0.006 0.000 1.024 311 E CA 0.576 56.976 56.400 -0.001 0.000 0.861 311 E CB 0.417 30.115 29.700 -0.003 0.000 0.788 311 E HN 0.685 nan 8.360 nan 0.000 0.521 312 K N 0.539 120.942 120.400 0.005 0.000 2.005 312 K HA -0.088 4.231 4.320 -0.001 0.000 0.206 312 K C 2.248 178.857 176.600 0.015 0.000 1.044 312 K CA 1.718 58.011 56.287 0.009 0.000 0.942 312 K CB 0.057 32.560 32.500 0.005 0.000 0.727 312 K HN 0.147 nan 8.250 nan 0.000 0.439 313 T N -3.607 110.955 114.554 0.013 0.000 2.901 313 T HA 0.175 4.525 4.350 -0.001 0.000 0.252 313 T C 1.507 176.221 174.700 0.025 0.000 1.035 313 T CA 1.009 63.120 62.100 0.019 0.000 1.142 313 T CB 0.205 69.081 68.868 0.013 0.000 0.869 313 T HN 0.432 nan 8.240 nan 0.000 0.442 314 G N 1.207 110.018 108.800 0.019 0.000 2.211 314 G HA2 -0.129 3.830 3.960 -0.001 0.000 0.201 314 G HA3 -0.129 3.830 3.960 -0.001 0.000 0.201 314 G C -0.006 174.905 174.900 0.019 0.000 0.997 314 G CA -0.273 44.841 45.100 0.024 0.000 0.652 314 G HN 0.606 nan 8.290 nan 0.000 0.500 315 K N 0.763 121.170 120.400 0.011 0.000 2.185 315 K HA 0.543 4.862 4.320 -0.001 0.000 0.271 315 K C 0.459 177.053 176.600 -0.010 0.000 1.013 315 K CA -0.417 55.873 56.287 0.004 0.000 0.943 315 K CB 1.390 33.890 32.500 -0.001 0.000 0.998 315 K HN 0.331 nan 8.250 nan 0.000 0.468 316 I N 4.982 125.545 120.570 -0.013 0.000 2.312 316 I HA 0.120 4.290 4.170 -0.001 0.000 0.291 316 I C -1.913 174.178 176.117 -0.043 0.000 1.031 316 I CA -2.169 59.114 61.300 -0.030 0.000 1.293 316 I CB 1.207 39.191 38.000 -0.027 0.000 1.403 316 I HN 0.193 nan 8.210 nan 0.000 0.484 317 P HA 0.159 nan 4.420 nan 0.000 0.276 317 P C -0.656 176.601 177.300 -0.072 0.000 1.230 317 P CA -0.013 63.050 63.100 -0.062 0.000 0.776 317 P CB 2.088 33.753 31.700 -0.057 0.000 0.888 318 V N 2.321 122.190 119.914 -0.075 0.000 3.114 318 V HA 0.410 4.530 4.120 -0.001 0.000 0.308 318 V C 0.512 176.567 176.094 -0.065 0.000 1.168 318 V CA -0.476 61.781 62.300 -0.071 0.000 1.015 318 V CB 2.464 34.257 31.823 -0.050 0.000 1.050 318 V HN 0.805 nan 8.190 nan 0.000 0.433 319 T N 0.288 114.812 114.554 -0.050 0.000 2.667 319 T HA 0.097 4.446 4.350 -0.001 0.000 0.305 319 T C 0.740 175.431 174.700 -0.015 0.000 1.022 319 T CA 0.565 62.646 62.100 -0.031 0.000 0.995 319 T CB 0.286 69.144 68.868 -0.017 0.000 1.026 319 T HN 0.877 nan 8.240 nan 0.000 0.527 320 D N -1.138 119.262 120.400 -0.000 0.000 2.358 320 D HA -0.000 4.639 4.640 -0.001 0.000 0.241 320 D C 0.644 176.984 176.300 0.066 0.000 1.094 320 D CA 0.244 54.257 54.000 0.023 0.000 0.907 320 D CB -0.349 40.467 40.800 0.027 0.000 0.893 320 D HN 0.837 nan 8.370 nan 0.000 0.528 321 E N 0.036 120.280 120.200 0.074 0.000 2.968 321 E HA 0.077 4.427 4.350 -0.001 0.000 0.202 321 E C -0.525 176.180 176.600 0.175 0.000 0.979 321 E CA -0.290 56.175 56.400 0.109 0.000 1.192 321 E CB 0.393 30.155 29.700 0.104 0.000 1.059 321 E HN -0.027 nan 8.360 nan 0.000 0.470 322 E N 0.779 121.064 120.200 0.142 0.000 2.660 322 E HA -0.266 4.083 4.350 -0.001 0.000 0.260 322 E C -0.163 176.578 176.600 0.235 0.000 1.122 322 E CA 0.865 57.366 56.400 0.169 0.000 0.755 322 E CB -1.392 28.421 29.700 0.187 0.000 1.345 322 E HN 0.400 nan 8.360 nan 0.000 0.421 323 Q N 0.694 120.555 119.800 0.101 0.000 2.257 323 Q HA 0.417 4.756 4.340 -0.001 0.000 0.255 323 Q C 0.419 176.288 176.000 -0.218 0.000 0.920 323 Q CA 0.054 55.718 55.803 -0.231 0.000 0.927 323 Q CB 0.947 29.552 28.738 -0.222 0.000 1.229 323 Q HN 0.282 nan 8.270 nan 0.000 0.433 324 T N 0.126 114.494 114.554 -0.310 0.000 2.814 324 T HA 0.100 4.450 4.350 -0.001 0.000 0.284 324 T C 1.337 175.898 174.700 -0.231 0.000 0.998 324 T CA -0.007 61.953 62.100 -0.233 0.000 0.935 324 T CB 0.367 69.081 68.868 -0.256 0.000 1.167 324 T HN 0.832 nan 8.240 nan 0.000 0.545 325 N N -0.078 118.508 118.700 -0.189 0.000 2.205 325 N HA -0.102 4.637 4.740 -0.001 0.000 0.186 325 N C 0.391 175.788 175.510 -0.189 0.000 1.015 325 N CA 0.766 53.721 53.050 -0.159 0.000 0.862 325 N CB -0.780 37.630 38.487 -0.128 0.000 0.986 325 N HN 0.432 nan 8.380 nan 0.000 0.429 326 V N 2.755 122.508 119.914 -0.269 0.000 2.408 326 V HA 0.147 4.266 4.120 -0.001 0.000 0.267 326 V C -1.372 174.476 176.094 -0.409 0.000 1.047 326 V CA -1.175 60.929 62.300 -0.327 0.000 0.937 326 V CB 1.164 32.697 31.823 -0.483 0.000 0.999 326 V HN 0.026 nan 8.190 nan 0.000 0.472 327 P HA -0.150 nan 4.420 nan 0.000 0.219 327 P C 0.886 178.044 177.300 -0.237 0.000 1.146 327 P CA 1.353 64.322 63.100 -0.218 0.000 0.808 327 P CB -0.048 31.638 31.700 -0.024 0.000 0.779 328 Y N -2.631 117.574 120.300 -0.159 0.000 2.493 328 Y HA 0.499 5.049 4.550 -0.001 0.000 0.275 328 Y C 0.234 176.124 175.900 -0.017 0.000 1.183 328 Y CA -1.007 57.071 58.100 -0.036 0.000 1.258 328 Y CB -0.646 37.791 38.460 -0.038 0.000 1.108 328 Y HN -0.213 nan 8.280 nan 0.000 0.521 329 I N 1.582 121.740 120.570 -0.687 0.000 2.410 329 I HA 0.319 4.488 4.170 -0.001 0.000 0.286 329 I C -1.257 174.593 176.117 -0.445 0.000 1.009 329 I CA -0.857 60.182 61.300 -0.435 0.000 1.111 329 I CB 1.037 38.689 38.000 -0.579 0.000 1.262 329 I HN -0.051 nan 8.210 nan 0.000 0.443 330 Y N 4.340 124.619 120.300 -0.034 0.000 2.567 330 Y HA 0.860 5.409 4.550 -0.001 0.000 0.333 330 Y C 0.283 176.190 175.900 0.011 0.000 1.106 330 Y CA -0.935 57.153 58.100 -0.020 0.000 1.157 330 Y CB 1.859 40.317 38.460 -0.004 0.000 1.277 330 Y HN 0.529 nan 8.280 nan 0.000 0.490 331 A N 1.778 124.698 122.820 0.167 0.000 2.539 331 A HA 0.919 5.238 4.320 -0.001 0.000 0.296 331 A C -1.287 176.363 177.584 0.111 0.000 1.073 331 A CA -0.660 51.444 52.037 0.112 0.000 0.700 331 A CB 1.386 20.419 19.000 0.055 0.000 1.296 331 A HN 0.795 nan 8.150 nan 0.000 0.405 332 I N -2.160 118.466 120.570 0.094 0.000 3.093 332 I HA 0.909 5.078 4.170 -0.001 0.000 0.308 332 I C 0.243 176.409 176.117 0.081 0.000 1.303 332 I CA -0.217 61.142 61.300 0.097 0.000 0.975 332 I CB 1.933 39.987 38.000 0.090 0.000 1.286 332 I HN 2.174 nan 8.210 nan 0.000 0.459 333 G N 2.567 111.425 108.800 0.096 0.000 2.587 333 G HA2 -0.183 3.777 3.960 -0.001 0.000 0.212 333 G HA3 -0.183 3.777 3.960 -0.001 0.000 0.212 333 G C -0.116 174.829 174.900 0.075 0.000 1.327 333 G CA 0.282 45.427 45.100 0.075 0.000 0.898 333 G HN 0.828 nan 8.290 nan 0.000 0.551 334 D N 0.336 120.771 120.400 0.059 0.000 2.265 334 D HA -0.111 4.528 4.640 -0.001 0.000 0.208 334 D C 2.544 178.876 176.300 0.053 0.000 0.977 334 D