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 2j3n_1_C DATA FIRST_RESID 10 DATA SEQUENCE SYDYDLIIIG GGSGGLAAAK EAAQYGKKVM VLDFVTPTPL GTRWGLGGTc DATA SEQUENCE VNVGcIPKKL MHQAALLGQA LQDSRNYGWK VEETVKHDWD RMIEAVQNHI DATA SEQUENCE GSLNWGYRVA LREKKVVYEN AYGQFIGPHR IKATNNKGKE KIYSAERFLI DATA SEQUENCE ATGERPRYLG IPGDKEYCIS SDDLFSLPYC PGKTLVVGAS YVALECAGFL DATA SEQUENCE AGIGLDVTVM VRSILLRGFD QDMANKIGEH MEEHGIKFIR QFVPIKVEQI DATA SEQUENCE EAGTPGRLRV VAQSTNSEEI IEGEYNTVML AIGRDACTRK IGLETVGVKI DATA SEQUENCE NEKTGKIPVT DEEQTNVPYI YAIGDILEDK VELTPVAIQA GRLLAQRLYA DATA SEQUENCE GSTVKCDYEN VPTTVFTPLE YGACGLSEEK AVEKFGEENI EVYHSYFWPL DATA SEQUENCE EWTIPSRDNN KCYAKIICNT KDNERVVGFH VLGPNAGEVT QGFAAALKCG DATA SEQUENCE LTKKQLDSTI GIHPVCAEVF TTLSVTKRSG ASILQAGCCG 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 0.000 174.434 174.600 -0.277 0.000 1.055 10 S CA 0.000 58.054 58.200 -0.244 0.000 1.107 10 S CB 0.000 63.115 63.200 -0.142 0.000 0.593 11 Y N 2.469 122.784 120.300 0.025 0.000 2.429 11 Y HA 0.433 4.984 4.550 0.001 0.000 0.342 11 Y C 1.297 177.207 175.900 0.017 0.000 1.004 11 Y CA -1.008 57.127 58.100 0.059 0.000 1.075 11 Y CB 1.149 39.673 38.460 0.107 0.000 1.214 11 Y HN 0.529 nan 8.280 nan 0.000 0.455 12 D N 1.018 121.547 120.400 0.216 0.000 2.084 12 D HA -0.169 4.471 4.640 0.001 0.000 0.194 12 D C -0.403 175.748 176.300 -0.249 0.000 0.990 12 D CA 2.078 56.064 54.000 -0.023 0.000 0.826 12 D CB -0.002 40.851 40.800 0.089 0.000 0.971 12 D HN 0.399 nan 8.370 nan 0.000 0.453 13 Y N -0.230 120.144 120.300 0.125 0.000 2.536 13 Y HA 0.184 4.735 4.550 0.001 0.000 0.347 13 Y C 0.987 176.877 175.900 -0.018 0.000 1.000 13 Y CA -1.037 57.076 58.100 0.022 0.000 1.051 13 Y CB 1.621 40.044 38.460 -0.062 0.000 1.259 13 Y HN -0.331 nan 8.280 nan 0.000 0.468 14 D N 0.571 121.060 120.400 0.149 0.000 2.077 14 D HA -0.091 4.550 4.640 0.001 0.000 0.193 14 D C -0.348 175.950 176.300 -0.004 0.000 0.989 14 D CA 1.771 55.803 54.000 0.054 0.000 0.831 14 D CB 0.193 40.981 40.800 -0.020 0.000 0.979 14 D HN 0.284 nan 8.370 nan 0.000 0.449 15 L N 0.452 121.647 121.223 -0.046 0.000 2.406 15 L HA 0.425 4.765 4.340 0.001 0.000 0.272 15 L C -1.311 175.410 176.870 -0.248 0.000 0.980 15 L CA -0.370 54.401 54.840 -0.115 0.000 0.831 15 L CB 1.787 43.855 42.059 0.014 0.000 1.253 15 L HN -0.151 nan 8.230 nan 0.000 0.406 16 I N 6.181 126.466 120.570 -0.475 0.000 2.339 16 I HA 0.411 4.581 4.170 0.001 0.000 0.290 16 I C -0.491 175.453 176.117 -0.288 0.000 0.994 16 I CA -0.442 60.568 61.300 -0.483 0.000 1.191 16 I CB 1.512 39.109 38.000 -0.672 0.000 1.343 16 I HN 0.531 nan 8.210 nan 0.000 0.458 17 I N 7.264 127.718 120.570 -0.193 0.000 2.336 17 I HA 0.359 4.530 4.170 0.001 0.000 0.292 17 I C -0.159 175.905 176.117 -0.088 0.000 0.991 17 I CA -0.530 60.715 61.300 -0.092 0.000 1.227 17 I CB 1.409 39.364 38.000 -0.074 0.000 1.366 17 I HN 0.372 nan 8.210 nan 0.000 0.466 18 I N 5.971 126.510 120.570 -0.053 0.000 2.297 18 I HA 0.509 4.679 4.170 0.001 0.000 0.291 18 I C 0.539 176.614 176.117 -0.069 0.000 1.033 18 I CA -0.136 61.111 61.300 -0.088 0.000 1.253 18 I CB 0.886 38.812 38.000 -0.123 0.000 1.396 18 I HN 0.837 nan 8.210 nan 0.000 0.476 19 G N 3.739 112.497 108.800 -0.070 0.000 3.367 19 G HA2 0.005 3.965 3.960 0.001 0.000 0.686 19 G HA3 0.005 3.965 3.960 0.001 0.000 0.686 19 G C -0.085 174.785 174.900 -0.049 0.000 1.146 19 G CA -0.542 44.529 45.100 -0.047 0.000 0.913 19 G HN 0.985 nan 8.290 nan 0.000 0.554 20 G N 0.890 109.658 108.800 -0.055 0.000 4.420 20 G HA2 0.693 4.653 3.960 0.001 0.000 0.299 20 G HA3 0.693 4.653 3.960 0.001 0.000 0.299 20 G C 0.797 175.597 174.900 -0.166 0.000 1.343 20 G CA 0.836 45.864 45.100 -0.119 0.000 1.272 20 G HN 1.266 nan 8.290 nan 0.000 0.610 21 G N 0.058 108.786 108.800 -0.120 0.000 2.940 21 G HA2 0.381 4.342 3.960 0.001 0.000 0.164 21 G HA3 0.381 4.342 3.960 0.001 0.000 0.164 21 G C 1.233 176.041 174.900 -0.153 0.000 1.326 21 G CA 0.356 45.373 45.100 -0.138 0.000 1.020 21 G HN 0.172 nan 8.290 nan 0.000 0.586 22 S N -0.238 115.399 115.700 -0.104 0.000 2.359 22 S HA -0.124 4.346 4.470 0.001 0.000 0.224 22 S C 2.374 176.949 174.600 -0.042 0.000 1.035 22 S CA 1.918 60.075 58.200 -0.071 0.000 1.018 22 S CB -0.677 62.503 63.200 -0.034 0.000 0.876 22 S HN 0.741 nan 8.310 nan 0.000 0.448 23 G N 0.876 109.661 108.800 -0.024 0.000 2.425 23 G HA2 0.094 4.055 3.960 0.001 0.000 0.213 23 G HA3 0.094 4.055 3.960 0.001 0.000 0.213 23 G C 1.496 176.386 174.900 -0.016 0.000 1.201 23 G CA 0.774 45.870 45.100 -0.008 0.000 0.799 23 G HN 0.559 nan 8.290 nan 0.000 0.534 24 G N 1.298 110.082 108.800 -0.028 0.000 2.599 24 G HA2 -0.288 3.672 3.960 0.001 0.000 0.219 24 G HA3 -0.288 3.672 3.960 0.001 0.000 0.219 24 G C 1.828 176.700 174.900 -0.047 0.000 1.193 24 G CA 1.117 46.195 45.100 -0.038 0.000 0.778 24 G HN 0.399 nan 8.290 nan 0.000 0.589 25 L N 0.632 121.811 121.223 -0.074 0.000 2.083 25 L HA -0.076 4.265 4.340 0.001 0.000 0.209 25 L C 3.441 180.306 176.870 -0.007 0.000 1.083 25 L CA 1.030 55.835 54.840 -0.058 0.000 0.752 25 L CB -0.521 41.474 42.059 -0.106 0.000 0.899 25 L HN 0.348 nan 8.230 nan 0.000 0.433 26 A N 0.139 122.957 122.820 -0.003 0.000 1.902 26 A HA -0.137 4.184 4.320 0.001 0.000 0.217 26 A C 2.563 180.155 177.584 0.013 0.000 1.181 26 A CA 1.686 53.731 52.037 0.013 0.000 0.623 26 A CB -0.629 18.375 19.000 0.008 0.000 0.818 26 A HN 0.391 nan 8.150 nan 0.000 0.443 27 A N -0.003 122.822 122.820 0.009 0.000 1.858 27 A HA 0.152 4.472 4.320 0.001 0.000 0.216 27 A C 2.555 180.155 177.584 0.027 0.000 1.190 27 A CA 2.282 54.331 52.037 0.021 0.000 0.617 27 A CB -1.226 17.782 19.000 0.013 0.000 0.827 27 A HN 1.084 nan 8.150 nan 0.000 0.443 28 A N -0.169 122.651 122.820 -0.000 0.000 1.859 28 A HA -0.243 4.077 4.320 0.001 0.000 0.217 28 A C 2.130 179.708 177.584 -0.010 0.000 1.198 28 A CA 2.114 54.142 52.037 -0.016 0.000 0.629 28 A CB -0.627 18.349 19.000 -0.040 0.000 0.830 28 A HN 0.534 nan 8.150 nan 0.000 0.446 29 K N -0.876 119.520 120.400 -0.007 0.000 2.103 29 K HA -0.158 4.162 4.320 0.001 0.000 0.207 29 K C 2.099 178.685 176.600 -0.023 0.000 1.048 29 K CA 1.428 57.705 56.287 -0.016 0.000 0.930 29 K CB -0.095 32.401 32.500 -0.008 0.000 0.716 29 K HN 0.442 nan 8.250 nan 0.000 0.444 30 E N 0.313 120.520 120.200 0.012 0.000 2.028 30 E HA -0.110 4.240 4.350 0.001 0.000 0.190 30 E C 2.058 178.731 176.600 0.122 0.000 0.984 30 E CA 1.076 57.504 56.400 0.046 0.000 0.800 30 E CB -0.178 29.579 29.700 0.095 0.000 0.758 30 E HN 0.272 nan 8.360 nan 0.000 0.448 31 A N 1.533 124.448 122.820 0.158 0.000 1.940 31 A HA -0.157 4.163 4.320 0.001 0.000 0.219 31 A C 2.404 180.016 177.584 0.046 0.000 1.176 31 A CA 2.171 54.331 52.037 0.204 0.000 0.631 31 A CB -0.593 18.485 19.000 0.130 0.000 0.814 31 A HN 0.274 nan 8.150 nan 0.000 0.446 32 A N -0.923 121.885 122.820 -0.020 0.000 1.883 32 A HA -0.248 4.073 4.320 0.001 0.000 0.217 32 A C 2.067 179.581 177.584 -0.117 0.000 1.186 32 A CA 2.132 54.131 52.037 -0.064 0.000 0.624 32 A CB -0.634 18.332 19.000 -0.057 0.000 0.822 32 A HN 0.506 nan 8.150 nan 0.000 0.444 33 Q N -1.407 118.264 119.800 -0.215 0.000 2.528 33 Q HA -0.172 4.169 4.340 0.001 0.000 0.217 33 Q C -0.279 175.375 176.000 -0.577 0.000 0.988 33 Q CA 1.335 56.888 55.803 -0.417 0.000 0.900 33 Q CB -0.547 27.845 28.738 -0.578 0.000 0.947 33 Q HN 0.764 nan 8.270 nan 0.000 0.502 34 Y N -1.452 118.833 120.300 -0.024 0.000 2.669 34 Y HA 0.416 4.966 4.550 0.001 0.000 0.302 34 Y C 1.027 176.886 175.900 -0.068 0.000 1.000 34 Y CA -0.599 57.486 58.100 -0.025 0.000 1.222 34 Y CB 0.486 38.955 38.460 0.016 0.000 1.209 34 Y HN 0.042 nan 8.280 nan 0.000 0.571 35 G N 1.218 110.023 108.800 0.009 0.000 2.395 35 G HA2 -0.280 3.681 3.960 0.001 0.000 0.300 35 G HA3 -0.280 3.681 3.960 0.001 0.000 0.300 35 G C 0.107 174.978 174.900 -0.049 0.000 0.998 35 G CA 0.120 45.212 45.100 -0.012 0.000 1.046 35 G HN 0.082 nan 8.290 nan 0.000 0.513 36 K N -0.439 119.901 120.400 -0.100 0.000 2.123 36 K HA 0.381 4.701 4.320 0.001 0.000 0.259 36 K C 0.491 177.043 176.600 -0.081 0.000 0.960 36 K CA -1.073 55.109 56.287 -0.174 0.000 0.872 36 K CB 1.602 33.860 32.500 -0.403 0.000 1.079 36 K HN 0.229 nan 8.250 nan 0.000 0.440 37 K N 2.286 122.667 120.400 -0.032 0.000 2.518 37 K HA 0.094 4.415 4.320 0.001 0.000 0.244 37 K C -0.155 176.512 176.600 0.111 0.000 1.232 37 K CA -0.321 56.013 56.287 0.078 0.000 1.189 37 K CB -0.132 32.439 32.500 0.118 0.000 1.737 37 K HN 0.375 nan 8.250 nan 0.000 0.333 38 V N 2.690 122.594 119.914 -0.016 0.000 2.686 38 V HA 0.513 4.634 4.120 0.001 0.000 0.295 38 V C -0.557 175.390 176.094 -0.245 0.000 1.057 38 V CA -0.635 61.597 62.300 -0.114 0.000 1.012 38 V CB 1.286 33.047 31.823 -0.103 0.000 1.006 38 V HN 0.730 nan 8.190 nan 0.000 0.477 39 M N 6.074 125.399 119.600 -0.458 0.000 2.393 39 M HA 0.706 5.186 4.480 0.001 0.000 0.299 39 M C -1.994 174.083 176.300 -0.372 0.000 1.103 39 M CA -0.530 54.415 55.300 -0.592 0.000 0.910 39 M CB 2.168 33.982 32.600 -1.310 0.000 1.659 39 M HN 0.553 nan 8.290 nan 0.000 0.445 40 V N 5.419 125.203 119.914 -0.218 0.000 2.483 40 V HA 0.523 4.644 4.120 0.001 0.000 0.295 40 V C -0.596 175.463 176.094 -0.058 0.000 1.035 40 V CA -0.652 61.584 62.300 -0.106 0.000 0.896 40 V CB 1.872 33.681 31.823 -0.024 0.000 0.986 40 V HN 0.808 nan 8.190 nan 0.000 0.447 41 L N 4.252 125.432 121.223 -0.071 0.000 2.316 41 L HA 0.577 4.918 4.340 0.001 0.000 0.280 41 L C -0.983 175.899 176.870 0.020 0.000 1.006 41 L CA -0.244 54.567 54.840 -0.050 0.000 0.836 41 L CB 1.706 43.701 42.059 -0.107 0.000 1.221 41 L HN 0.649 nan 8.230 nan 0.000 0.418 42 D N 2.755 123.232 120.400 0.129 0.000 2.575 42 D HA 0.637 5.278 4.640 0.001 0.000 0.236 42 D C -1.598 174.809 176.300 0.180 0.000 1.075 42 D CA -0.121 53.961 54.000 0.138 0.000 0.860 42 D CB 2.225 43.118 40.800 0.154 0.000 1.475 42 D HN 0.277 nan 8.370 nan 0.000 0.474 43 F N 2.752 122.700 119.950 -0.003 0.000 2.639 43 F HA 0.309 4.836 4.527 0.001 0.000 0.326 43 F C -1.607 174.180 175.800 -0.023 0.000 1.150 43 F CA -0.790 57.215 58.000 0.007 0.000 1.057 43 F CB 1.260 40.307 39.000 0.079 0.000 1.300 43 F HN 0.136 nan 8.300 nan 0.000 0.486 44 V N 4.565 124.613 119.914 0.223 0.000 2.284 44 V HA 0.159 4.280 4.120 0.001 0.000 0.260 44 V C 0.026 176.197 176.094 0.129 0.000 1.084 44 V CA -0.461 61.833 62.300 -0.011 0.000 0.894 44 V CB 0.660 32.096 31.823 -0.644 0.000 1.119 44 V HN 0.765 nan 8.190 nan 0.000 0.484 45 T N 4.903 119.611 114.554 0.256 0.000 2.831 45 T HA 0.157 4.508 4.350 0.001 0.000 0.291 45 T C -2.131 172.562 174.700 -0.011 0.000 0.981 45 T CA -0.945 61.234 62.100 0.132 0.000 1.174 45 T CB 0.047 68.937 68.868 0.036 0.000 0.929 45 T HN 0.356 nan 8.240 nan 0.000 0.532 46 P HA 0.071 nan 4.420 nan 0.000 0.266 46 P C 0.777 178.077 177.300 -0.000 0.000 1.193 46 P CA -0.104 62.958 63.100 -0.063 0.000 0.770 46 P CB 0.251 31.945 31.700 -0.011 0.000 0.836 47 T N 0.353 114.934 114.554 0.045 0.000 2.813 47 T HA 0.157 4.508 4.350 0.001 0.000 0.297 47 T C -1.702 173.053 174.700 0.092 0.000 1.036 47 T CA -1.365 60.816 62.100 0.134 0.000 1.044 47 T CB -0.202 68.800 68.868 0.224 0.000 0.993 47 T HN 0.196 nan 8.240 nan 0.000 0.535 48 P HA -0.051 nan 4.420 nan 0.000 0.217 48 P C 0.946 178.258 177.300 0.022 0.000 1.148 48 P CA 0.787 63.894 63.100 0.011 0.000 0.834 48 P CB 0.013 31.678 31.700 -0.058 0.000 0.783 49 L N -3.137 118.129 121.223 0.073 0.000 2.667 49 L HA 0.337 4.678 4.340 0.001 0.000 0.232 49 L C 1.774 178.692 176.870 0.079 0.000 1.138 49 L CA 1.133 56.017 54.840 0.072 0.000 0.921 49 L CB -0.984 41.139 42.059 0.106 0.000 1.180 49 L HN 0.173 nan 8.230 nan 0.000 0.487 50 G N -0.382 108.461 108.800 0.071 0.000 3.211 50 G HA2 -0.277 3.684 3.960 0.001 0.000 0.206 50 G HA3 -0.277 3.684 3.960 0.001 0.000 0.206 50 G C 0.664 175.607 174.900 0.071 0.000 1.418 50 G CA 0.073 45.210 45.100 0.062 0.000 0.958 50 G HN 0.186 nan 8.290 nan 0.000 0.567 51 T N 3.395 118.024 114.554 0.125 0.000 2.647 51 T HA 0.273 4.624 4.350 0.001 0.000 0.238 51 T C 0.629 175.391 174.700 0.104 0.000 1.019 51 T CA 1.700 63.907 62.100 0.179 0.000 1.151 51 T CB -0.196 68.840 68.868 0.281 0.000 1.026 51 T HN 0.946 nan 8.240 nan 0.000 0.463 52 R N 2.037 122.576 120.500 0.064 0.000 2.817 52 R HA 0.802 5.142 4.340 0.001 0.000 0.268 52 R C -1.391 174.917 176.300 0.013 0.000 1.027 52 R CA -1.328 54.614 56.100 -0.263 0.000 0.928 52 R CB 1.479 31.632 30.300 -0.246 0.000 1.228 52 R HN 0.649 nan 8.270 nan 0.000 0.469 53 W N -1.039 120.279 121.300 0.031 0.000 2.940 53 W HA 0.749 5.410 4.660 0.001 0.000 0.394 53 W C -0.784 175.710 176.519 -0.041 0.000 1.155 53 W CA -1.059 56.289 57.345 0.005 0.000 1.165 53 W CB 0.071 29.545 29.460 0.023 0.000 1.492 53 W HN 0.834 nan 8.180 nan 0.000 0.593 54 G N 0.730 109.671 108.800 0.234 0.000 2.537 54 G HA2 0.466 4.426 3.960 0.001 0.000 0.297 54 G HA3 0.466 4.426 3.960 0.001 0.000 0.297 54 G C -0.815 174.123 174.900 0.064 0.000 1.310 54 G CA -1.160 43.968 45.100 0.047 0.000 1.027 54 G HN 0.816 nan 8.290 nan 0.000 0.505 55 L N -0.252 120.915 121.223 -0.092 0.000 2.529 55 L HA 0.318 4.659 4.340 0.001 0.000 0.287 55 L C 1.457 178.216 176.870 -0.185 0.000 1.241 55 L CA 1.929 56.658 54.840 -0.184 0.000 0.857 55 L CB 0.809 42.626 42.059 -0.403 0.000 1.113 55 L HN 1.013 nan 8.230 nan 0.000 0.504 56 G N 1.639 110.265 108.800 -0.291 0.000 2.551 56 G HA2 0.089 4.050 3.960 0.001 0.000 0.186 56 G HA3 0.089 4.050 3.960 0.001 0.000 0.186 56 G C 0.487 175.212 174.900 -0.291 0.000 1.002 56 G CA -0.071 44.760 45.100 -0.448 0.000 0.723 56 G HN 1.602 nan 8.290 nan 0.000 0.481 57 G N -0.984 107.755 108.800 -0.102 0.000 2.725 57 G HA2 0.099 4.060 3.960 0.001 0.000 0.220 57 G HA3 0.099 4.060 3.960 0.001 0.000 0.220 57 G C 0.829 175.711 174.900 -0.030 0.000 1.357 57 G CA 0.596 45.679 45.100 -0.028 0.000 0.866 57 G HN 1.164 nan 8.290 nan 0.000 0.548 58 T N -0.512 114.035 114.554 -0.011 0.000 2.708 58 T HA -0.220 4.130 4.350 0.001 0.000 0.266 58 T C 2.524 177.139 174.700 -0.141 0.000 1.037 58 T CA 2.651 64.713 62.100 -0.065 0.000 1.146 58 T CB -0.675 68.203 68.868 0.016 0.000 0.865 58 T HN 1.211 nan 8.240 nan 0.000 0.435 59 c N 1.480 120.023 118.600 -0.097 0.000 2.413 59 c HA -0.076 4.494 4.570 0.001 0.000 0.276 59 c C 2.772 176.770 174.090 -0.153 0.000 1.236 59 c CA 0.765 57.031 56.329 -0.106 0.000 1.735 59 c CB -1.292 41.182 42.510 -0.060 0.000 2.031 59 c HN 0.398 nan 8.230 nan 0.000 0.474 60 V N 2.092 121.921 119.914 -0.142 0.000 2.270 60 V HA -0.178 3.943 4.120 0.001 0.000 0.245 60 V C 2.315 178.304 176.094 -0.175 0.000 1.043 60 V CA 2.492 64.724 62.300 -0.113 0.000 1.014 60 V CB -0.744 31.025 31.823 -0.090 0.000 0.645 60 V HN 0.606 nan 8.190 nan 0.000 0.447 61 N N 0.454 118.989 118.700 -0.274 0.000 2.336 61 N HA -0.009 4.732 4.740 0.001 0.000 0.177 61 N C 1.099 176.309 175.510 -0.499 0.000 1.018 61 N CA 1.701 54.512 53.050 -0.398 0.000 0.878 61 N CB 0.688 38.785 38.487 -0.651 0.000 0.997 61 N HN 0.563 nan 8.380 nan 0.000 0.433 62 V N -3.043 116.552 119.914 -0.531 0.000 2.967 62 V HA 0.648 4.769 4.120 0.001 0.000 0.364 62 V C 0.440 176.392 176.094 -0.237 0.000 1.373 62 V CA -0.404 61.698 62.300 -0.330 0.000 1.193 62 V CB 0.516 32.109 31.823 -0.384 0.000 1.236 62 V HN 0.140 nan 8.190 nan 0.000 0.582 63 G N -0.095 108.483 108.800 -0.369 0.000 3.359 63 G HA2 0.223 4.184 3.960 0.001 0.000 0.187 63 G HA3 0.223 4.184 3.960 0.001 0.000 0.187 63 G C 0.985 175.730 174.900 -0.258 0.000 1.294 63 G CA 0.649 45.627 45.100 -0.204 0.000 0.769 63 G HN 0.288 nan 8.290 nan 0.000 0.733 64 c N 1.073 119.590 118.600 -0.138 0.000 2.376 64 c HA -0.076 4.494 4.570 0.001 0.000 0.275 64 c C 2.781 176.726 174.090 -0.242 0.000 1.200 64 c CA 0.597 56.842 56.329 -0.141 0.000 1.756 64 c CB -1.364 41.091 42.510 -0.092 0.000 2.050 64 c HN 0.414 nan 8.230 nan 0.000 0.460 65 I N 2.682 123.107 120.570 -0.241 0.000 2.076 65 I HA -0.118 4.052 4.170 0.001 0.000 0.237 65 I C 0.277 176.184 176.117 -0.351 0.000 1.059 65 I CA 1.792 62.943 61.300 -0.248 0.000 1.317 65 I CB -2.915 34.998 38.000 -0.145 0.000 1.037 65 I HN 0.240 nan 8.210 nan 0.000 0.398 66 P HA -0.206 