CA 1.544 55.579 54.000 0.058 0.000 0.871 334 D CB -0.178 40.654 40.800 0.052 0.000 0.925 334 D HN 0.678 nan 8.370 nan 0.000 0.485 335 I N -1.848 118.753 120.570 0.051 0.000 2.830 335 I HA -0.034 4.136 4.170 -0.001 0.000 0.263 335 I C 0.932 177.066 176.117 0.028 0.000 1.230 335 I CA 0.112 61.437 61.300 0.042 0.000 1.480 335 I CB -0.356 37.671 38.000 0.045 0.000 1.095 335 I HN -0.184 nan 8.210 nan 0.000 0.455 336 L N 1.973 123.212 121.223 0.027 0.000 2.479 336 L HA 0.110 4.449 4.340 -0.001 0.000 0.270 336 L C 0.522 177.379 176.870 -0.022 0.000 1.236 336 L CA 0.315 55.153 54.840 -0.004 0.000 0.823 336 L CB 0.197 42.247 42.059 -0.015 0.000 1.098 336 L HN 0.274 nan 8.230 nan 0.000 0.500 337 E N 0.876 121.045 120.200 -0.052 0.000 2.175 337 E HA 0.070 4.419 4.350 -0.001 0.000 0.278 337 E C -0.865 175.687 176.600 -0.081 0.000 0.969 337 E CA -0.608 55.761 56.400 -0.051 0.000 0.796 337 E CB 0.762 30.433 29.700 -0.048 0.000 1.104 337 E HN 0.549 nan 8.360 nan 0.000 0.395 338 D N 3.004 123.369 120.400 -0.058 0.000 2.686 338 D HA -0.182 4.457 4.640 -0.001 0.000 0.235 338 D C -0.288 175.948 176.300 -0.108 0.000 1.160 338 D CA 0.954 54.915 54.000 -0.065 0.000 0.645 338 D CB -0.432 40.328 40.800 -0.067 0.000 1.039 338 D HN 0.405 nan 8.370 nan 0.000 0.423 339 K N -0.962 119.386 120.400 -0.086 0.000 1.828 339 K HA 0.671 4.990 4.320 -0.001 0.000 0.268 339 K C 0.196 176.861 176.600 0.108 0.000 0.973 339 K CA -0.532 55.696 56.287 -0.097 0.000 1.093 339 K CB 0.736 33.089 32.500 -0.245 0.000 2.798 339 K HN -0.072 nan 8.250 nan 0.000 1.015 340 V N 2.012 122.076 119.914 0.250 0.000 2.483 340 V HA 0.249 4.369 4.120 -0.001 0.000 0.297 340 V C -0.635 175.545 176.094 0.144 0.000 1.027 340 V CA -0.639 61.769 62.300 0.181 0.000 0.855 340 V CB 1.409 33.342 31.823 0.183 0.000 0.995 340 V HN 0.514 nan 8.190 nan 0.000 0.424 341 E N 5.281 125.543 120.200 0.104 0.000 2.148 341 E HA 0.414 4.763 4.350 -0.001 0.000 0.308 341 E C -0.886 175.737 176.600 0.038 0.000 1.278 341 E CA 0.153 56.596 56.400 0.073 0.000 1.368 341 E CB 0.081 29.819 29.700 0.065 0.000 1.229 341 E HN 0.486 nan 8.360 nan 0.000 0.494 342 L N -0.000 121.247 121.223 0.041 0.000 2.422 342 L HA 0.265 4.605 4.340 -0.001 0.000 0.264 342 L C 1.356 178.229 176.870 0.005 0.000 0.984 342 L CA -0.675 54.173 54.840 0.012 0.000 0.819 342 L CB 1.997 44.076 42.059 0.033 0.000 1.330 342 L HN 0.125 nan 8.230 nan 0.000 0.410 343 T N 0.957 115.505 114.554 -0.010 0.000 2.653 343 T HA -0.123 4.226 4.350 -0.001 0.000 0.268 343 T C -1.105 173.588 174.700 -0.013 0.000 1.035 343 T CA 1.942 64.033 62.100 -0.016 0.000 1.154 343 T CB -0.630 68.224 68.868 -0.024 0.000 0.862 343 T HN 0.487 nan 8.240 nan 0.000 0.441 344 P HA 0.046 nan 4.420 nan 0.000 0.221 344 P C 1.546 178.822 177.300 -0.039 0.000 1.150 344 P CA 0.416 63.504 63.100 -0.020 0.000 0.800 344 P CB -0.109 31.583 31.700 -0.015 0.000 0.787 345 V N 0.309 120.200 119.914 -0.037 0.000 2.307 345 V HA -0.226 3.893 4.120 -0.001 0.000 0.245 345 V C 2.470 178.539 176.094 -0.042 0.000 1.045 345 V CA 2.157 64.412 62.300 -0.075 0.000 1.024 345 V CB -1.715 30.089 31.823 -0.031 0.000 0.651 345 V HN 0.089 nan 8.190 nan 0.000 0.449 346 A N 0.186 123.006 122.820 0.001 0.000 1.892 346 A HA -0.235 4.085 4.320 -0.001 0.000 0.218 346 A C 2.192 179.774 177.584 -0.004 0.000 1.188 346 A CA 2.275 54.321 52.037 0.015 0.000 0.631 346 A CB -0.620 18.386 19.000 0.010 0.000 0.822 346 A HN 0.512 nan 8.150 nan 0.000 0.447 347 I N -1.054 119.505 120.570 -0.017 0.000 2.179 347 I HA -0.291 3.879 4.170 -0.001 0.000 0.242 347 I C 2.805 178.909 176.117 -0.022 0.000 1.088 347 I CA 1.883 63.173 61.300 -0.017 0.000 1.357 347 I CB -0.386 37.606 38.000 -0.014 0.000 1.051 347 I HN 0.469 nan 8.210 nan 0.000 0.409 348 Q N 1.351 121.125 119.800 -0.044 0.000 2.061 348 Q HA -0.206 4.133 4.340 -0.001 0.000 0.204 348 Q C 2.179 178.148 176.000 -0.053 0.000 0.984 348 Q CA 2.441 58.208 55.803 -0.060 0.000 0.846 348 Q CB -0.317 28.359 28.738 -0.104 0.000 0.902 348 Q HN 0.485 nan 8.270 nan 0.000 0.421 349 A N -0.139 122.649 122.820 -0.053 0.000 1.908 349 A HA -0.079 4.240 4.320 -0.001 0.000 0.218 349 A C 2.321 179.910 177.584 0.008 0.000 1.181 349 A CA 1.721 53.756 52.037 -0.004 0.000 0.627 349 A CB -1.492 17.549 19.000 0.068 0.000 0.818 349 A HN 0.586 nan 8.150 nan 0.000 0.445 350 G N -0.769 108.035 108.800 0.007 0.000 2.418 350 G HA2 -0.206 3.754 3.960 -0.001 0.000 0.217 350 G HA3 -0.206 3.754 3.960 -0.001 0.000 0.217 350 G C 1.794 176.698 174.900 0.008 0.000 1.158 350 G CA 0.865 45.969 45.100 0.007 0.000 0.771 350 G HN 0.554 nan 8.290 nan 0.000 0.545 351 R N -0.281 120.225 120.500 0.009 0.000 2.062 351 R HA 0.107 4.446 4.340 -0.001 0.000 0.231 351 R C 2.677 178.988 176.300 0.020 0.000 1.136 351 R CA 0.915 57.031 56.100 0.027 0.000 0.948 351 R CB -0.579 29.734 30.300 0.022 0.000 0.845 351 R HN 0.303 nan 8.270 nan 0.000 0.430 352 L N 0.738 121.958 121.223 -0.005 0.000 2.042 352 L HA -0.224 4.115 4.340 -0.001 0.000 0.210 352 L C 2.476 179.315 176.870 -0.052 0.000 1.076 352 L CA 0.723 55.550 54.840 -0.021 0.000 0.749 352 L CB -0.496 41.549 42.059 -0.024 0.000 0.893 352 L HN 0.193 nan 8.230 nan 0.000 0.432 353 L N 0.380 121.565 121.223 -0.063 0.000 1.971 353 L HA -0.228 4.112 4.340 -0.001 0.000 0.215 353 L C 2.682 179.438 176.870 -0.190 0.000 1.072 353 L CA 2.243 56.996 54.840 -0.144 0.000 0.758 353 L CB -0.913 41.060 42.059 -0.144 0.000 0.889 353 L HN 0.173 nan 8.230 nan 0.000 0.433 354 A N -1.290 121.481 122.820 -0.082 0.000 1.948 354 A HA -0.302 4.017 4.320 -0.001 0.000 0.220 354 A C 2.195 179.736 177.584 -0.071 0.000 1.177 354 A CA 2.119 54.166 52.037 0.018 0.000 0.636 354 A CB -0.669 18.435 19.000 0.174 0.000 0.815 354 A HN 0.736 nan 8.150 nan 0.000 0.449 355 Q N -1.275 118.476 119.800 -0.083 0.000 2.230 355 Q HA -0.048 4.291 4.340 -0.001 0.000 0.202 355 Q C 2.293 178.172 176.000 -0.202 0.000 0.963 355 Q CA 0.901 56.610 55.803 -0.156 0.000 0.866 355 Q CB -0.041 28.674 28.738 -0.038 0.000 0.931 355 Q HN 0.623 nan 8.270 nan 0.000 0.452 356 R N 0.013 120.395 120.500 -0.196 0.000 2.100 356 R HA 0.032 4.372 4.340 -0.001 0.000 0.220 356 R C 2.217 178.341 176.300 -0.292 0.000 1.091 356 R CA 0.615 56.600 56.100 -0.193 0.000 0.986 356 R CB -0.013 30.196 30.300 -0.151 0.000 0.888 356 R HN 0.223 nan 8.270 nan 0.000 0.444 357 L N -0.681 120.255 121.223 -0.477 0.000 2.056 357 L HA -0.146 4.193 4.340 -0.001 0.000 0.207 357 L C 1.340 177.760 176.870 -0.750 0.000 1.078 357 L CA 1.450 55.825 54.840 -0.775 0.000 0.749 357 L CB -0.145 41.059 42.059 -1.425 0.000 0.901 357 L HN 0.223 nan 8.230 nan 0.000 0.433 358 Y N -2.205 117.936 120.300 -0.265 0.000 2.453 358 Y HA 0.376 4.925 4.550 -0.001 0.000 0.247 358 Y C 1.706 177.289 175.900 -0.528 0.000 1.124 358 Y CA 0.125 58.023 58.100 -0.337 0.000 1.243 358 Y CB 0.066 38.336 38.460 -0.318 0.000 1.213 358 Y HN -0.024 nan 8.280 nan 0.000 0.523 359 A N -0.460 122.089 122.820 -0.453 0.000 2.469 359 A HA 0.574 4.893 4.320 -0.001 0.000 0.245 359 A C 1.839 179.332 177.584 -0.151 0.000 1.221 359 A CA 0.473 52.271 52.037 -0.400 0.000 0.946 359 A CB -0.453 18.238 19.000 -0.515 0.000 1.049 359 A HN 0.523 nan 8.150 nan 0.000 0.529 360 G N -0.126 108.594 108.800 -0.133 0.000 2.148 360 G HA2 -0.237 3.723 3.960 -0.001 0.000 0.254 360 G HA3 -0.237 3.723 3.960 -0.001 0.000 0.254 360 G C 0.498 175.361 174.900 -0.061 0.000 0.981 360 G CA 0.720 45.775 45.100 -0.074 0.000 0.670 360 G HN 1.204 nan 8.290 nan 0.000 0.528 361 S N -0.541 115.111 115.700 -0.080 0.000 2.600 361 S HA 0.600 5.070 4.470 -0.001 0.000 0.265 361 S C 1.450 176.022 174.600 -0.048 0.000 1.325 361 S CA 1.367 59.536 58.200 -0.053 0.000 1.002 361 S CB 0.951 64.118 63.200 -0.054 0.000 0.921 361 S HN 1.437 nan 8.310 nan 0.000 0.554 362 T N -0.115 114.421 114.554 -0.030 0.000 3.399 362 T HA 0.317 4.666 4.350 -0.001 0.000 0.305 362 T C -0.402 174.290 174.700 -0.013 0.000 0.983 362 T CA -0.391 61.696 62.100 -0.022 0.000 0.967 362 T CB -0.358 68.502 68.868 -0.013 0.000 1.186 362 T HN 0.289 nan 8.240 nan 0.000 0.504 363 V N 3.204 123.108 119.914 -0.016 0.000 2.498 363 V HA 0.413 4.532 4.120 -0.001 0.000 0.279 363 V C 0.136 176.227 176.094 -0.005 0.000 1.048 363 V CA -0.619 61.675 62.300 -0.009 0.000 0.967 363 V CB 1.019 32.835 31.823 -0.011 0.000 0.988 363 V HN 0.433 nan 8.190 nan 0.000 0.473 364 K N 3.156 123.561 120.400 0.008 0.000 2.118 364 K HA 0.492 4.812 4.320 -0.001 0.000 0.254 364 K C -0.333 176.280 176.600 0.021 0.000 0.961 364 K CA -0.628 55.676 56.287 0.028 0.000 0.876 364 K CB 1.718 34.248 32.500 0.051 0.000 1.077 364 K HN 0.658 nan 8.250 nan 0.000 0.440 365 C N 1.982 121.300 119.300 0.030 0.000 2.653 365 C HA 0.050 4.509 4.460 -0.001 0.000 0.421 365 C C 0.140 175.103 174.990 -0.046 0.000 1.334 365 C CA 0.074 59.051 59.018 -0.067 0.000 1.885 365 C CB -0.784 26.867 27.740 -0.148 0.000 2.645 365 C HN 0.768 nan 8.230 nan 0.000 0.601 366 D N 3.790 124.119 120.400 -0.118 0.000 2.412 366 D HA 0.253 4.892 4.640 -0.001 0.000 0.224 366 D C -0.181 176.058 176.300 -0.100 0.000 1.093 366 D CA -0.233 53.750 54.000 -0.028 0.000 0.850 366 D CB 0.253 41.043 40.800 -0.017 0.000 1.046 366 D HN 0.661 nan 8.370 nan 0.000 0.507 367 Y N 1.421 121.727 120.300 0.010 0.000 2.471 367 Y HA 0.159 4.708 4.550 -0.001 0.000 0.286 367 Y C 0.689 176.598 175.900 0.015 0.000 1.188 367 Y CA -0.076 58.031 58.100 0.013 0.000 1.286 367 Y CB 0.142 38.610 38.460 0.013 0.000 1.072 367 Y HN 0.223 nan 8.280 nan 0.000 0.517 368 E N 1.309 121.583 120.200 0.124 0.000 2.200 368 E HA 0.123 4.472 4.350 -0.001 0.000 0.283 368 E C 0.008 176.641 176.600 0.056 0.000 1.015 368 E CA -0.176 56.277 56.400 0.088 0.000 0.819 368 E CB 0.490 30.235 29.700 0.077 0.000 1.081 368 E HN 0.265 nan 8.360 nan 0.000 0.397 369 N N 0.729 119.465 118.700 0.060 0.000 2.758 369 N HA -0.156 4.583 4.740 -0.001 0.000 0.248 369 N C -0.602 174.922 175.510 0.024 0.000 1.076 369 N CA 0.374 53.451 53.050 0.045 0.000 0.696 369 N CB -1.448 37.061 38.487 0.036 0.000 0.979 369 N HN 0.150 nan 8.380 nan 0.000 0.550 370 V N 2.063 121.997 119.914 0.034 0.000 2.555 370 V HA 0.235 4.354 4.120 -0.001 0.000 0.286 370 V C -1.024 175.089 176.094 0.031 0.000 1.044 370 V CA -0.778 61.533 62.300 0.018 0.000 1.026 370 V CB 1.173 33.010 31.823 0.023 0.000 0.981 370 V HN 0.142 nan 8.190 nan 0.000 0.480 371 P HA 0.337 nan 4.420 nan 0.000 0.276 371 P C -0.507 176.818 177.300 0.042 0.000 1.244 371 P CA -0.066 63.038 63.100 0.007 0.000 0.801 371 P CB 1.688 33.368 31.700 -0.032 0.000 1.006 372 T N -0.611 113.966 114.554 0.038 0.000 2.802 372 T HA 0.524 4.874 4.350 -0.001 0.000 0.311 372 T C -1.543 173.131 174.700 -0.043 0.000 1.405 372 T CA -0.276 61.875 62.100 0.084 0.000 1.016 372 T CB 1.228 70.247 68.868 0.253 0.000 1.352 372 T HN 0.397 nan 8.240 nan 0.000 0.498 373 T N 1.782 116.291 114.554 -0.075 0.000 2.971 373 T HA 0.531 4.880 4.350 -0.001 0.000 0.304 373 T C -1.072 173.403 174.700 -0.375 0.000 1.038 373 T CA -0.475 61.410 62.100 -0.358 0.000 1.007 373 T CB 1.547 70.060 68.868 -0.592 0.000 1.055 373 T HN 0.543 nan 8.240 nan 0.000 0.451 374 V N 3.836 123.547 119.914 -0.340 0.000 2.364 374 V HA 0.330 4.449 4.120 -0.001 0.000 0.272 374 V C -0.279 175.665 176.094 -0.251 0.000 1.036 374 V CA -0.547 61.690 62.300 -0.106 0.000 0.880 374 V CB 0.196 31.935 31.823 -0.140 0.000 0.991 374 V HN 0.884 nan 8.190 nan 0.000 0.460 375 F N 3.525 123.492 119.950 0.029 0.000 2.705 375 F HA 0.144 4.670 4.527 -0.001 0.000 0.355 375 F C 1.581 177.213 175.800 -0.279 0.000 1.172 375 F CA -0.399 57.482 58.000 -0.199 0.000 1.332 375 F CB -0.653 38.152 39.000 -0.325 0.000 1.621 375 F HN 0.525 nan 8.300 nan 0.000 0.605 376 T N -2.044 112.527 114.554 0.028 0.000 2.788 376 T HA 0.118 4.468 4.350 -0.001 0.000 0.287 376 T C -1.456 173.355 174.700 0.184 0.000 1.007 376 T CA -1.645 60.520 62.100 0.110 0.000 1.005 376 T CB 0.872 69.808 68.868 0.113 0.000 1.012 376 T HN -0.034 nan 8.240 nan 0.000 0.530 377 P HA -0.075 nan 4.420 nan 0.000 0.217 377 P C 0.265 177.722 177.300 0.262 0.000 1.158 377 P CA 0.795 64.094 63.100 0.332 0.000 0.887 377 P CB -0.008 31.875 31.700 0.305 0.000 0.792 378 L N 0.157 121.419 121.223 0.065 0.000 2.280 378 L HA 0.218 4.557 4.340 -0.001 0.000 0.287 378 L C 0.037 176.940 176.870 0.055 0.000 1.023 378 L CA -0.641 54.150 54.840 -0.081 0.000 0.819 378 L CB 0.470 42.132 42.059 -0.662 0.000 1.212 378 L HN -0.089 nan 8.230 nan 0.000 0.420 379 E N 3.769 124.051 120.200 0.136 0.000 2.383 379 E HA 0.086 4.436 4.350 -0.001 0.000 0.264 379 E C -1.413 175.259 176.600 0.121 0.000 1.050 379 E CA -0.306 56.145 56.400 0.084 0.000 0.896 379 E CB 0.898 30.641 29.700 0.071 0.000 0.982 379 E HN 0.456 nan 8.360 nan 0.000 0.424 380 Y N 1.003 121.235 120.300 -0.113 0.000 2.328 380 Y HA 0.464 5.014 4.550 -0.001 0.000 0.333 