nan 4.420 nan 0.000 0.216 66 P C 1.696 178.635 177.300 -0.602 0.000 1.153 66 P CA 1.636 64.374 63.100 -0.603 0.000 0.848 66 P CB -0.113 31.018 31.700 -0.949 0.000 0.787 67 K N 1.195 121.198 120.400 -0.661 0.000 1.991 67 K HA -0.208 4.113 4.320 0.001 0.000 0.212 67 K C 2.209 178.709 176.600 -0.168 0.000 1.049 67 K CA 2.088 58.254 56.287 -0.203 0.000 0.932 67 K CB -0.708 31.779 32.500 -0.022 0.000 0.717 67 K HN -0.127 nan 8.250 nan 0.000 0.441 68 K N 1.041 121.289 120.400 -0.253 0.000 2.063 68 K HA -0.065 4.256 4.320 0.001 0.000 0.208 68 K C 2.320 178.788 176.600 -0.220 0.000 1.048 68 K CA 1.254 57.368 56.287 -0.288 0.000 0.928 68 K CB -0.354 31.879 32.500 -0.446 0.000 0.713 68 K HN 0.235 nan 8.250 nan 0.000 0.442 69 L N -0.140 120.914 121.223 -0.281 0.000 2.012 69 L HA -0.200 4.140 4.340 0.001 0.000 0.210 69 L C 2.552 179.252 176.870 -0.284 0.000 1.073 69 L CA 1.703 56.377 54.840 -0.278 0.000 0.748 69 L CB -0.359 41.520 42.059 -0.300 0.000 0.891 69 L HN 0.299 nan 8.230 nan 0.000 0.431 70 M N -1.432 117.928 119.600 -0.399 0.000 2.175 70 M HA -0.223 4.258 4.480 0.001 0.000 0.264 70 M C 2.320 178.375 176.300 -0.408 0.000 1.063 70 M CA 1.462 56.426 55.300 -0.559 0.000 1.119 70 M CB -0.707 31.221 32.600 -1.119 0.000 1.377 70 M HN 0.288 nan 8.290 nan 0.000 0.415 71 H N 0.447 119.319 119.070 -0.331 0.000 2.456 71 H HA -0.191 4.366 4.556 0.001 0.000 0.296 71 H C 1.971 177.286 175.328 -0.020 0.000 1.079 71 H CA 1.970 58.008 56.048 -0.016 0.000 1.322 71 H CB -0.052 29.767 29.762 0.095 0.000 1.388 71 H HN 0.311 nan 8.280 nan 0.000 0.538 72 Q N 0.228 119.880 119.800 -0.247 0.000 2.230 72 Q HA 0.060 4.401 4.340 0.001 0.000 0.202 72 Q C 2.276 178.173 176.000 -0.172 0.000 0.963 72 Q CA 1.417 57.074 55.803 -0.243 0.000 0.866 72 Q CB -0.513 28.116 28.738 -0.181 0.000 0.931 72 Q HN 0.527 nan 8.270 nan 0.000 0.452 73 A N 0.323 123.052 122.820 -0.153 0.000 1.898 73 A HA 0.015 4.336 4.320 0.001 0.000 0.216 73 A C 2.290 179.828 177.584 -0.078 0.000 1.181 73 A CA 1.688 53.671 52.037 -0.091 0.000 0.620 73 A CB -1.135 17.807 19.000 -0.097 0.000 0.819 73 A HN 0.513 nan 8.150 nan 0.000 0.442 74 A N -0.240 122.535 122.820 -0.075 0.000 1.902 74 A HA -0.021 4.300 4.320 0.001 0.000 0.217 74 A C 2.189 179.751 177.584 -0.037 0.000 1.181 74 A CA 1.437 53.465 52.037 -0.015 0.000 0.623 74 A CB -0.603 18.458 19.000 0.102 0.000 0.818 74 A HN 0.461 nan 8.150 nan 0.000 0.443 75 L N -1.028 120.127 121.223 -0.113 0.000 2.017 75 L HA -0.183 4.158 4.340 0.001 0.000 0.208 75 L C 2.510 179.356 176.870 -0.040 0.000 1.073 75 L CA 0.831 55.617 54.840 -0.090 0.000 0.745 75 L CB -0.548 41.410 42.059 -0.168 0.000 0.894 75 L HN 0.293 nan 8.230 nan 0.000 0.432 76 L N 0.277 121.469 121.223 -0.052 0.000 2.043 76 L HA -0.160 4.180 4.340 0.001 0.000 0.212 76 L C 2.583 179.450 176.870 -0.004 0.000 1.075 76 L CA 2.132 56.954 54.840 -0.030 0.000 0.752 76 L CB -1.808 40.230 42.059 -0.035 0.000 0.891 76 L HN 0.242 nan 8.230 nan 0.000 0.432 77 G N -1.401 107.403 108.800 0.006 0.000 2.491 77 G HA2 -0.397 3.564 3.960 0.001 0.000 0.218 77 G HA3 -0.397 3.564 3.960 0.001 0.000 0.218 77 G C 1.474 176.389 174.900 0.026 0.000 1.180 77 G CA 0.986 46.102 45.100 0.027 0.000 0.774 77 G HN 0.446 nan 8.290 nan 0.000 0.562 78 Q N 0.914 120.725 119.800 0.018 0.000 2.152 78 Q HA 0.009 4.350 4.340 0.001 0.000 0.206 78 Q C 2.552 178.573 176.000 0.035 0.000 0.985 78 Q CA 2.214 58.028 55.803 0.019 0.000 0.863 78 Q CB -0.660 28.081 28.738 0.004 0.000 0.904 78 Q HN 0.406 nan 8.270 nan 0.000 0.422 79 A N 0.108 122.949 122.820 0.035 0.000 1.933 79 A HA -0.112 4.208 4.320 0.001 0.000 0.218 79 A C 2.108 179.723 177.584 0.052 0.000 1.175 79 A CA 1.354 53.421 52.037 0.049 0.000 0.628 79 A CB -0.752 18.260 19.000 0.019 0.000 0.814 79 A HN 0.472 nan 8.150 nan 0.000 0.444 80 L N -0.462 120.780 121.223 0.032 0.000 2.127 80 L HA -0.266 4.074 4.340 0.001 0.000 0.211 80 L C 2.878 179.790 176.870 0.071 0.000 1.089 80 L CA 1.302 56.163 54.840 0.034 0.000 0.757 80 L CB -0.445 41.631 42.059 0.028 0.000 0.899 80 L HN 0.450 nan 8.230 nan 0.000 0.434 81 Q N -0.271 119.571 119.800 0.071 0.000 2.083 81 Q HA -0.169 4.172 4.340 0.001 0.000 0.198 81 Q C 1.714 177.783 176.000 0.115 0.000 0.969 81 Q CA 1.355 57.206 55.803 0.079 0.000 0.838 81 Q CB -0.247 28.525 28.738 0.057 0.000 0.900 81 Q HN 0.585 nan 8.270 nan 0.000 0.436 82 D N 0.523 121.010 120.400 0.145 0.000 2.269 82 D HA -0.047 4.593 4.640 0.001 0.000 0.208 82 D C 1.949 178.454 176.300 0.341 0.000 0.963 82 D CA 0.667 54.807 54.000 0.234 0.000 0.864 82 D CB -0.014 40.962 40.800 0.293 0.000 0.936 82 D HN 0.084 nan 8.370 nan 0.000 0.505 83 S N 1.592 117.464 115.700 0.287 0.000 2.372 83 S HA -0.257 4.214 4.470 0.001 0.000 0.227 83 S C 1.903 176.777 174.600 0.458 0.000 1.044 83 S CA 1.101 59.549 58.200 0.414 0.000 1.050 83 S CB -0.321 63.014 63.200 0.225 0.000 0.901 83 S HN 0.309 nan 8.310 nan 0.000 0.447 84 R N 1.738 122.406 120.500 0.280 0.000 2.103 84 R HA -0.127 4.213 4.340 0.001 0.000 0.234 84 R C 2.248 178.633 176.300 0.142 0.000 1.132 84 R CA 1.964 58.181 56.100 0.195 0.000 0.925 84 R CB -0.751 29.625 30.300 0.126 0.000 0.842 84 R HN 0.496 nan 8.270 nan 0.000 0.430 85 N N -0.462 118.301 118.700 0.104 0.000 2.132 85 N HA -0.222 4.518 4.740 0.001 0.000 0.191 85 N C 1.308 176.772 175.510 -0.076 0.000 1.015 85 N CA 1.510 54.550 53.050 -0.017 0.000 0.864 85 N CB -0.255 38.174 38.487 -0.096 0.000 1.006 85 N HN 0.275 nan 8.380 nan 0.000 0.430 86 Y N -1.064 119.271 120.300 0.057 0.000 2.546 86 Y HA 0.194 4.745 4.550 0.001 0.000 0.287 86 Y C 1.774 177.592 175.900 -0.137 0.000 1.158 86 Y CA 0.596 58.698 58.100 0.003 0.000 1.307 86 Y CB 0.413 38.921 38.460 0.081 0.000 1.036 86 Y HN 0.180 nan 8.280 nan 0.000 0.532 87 G N -2.472 106.317 108.800 -0.018 0.000 2.227 87 G HA2 -0.199 3.761 3.960 0.001 0.000 0.168 87 G HA3 -0.199 3.761 3.960 0.001 0.000 0.168 87 G C -0.237 174.498 174.900 -0.275 0.000 1.006 87 G CA -0.763 44.222 45.100 -0.192 0.000 0.684 87 G HN 0.196 nan 8.290 nan 0.000 0.489 88 W N 0.758 122.106 121.300 0.079 0.000 2.237 88 W HA 0.695 5.356 4.660 0.001 0.000 0.335 88 W C 0.620 177.166 176.519 0.045 0.000 1.230 88 W CA -0.563 56.815 57.345 0.055 0.000 1.253 88 W CB 0.719 30.212 29.460 0.055 0.000 1.129 88 W HN -0.092 nan 8.180 nan 0.000 0.590 89 K N 2.079 122.655 120.400 0.293 0.000 2.778 89 K HA 0.202 4.522 4.320 0.001 0.000 0.238 89 K C -0.563 176.128 176.600 0.151 0.000 1.233 89 K CA -0.250 56.140 56.287 0.171 0.000 1.195 89 K CB -0.392 32.181 32.500 0.121 0.000 1.743 89 K HN 0.294 nan 8.250 nan 0.000 0.418 90 V N -1.859 118.147 119.914 0.154 0.000 2.997 90 V HA 0.447 4.568 4.120 0.001 0.000 0.311 90 V C 0.286 176.427 176.094 0.079 0.000 1.066 90 V CA -1.135 61.227 62.300 0.102 0.000 1.039 90 V CB 1.441 33.318 31.823 0.089 0.000 1.081 90 V HN 0.167 nan 8.190 nan 0.000 0.467 91 E N 1.724 121.960 120.200 0.060 0.000 2.338 91 E HA 0.195 4.546 4.350 0.001 0.000 0.272 91 E C 1.140 177.769 176.600 0.050 0.000 1.029 91 E CA -0.164 56.266 56.400 0.050 0.000 0.872 91 E CB 0.640 30.364 29.700 0.041 0.000 1.015 91 E HN 0.707 nan 8.360 nan 0.000 0.417 92 E N 1.379 121.607 120.200 0.046 0.000 2.172 92 E HA -0.206 4.144 4.350 0.001 0.000 0.213 92 E C 0.074 176.700 176.600 0.043 0.000 1.051 92 E CA 1.678 58.104 56.400 0.043 0.000 0.860 92 E CB -0.486 29.235 29.700 0.035 0.000 0.755 92 E HN 0.440 nan 8.360 nan 0.000 0.462 93 T N 1.313 115.891 114.554 0.041 0.000 2.841 93 T HA 0.546 4.896 4.350 0.001 0.000 0.283 93 T C -0.239 174.488 174.700 0.045 0.000 1.000 93 T CA -0.652 61.474 62.100 0.043 0.000 0.977 93 T CB 2.643 71.535 68.868 0.039 0.000 0.979 93 T HN -0.183 nan 8.240 nan 0.000 0.446 94 V N 2.943 122.888 119.914 0.051 0.000 2.769 94 V HA 0.501 4.622 4.120 0.001 0.000 0.312 94 V C -0.354 175.781 176.094 0.069 0.000 1.061 94 V CA -1.076 61.256 62.300 0.053 0.000 0.931 94 V CB 2.179 34.033 31.823 0.051 0.000 1.010 94 V HN 0.761 nan 8.190 nan 0.000 0.433 95 K N 2.026 122.465 120.400 0.066 0.000 2.138 95 K HA 0.578 4.898 4.320 0.001 0.000 0.263 95 K C -1.005 175.659 176.600 0.106 0.000 0.965 95 K CA -0.752 55.586 56.287 0.085 0.000 0.868 95 K CB 1.711 34.248 32.500 0.061 0.000 1.083 95 K HN 0.794 nan 8.250 nan 0.000 0.443 96 H N 0.669 119.775 119.070 0.060 0.000 2.472 96 H HA 0.160 4.717 4.556 0.001 0.000 0.338 96 H C -1.322 174.063 175.328 0.094 0.000 1.133 96 H CA -0.591 55.498 56.048 0.068 0.000 1.216 96 H CB 1.392 31.205 29.762 0.084 0.000 1.497 96 H HN 0.502 nan 8.280 nan 0.000 0.500 97 D N 5.007 125.151 120.400 -0.425 0.000 2.472 97 D HA -0.047 4.594 4.640 0.001 0.000 0.234 97 D C 0.771 177.003 176.300 -0.113 0.000 1.088 97 D CA -0.649 53.264 54.000 -0.144 0.000 0.882 97 D CB 0.023 40.749 40.800 -0.124 0.000 1.037 97 D HN 0.700 nan 8.370 nan 0.000 0.520 98 W N 4.556 125.894 121.300 0.063 0.000 2.313 98 W HA -0.224 4.437 4.660 0.001 0.000 0.293 98 W C 0.404 176.960 176.519 0.061 0.000 1.216 98 W CA 1.219 58.660 57.345 0.161 0.000 1.223 98 W CB 0.115 29.671 29.460 0.161 0.000 1.138 98 W HN 0.391 nan 8.180 nan 0.000 0.535 99 D N 0.158 120.691 120.400 0.223 0.000 2.078 99 D HA -0.192 4.449 4.640 0.001 0.000 0.193 99 D C 2.281 178.555 176.300 -0.043 0.000 0.990 99 D CA 1.523 55.593 54.000 0.116 0.000 0.827 99 D CB -0.366 40.524 40.800 0.150 0.000 0.975 99 D HN 0.044 nan 8.370 nan 0.000 0.451 100 R N 0.383 120.841 120.500 -0.070 0.000 2.096 100 R HA -0.123 4.218 4.340 0.001 0.000 0.240 100 R C 2.320 178.534 176.300 -0.143 0.000 1.139 100 R CA 0.660 56.700 56.100 -0.099 0.000 0.952 100 R CB -1.064 29.166 30.300 -0.117 0.000 0.854 100 R HN 0.347 nan 8.270 nan 0.000 0.436 101 M N 0.364 119.840 119.600 -0.205 0.000 2.082 101 M HA -0.194 4.287 4.480 0.001 0.000 0.258 101 M C 1.905 178.046 176.300 -0.266 0.000 1.071 101 M CA 1.793 56.966 55.300 -0.212 0.000 1.103 101 M CB -0.147 32.361 32.600 -0.154 0.000 1.307 101 M HN -0.029 nan 8.290 nan 0.000 0.409 102 I N 0.380 120.703 120.570 -0.411 0.000 2.315 102 I HA -0.298 3.873 4.170 0.001 0.000 0.251 102 I C 2.285 178.309 176.117 -0.156 0.000 1.125 102 I CA 1.749 62.838 61.300 -0.352 0.000 1.392 102 I CB -1.898 35.862 38.000 -0.399 0.000 1.065 102 I HN 0.540 nan 8.210 nan 0.000 0.424 103 E N 1.463 121.593 120.200 -0.117 0.000 2.015 103 E HA -0.191 4.160 4.350 0.001 0.000 0.191 103 E C 2.356 178.928 176.600 -0.045 0.000 0.991 103 E CA 1.522 57.892 56.400 -0.050 0.000 0.802 103 E CB -0.037 29.642 29.700 -0.035 0.000 0.759 103 E HN 0.368 nan 8.360 nan 0.000 0.447 104 A N 0.769 123.549 122.820 -0.067 0.000 1.908 104 A HA -0.158 4.163 4.320 0.001 0.000 0.218 104 A C 2.441 179.998 177.584 -0.044 0.000 1.181 104 A CA 1.645 53.651 52.037 -0.052 0.000 0.627 104 A CB -0.818 18.138 19.000 -0.074 0.000 0.818 104 A HN 0.267 nan 8.150 nan 0.000 0.445 105 V N -0.057 119.805 119.914 -0.087 0.000 2.720 105 V HA -0.215 3.906 4.120 0.001 0.000 0.256 105 V C 2.561 178.640 176.094 -0.024 0.000 1.082 105 V CA 1.902 64.150 62.300 -0.087 0.000 1.101 105 V CB -0.568 31.163 31.823 -0.152 0.000 0.693 105 V HN 0.563 nan 8.190 nan 0.000 0.479 106 Q N -0.555 119.239 119.800 -0.010 0.000 2.250 106 Q HA -0.019 4.322 4.340 0.001 0.000 0.200 106 Q C 2.007 178.034 176.000 0.046 0.000 0.941 106 Q CA 0.886 56.705 55.803 0.025 0.000 0.872 106 Q CB -0.234 28.524 28.738 0.034 0.000 0.965 106 Q HN 0.760 nan 8.270 nan 0.000 0.480 107 N N 0.245 118.970 118.700 0.042 0.000 2.039 107 N HA -0.214 4.526 4.740 0.001 0.000 0.193 107 N C 1.759 177.299 175.510 0.050 0.000 1.044 107 N CA 1.161 54.239 53.050 0.046 0.000 0.847 107 N CB -0.296 38.211 38.487 0.033 0.000 1.030 107 N HN 0.269 nan 8.380 nan 0.000 0.422 108 H N 1.065 120.123 119.070 -0.021 0.000 2.289 108 H HA -0.128 4.428 4.556 0.001 0.000 0.294 108 H C 1.967 177.288 175.328 -0.011 0.000 1.095 108 H CA 1.878 57.910 56.048 -0.027 0.000 1.256 108 H CB -0.258 29.469 29.762 -0.058 0.000 1.359 108 H HN 0.191 nan 8.280 nan 0.000 0.487 109 I N -0.242 120.367 120.570 0.065 0.000 2.127 109 I HA -0.264 3.907 4.170 0.001 0.000 0.241 109 I C 2.831 178.947 176.117 -0.001 0.000 1.075 109 I CA 1.380 62.692 61.300 0.020 0.000 1.334 109 I CB -0.763 37.252 38.000 0.024 0.000 1.040 109 I HN 0.524 nan 8.210 nan 0.000 0.405 110 G N -0.345 108.476 108.800 0.035 0.000 2.469 110 G HA2 -0.284 3.676 3.960 0.001 0.000 0.219 110 G HA3 -0.284 3.676 3.960 0.001 0.000 0.219 110 G C 1.768 176.735 174.900 0.113 0.000 1.150 110 G CA 1.124 46.272 45.100 0.081 0.000 0.763 110 G HN 0.348 nan 8.290 nan 0.000 0.561 111 S N 0.104 115.826 115.700 0.036 0.000 2.383 111 S HA -0.022 4.449 4.470 0.001 0.000 0.229 111 S C 2.317 176.900 174.600 -0.028 0.000 1.030 111 S CA 0.912 59.118 58.200 0.010 0.000 1.002 111 S CB -0.192 62.935 63.200 -0.122 0.000 0.829 111 S HN 0.358 nan 8.310 nan 0.000 0.467 112 L N 1.276 122.439 121.223 -0.100 0.000 2.109 112 L HA -0.079 4.261 4.340 0.001 0.000 0.207 112 L C 2.242 179.169 176.870 0.095 0.000 1.086 112 L CA 0.648 55.458 54.840 -0.050 0.000 0.760 112 L CB -0.691 41.367 42.059 -0.002 0.000 0.910 112 L HN 0.250 nan 8.230 nan 0.000 0.437 113 N N 0.056 118.781 118.700 0.042 0.000 2.007 113 N HA -0.242 4.499 4.740 0.001 0.000 0.197 113 N C 1.640 177.072 175.510 -0.129 0.000 1.050 113 N CA 1.933 54.945 53.050 -0.063 0.000 0.856 113 N CB -0.585 37.787 38.487 -0.191 0.000 1.050 113 N HN 0.360 nan 8.380 nan 0.000 0.423 114 W N 1.206 122.512 121.300 0.011 0.000 2.332 114 W HA -0.050 4.610 4.660 0.001 0.000 0.321 114 W C 2.746 179.243 176.519 -0.037 0.000 1.219 114 W CA 1.362 58.703 57.345 -0.007 0.000 1.277 114 W CB -1.090 28.357 29.460 -0.021 0.000 1.161 114 W HN 0.177 nan 8.180 nan 0.000 0.476 115 G N -0.791 108.097 108.800 0.146 0.000 2.550 115 G HA2 -0.352 3.608 3.960 0.001 0.000 0.222 115 G HA3 -0.352 3.608 3.960 0.001 0.000 0.222 115 G C 1.116 175.926 174.900 -0.149 0.000 1.113 115 G CA 1.483 46.556 45.100 -0.045 0.000 0.748 115 G HN 0.287 nan 8.290 nan 0.000 0.585 116 Y N 0.116 120.377 120.300 -0.065 0.000 2.269 116 Y HA 0.149 4.700 4.550 0.001 0.000 0.294 116 Y C 3.049 178.867 175.900 -0.137 0.000 1.120 116 Y CA 0.845 58.874 58.100 -0.117 0.000 1.159 116 Y CB -0.106 38.252 38.460 -0.170 0.000 1.024 116 Y HN 0.043 nan 8.280 nan 0.000 0.532 117 R N -0.365 120.139 120.500 0.006 0.000 2.096 117 R HA -0.180 4.161 4.340 0.001 0.000 0.240 117 R C 2.045 178.387 176.300 0.070 0.000 1.139 117 R CA 2.018 58.105 56.100 -0.021 0.000 0.952 117 R CB -0.910 29.389 30.300 -0.003 0.000 0.854 117 R HN 0.212 nan 8.270 nan 0.000 0.436 118 V N 0.903 120.879 119.914 0.104 0.000 2.233 118 V HA -0.275 3.845 4.120 0.001 0.000 0.247 118 V C 2.544 178.654 176.094 0.026 0.000 1.050 118 V CA 1.992 64.338 62.300 0.077 0.000 1.010 118 V CB -1.184 30.672 31.823 0.055 0.000 0.637 118 V HN 0.401 nan 8.190 nan 0.000 0.444 119 A N 0.157 122.971 122.820 -0.011 0.000 1.927 119 A HA -0.211 4.110 4.320 0.001 0.000 0.220 119 A C 2.287 179.867 177.584 -0.006 0.000 1.185 119 A CA 2.353 54.373 52.037 -0.027 0.000 0.639 119 A CB -0.676 18.289 19.000 -0.059 0.000 0.820 119 A HN 0.511 nan 8.150 nan 0.000 0.451 120 L N -0.572 120.655 121.223 0.005 0.000 1.976 120 L HA -0.233 4.108 4.340 0.001 0.000 0.209 120 L C 2.990 179.874 176.870 0.023 0.000 1.071 120 L CA 2.077 56.920 54.840 0.004 0.000 0.746 120 L CB -0.708 41.342 42.059 -0.014 0.000 0.890 120 L HN 0.648 nan 8.230 nan 0.000 0.432 121 R N 0.628 121.157 120.500 0.048 0.000 2.081 121 R HA -0.250 4.091 4.340 0.001 0.000 0.235 121 R C 1.970 178.289 176.300 0.032 0.000 1.131 121 R CA 1.949 58.083 56.100 0.056 0.000 0.960 121 R CB -0.530 29.821 30.300 0.084 0.000 0.856 121 R HN 0.254 nan 8.270 nan 0.000 0.436 122 E N 1.121 121.334 120.200 0.022 0.000 2.070 122 E HA -0.157 4.194 4.350 0.001 0.000 0.197 122 E C 1.472 178.069 176.600 -0.005 0.000 1.004 122 E CA 1.598 58.001 56.400 0.005 0.000 0.805 122 E CB 0.064 29.760 29.700 -0.007 0.000 0.744 122 E HN 0.213 nan 8.360 nan 0.000 0.451 123 K N 0.174 120.567 120.400 -0.010 0.000 2.525 123 K HA -0.002 4.319 4.320 0.001 0.000 0.192 123 K C 0.275 176.866 176.600 -0.016 0.000 1.029 123 K CA 0.603 56.877 56.287 -0.022 0.000 1.029 123 K CB 0.201 32.682 32.500 -0.031 0.000 0.814 123 K HN 0.207 nan 8.250 nan 0.000 0.503 124 K N -0.896 119.505 120.400 0.001 0.000 3.533 124 K HA -0.106 4.215 4.320 0.001 0.000 0.289 124 K C -0.382 176.227 176.600 0.015 0.000 1.317 124 K CA 0.365 56.659 56.287 0.012 0.000 0.967 124 K CB -1.714 30.789 32.500 0.005 0.000 1.323 124 K HN -0.085 nan 8.250 nan 0.000 0.477 125 V N 2.505 122.421 119.914 0.003 0.000 2.455 125 V HA 0.103 4.224 4.120 0.001 0.000 0.273 125 V C 0.911 177.006 176.094 0.003 0.000 1.045 125 V CA -0.386 61.906 62.300 -0.013 0.000 0.976 125 V CB 1.434 33.240 31.823 -0.028 0.000 0.993 125 V HN 0.015 nan 8.190 nan 0.000 0.475 126 V N 6.275 126.171 119.914 -0.030 0.000 2.572 126 V HA 0.113 4.233 4.120 0.001 0.000 0.291 126 V C -0.348 175.731 176.094 -0.025 0.000 1.039 126 V CA -0.157 62.127 62.300 -0.027 0.000 1.055 126 V CB 0.556 32.337 31.823 -0.071 0.000 0.969 126 V HN 0.752 nan 8.190 nan 0.000 0.482 127 Y N 4.681 124.919 120.300 -0.105 0.000 2.328 127 Y HA 0.686 5.237 4.550 0.001 0.000 0.336 127 Y C -0.436 175.403 175.900 -0.101 0.000 0.960 127 Y CA -1.652 56.380 58.100 -0.114 0.000 1.134 127 Y CB 1.583 39.995 38.460 -0.079 0.000 1.166 127 Y HN 0.690 nan 8.280 nan 0.000 0.464 128 E N 4.531 124.454 120.200 -0.461 0.000 2.191 128 E HA 0.234 4.584 4.350 0.001 0.000 0.263 128 E C -0.895 175.364 176.600 -0.568 0.000 0.881 128 E CA -0.350 55.735 56.400 -0.525 0.000 0.757 128 E CB 0.666 30.202 29.700 -0.273 0.000 1.147 128 E HN 0.752 nan 8.360 nan 0.000 0.414 129 N N 3.235 121.536 118.700 -0.666 0.000 3.103 129 N HA 0.255 4.996 4.740 0.001 0.000 0.305 129 N C -1.159 174.274 175.510 -0.127 0.000 1.232 129 N CA 0.009 52.833 53.050 -0.375 0.000 1.190 129 N CB -0.053 38.210 38.487 -0.374 0.000 1.461 129 N HN 0.392 nan 8.380 nan 0.000 0.538 130 A N 1.846 124.682 122.820 0.027 0.000 2.515 130 A HA 0.275 4.595 4.320 0.001 0.000 0.296 130 A C -1.662 176.119 177.584 0.330 0.000 1.094 130 A CA -0.624 51.557 52.037 0.241 0.000 0.718 130 A CB 0.818 19.911 19.000 0.155 0.000 1.307 130 A HN 0.553 nan 8.150 nan 0.000 0.408 131 Y N 1.503 121.960 120.300 0.261 0.000 2.436 131 Y HA 0.454 5.005 4.550 0.001 0.000 0.343 131 Y C 0.966 176.875 175.900 0.015 0.000 1.008 131 Y CA 0.455 58.582 58.100 0.045 0.000 1.241 131 Y CB 0.542 38.849 38.460 -0.255 0.000 1.153 131 Y HN 0.833 nan 8.280 nan 0.000 0.521 132 G N 4.553 113.261 108.800 -0.153 0.000 2.539 132 G HA2 0.414 4.374 3.960 0.001 0.000 0.258 132 G HA3 0.414 4.374 3.960 0.001 0.000 0.258 132 G C -1.349 173.528 174.900 -0.038 0.000 1.202 132 G CA -0.454 44.595 45.100 -0.084 0.000 0.851 132 G HN 0.685 nan 8.290 nan 0.000 0.556 133 Q N -0.415 119.379 119.800 -0.011 0.000 2.364 133 Q HA 0.227 4.568 4.340 0.001 0.000 0.257 133 Q C -1.481 174.535 176.000 0.026 0.000 0.956 133 Q CA -0.657 55.171 55.803 0.041 0.000 0.924 133 Q CB 1.822 30.655 28.738 0.158 0.000 1.413 133 Q HN 0.451 nan 8.270 nan 0.000 0.418 134 F N 3.691 123.669 119.950 0.046 0.000 2.484 134 F HA 0.184 4.712 4.527 0.001 0.000 0.360 134 F C 1.393 177.206 175.800 0.022 0.000 1.101 134 F CA 0.146 58.143 58.000 -0.005 0.000 1.251 134 F CB 0.585 39.545 39.000 -0.066 0.000 1.132 134 F HN 0.560 nan 8.300 nan 0.000 0.570 135 I N -0.583 120.137 120.570 0.250 0.000 4.471 135 I HA 0.629 4.799 4.170 0.001 0.000 0.326 135 I C 0.657 176.845 176.117 0.119 0.000 1.300 135 I CA 0.069 61.461 61.300 0.153 0.000 1.237 135 I CB 0.509 38.587 38.000 0.129 0.000 1.195 135 I HN 0.526 nan 8.210 nan 0.000 0.427 136 G N 0.944 109.823 108.800 0.131 0.000 2.451 136 G HA2 0.408 4.368 3.960 0.001 0.000 0.292 136 G HA3 0.408 4.368 3.960 0.001 0.000 0.292 136 G C -3.272 171.684 174.900 0.092 0.000 1.427 136 G CA -1.033 44.119 45.100 0.087 0.000 0.792 136 G HN -0.256 nan 8.290 nan 0.000 0.498 137 P HA 0.155 nan 4.420 nan 0.000 0.261 137 P C -0.032 177.403 177.300 0.226 0.000 1.165 137 P CA 1.034 64.238 63.100 0.174 0.000 0.759 137 P CB 0.034 31.837 31.700 0.172 0.000 0.772 138 H N -0.884 118.132 119.070 -0.090 0.000 3.100 138 H HA -0.233 4.324 4.556 0.001 0.000 0.271 138 H C 0.298 175.788 175.328 0.269 0.000 1.116 138 H CA 1.204 57.280 56.048 0.047 0.000 1.177 138 H CB -1.381 28.406 29.762 0.042 0.000 1.294 138 H HN 0.358 nan 8.280 nan 0.000 0.334 139 R N 0.121 120.781 120.500 0.266 0.000 2.562 139 R HA 0.729 5.069 4.340 0.001 0.000 0.298 139 R C -0.797 175.688 176.300 0.309 0.000 0.961 139 R CA -0.649 55.643 56.100 0.321 0.000 0.881 139 R CB 1.721 32.160 30.300 0.232 0.000 1.159 139 R HN 0.313 nan 8.270 nan 0.000 0.450 140 I N 1.683 122.467 120.570 0.356 0.000 2.656 140 I HA 0.373 4.544 4.170 0.001 0.000 0.292 140 I C -1.203 175.072 176.117 0.263 0.000 1.144 140 I CA -0.836 60.625 61.300 0.268 0.000 1.038 140 I CB 1.632 39.798 38.000 0.276 0.000 1.244 140 I HN 0.492 nan 8.210 nan 0.000 0.420 141 K N 6.434 126.946 120.400 0.186 0.000 2.227 141 K HA 0.668 4.989 4.320 0.001 0.000 0.280 141 K C -0.893 175.827 176.600 0.200 0.000 1.041 141 K CA -0.424 55.968 56.287 0.174 0.000 0.905 141 K CB 1.370 33.945 32.500 0.126 0.000 1.068 141 K HN 0.657 nan 8.250 nan 0.000 0.470 142 A N 4.029 127.003 122.820 0.258 0.000 2.412 142 A HA 0.269 4.589 4.320 0.001 0.000 0.334 142 A C -0.558 177.156 177.584 0.217 0.000 1.419 142 A CA -0.613 51.588 52.037 0.273 0.000 0.930 142 A CB 0.501 19.768 19.000 0.446 0.000 1.149 142 A HN 0.707 nan 8.150 nan 0.000 0.515 143 T N 3.755 118.426 114.554 0.194 0.000 2.761 143 T HA 0.207 4.557 4.350 0.001 0.000 0.296 143 T C 0.835 175.659 174.700 0.206 0.000 0.934 143 T CA -0.475 61.715 62.100 0.150 0.000 1.091 143 T CB 0.245 69.159 68.868 0.076 0.000 0.896 143 T HN 0.857 nan 8.240 nan 0.000 0.515 144 N N 2.858 121.661 118.700 0.172 0.000 2.366 144 N HA 0.070 4.811 4.740 0.001 0.000 0.277 144 N C 1.076 176.729 175.510 0.237 0.000 1.275 144 N CA -0.444 52.717 53.050 0.184 0.000 0.964 144 N CB 0.318 38.867 38.487 0.103 0.000 1.167 144 N HN 0.423 nan 8.380 nan 0.000 0.568 145 N N -0.499 118.307 118.700 0.176 0.000 2.166 145 N HA -0.112 4.629 4.740 0.001 0.000 0.186 145 N C 0.345 175.931 175.510 0.127 0.000 1.019 145 N CA 1.441 54.596 53.050 0.176 0.000 0.856 145 N CB -0.006 38.476 38.487 -0.009 0.000 0.993 145 N HN 0.549 nan 8.380 nan 0.000 0.426 146 K N -0.875 119.571 120.400 0.076 0.000 2.596 146 K HA 0.243 4.564 4.320 0.001 0.000 0.211 146 K C 0.680 177.308 176.600 0.046 0.000 1.046 146 K CA 0.387 56.705 56.287 0.051 0.000 1.202 146 K CB 0.224 32.743 32.500 0.033 0.000 0.925 146 K HN 0.341 nan 8.250 nan 0.000 0.486 147 G N 1.343 110.177 108.800 0.058 0.000 2.320 147 G HA2 -0.267 3.694 3.960 0.001 0.000 0.242 147 G HA3 -0.267 3.694 3.960 0.001 0.000 0.242 147 G C 0.044 174.968 174.900 0.039 0.000 1.033 147 G CA -0.230 44.891 45.100 0.036 0.000 0.620 147 G HN 0.188 nan 8.290 nan 0.000 0.517 148 K N 2.457 122.884 120.400 0.045 0.000 2.453 148 K HA 0.224 4.544 4.320 0.001 0.000 0.280 148 K C 0.659 177.294 176.600 0.058 0.000 1.045 148 K CA 0.604 56.916 56.287 0.042 0.000 1.059 148 K CB 0.391 32.915 32.500 0.041 0.000 0.901 148 K HN 0.713 nan 8.250 nan 0.000 0.475 149 E N 2.350 122.578 120.200 0.047 0.000 2.222 149 E HA 0.392 4.742 4.350 0.001 0.000 0.272 149 E C -0.354 176.271 176.600 0.041 0.000 0.982 149 E CA -0.807 55.629 56.400 0.060 0.000 0.842 149 E CB 2.211 31.939 29.700 0.047 0.000 1.144 149 E HN 0.283 nan 8.360 nan 0.000 0.397 150 K N 1.347 121.778 120.400 0.051 0.000 2.512 150 K HA 0.461 4.782 4.320 0.001 0.000 0.263 150 K C -1.684 174.844 176.600 -0.120 0.000 0.966 150 K CA -0.760 55.485 56.287 -0.070 0.000 0.851 150 K CB 1.955 34.398 32.500 -0.095 0.000 1.395 150 K HN 0.381 nan 8.250 nan 0.000 0.440 151 I N 3.673 124.059 120.570 -0.308 0.000 2.466 151 I HA 0.411 4.582 4.170 0.001 0.000 0.289 151 I C -1.720 174.217 176.117 -0.300 0.000 1.026 151 I CA -0.522 60.683 61.300 -0.159 0.000 1.078 151 I CB 0.959 38.944 38.000 -0.027 0.000 1.249 151 I HN 0.646 nan 8.210 nan 0.000 0.429 152 Y N 4.285 124.706 120.300 0.202 0.000 2.570 152 Y HA 0.622 5.173 4.550 0.001 0.000 0.345 152 Y C 0.300 176.404 175.900 0.340 0.000 1.014 152 Y CA -0.852 57.402 58.100 0.256 0.000 1.063 152 Y CB 1.955 40.603 38.460 0.314 0.000 1.272 152 Y HN 0.536 nan 8.280 nan 0.000 0.477 153 S N 0.542 116.554 115.700 0.521 0.000 2.548 153 S HA 0.988 5.459 4.470 0.001 0.000 0.286 153 S C -1.097 173.770 174.600 0.446 0.000 1.098 153 S CA -0.605 57.928 58.200 0.555 0.000 0.930 153 S CB 1.995 65.493 63.200 0.497 0.000 1.070 153 S HN 1.147 nan 8.310 nan 0.000 0.480 154 A N 1.076 124.107 122.820 0.353 0.000 2.572 154 A HA 0.686 5.007 4.320 0.001 0.000 0.295 154 A C 0.460 177.840 177.584 -0.340 0.000 1.072 154 A CA -0.572 51.415 52.037 -0.084 0.000 0.691 154 A CB 1.301 20.002 19.000 -0.499 0.000 1.291 154 A HN 0.972 nan 8.150 nan 0.000 0.404 155 E N 0.262 120.143 120.200 -0.532 0.000 2.077 155 E HA -0.091 4.259 4.350 0.001 0.000 0.193 155 E C 0.397 177.011 176.600 0.023 0.000 0.989 155 E CA 1.051 57.165 56.400 -0.477 0.000 0.800 155 E CB 0.119 29.771 29.700 -0.081 0.000 0.746 155 E HN 0.557 nan 8.360 nan 0.000 0.452 156 R N -1.124 119.432 120.500 0.093 0.000 2.837 156 R HA 0.442 4.783 4.340 0.001 0.000 0.271 156 R C -1.406 175.016 176.300 0.203 0.000 0.993 156 R CA -0.712 55.576 56.100 0.313 0.000 0.931 156 R CB 1.399 31.884 30.300 0.309 0.000 1.206 156 R HN -0.101 nan 8.270 nan 0.000 0.474 157 F N 1.026 121.133 119.950 0.261 0.000 2.565 157 F HA 0.446 4.973 4.527 0.001 0.000 0.313 157 F C -0.745 175.193 175.800 0.229 0.000 1.091 157 F CA -0.935 57.207 58.000 0.236 0.000 0.915 157 F CB 1.788 41.012 39.000 0.374 0.000 1.208 157 F HN 0.169 nan 8.300 nan 0.000 0.453 158 L N 4.716 126.112 121.223 0.288 0.000 2.343 158 L HA 0.638 4.979 4.340 0.001 0.000 0.278 158 L C -1.093 175.878 176.870 0.168 0.000 0.996 158 L CA -0.393 54.577 54.840 0.217 0.000 0.831 158 L CB 0.919 43.044 42.059 0.110 0.000 1.232 158 L HN 0.475 nan 8.230 nan 0.000 0.413 159 I N 5.685 126.360 120.570 0.175 0.000 2.312 159 I HA 0.545 4.716 4.170 0.001 0.000 0.291 159 I C 0.376 176.540 176.117 0.077 0.000 1.031 159 I CA -0.129 61.242 61.300 0.117 0.000 1.293 159 I CB 1.309 39.390 38.000 0.135 0.000 1.403 159 I HN 0.832 nan 8.210 nan 0.000 0.484 160 A N 3.709 126.553 122.820 0.040 0.000 3.453 160 A HA 0.296 4.617 4.320 0.001 0.000 0.262 160 A C 0.733 178.323 177.584 0.010 0.000 1.026 160 A CA -0.389 51.666 52.037 0.029 0.000 0.938 160 A CB -0.208 18.804 19.000 0.021 0.000 1.246 160 A HN 0.747 nan 8.150 nan 0.000 0.546 161 T N -2.721 111.840 114.554 0.011 0.000 3.081 161 T HA 0.441 4.792 4.350 0.001 0.000 0.255 161 T C 1.387 176.107 174.700 0.033 0.000 1.113 161 T CA 1.085 63.185 62.100 0.000 0.000 1.082 161 T CB -0.189 68.665 68.868 -0.022 0.000 0.939 161 T HN 2.118 nan 8.240 nan 0.000 0.506 162 G N 1.441 110.268 108.800 0.045 0.000 2.601 162 G HA2 -0.169 3.791 3.960 0.001 0.000 0.261 162 G HA3 -0.169 3.791 3.960 0.001 0.000 0.261 162 G C -0.632 174.312 174.900 0.073 0.000 1.289 162 G CA 0.084 45.221 45.100 0.062 0.000 0.920 162 G HN 0.690 nan 8.290 nan 0.000 0.571 163 E N -0.487 119.765 120.200 0.087 0.000 2.428 163 E HA 0.810 5.160 4.350 0.001 0.000 0.259 163 E C -0.182 176.490 176.600 0.120 0.000 0.930 163 E CA -1.169 55.288 56.400 0.094 0.000 0.823 163 E CB 1.429 31.178 29.700 0.083 0.000 1.403 163 E HN 0.508 nan 8.360 nan 0.000 0.415 164 R N 0.079 120.652 120.500 0.120 0.000 2.799 164 R HA 0.472 4.813 4.340 0.001 0.000 0.270 164 R C -2.767 173.604 176.300 0.118 0.000 1.010 164 R CA -2.510 53.679 56.100 0.148 0.000 0.916 164 R CB 0.376 30.777 30.300 0.169 0.000 1.228 164 R HN 0.319 nan 8.270 nan 0.000 0.469 165 P HA 0.086 nan 4.420 nan 0.000 0.268 165 P C -0.303 177.029 177.300 0.052 0.000 1.208 165 P CA -0.043 63.082 63.100 0.042 0.000 0.777 165 P CB 0.647 32.351 31.700 0.006 0.000 0.875 166 R N 1.947 122.436 120.500 -0.017 0.000 2.674 166 R HA 0.492 4.832 4.340 0.001 0.000 0.266 166 R C -1.020 175.241 176.300 -0.065 0.000 1.016 166 R CA -0.489 55.632 56.100 0.034 0.000 1.062 166 R CB 0.568 30.884 30.300 0.026 0.000 1.142 166 R HN 0.392 nan 8.270 nan 0.000 0.517 167 Y N 0.564 120.883 120.300 0.031 0.000 2.602 167 Y HA 0.261 4.812 4.550 0.001 0.000 0.342 167 Y C 0.826 176.742 175.900 0.027 0.000 1.029 167 Y CA -0.763 57.354 58.100 0.028 0.000 1.080 167 Y CB 1.949 40.424 38.460 0.026 0.000 1.284 167 Y HN 0.439 nan 8.280 nan 0.000 0.485 168 L N 0.822 122.180 121.223 0.224 0.000 2.209 168 L HA 0.133 4.474 4.340 0.001 0.000 0.207 168 L C 1.648 178.590 176.870 0.120 0.000 1.094 168 L CA 1.239 56.159 54.840 0.135 0.000 0.790 168 L CB -0.367 41.761 42.059 0.116 0.000 0.932 168 L HN 1.093 nan 8.230 nan 0.000 0.447 169 G N 0.774 109.655 108.800 0.134 0.000 2.195 169 G HA2 -0.284 3.676 3.960 0.001 0.000 0.246 169 G HA3 -0.284 3.676 3.960 0.001 0.000 0.246 169 G C 0.512 175.447 174.900 0.058 0.000 0.984 169 G CA 0.262 45.406 45.100 0.073 0.000 0.633 169 G HN 0.418 nan 8.290 nan 0.000 0.525 170 I N -0.640 119.979 120.570 0.080 0.000 3.004 170 I HA 0.604 4.775 4.170 0.001 0.000 0.287 170 I C -2.113 174.044 176.117 0.066 0.000 1.144 170 I CA -2.129 59.215 61.300 0.072 0.000 1.353 170 I CB 0.415 38.467 38.000 0.086 0.000 1.417 170 I HN -0.096 nan 8.210 nan 0.000 0.602 171 P HA 0.167 nan 4.420 nan 0.000 0.271 171 P C 0.580 177.943 177.300 0.105 0.000 1.220 171 P CA 0.892 64.031 63.100 0.065 0.000 0.768 171 P CB 0.950 32.689 31.700 0.066 0.000 0.848 172 G N 3.537 112.383 108.800 0.077 0.000 2.205 172 G HA2 -0.297 3.664 3.960 0.001 0.000 0.261 172 G HA3 -0.297 3.664 3.960 0.001 0.000 0.261 172 G C 0.989 175.951 174.900 0.104 0.000 0.980 172 G CA 0.630 45.807 45.100 0.129 0.000 0.632 172 G HN 0.581 nan 8.290 nan 0.000 0.533 173 D N 0.890 121.353 120.400 0.105 0.000 2.097 173 D HA -0.071 4.570 4.640 0.001 0.000 0.195 173 D C 1.943 178.342 176.300 0.165 0.000 0.989 173 D CA 1.676 55.790 54.000 0.190 0.000 0.827 173 D CB -0.501 40.458 40.800 0.266 0.000 0.966 173 D HN 0.475 nan 8.370 nan 0.000 0.456 174 K N 0.031 120.362 120.400 -0.115 0.000 2.366 174 K HA -0.014 4.306 4.320 0.001 0.000 0.198 174 K C 1.819 178.304 176.600 -0.191 0.000 1.044 174 K CA 0.885 56.989 56.287 -0.306 0.000 0.973 174 K CB 0.171 32.373 32.500 -0.496 0.000 0.767 174 K HN 0.430 nan 8.250 nan 0.000 0.475 175 E N -0.515 119.510 120.200 -0.291 0.000 2.364 175 E HA -0.073 4.278 4.350 0.001 0.000 0.196 175 E C 0.683 176.938 176.600 -0.574 0.000 0.990 175 E CA 0.810 56.899 56.400 -0.517 0.000 0.886 175 E CB 0.094 29.294 29.700 -0.832 0.000 0.866 175 E HN 0.376 nan 8.360 nan 0.000 0.493 176 Y N 0.190 120.534 120.300 0.073 0.000 2.448 176 Y HA 0.282 4.832 4.550 0.001 0.000 0.257 176 Y C 1.038 176.999 175.900 0.101 0.000 1.089 176 Y CA -1.161 56.985 58.100 0.077 0.000 1.245 176 Y CB 0.277 38.773 38.460 0.060 0.000 1.282 176 Y HN -0.036 nan 8.280 nan 0.000 0.529 177 C N 1.991 121.432 119.300 0.235 0.000 2.335 177 C HA 0.753 5.214 4.460 0.001 0.000 0.363 177 C C 0.457 175.556 174.990 0.181 0.000 1.198 177 C CA -1.023 58.114 59.018 0.198 0.000 2.279 177 C CB 0.590 28.451 27.740 0.202 0.000 2.334 177 C HN 0.358 nan 8.230 nan 0.000 0.559 178 I N 0.060 120.689 120.570 0.099 0.000 2.892 178 I HA 0.829 5.000 4.170 0.001 0.000 0.306 178 I C -0.098 176.002 176.117 -0.028 0.000 1.078 178 I CA -0.145 61.197 61.300 0.069 0.000 1.032 178 I CB 2.118 40.144 38.000 0.043 0.000 1.229 178 I HN 0.695 nan 8.210 nan 0.000 0.435 179 S N 1.351 117.034 115.700 -0.029 0.000 2.801 179 S HA 0.382 4.852 4.470 0.001 0.000 0.312 179 S C 1.017 175.557 174.600 -0.100 0.000 1.112 179 S CA 0.024 58.165 58.200 -0.098 0.000 0.943 179 S CB 1.122 64.268 63.200 -0.090 0.000 1.269 179 S HN 0.919 nan 8.310 nan 0.000 0.558 180 S N 0.279 115.920 115.700 -0.098 0.000 2.400 180 S HA -0.175 4.295 4.470 0.001 0.000 0.232 180 S C 0.998 175.547 174.600 -0.084 0.000 1.025 180 S CA 1.609 59.729 58.200 -0.134 0.000 0.993 180 S CB -1.044 62.184 63.200 0.046 0.000 0.808 180 S HN 0.677 nan 8.310 nan 0.000 0.478 181 D N 2.055 122.478 120.400 0.039 0.000 2.144 181 D HA -0.061 4.579 4.640 0.001 0.000 0.199 181 D C 1.561 177.957 176.300 0.161 0.000 0.984 181 D CA 1.418 55.489 54.000 0.117 0.000 0.834 181 D CB -0.349 