380 Y C -0.331 175.510 175.900 -0.097 0.000 0.958 380 Y CA -1.087 56.964 58.100 -0.082 0.000 1.167 380 Y CB 1.292 39.667 38.460 -0.143 0.000 1.151 380 Y HN 0.533 nan 8.280 nan 0.000 0.470 381 G N 3.481 112.145 108.800 -0.227 0.000 2.416 381 G HA2 0.760 4.719 3.960 -0.001 0.000 0.329 381 G HA3 0.760 4.719 3.960 -0.001 0.000 0.329 381 G C -1.629 173.053 174.900 -0.363 0.000 1.173 381 G CA -0.429 44.511 45.100 -0.267 0.000 0.929 381 G HN 0.986 nan 8.290 nan 0.000 0.475 382 A N 0.037 122.663 122.820 -0.323 0.000 2.572 382 A HA 0.739 5.058 4.320 -0.001 0.000 0.295 382 A C -1.151 176.393 177.584 -0.066 0.000 1.072 382 A CA -0.592 51.299 52.037 -0.244 0.000 0.691 382 A CB 1.645 20.417 19.000 -0.381 0.000 1.291 382 A HN 1.666 nan 8.150 nan 0.000 0.404 383 C N 1.155 120.424 119.300 -0.052 0.000 2.752 383 C HA 0.824 5.284 4.460 -0.001 0.000 0.360 383 C C 0.539 175.529 174.990 0.001 0.000 1.081 383 C CA 1.306 60.319 59.018 -0.008 0.000 1.272 383 C CB 0.476 28.198 27.740 -0.029 0.000 1.754 383 C HN 2.942 nan 8.230 nan 0.000 0.483 384 G N 4.463 113.288 108.800 0.043 0.000 2.512 384 G HA2 -0.034 3.925 3.960 -0.001 0.000 0.210 384 G HA3 -0.034 3.925 3.960 -0.001 0.000 0.210 384 G C -1.029 173.952 174.900 0.136 0.000 1.295 384 G CA -0.313 44.839 45.100 0.086 0.000 0.934 384 G HN 1.118 nan 8.290 nan 0.000 0.554 385 L N 1.077 122.412 121.223 0.187 0.000 2.418 385 L HA 0.555 4.894 4.340 -0.001 0.000 0.265 385 L C 1.551 178.632 176.870 0.351 0.000 1.143 385 L CA -0.152 54.823 54.840 0.226 0.000 0.809 385 L CB 1.276 43.464 42.059 0.215 0.000 1.124 385 L HN 0.966 nan 8.230 nan 0.000 0.456 386 S N -0.169 115.711 115.700 0.299 0.000 2.634 386 S HA 0.092 4.561 4.470 -0.001 0.000 0.261 386 S C 0.814 175.508 174.600 0.156 0.000 1.271 386 S CA -0.489 57.871 58.200 0.266 0.000 0.985 386 S CB 1.320 64.626 63.200 0.177 0.000 0.968 386 S HN 0.760 nan 8.310 nan 0.000 0.568 387 E N 0.604 120.826 120.200 0.036 0.000 2.031 387 E HA -0.199 4.150 4.350 -0.001 0.000 0.193 387 E C 1.696 178.327 176.600 0.052 0.000 0.994 387 E CA 1.476 57.900 56.400 0.039 0.000 0.800 387 E CB -0.285 29.400 29.700 -0.024 0.000 0.752 387 E HN 0.770 nan 8.360 nan 0.000 0.447 388 E N 0.713 120.932 120.200 0.032 0.000 2.035 388 E HA -0.242 4.108 4.350 -0.001 0.000 0.204 388 E C 2.000 178.626 176.600 0.044 0.000 1.025 388 E CA 1.917 58.334 56.400 0.030 0.000 0.835 388 E CB -0.078 29.634 29.700 0.021 0.000 0.764 388 E HN 0.014 nan 8.360 nan 0.000 0.457 389 K N 0.023 120.457 120.400 0.057 0.000 2.280 389 K HA -0.016 4.303 4.320 -0.001 0.000 0.202 389 K C 1.690 178.331 176.600 0.068 0.000 1.047 389 K CA 1.065 57.381 56.287 0.049 0.000 0.942 389 K CB -0.282 32.250 32.500 0.054 0.000 0.739 389 K HN 0.218 nan 8.250 nan 0.000 0.457 390 A N 0.165 123.061 122.820 0.127 0.000 1.874 390 A HA -0.072 4.247 4.320 -0.001 0.000 0.214 390 A C 2.259 179.983 177.584 0.233 0.000 1.189 390 A CA 1.428 53.602 52.037 0.228 0.000 0.615 390 A CB -0.797 18.345 19.000 0.238 0.000 0.830 390 A HN 0.138 nan 8.150 nan 0.000 0.443 391 V N 0.129 120.125 119.914 0.137 0.000 2.358 391 V HA -0.209 3.910 4.120 -0.001 0.000 0.246 391 V C 2.223 178.360 176.094 0.072 0.000 1.047 391 V CA 2.797 65.162 62.300 0.108 0.000 1.035 391 V CB -0.459 31.399 31.823 0.059 0.000 0.658 391 V HN 0.667 nan 8.190 nan 0.000 0.452 392 E N 0.486 120.707 120.200 0.035 0.000 2.085 392 E HA -0.329 4.020 4.350 -0.001 0.000 0.194 392 E C 2.275 178.842 176.600 -0.055 0.000 0.994 392 E CA 2.283 58.679 56.400 -0.006 0.000 0.801 392 E CB -0.166 29.527 29.700 -0.012 0.000 0.743 392 E HN 0.761 nan 8.360 nan 0.000 0.453 393 K N -1.207 119.119 120.400 -0.122 0.000 2.137 393 K HA -0.043 4.276 4.320 -0.001 0.000 0.202 393 K C 1.528 177.865 176.600 -0.438 0.000 1.052 393 K CA 0.902 56.973 56.287 -0.359 0.000 0.961 393 K CB 0.035 32.157 32.500 -0.630 0.000 0.741 393 K HN 0.058 nan 8.250 nan 0.000 0.452 394 F N 0.001 119.963 119.950 0.020 0.000 2.706 394 F HA 0.344 4.870 4.527 -0.002 0.000 0.308 394 F C 0.392 176.201 175.800 0.014 0.000 1.095 394 F CA 0.031 58.042 58.000 0.019 0.000 1.244 394 F CB 1.537 40.551 39.000 0.025 0.000 1.063 394 F HN 0.109 nan 8.300 nan 0.000 0.582 395 G N 1.852 110.753 108.800 0.169 0.000 3.172 395 G HA2 -0.247 3.712 3.960 -0.001 0.000 0.686 395 G HA3 -0.247 3.712 3.960 -0.001 0.000 0.686 395 G C 0.364 175.320 174.900 0.094 0.000 1.009 395 G CA -0.013 45.148 45.100 0.102 0.000 0.787 395 G HN 0.391 nan 8.290 nan 0.000 0.559 396 E N 1.282 121.517 120.200 0.058 0.000 2.086 396 E HA -0.308 4.041 4.350 -0.001 0.000 0.205 396 E C 2.293 178.909 176.600 0.027 0.000 1.027 396 E CA 2.452 58.874 56.400 0.037 0.000 0.830 396 E CB -0.056 29.655 29.700 0.018 0.000 0.751 396 E HN 0.769 nan 8.360 nan 0.000 0.456 397 E N 0.196 120.411 120.200 0.025 0.000 2.333 397 E HA -0.231 4.119 4.350 -0.001 0.000 0.200 397 E C 0.809 177.420 176.600 0.017 0.000 1.010 397 E CA 1.200 57.609 56.400 0.016 0.000 0.841 397 E CB -0.368 29.343 29.700 0.018 0.000 0.757 397 E HN 0.439 nan 8.360 nan 0.000 0.508 398 N N 0.235 118.956 118.700 0.035 0.000 2.205 398 N HA 0.131 4.870 4.740 -0.001 0.000 0.201 398 N C -0.097 175.413 175.510 0.001 0.000 1.128 398 N CA -0.079 52.984 53.050 0.023 0.000 0.867 398 N CB 0.989 39.507 38.487 0.052 0.000 0.996 398 N HN 0.123 nan 8.380 nan 0.000 0.503 399 I N 1.433 122.012 120.570 0.015 0.000 2.377 399 I HA 0.257 4.426 4.170 -0.001 0.000 0.293 399 I C -0.015 176.088 176.117 -0.023 0.000 0.987 399 I CA -0.444 60.860 61.300 0.007 0.000 1.185 399 I CB 1.794 39.822 38.000 0.047 0.000 1.341 399 I HN -0.154 nan 8.210 nan 0.000 0.455 400 E N 5.138 125.324 120.200 -0.024 0.000 2.176 400 E HA 0.480 4.830 4.350 -0.001 0.000 0.267 400 E C -1.388 175.160 176.600 -0.087 0.000 0.893 400 E CA -0.483 55.855 56.400 -0.102 0.000 0.761 400 E CB 1.785 31.419 29.700 -0.109 0.000 1.133 400 E HN 0.271 nan 8.360 nan 0.000 0.409 401 V N 5.814 125.615 119.914 -0.189 0.000 2.347 401 V HA 0.331 4.450 4.120 -0.001 0.000 0.280 401 V C -0.897 175.065 176.094 -0.221 0.000 1.021 401 V CA -0.653 61.573 62.300 -0.123 0.000 0.847 401 V CB 0.305 32.038 31.823 -0.151 0.000 0.990 401 V HN 0.600 nan 8.190 nan 0.000 0.444 402 Y N 4.863 125.139 120.300 -0.041 0.000 2.320 402 Y HA 0.656 5.206 4.550 -0.001 0.000 0.334 402 Y C 0.573 176.481 175.900 0.014 0.000 1.055 402 Y CA -0.482 57.613 58.100 -0.008 0.000 1.143 402 Y CB 1.083 39.540 38.460 -0.005 0.000 1.193 402 Y HN 0.846 nan 8.280 nan 0.000 0.477 403 H N -1.128 117.914 119.070 -0.047 0.000 3.017 403 H HA 0.833 5.389 4.556 -0.001 0.000 0.346 403 H C -1.492 173.676 175.328 -0.267 0.000 1.286 403 H CA -1.167 54.728 56.048 -0.255 0.000 1.120 403 H CB 2.156 31.752 29.762 -0.277 0.000 1.860 403 H HN 0.519 nan 8.280 nan 0.000 0.542 404 S N 1.009 116.380 115.700 -0.548 0.000 2.543 404 S HA 0.317 4.786 4.470 -0.001 0.000 0.274 404 S C -1.723 172.647 174.600 -0.384 0.000 1.149 404 S CA -0.710 57.233 58.200 -0.428 0.000 0.866 404 S CB 0.948 64.018 63.200 -0.216 0.000 1.111 404 S HN 0.538 nan 8.310 nan 0.000 0.457 405 Y N 2.365 122.651 120.300 -0.023 0.000 2.295 405 Y HA 0.665 5.214 4.550 -0.002 0.000 0.331 405 Y C 0.319 176.307 175.900 0.145 0.000 1.311 405 Y CA 0.219 58.349 58.100 0.050 0.000 1.430 405 Y CB 0.804 39.269 38.460 0.009 0.000 1.339 405 Y HN 0.698 nan 8.280 nan 0.000 0.552 406 F N -1.720 118.336 119.950 0.176 0.000 2.741 406 F HA 0.482 5.008 4.527 -0.001 0.000 0.311 406 F C -2.223 173.704 175.800 0.212 0.000 1.149 406 F CA -1.702 56.371 58.000 0.123 0.000 0.930 406 F CB 1.064 40.065 39.000 0.001 0.000 1.312 406 F HN 0.395 nan 8.300 nan 0.000 0.450 407 W N 4.366 125.769 121.300 0.172 0.000 2.543 407 W HA 0.691 5.351 4.660 -0.001 0.000 0.318 407 W C -3.067 173.448 176.519 -0.006 0.000 1.002 407 W CA -3.295 54.062 57.345 0.021 0.000 1.302 407 W CB 1.448 30.964 29.460 0.094 0.000 1.299 407 W HN 0.389 nan 8.180 nan 0.000 0.424 408 P HA -0.123 nan 4.420 nan 0.000 0.261 408 P C 1.100 178.171 177.300 -0.382 0.000 1.183 408 P CA 0.104 62.977 63.100 -0.377 0.000 0.761 408 P CB 0.642 31.733 31.700 -1.014 0.000 0.785 409 L N 4.997 126.086 121.223 -0.223 0.000 1.997 409 L HA -0.260 4.080 4.340 -0.001 0.000 0.216 409 L C 1.680 178.471 176.870 -0.132 0.000 1.074 409 L CA 2.092 56.806 54.840 -0.211 0.000 0.763 409 L CB -1.198 40.785 42.059 -0.127 0.000 0.890 409 L HN 0.337 nan 8.230 nan 0.000 0.434 410 E N -1.404 118.789 120.200 -0.011 0.000 2.333 410 E HA -0.250 4.099 4.350 -0.001 0.000 0.200 410 E C 1.675 178.520 176.600 0.410 0.000 1.010 410 E CA 1.339 57.867 56.400 0.212 0.000 0.841 410 E CB -0.403 29.414 29.700 0.195 0.000 0.757 410 E HN 0.603 nan 8.360 nan 0.000 0.508 411 W N 0.094 121.364 121.300 -0.050 0.000 3.139 411 W HA 0.130 4.789 4.660 -0.001 0.000 0.260 411 W C 1.988 178.425 176.519 -0.136 0.000 1.312 411 W CA 0.961 58.312 57.345 0.011 0.000 1.606 411 W CB -0.904 28.662 29.460 0.177 0.000 1.118 411 W HN 0.158 nan 8.180 nan 0.000 0.675 412 T N -2.347 112.047 114.554 -0.268 0.000 2.812 412 T HA -0.133 4.216 4.350 -0.001 0.000 0.264 412 T C 1.798 176.432 174.700 -0.110 0.000 1.042 412 T CA 1.031 62.855 62.100 -0.460 0.000 1.140 412 T CB -0.443 68.037 68.868 -0.646 0.000 0.870 412 T HN -0.151 nan 8.240 nan 0.000 0.445 413 I N 2.691 123.188 120.570 -0.122 0.000 2.179 413 I HA -0.010 4.159 4.170 -0.001 0.000 0.242 413 I C -0.509 175.545 176.117 -0.106 0.000 1.088 413 I CA 0.771 61.924 61.300 -0.244 0.000 1.357 413 I CB -2.264 35.257 38.000 -0.798 0.000 1.051 413 I HN 0.246 nan 8.210 nan 0.000 0.409 414 P HA -0.071 nan 4.420 nan 0.000 0.230 414 P C 0.535 177.912 177.300 0.128 0.000 1.158 414 P CA 0.790 63.950 63.100 0.101 0.000 0.769 414 P CB -0.011 31.789 31.700 0.167 0.000 0.807 415 S N -0.211 115.602 115.700 0.188 0.000 3.697 415 S HA -0.196 4.273 4.470 -0.001 0.000 0.388 415 S C 0.084 174.865 174.600 0.301 0.000 0.941 415 S CA 0.516 58.886 58.200 0.283 0.000 1.247 415 S CB -1.721 61.580 63.200 0.167 0.000 0.904 415 S HN 0.501 nan 8.310 nan 0.000 0.518 416 R N 0.196 120.949 120.500 0.423 0.000 2.836 416 R HA 0.687 5.026 4.340 -0.001 0.000 0.269 416 R C -0.653 175.883 176.300 0.393 0.000 1.010 416 R CA -0.382 55.883 56.100 0.275 0.000 0.930 416 R CB 0.366 30.722 30.300 0.094 0.000 1.218 416 R HN 0.081 nan 8.270 nan 0.000 0.473 417 D N 0.524 121.024 120.400 0.166 0.000 2.720 417 D HA -0.217 4.422 4.640 -0.001 0.000 0.229 417 D C -0.727 175.616 176.300 0.072 0.000 1.198 417 D CA 1.132 55.232 54.000 0.168 0.000 0.639 417 D CB -0.854 40.050 40.800 0.173 0.000 1.003 417 D HN 0.614 nan 8.370 nan 0.000 0.411 418 N N 1.040 119.456 118.700 -0.473 0.000 2.482 418 N HA 0.011 4.751 4.740 -0.001 0.000 0.260 418 N C 0.299 175.485 175.510 -0.540 0.000 1.236 418 N CA 0.193 52.499 53.050 -1.241 0.000 0.938 418 N CB 0.238 37.756 38.487 -1.614 0.000 1.128 418 N HN 0.213 nan 8.380 nan 0.000 0.448 419 N N 0.382 118.833 118.700 -0.415 0.000 2.714 419 N HA -0.223 4.516 4.740 -0.001 0.000 0.252 419 N C -0.224 175.202 175.510 -0.140 0.000 1.014 419 N CA 0.151 53.065 53.050 -0.226 0.000 0.735 419 N CB -0.038 38.213 38.487 -0.393 0.000 0.924 419 N HN 0.543 nan 8.380 nan 0.000 0.540 420 K N -0.520 119.901 120.400 0.035 0.000 2.306 420 K HA 0.165 4.485 4.320 -0.001 0.000 0.200 420 K C 0.743 177.425 176.600 0.137 0.000 1.083 420 K CA 0.393 56.769 56.287 0.149 0.000 0.959 420 K CB 0.027 32.702 32.500 0.291 0.000 0.994 420 K HN 0.225 nan 8.250 nan 0.000 0.492 421 C N 2.159 121.408 119.300 -0.086 0.000 2.662 421 C HA 0.227 4.687 4.460 -0.001 0.000 0.420 421 C C 0.255 175.008 174.990 -0.396 0.000 1.314 421 C CA -0.412 58.318 59.018 -0.480 0.000 1.963 421 C CB -1.240 25.629 27.740 -1.452 0.000 2.686 421 C HN 0.365 nan 8.230 nan 0.000 0.609 422 Y N 1.067 121.177 120.300 -0.318 0.000 2.470 422 Y HA 0.616 5.165 4.550 -0.001 0.000 0.341 422 Y C -0.334 175.586 175.900 0.033 0.000 1.021 422 Y CA -0.472 57.504 58.100 -0.206 0.000 1.025 422 Y CB 1.045 39.353 38.460 -0.253 0.000 1.266 422 Y HN 0.857 nan 8.280 nan 0.000 0.448 423 A N 5.980 128.459 122.820 -0.569 0.000 2.401 423 A HA 0.853 5.172 4.320 -0.001 0.000 0.310 423 A C -1.522 175.602 177.584 -0.767 0.000 1.075 423 A CA -0.802 50.901 52.037 -0.557 0.000 0.746 423 A CB 1.547 19.943 19.000 -1.008 0.000 1.277 423 A HN 0.739 nan 8.150 nan 0.000 0.425 424 K N 1.471 121.669 120.400 -0.336 0.000 2.557 424 K HA 0.671 4.991 4.320 -0.001 0.000 0.261 424 K C -1.765 174.873 176.600 0.064 0.000 0.932 424 K CA -0.614 55.575 56.287 -0.165 0.000 0.829 424 K CB 1.505 33.920 32.500 -0.142 0.000 1.358 424 K HN 0.974 nan 8.250 nan 0.000 0.430 425 I N -0.071 120.568 120.570 0.115 0.000 2.689 425 I HA 0.571 4.740 4.170 -0.001 0.000 0.299 425 I C -1.183 175.050 176.117 0.194 0.000 1.059 425 I CA -1.412 59.990 61.300 0.170 0.000 1.055 425 I CB 1.777 39.873 38.000 0.159 0.000 1.243 425 I HN 0.429 nan 8.210 nan 0.000 0.425 426 I N 4.038 124.725 120.570 0.195 0.000 2.378 426 I HA 0.454 4.624 4.170 -0.001 0.000 0.291 426 I C -0.603 175.592 176.117 0.130 0.000 0.992 426 I CA -0.119 61.277 61.300 0.160 0.000 1.154 426 I CB 1.595 39.696 38.000 0.168 0.000 1.315 426 I HN 0.665 nan 8.210 nan 0.000 0.448 427 C N 4.308 123.679 119.300 0.119 0.000 2.417 427 C HA 0.481 4.940 4.460 -0.001 0.000 0.324 427 C C 0.209 175.181 174.990 -0.029 0.000 1.240 427 C CA -0.785 58.274 59.018 0.068 0.000 1.632 427 C CB 1.183 29.028 27.740 0.175 0.000 2.241 427 C HN 0.779 nan 8.230 nan 0.000 0.499 428 N N 0.717 119.327 118.700 -0.150 0.000 2.589 428 N HA 0.138 4.877 4.740 -0.001 0.000 0.232 428 N C 1.095 176.501 175.510 -0.173 0.000 1.015 428 N CA -0.085 52.785 53.050 -0.302 0.000 0.931 428 N CB 0.904 38.944 38.487 -0.745 0.000 1.150 428 N HN 0.789 nan 8.380 nan 0.000 0.512 429 T N 0.270 114.772 114.554 -0.088 0.000 3.025 429 T HA -0.106 4.243 4.350 -0.001 0.000 0.270 429 T C 1.358 176.032 174.700 -0.043 0.000 1.126 429 T CA 0.940 63.018 62.100 -0.038 0.000 1.105 429 T CB -0.095 68.768 68.868 -0.008 0.000 0.884 429 T HN 0.277 nan 8.240 nan 0.000 0.522 430 K N 1.224 121.582 120.400 -0.070 0.000 2.444 430 K HA 0.135 4.454 4.320 -0.001 0.000 0.193 430 K C 0.539 177.110 176.600 -0.048 0.000 1.024 430 K CA 0.284 56.548 56.287 -0.038 0.000 1.077 430 K CB 0.044 32.535 32.500 -0.013 0.000 0.833 430 K HN 0.343 nan 8.250 nan 0.000 0.517 431 D N -0.164 120.186 120.400 -0.083 0.000 2.952 431 D HA 0.120 4.759 4.640 -0.001 0.000 0.373 431 D C -1.163 175.106 176.300 -0.052 0.000 1.360 431 D CA -0.198 53.761 54.000 -0.069 0.000 0.788 431 D CB -0.602 40.132 40.800 -0.111 0.000 1.192 431 D HN 0.102 nan 8.370 nan 0.000 0.462 432 N N 1.466 120.146 118.700 -0.033 0.000 2.735 432 N HA -0.239 4.500 4.740 -0.001 0.000 0.248 432 N C -0.476 175.021 175.510 -0.022 0.000 1.083 432 N CA 1.014 54.052 53.050 -0.020 0.000 0.703 432 N CB -1.732 36.745 38.487 -0.015 0.000 1.005 432 N HN 0.502 nan 8.380 nan 0.000 0.550 433 E N -2.638 117.547 120.200 -0.025 0.000 2.476 433 E HA -0.330 4.020 4.350 -0.001 0.000 0.251 433 E C 0.020 176.603 176.600 -0.029 0.000 1.130 433 E CA 0.631 57.024 56.400 -0.012 0.000 0.736 433 E CB -0.514 29.195 29.700 0.017 0.000 1.298 433 E HN 0.501 nan 8.360 nan 0.000 0.400 434 R N 0.215 120.683 120.500 -0.055 0.000 2.537 434 R HA 0.049 4.388 4.340 -0.001 0.000 0.281 434 R C -0.500 175.779 176.300 -0.034 0.000 0.988 434 R CA 0.312 56.383 56.100 -0.049 0.000 1.077 434 R CB 0.629 30.885 30.300 -0.073 0.000 0.932 434 R HN 0.019 nan 8.270 nan 0.000 0.409 435 V N 7.473 127.386 119.914 -0.002 0.000 2.370 435 V HA 0.023 4.142 4.120 -0.001 0.000 0.257 435 V C 0.993 177.117 176.094 0.049 0.000 1.064 435 V CA 0.274 62.594 62.300 0.033 0.000 0.975 435 V CB 0.802 32.649 31.823 0.040 0.000 1.067 435 V HN 0.804 nan 8.190 nan 0.000 0.485 436 V N 2.099 122.052 119.914 0.065 0.000 3.643 436 V HA 0.625 4.745 4.120 -0.001 0.000 0.280 436 V C 0.763 176.948 176.094 0.153 0.000 1.351 436 V CA 0.618 62.982 62.300 0.107 0.000 1.073 436 V CB 0.232 32.124 31.823 0.116 0.000 0.863 436 V HN 0.735 nan 8.190 nan 0.000 0.436 437 G N -0.100 108.797 108.800 0.162 0.000 2.753 437 G HA2 0.586 4.546 3.960 -0.001 0.000 0.295 437 G HA3 0.586 4.546 3.960 -0.001 0.000 0.295 437 G C -1.986 173.016 174.900 0.169 0.000 1.437 437 G CA -0.515 44.702 45.100 0.195 0.000 1.094 437 G HN 0.170 nan 8.290 nan 0.000 0.540 438 F N 3.346 123.166 119.950 -0.216 0.000 2.518 438 F HA 0.669 5.195 4.527 -0.001 0.000 0.323 438 F C -0.700 174.773 175.800 -0.545 0.000 1.129 438 F CA -0.665 57.172 58.000 -0.270 0.000 0.920 438 F CB 1.658 40.480 39.000 -0.296 0.000 1.160 438 F HN 0.464 nan 8.300 nan 0.000 0.440 439 H N 5.236 124.020 119.070 -0.477 0.000 2.759 439 H HA 0.617 5.173 4.556 -0.001 0.000 0.354 439 H C -1.469 173.787 175.328 -0.120 0.000 1.074 439 H CA -0.827 55.160 56.048 -0.101 0.000 1.226 439 H CB 2.196 32.085 29.762 0.213 0.000 1.648 439 H HN 0.535 nan 8.280 nan 0.000 0.529 440 V N 4.858 124.890 119.914 0.197 0.000 2.623 440 V HA 0.275 4.394 4.120 -0.001 0.000 0.304 440 V C -1.425 174.920 176.094 0.419 0.000 1.054 440 V CA -0.746 61.753 62.300 0.332 0.000 0.882 440 V CB 2.230 34.286 31.823 0.387 0.000 1.002 440 V HN 0.507 nan 8.190 nan 0.000 0.424 441 L N 7.492 128.941 121.223 0.377 0.000 2.301 441 L HA 1.016 5.355 4.340 -0.001 0.000 0.278 441 L C 0.059 177.054 176.870 0.207 0.000 1.022 441 L CA 1.009 56.014 54.840 0.274 0.000 0.854 441 L CB 0.670 42.836 42.059 0.179 0.000 1.226 441 L HN 0.920 nan 8.230 nan 0.000 0.429 442 G N 4.308 113.250 108.800 0.236 0.000 2.430 442 G HA2 0.394 4.353 3.960 -0.001 0.000 0.300 442 G HA3 0.394 4.353 3.960 -0.001 0.000 0.300 442 G C -3.400 171.652 174.900 0.253 0.000 1.330 442 G CA -0.683 44.554 45.100 0.227 0.000 0.813 442 G HN 0.355 nan 8.290 nan 0.000 0.487 443 P HA 0.182 nan 4.420 nan 0.000 0.275 443 P C -0.354 177.085 177.300 0.232 0.000 1.228 443 P CA 0.098 63.362 63.100 0.273 0.000 0.786 443 P CB 0.729 32.601 31.700 0.287 0.000 0.927 444 N N 0.323 119.166 118.700 0.238 0.000 2.725 444 N HA -0.222 4.517 4.740 -0.001 0.000 0.249 444 N C 1.173 176.796 175.510 0.188 0.000 1.103 444 N CA 1.058 54.233 53.050 0.208 0.000 0.707 444 N CB -1.891 36.692 38.487 0.159 0.000 1.043 444 N HN 0.607 nan 8.380 nan 0.000 0.553 445 A N 0.072 123.000 122.820 0.181 0.000 1.986 445 A HA -0.055 4.264 4.320 -0.001 0.000 0.220 445 A C 2.318 179.962 177.584 0.100 0.000 1.171 445 A CA 2.335 54.464 52.037 0.153 0.000 0.640 445 A CB -0.821 18.243 19.000 0.107 0.000 0.811 445 A HN 0.552 nan 8.150 nan 0.000 0.451 446 G N -0.453 108.392 108.800 0.074 0.000 2.421 446 G HA2 -0.188 3.771 3.960 -0.001 0.000 0.216 446 G HA3 -0.188 3.771 3.960 -0.001 0.000 0.216 446 G C 1.357 176.306 174.900 0.083 0.000 1.171 446 G CA 0.952 46.100 45.100 0.079 0.000 0.775 446 G HN 0.499 nan 8.290 nan 0.000 0.543 447 E N 0.534 120.796 120.200 0.102 0.000 2.077 447 E HA -0.094 4.255 4.350 -0.001 0.000 0.193 447 E C 2.853 179.473 176.600 0.034 0.000 0.989 447 E CA 0.782 57.216 56.400 0.058 0.000 0.800 447 E CB -0.776 28.964 29.700 0.067 0.000 0.746 447 E HN 0.318 nan 8.360 nan 0.000 0.452 448 V N 1.402 121.372 119.914 0.094 0.000 2.295 448 V HA -0.222 3.897 4.120 -0.001 0.000 0.246 448 V C 2.351 178.502 176.094 0.095 0.000 1.049 448 V CA 2.200 64.582 62.300 0.138 0.000 1.024 448 V CB -0.834 31.152 31.823 0.272 0.000 0.648 448 V HN 0.283 nan 8.190 nan 0.000 0.447 449 T N -0.951 113.655 114.554 0.087 0.000 2.867 449 T HA -0.227 4.123 4.350 -0.001 0.000 0.268 449 T C 1.871 176.465 174.700 -0.176 0.000 1.057 449 T CA 1.498 63.566 62.100 -0.053 0.000 1.136 449 T CB -0.225 68.665 68.868 0.036 0.000 0.874 449 T HN 0.416 nan 8.240 nan 0.000 0.466 450 Q N 1.421 121.150 119.800 -0.117 0.000 2.062 450 Q HA -0.125 4.214 4.340 -0.001 0.000 0.209 450 Q C 2.404 178.273 176.000 -0.218 0.000 0.996 450 Q CA 2.395 58.116 55.803 -0.136 0.000 0.859 450 Q CB -1.089 27.593 28.738 -0.092 0.000 0.920 450 Q HN 0.516 nan 8.270 nan 0.000 0.415 451 G N -1.391 107.221 108.800 -0.313 0.000 2.408 451 G HA2 -0.214 3.746 3.960 -0.001 0.000 0.217 451 G HA3 -0.214 3.746 3.960 -0.001 0.000 0.217 451 G C 1.024 175.618 174.900 -0.509 0.000 1.150 451 G CA 0.725 45.575 45.100 -0.417 0.000 0.776 451 G HN 0.392 nan 8.290 nan 0.000 0.542 452 F N 1.809 121.489 119.950 -0.450 0.000 2.234 452 F HA 0.112 4.639 4.527 -0.001 0.000 0.299 452 F C 2.942 178.467 175.800 -0.458 0.000 1.087 452 F CA 0.512 58.163 58.000 -0.582 0.000 1.340 452 F CB -0.424 37.843 39.000 -1.221 0.000 1.031 452 F HN 0.240 nan 8.300 nan 0.000 0.500 453 A N 0.156 122.818 122.820 -0.263 0.000 1.902 453 A HA -0.080 4.239 4.320 -0.001 0.000 0.217 453 A C 2.430 179.936 177.584 -0.131 0.000 1.181 453 A CA 1.754 53.688 52.037 -0.171 0.000 0.623 453 A CB -1.274 17.643 19.000 -0.137 0.000 0.818 453 A HN 0.283 nan 8.150 nan 0.000 0.443 454 A N -0.517 122.213 122.820 -0.151 0.000 2.067 454 A HA 0.244 4.563 4.320 -0.001 0.000 0.219 454 A C 2.348 179.870 177.584 -0.103 0.000 1.158 454 A CA 1.787 53.753 52.037 -0.119 0.000 0.661 454 A CB -0.693 18.230 19.000 -0.129 0.000 0.801 454 A HN 0.940 nan 8.150 nan 0.000 0.452 455 A N -0.095 122.657 122.820 -0.115 0.000 1.874 455 A HA 0.074 4.393 4.320 -0.001 0.000 0.214 455 A C 2.048 179.610 177.584 -0.035 0.000 1.189 455 A CA 1.153 53.151 52.037 -0.065 0.000 0.615 455 A CB -0.509 18.477 19.000 -0.024 0.000 0.830 455 A HN 0.419 nan 8.150 nan 0.000 0.443 456 L N -0.424 120.777 121.223 -0.038 0.000 2.079 456 L HA -0.189 4.150 4.340 -0.001 0.000 0.210 456 L C 2.281 179.142 176.870 -0.015 0.000 1.081 456 L CA 1.354 56.183 54.840 -0.017 0.000 0.752 456 L CB -0.643 41.407 42.059 -0.015 0.000 0.896 456 L HN 0.341 nan 8.230 nan 0.000 0.433 457 K N -0.254 120.129 120.400 -0.029 0.000 2.360 457 K HA -0.115 4.204 4.320 -0.001 0.000 0.201 457 K C 1.684 178.273 176.600 -0.018 0.000 1.046 457 K CA 0.914 57.188 56.287 -0.022 0.000 0.945 457 K CB -0.180 32.300 32.500 -0.034 0.000 0.750 457 K HN 0.445 nan 8.250 nan 0.000 0.464 458 C N -0.159 119.128 119.300 -0.021 0.000 2.906 458 C HA 0.256 4.716 4.460 -0.001 0.000 0.274 458 C C 1.252 176.236 174.990 -0.010 0.000 1.257 458 C CA -0.035 58.972 59.018 -0.018 0.000 1.695 458 C CB -0.524 27.200 27.740 -0.027 0.000 1.958 458 C HN 0.637 nan 8.230 nan 0.000 0.619 459 G N 1.298 110.096 108.800 -0.004 0.000 2.149 459 G HA2 -0.239 3.720 3.960 -0.001 0.000 0.235 459 G HA3 -0.239 3.720 3.960 -0.001 0.000 0.235 459 G C 0.024 174.922 174.900 -0.002 0.000 1.018 459 G CA 0.189 45.289 45.100 0.000 0.000 0.728 459 G HN 0.546 nan 8.290 nan 0.000 0.508 460 L N 1.894 123.117 121.223 -0.000 0.000 2.667 460 L HA 0.433 4.772 4.340 -0.001 0.000 0.296 460 L C 1.078 177.947 176.870 -0.002 0.000 1.252 460 L CA 1.650 56.493 54.840 0.004 0.000 0.891 460 L CB 0.356 42.427 42.059 0.020 0.000 1.141 460 L HN 0.740 nan 8.230 nan 0.000 0.501 461 T N 1.159 115.707 114.554 -0.009 0.000 2.924 461 T HA 0.396 4.746 4.350 -0.001 0.000 0.291 461 T C 0.711 175.388 174.700 -0.038 0.000 1.045 461 T CA -0.533 61.554 62.100 -0.022 0.000 1.015 461 T CB 1.595 70.450 68.868 -0.021 0.000 1.103 461 T HN 0.582 nan 8.240 nan 0.000 0.496 462 K N 1.263 121.623 120.400 -0.067 0.000 2.103 462 K HA -0.105 4.214 4.320 -0.001 0.000 0.207 462 K C 2.057 178.595 176.600 -0.103 0.000 1.048 462 K CA 1.846 58.052 56.287 -0.135 0.000 0.930 462 K CB -0.562 31.791 32.500 -0.244 0.000 0.716 462 K HN 0.736 nan 8.250 nan 0.000 0.444 463 K N 0.328 120.689 120.400 -0.064 0.000 2.009 463 K HA -0.217 4.102 4.320 -0.001 0.000 0.210 463 K C 2.152 178.733 176.600 -0.030 0.000 1.049 463 K CA 2.064 58.326 56.287 -0.042 0.000 0.929 463 K CB -0.131 32.354 32.500 -0.025 0.000 0.714 463 K HN 0.301 nan 8.250 nan 0.000 0.440 464 Q N 0.252 120.039 119.800 -0.021 0.000 2.124 464 Q HA -0.167 4.172 4.340 -0.001 0.000 0.202 464 Q C 2.147 178.148 176.000 0.002 0.000 0.977 464 Q CA 1.338 57.136 55.803 -0.009 0.000 0.850 464 Q CB -0.177 28.559 28.738 -0.005 0.000 0.901 464 Q HN 0.265 nan 8.270 nan 0.000 0.429 465 L N 1.224 122.446 121.223 -0.000 0.000 2.046 465 L HA -0.185 4.155 4.340 -0.001 0.000 0.208 465 L C 1.270 178.146 176.870 0.011 0.000 1.077 465 L CA 1.922 56.778 54.840 0.027 0.000 0.747 465 L CB -0.347 41.717 42.059 0.007 0.000 0.896 465 L HN 0.065 nan 8.230 nan 0.000 0.432 466 D N -1.136 119.246 120.400 -0.030 0.000 2.219 466 D HA -0.120 4.519 4.640 -0.001 0.000 0.205 466 D C 2.284 178.577 176.300 -0.011 0.000 0.970 466 D CA 1.293 55.274 54.000 -0.032 0.000 0.851 466 D CB -0.034 40.733 40.800 -0.056 0.000 0.943 466 D HN 0.541 nan 8.370 nan 0.000 0.488 467 S N -1.145 114.551 115.700 -0.006 0.000 2.593 467 S HA 0.055 4.525 4.470 -0.001 0.000 0.217 467 S C 0.758 175.361 174.600 0.005 0.000 0.966 467 S CA -0.253 57.945 58.200 -0.002 0.000 0.914 467 S CB 0.004 63.200 63.200 -0.005 0.000 0.776 467 S HN -0.111 nan 8.310 nan 0.000 0.523 468 T N 3.876 118.441 114.554 0.018 0.000 2.882 468 T HA 0.467 4.816 4.350 -0.001 0.000 0.287 468 T C -0.102 174.615 174.700 0.029 0.000 0.992 468 T CA -0.492 61.624 62.100 0.027 0.000 1.076 468 T CB 0.728 69.630 68.868 0.057 0.000 0.961 468 T HN 0.167 nan 8.240 nan 0.000 0.490 469 I N 2.674 123.256 120.570 0.020 0.000 2.396 469 I HA 0.341 4.511 4.170 -0.001 0.000 0.292 469 I C 1.298 177.434 176.117 0.031 0.000 0.999 469 I CA -0.459 60.852 61.300 0.017 0.000 1.310 469 I CB 0.804 38.808 38.000 0.006 0.000 1.404 469 I HN 0.695 nan 8.210 nan 0.000 0.496 470 G N 6.187 115.007 108.800 0.034 0.000 2.651 470 G HA2 0.498 4.457 3.960 -0.001 0.000 0.260 470 G HA3 0.498 4.457 3.960 -0.001 0.000 0.260 470 G C -0.252 174.678 174.900 0.051 0.000 1.216 470 G CA -0.509 44.623 45.100 0.054 0.000 0.913 470 G HN 0.526 nan 8.290 nan 0.000 0.535 471 I N -0.272 120.337 120.570 0.067 0.000 2.441 471 I HA 0.299 4.468 4.170 -0.001 0.000 0.295 471 I C -0.562 175.630 176.117 0.124 0.000 0.994 471 I CA -0.718 60.623 61.300 0.068 0.000 1.144 471 I CB 2.058 40.080 38.000 0.037 0.000 1.314 471 I HN 0.528 nan 8.210 nan 0.000 0.445 472 H N 6.934 126.002 119.070 -0.002 0.000 2.637 472 H HA 0.591 5.147 4.556 -0.001 0.000 0.363 472 H C -2.545 172.781 175.328 -0.003 0.000 1.131 472 H CA -1.733 54.312 56.048 -0.004 0.000 1.183 472 H CB 2.007 31.767 29.762 -0.002 0.000 1.637 472 H HN 0.279 nan 8.280 nan 0.000 0.531 473 P HA 0.296 nan 4.420 nan 0.000 0.284 473 P C -1.489 175.727 177.300 -0.139 0.000 1.459 473 P CA -0.650 62.157 63.100 -0.489 0.000 0.982 473 P CB 0.836 32.053 31.700 -0.806 0.000 1.184 474 V N 0.703 120.603 119.914 -0.024 0.000 2.962 474 V HA 0.331 4.450 4.120 -0.001 0.000 0.313 474 V C 1.191 177.270 176.094 -0.024 0.000 1.099 474 V CA -0.573 61.715 62.300 -0.019 0.000 0.971 474 V CB 1.233 33.057 31.823 0.001 0.000 1.028 474 V HN 0.467 nan 8.190 nan 0.000 0.430 475 C N 2.570 121.845 119.300 -0.041 0.000 2.376 475 C HA -0.138 4.322 4.460 -0.001 0.000 0.275 475 C C 3.091 177.965 174.990 -0.194 0.000 1.200 475 C CA 2.217 61.148 59.018 -0.144 0.000 1.756 475 C CB -1.650 26.084 27.740 -0.011 0.000 2.050 475 C HN 1.218 nan 8.230 nan 0.000 0.460 476 A N 1.197 124.030 122.820 0.021 0.000 2.042 476 A HA -0.284 4.035 4.320 -0.001 0.000 0.222 476 A C 2.034 179.746 177.584 0.213 0.000 1.167 476 A CA 2.214 54.376 52.037 0.209 0.000 0.649 476 A CB -0.823 18.327 19.000 0.250 0.000 0.809 476 A HN 0.877 nan 8.150 nan 0.000 0.457 477 E N -0.233 120.011 120.200 0.073 0.000 2.130 477 E HA -0.189 4.160 4.350 -0.001 0.000 0.196 477 E C 1.662 178.255 176.600 -0.012 0.000 0.998 477 E CA 1.443 57.883 56.400 0.066 0.000 0.806 477 E CB -0.817 28.917 29.700 0.058 0.000 0.738 477 E HN 0.300 nan 8.360 nan 0.000 0.459 478 V N 0.349 120.148 119.914 -0.190 0.000 2.428 478 V HA -0.283 3.836 4.120 -0.001 0.000 0.255 478 V C 1.723 177.618 176.094 -0.331 0.000 1.080 478 V CA 2.006 64.104 62.300 -0.336 0.000 1.083 478 V CB -0.628 30.780 31.823 -0.691 0.000 0.665 478 V HN 0.385 nan 8.190 nan 0.000 0.461 479 F N 0.888 120.749 119.950 -0.148 0.000 2.699 479 F HA -0.021 4.505 4.527 -0.001 0.000 0.298 479 F C 2.342 178.091 175.800 -0.086 0.000 1.154 479 F CA 1.391 59.297 58.000 -0.157 0.000 1.457 479 F CB -0.598 38.239 39.000 -0.272 0.000 1.106 479 F HN 0.410 nan 8.300 nan 0.000 0.585 480 T N -4.809 109.806 114.554 0.102 0.000 3.065 480 T HA 0.005 4.354 4.350 -0.001 0.000 0.252 480 T C 1.221 175.926 174.700 0.009 0.000 1.099 480 T CA 0.918 63.065 62.100 0.077 0.000 1.063 480 T CB -0.463 68.458 68.868 0.089 0.000 0.948 480 T HN 0.195 nan 8.240 nan 0.000 0.506 481 T N 0.257 114.796 114.554 -0.026 0.000 3.415 481 T HA 0.512 4.861 4.350 -0.001 0.000 0.282 481 T C -0.062 174.612 174.700 -0.043 0.000 1.007 481 T CA -0.694 61.385 62.100 -0.036 0.000 0.958 481 T CB -0.756 68.091 68.868 -0.034 0.000 1.171 481 T HN 0.275 nan 8.240 nan 0.000 0.500 482 L N 2.467 123.656 121.223 -0.057 0.000 2.319 482 L HA 0.449 4.788 4.340 -0.001 0.000 0.280 482 L C 1.313 178.229 176.870 0.076 0.000 1.099 482 L CA -0.295 54.535 54.840 -0.017 0.000 0.828 482 L CB 1.086 43.128 42.059 -0.028 0.000 1.150 482 L HN 0.540 nan 8.230 nan 0.000 0.442 483 S N 0.769 116.548 115.700 0.131 0.000 2.628 483 S HA 0.152 4.621 4.470 -0.001 0.000 0.246 483 S C 0.235 174.951 174.600 0.195 0.000 1.062 483 S CA -0.366 57.945 58.200 0.184 0.000 1.028 483 S CB 0.461 63.715 63.200 0.089 0.000 0.985 483 S HN 0.214 nan 8.310 nan 0.000 0.551 484 V N 4.502 124.505 119.914 0.148 0.000 2.385 484 V HA 0.471 4.590 4.120 -0.001 0.000 0.269 484 V C 0.834 176.986 176.094 0.096 0.000 1.043 484 V CA -0.064 62.300 62.300 0.106 0.000 0.906 484 V CB 0.522 32.400 31.823 0.093 0.000 0.995 484 V HN 0.666 nan 8.190 nan 0.000 0.467 485 T N 2.110 116.622 114.554 -0.070 0.000 2.824 485 T HA 0.360 4.710 4.350 -0.001 0.000 0.277 485 T C 0.891 175.506 174.700 -0.142 0.000 0.975 485 T CA -0.557 61.398 62.100 -0.241 0.000 0.966 485 T CB 1.469 70.084 68.868 -0.421 0.000 1.054 485 T HN 0.509 nan 8.240 nan 0.000 0.533 486 K N -0.488 119.742 120.400 -0.284 0.000 2.186 486 K HA 0.064 4.383 4.320 -0.001 0.000 0.202 486 K C 2.555 179.075 176.600 -0.133 0.000 1.052 486 K CA 0.359 56.492 56.287 -0.258 0.000 0.965 486 K CB -0.084 32.201 32.500 -0.358 0.000 0.746 486 K HN 0.606 nan 8.250 nan 0.000 0.457 487 R N 1.309 121.722 120.500 -0.146 0.000 2.081 487 R HA -0.132 4.207 4.340 -0.001 0.000 0.235 487 R C 2.216 178.477 176.300 -0.065 0.000 1.131 487 R CA 2.166 58.207 56.100 -0.097 0.000 0.960 487 R CB -0.245 29.992 30.300 -0.105 0.000 0.856 487 R HN 0.151 nan 8.270 nan 0.000 0.436 488 S N -1.246 114.414 115.700 -0.067 0.000 2.419 488 S HA 0.015 4.484 4.470 -0.001 0.000 0.233 488 S C 1.653 176.248 174.600 -0.010 0.000 1.016 488 S CA 0.996 59.176 58.200 -0.035 0.000 0.974 488 S CB -0.288 62.893 63.200 -0.031 0.000 0.786 488 S HN 0.700 nan 8.310 nan 0.000 0.492 489 G N 0.864 109.665 108.800 0.001 0.000 2.176 489 G HA2 -0.106 3.854 3.960 -0.001 0.000 0.253 489 G HA3 -0.106 3.854 3.960 -0.001 0.000 0.253 489 G C 0.283 175.208 174.900 0.042 0.000 0.979 489 G CA 0.121 45.233 45.100 0.021 0.000 0.641 489 G HN 1.404 nan 8.290 nan 0.000 0.530 490 A N 0.274 123.122 122.820 0.047 0.000 2.498 490 A HA 0.653 4.972 4.320 -0.001 0.000 0.239 490 A C 1.017 178.646 177.584 0.075 0.000 1.068 490 A CA 1.252 53.320 52.037 0.051 0.000 0.766 490 A CB 0.489 19.516 19.000 0.045 0.000 1.003 490 A HN 1.721 nan 8.150 nan 0.000 0.497 491 S N 0.212 115.947 115.700 0.057 0.000 2.593 491 S HA 0.389 4.858 4.470 -0.001 0.000 0.269 491 S C 0.726 175.362 174.600 0.059 0.000 1.334 491 S CA 0.291 58.528 58.200 0.063 0.000 1.015 491 S CB -0.024 63.200 63.200 0.040 0.000 0.912 491 S HN 1.072 nan 8.310 nan 0.000 0.541 492 I N 0.327 120.943 120.570 0.076 0.000 4.310 492 I HA 0.364 4.533 4.170 -0.001 0.000 0.328 492 I C -0.722 175.517 176.117 0.202 0.000 1.406 492 I CA -0.569 60.776 61.300 0.074 0.000 1.174 492 I CB 0.055 37.989 38.000 -0.111 0.000 1.279 492 I HN 0.306 nan 8.210 nan 0.000 0.471 493 L N 0.000 121.293 121.223 0.117 0.000 2.949 493 L HA 0.000 4.339 4.340 -0.001 0.000 0.249 493 L CA 0.000 54.814 54.840 -0.043 0.000 0.813 493 L CB 0.000 41.990 42.059 -0.115 0.000 0.961 493 L HN 0.000 nan 8.230 nan 0.000 0.502