40.669 40.800 0.362 0.000 0.955 181 D HN 0.562 nan 8.370 nan 0.000 0.465 182 D N -0.039 120.426 120.400 0.108 0.000 2.277 182 D HA -0.043 4.597 4.640 0.001 0.000 0.209 182 D C 2.244 178.553 176.300 0.015 0.000 0.970 182 D CA -0.201 53.868 54.000 0.116 0.000 0.874 182 D CB 0.143 41.015 40.800 0.120 0.000 0.982 182 D HN 0.109 nan 8.370 nan 0.000 0.504 183 L N 0.942 122.076 121.223 -0.148 0.000 1.978 183 L HA -0.215 4.126 4.340 0.001 0.000 0.218 183 L C 1.732 178.508 176.870 -0.157 0.000 1.075 183 L CA 1.802 56.493 54.840 -0.247 0.000 0.767 183 L CB -0.763 40.973 42.059 -0.538 0.000 0.890 183 L HN -0.062 nan 8.230 nan 0.000 0.434 184 F N 0.284 120.295 119.950 0.102 0.000 2.773 184 F HA -0.069 4.459 4.527 0.001 0.000 0.299 184 F C 1.931 177.736 175.800 0.009 0.000 1.204 184 F CA 0.792 58.807 58.000 0.025 0.000 1.454 184 F CB -0.751 38.217 39.000 -0.054 0.000 1.117 184 F HN 0.302 nan 8.300 nan 0.000 0.590 185 S N -2.189 113.620 115.700 0.181 0.000 2.993 185 S HA 0.225 4.696 4.470 0.001 0.000 0.257 185 S C 0.015 174.716 174.600 0.169 0.000 0.997 185 S CA -0.524 57.771 58.200 0.158 0.000 1.191 185 S CB -0.718 62.587 63.200 0.175 0.000 1.143 185 S HN 0.092 nan 8.310 nan 0.000 0.655 186 L N 2.646 123.982 121.223 0.190 0.000 2.640 186 L HA 0.099 4.440 4.340 0.001 0.000 0.280 186 L C -1.545 175.423 176.870 0.162 0.000 1.229 186 L CA -0.705 54.171 54.840 0.060 0.000 0.919 186 L CB 0.749 42.721 42.059 -0.145 0.000 1.168 186 L HN 0.126 nan 8.230 nan 0.000 0.496 187 P HA -0.069 nan 4.420 nan 0.000 0.230 187 P C -1.138 176.352 177.300 0.316 0.000 1.158 187 P CA 0.977 64.227 63.100 0.249 0.000 0.769 187 P CB 0.131 32.000 31.700 0.282 0.000 0.807 188 Y N -4.023 116.386 120.300 0.182 0.000 2.576 188 Y HA 0.555 5.105 4.550 0.001 0.000 0.346 188 Y C -0.463 175.253 175.900 -0.307 0.000 1.018 188 Y CA -2.540 55.584 58.100 0.039 0.000 1.050 188 Y CB 0.121 38.574 38.460 -0.011 0.000 1.280 188 Y HN -0.351 nan 8.280 nan 0.000 0.474 189 C N 4.698 123.752 119.300 -0.410 0.000 2.627 189 C HA 0.270 4.731 4.460 0.001 0.000 0.404 189 C C -1.042 173.576 174.990 -0.620 0.000 1.340 189 C CA -1.398 57.008 59.018 -1.021 0.000 1.758 189 C CB -0.196 27.318 27.740 -0.377 0.000 2.501 189 C HN 0.836 nan 8.230 nan 0.000 0.588 190 P HA 0.030 nan 4.420 nan 0.000 0.218 190 P C 1.027 178.229 177.300 -0.163 0.000 1.150 190 P CA 2.425 65.273 63.100 -0.421 0.000 0.841 190 P CB -0.150 31.259 31.700 -0.485 0.000 0.784 191 G N -0.813 107.883 108.800 -0.174 0.000 2.601 191 G HA2 -0.318 3.643 3.960 0.001 0.000 0.252 191 G HA3 -0.318 3.643 3.960 0.001 0.000 0.252 191 G C -0.391 174.484 174.900 -0.042 0.000 1.294 191 G CA -0.121 44.940 45.100 -0.065 0.000 0.912 191 G HN 0.515 nan 8.290 nan 0.000 0.574 192 K N 0.783 121.185 120.400 0.005 0.000 2.419 192 K HA 0.443 4.763 4.320 0.001 0.000 0.282 192 K C 0.594 177.224 176.600 0.051 0.000 1.056 192 K CA 0.895 57.207 56.287 0.042 0.000 1.035 192 K CB -0.106 32.445 32.500 0.086 0.000 0.921 192 K HN 1.035 nan 8.250 nan 0.000 0.472 193 T N 2.438 116.967 114.554 -0.040 0.000 2.916 193 T HA 0.499 4.849 4.350 0.001 0.000 0.292 193 T C -1.334 173.103 174.700 -0.439 0.000 1.064 193 T CA -1.115 60.889 62.100 -0.160 0.000 1.011 193 T CB 1.267 70.038 68.868 -0.162 0.000 1.152 193 T HN 0.441 nan 8.240 nan 0.000 0.510 194 L N 2.708 123.534 121.223 -0.661 0.000 2.346 194 L HA 0.803 5.144 4.340 0.001 0.000 0.276 194 L C -1.300 175.309 176.870 -0.434 0.000 1.006 194 L CA -0.617 53.706 54.840 -0.862 0.000 0.817 194 L CB 1.905 43.134 42.059 -1.383 0.000 1.272 194 L HN 0.610 nan 8.230 nan 0.000 0.421 195 V N 5.757 125.459 119.914 -0.353 0.000 2.357 195 V HA 0.413 4.534 4.120 0.001 0.000 0.284 195 V C -0.270 175.713 176.094 -0.186 0.000 1.018 195 V CA -0.726 61.427 62.300 -0.246 0.000 0.841 195 V CB 1.483 33.161 31.823 -0.241 0.000 0.991 195 V HN 0.539 nan 8.190 nan 0.000 0.437 196 V N 4.993 124.825 119.914 -0.137 0.000 2.385 196 V HA 0.894 5.015 4.120 0.001 0.000 0.269 196 V C 0.753 176.810 176.094 -0.061 0.000 1.043 196 V CA 0.738 62.992 62.300 -0.077 0.000 0.906 196 V CB 0.471 32.265 31.823 -0.048 0.000 0.995 196 V HN 1.253 nan 8.190 nan 0.000 0.467 197 G N 3.995 112.779 108.800 -0.028 0.000 2.340 197 G HA2 0.482 4.443 3.960 0.001 0.000 0.527 197 G HA3 0.482 4.443 3.960 0.001 0.000 0.527 197 G C -0.413 174.498 174.900 0.018 0.000 1.381 197 G CA -0.034 45.060 45.100 -0.009 0.000 1.001 197 G HN 1.355 nan 8.290 nan 0.000 0.626 198 A N -0.378 122.470 122.820 0.047 0.000 2.543 198 A HA 0.751 5.072 4.320 0.001 0.000 0.279 198 A C 0.944 178.587 177.584 0.098 0.000 0.917 198 A CA 1.253 53.345 52.037 0.091 0.000 1.036 198 A CB -0.421 18.656 19.000 0.128 0.000 1.227 198 A HN 2.307 nan 8.150 nan 0.000 0.503 199 S N -0.735 114.998 115.700 0.055 0.000 2.661 199 S HA 0.384 4.855 4.470 0.001 0.000 0.265 199 S C 1.188 175.828 174.600 0.067 0.000 1.225 199 S CA 0.181 58.425 58.200 0.072 0.000 0.986 199 S CB -0.023 63.150 63.200 -0.045 0.000 1.008 199 S HN 0.963 nan 8.310 nan 0.000 0.565 200 Y N -0.626 119.748 120.300 0.124 0.000 2.224 200 Y HA -0.015 4.536 4.550 0.001 0.000 0.289 200 Y C 1.929 177.878 175.900 0.081 0.000 1.146 200 Y CA 1.160 59.301 58.100 0.068 0.000 1.182 200 Y CB -1.282 37.221 38.460 0.071 0.000 0.983 200 Y HN 0.272 nan 8.280 nan 0.000 0.524 201 V N 1.457 121.102 119.914 -0.448 0.000 2.287 201 V HA -0.347 3.774 4.120 0.001 0.000 0.248 201 V C 2.912 178.958 176.094 -0.080 0.000 1.053 201 V CA 1.922 64.088 62.300 -0.224 0.000 1.027 201 V CB -1.473 30.157 31.823 -0.323 0.000 0.646 201 V HN 0.680 nan 8.190 nan 0.000 0.447 202 A N -0.193 122.568 122.820 -0.098 0.000 1.851 202 A HA -0.189 4.131 4.320 0.001 0.000 0.216 202 A C 2.213 179.756 177.584 -0.068 0.000 1.195 202 A CA 2.076 54.062 52.037 -0.085 0.000 0.622 202 A CB -0.678 18.288 19.000 -0.058 0.000 0.831 202 A HN 0.478 nan 8.150 nan 0.000 0.444 203 L N -0.819 120.406 121.223 0.003 0.000 2.012 203 L HA -0.237 4.104 4.340 0.001 0.000 0.210 203 L C 2.688 179.568 176.870 0.015 0.000 1.073 203 L CA 1.818 56.679 54.840 0.034 0.000 0.748 203 L CB -0.742 41.380 42.059 0.105 0.000 0.891 203 L HN 0.507 nan 8.230 nan 0.000 0.431 204 E N -0.515 119.724 120.200 0.066 0.000 2.038 204 E HA -0.258 4.092 4.350 0.001 0.000 0.195 204 E C 2.324 178.871 176.600 -0.089 0.000 1.000 204 E CA 1.872 58.333 56.400 0.102 0.000 0.803 204 E CB -0.234 29.620 29.700 0.256 0.000 0.750 204 E HN 0.553 nan 8.360 nan 0.000 0.448 205 C N 0.672 119.823 119.300 -0.249 0.000 2.436 205 C HA -0.138 4.323 4.460 0.001 0.000 0.277 205 C C 2.935 177.441 174.990 -0.806 0.000 1.241 205 C CA 0.798 59.318 59.018 -0.831 0.000 1.721 205 C CB -1.125 26.359 27.740 -0.426 0.000 2.043 205 C HN 0.546 nan 8.230 nan 0.000 0.472 206 A N 1.009 123.594 122.820 -0.392 0.000 1.892 206 A HA -0.050 4.271 4.320 0.001 0.000 0.218 206 A C 2.403 179.850 177.584 -0.228 0.000 1.188 206 A CA 2.439 54.301 52.037 -0.293 0.000 0.631 206 A CB -1.449 17.412 19.000 -0.232 0.000 0.822 206 A HN 0.579 nan 8.150 nan 0.000 0.447 207 G N -0.084 108.630 108.800 -0.142 0.000 2.491 207 G HA2 -0.250 3.710 3.960 0.001 0.000 0.218 207 G HA3 -0.250 3.710 3.960 0.001 0.000 0.218 207 G C 1.397 176.350 174.900 0.089 0.000 1.180 207 G CA 1.529 46.635 45.100 0.011 0.000 0.774 207 G HN 0.843 nan 8.290 nan 0.000 0.562 208 F N 0.663 120.698 119.950 0.142 0.000 2.259 208 F HA 0.256 4.783 4.527 0.001 0.000 0.298 208 F C 2.222 178.076 175.800 0.090 0.000 1.088 208 F CA 0.272 58.357 58.000 0.142 0.000 1.358 208 F CB -0.824 38.287 39.000 0.186 0.000 1.040 208 F HN 0.066 nan 8.300 nan 0.000 0.505 209 L N 0.831 122.100 121.223 0.076 0.000 2.012 209 L HA -0.203 4.138 4.340 0.001 0.000 0.210 209 L C 2.975 179.904 176.870 0.097 0.000 1.073 209 L CA 1.482 56.413 54.840 0.152 0.000 0.748 209 L CB -1.129 40.886 42.059 -0.074 0.000 0.891 209 L HN 0.379 nan 8.230 nan 0.000 0.431 210 A N 0.127 122.964 122.820 0.029 0.000 1.877 210 A HA -0.140 4.180 4.320 0.001 0.000 0.216 210 A C 2.358 179.983 177.584 0.069 0.000 1.186 210 A CA 1.704 53.762 52.037 0.034 0.000 0.620 210 A CB -1.286 17.724 19.000 0.017 0.000 0.822 210 A HN 0.460 nan 8.150 nan 0.000 0.443 211 G N -0.718 108.144 108.800 0.103 0.000 2.470 211 G HA2 -0.113 3.848 3.960 0.001 0.000 0.220 211 G HA3 -0.113 3.848 3.960 0.001 0.000 0.220 211 G C 1.173 176.104 174.900 0.051 0.000 1.121 211 G CA 1.094 46.250 45.100 0.093 0.000 0.766 211 G HN 0.395 nan 8.290 nan 0.000 0.553 212 I N 0.663 121.265 120.570 0.053 0.000 3.684 212 I HA 0.275 4.446 4.170 0.001 0.000 0.304 212 I C 1.900 178.017 176.117 -0.000 0.000 1.278 212 I CA 0.381 61.638 61.300 -0.072 0.000 1.272 212 I CB 0.034 37.988 38.000 -0.077 0.000 1.029 212 I HN 0.286 nan 8.210 nan 0.000 0.458 213 G N -0.238 108.589 108.800 0.045 0.000 2.163 213 G HA2 -0.188 3.773 3.960 0.001 0.000 0.213 213 G HA3 -0.188 3.773 3.960 0.001 0.000 0.213 213 G C 0.336 175.268 174.900 0.054 0.000 0.991 213 G CA 0.017 45.151 45.100 0.057 0.000 0.653 213 G HN 0.283 nan 8.290 nan 0.000 0.518 214 L N 0.618 121.870 121.223 0.049 0.000 2.416 214 L HA 0.520 4.861 4.340 0.001 0.000 0.262 214 L C 0.309 177.185 176.870 0.009 0.000 1.093 214 L CA -0.909 53.946 54.840 0.026 0.000 0.801 214 L CB 0.792 42.858 42.059 0.010 0.000 1.191 214 L HN 0.143 nan 8.230 nan 0.000 0.459 215 D N 1.430 121.832 120.400 0.002 0.000 2.365 215 D HA 0.286 4.926 4.640 0.001 0.000 0.237 215 D C -1.080 175.204 176.300 -0.025 0.000 1.190 215 D CA -0.125 53.877 54.000 0.003 0.000 0.867 215 D CB 1.128 41.942 40.800 0.023 0.000 1.050 215 D HN 0.067 nan 8.370 nan 0.000 0.491 216 V N 3.314 123.194 119.914 -0.057 0.000 2.715 216 V HA 0.531 4.652 4.120 0.001 0.000 0.310 216 V C 0.344 176.338 176.094 -0.166 0.000 1.054 216 V CA -0.616 61.606 62.300 -0.130 0.000 0.928 216 V CB 2.200 33.933 31.823 -0.151 0.000 1.007 216 V HN 0.569 nan 8.190 nan 0.000 0.437 217 T N 2.556 116.958 114.554 -0.254 0.000 2.912 217 T HA 0.627 4.977 4.350 0.001 0.000 0.299 217 T C -0.931 173.541 174.700 -0.379 0.000 1.052 217 T CA -0.481 61.453 62.100 -0.275 0.000 0.996 217 T CB 1.956 70.734 68.868 -0.150 0.000 1.070 217 T HN 0.361 nan 8.240 nan 0.000 0.465 218 V N 3.381 123.025 119.914 -0.451 0.000 2.407 218 V HA 0.462 4.583 4.120 0.001 0.000 0.291 218 V C -0.228 175.764 176.094 -0.171 0.000 1.018 218 V CA -0.770 61.288 62.300 -0.403 0.000 0.842 218 V CB 1.558 32.969 31.823 -0.687 0.000 0.996 218 V HN 0.920 nan 8.190 nan 0.000 0.426 219 M N 6.272 125.821 119.600 -0.086 0.000 2.084 219 M HA 0.512 4.993 4.480 0.001 0.000 0.351 219 M C -1.162 175.188 176.300 0.084 0.000 1.240 219 M CA -0.237 55.081 55.300 0.031 0.000 1.083 219 M CB 0.873 33.493 32.600 0.033 0.000 1.593 219 M HN 0.473 nan 8.290 nan 0.000 0.463 220 V N 6.381 126.388 119.914 0.154 0.000 2.394 220 V HA 0.317 4.438 4.120 0.001 0.000 0.282 220 V C 0.941 177.115 176.094 0.133 0.000 1.031 220 V CA -0.576 61.815 62.300 0.151 0.000 0.881 220 V CB 1.230 33.169 31.823 0.192 0.000 0.982 220 V HN 0.981 nan 8.190 nan 0.000 0.451 221 R N 3.133 123.690 120.500 0.095 0.000 2.062 221 R HA -0.103 4.238 4.340 0.001 0.000 0.231 221 R C 1.790 178.121 176.300 0.051 0.000 1.136 221 R CA 2.152 58.292 56.100 0.067 0.000 0.948 221 R CB 0.166 30.496 30.300 0.051 0.000 0.845 221 R HN 0.896 nan 8.270 nan 0.000 0.430 222 S N -0.885 114.850 115.700 0.058 0.000 3.884 222 S HA 0.237 4.708 4.470 0.001 0.000 0.174 222 S C 0.704 175.337 174.600 0.055 0.000 0.872 222 S CA -0.232 57.996 58.200 0.046 0.000 1.015 222 S CB -0.217 63.005 63.200 0.037 0.000 1.395 222 S HN 0.325 nan 8.310 nan 0.000 0.737 223 I N -0.244 120.363 120.570 0.061 0.000 3.170 223 I HA 0.661 4.832 4.170 0.001 0.000 0.312 223 I C -1.115 175.052 176.117 0.083 0.000 1.085 223 I CA -1.605 59.732 61.300 0.061 0.000 0.999 223 I CB 1.552 39.585 38.000 0.055 0.000 1.233 223 I HN 0.293 nan 8.210 nan 0.000 0.467 224 L N 2.719 123.987 121.223 0.074 0.000 2.357 224 L HA 0.407 4.748 4.340 0.001 0.000 0.273 224 L C -0.059 176.893 176.870 0.136 0.000 1.080 224 L CA -1.038 53.860 54.840 0.097 0.000 0.803 224 L CB 1.118 43.208 42.059 0.053 0.000 1.174 224 L HN 0.619 nan 8.230 nan 0.000 0.443 225 L N 2.026 123.356 121.223 0.179 0.000 3.943 225 L HA -0.236 4.104 4.340 0.001 0.000 0.529 225 L C 0.731 177.843 176.870 0.404 0.000 1.173 225 L CA 0.267 55.300 54.840 0.321 0.000 0.737 225 L CB -1.289 40.894 42.059 0.206 0.000 1.321 225 L HN 0.690 nan 8.230 nan 0.000 0.794 226 R N 1.556 122.219 120.500 0.272 0.000 2.458 226 R HA 0.311 4.651 4.340 0.001 0.000 0.303 226 R C 1.320 177.724 176.300 0.173 0.000 1.013 226 R CA 1.106 57.321 56.100 0.191 0.000 1.026 226 R CB 0.364 30.738 30.300 0.123 0.000 0.948 226 R HN 0.588 nan 8.270 nan 0.000 0.417 227 G N 3.261 112.129 108.800 0.114 0.000 2.231 227 G HA2 -0.222 3.738 3.960 0.001 0.000 0.206 227 G HA3 -0.222 3.738 3.960 0.001 0.000 0.206 227 G C -0.326 174.510 174.900 -0.106 0.000 0.996 227 G CA -0.365 44.712 45.100 -0.037 0.000 0.645 227 G HN 0.496 nan 8.290 nan 0.000 0.498 228 F N 1.553 121.591 119.950 0.147 0.000 2.450 228 F HA 0.531 5.058 4.527 0.001 0.000 0.328 228 F C 0.645 176.536 175.800 0.151 0.000 1.068 228 F CA -0.815 57.305 58.000 0.199 0.000 1.007 228 F CB 0.885 40.046 39.000 0.270 0.000 1.251 228 F HN -0.024 nan 8.300 nan 0.000 0.492 229 D N 2.068 122.704 120.400 0.393 0.000 2.479 229 D HA -0.090 4.550 4.640 0.001 0.000 0.257 229 D C 0.830 177.185 176.300 0.092 0.000 1.230 229 D CA 0.196 54.289 54.000 0.156 0.000 0.912 229 D CB 0.937 41.723 40.800 -0.022 0.000 1.130 229 D HN 0.455 nan 8.370 nan 0.000 0.515 230 Q N 3.071 122.911 119.800 0.066 0.000 2.181 230 Q HA -0.177 4.164 4.340 0.001 0.000 0.205 230 Q C 1.303 177.285 176.000 -0.029 0.000 0.980 230 Q CA 1.103 56.925 55.803 0.032 0.000 0.862 230 Q CB -0.157 28.600 28.738 0.031 0.000 0.905 230 Q HN 0.668 nan 8.270 nan 0.000 0.429 231 D N -0.054 120.317 120.400 -0.048 0.000 2.104 231 D HA -0.159 4.482 4.640 0.001 0.000 0.194 231 D C 1.722 177.949 176.300 -0.122 0.000 0.994 231 D CA 1.188 55.142 54.000 -0.077 0.000 0.830 231 D CB 0.119 40.885 40.800 -0.057 0.000 0.959 231 D HN 0.027 nan 8.370 nan 0.000 0.452 232 M N 0.705 120.210 119.600 -0.158 0.000 2.067 232 M HA -0.043 4.438 4.480 0.001 0.000 0.260 232 M C 2.518 178.645 176.300 -0.288 0.000 1.069 232 M CA 1.484 56.604 55.300 -0.300 0.000 1.117 232 M CB -1.663 30.569 32.600 -0.614 0.000 1.334 232 M HN 0.147 nan 8.290 nan 0.000 0.407 233 A N 1.297 123.997 122.820 -0.200 0.000 1.915 233 A HA -0.257 4.064 4.320 0.001 0.000 0.220 233 A C 2.025 179.546 177.584 -0.105 0.000 1.198 233 A CA 2.330 54.296 52.037 -0.118 0.000 0.647 233 A CB -1.043 17.953 19.000 -0.007 0.000 0.825 233 A HN 0.572 nan 8.150 nan 0.000 0.456 234 N N -0.181 118.458 118.700 -0.102 0.000 2.120 234 N HA -0.129 4.612 4.740 0.001 0.000 0.188 234 N C 1.628 177.072 175.510 -0.109 0.000 1.024 234 N CA 1.595 54.580 53.050 -0.109 0.000 0.852 234 N CB -0.388 38.040 38.487 -0.097 0.000 1.003 234 N HN 0.610 nan 8.380 nan 0.000 0.424 235 K N 0.730 121.061 120.400 -0.116 0.000 2.057 235 K HA 0.004 4.324 4.320 0.001 0.000 0.207 235 K C 2.111 178.697 176.600 -0.022 0.000 1.049 235 K CA 0.743 56.979 56.287 -0.084 0.000 0.931 235 K CB -0.116 32.307 32.500 -0.128 0.000 0.714 235 K HN 0.166 nan 8.250 nan 0.000 0.440 236 I N 0.528 121.065 120.570 -0.055 0.000 2.226 236 I HA -0.214 3.957 4.170 0.001 0.000 0.245 236 I C 2.489 178.641 176.117 0.058 0.000 1.100 236 I CA 1.412 62.715 61.300 0.005 0.000 1.374 236 I CB -0.629 37.345 38.000 -0.043 0.000 1.057 236 I HN 0.301 nan 8.210 nan 0.000 0.413 237 G N 0.204 108.983 108.800 -0.036 0.000 2.404 237 G HA2 -0.212 3.748 3.960 0.001 0.000 0.215 237 G HA3 -0.212 3.748 3.960 0.001 0.000 0.215 237 G C 1.510 176.336 174.900 -0.124 0.000 1.174 237 G CA 0.477 45.490 45.100 -0.146 0.000 0.780 237 G HN 0.384 nan 8.290 nan 0.000 0.537 238 E N -0.508 119.642 120.200 -0.083 0.000 2.085 238 E HA -0.198 4.152 4.350 0.001 0.000 0.194 238 E C 2.185 178.824 176.600 0.064 0.000 0.994 238 E CA 0.907 57.284 56.400 -0.038 0.000 0.801 238 E CB -0.293 29.387 29.700 -0.033 0.000 0.743 238 E HN 0.541 nan 8.360 nan 0.000 0.453 239 H N 0.575 119.680 119.070 0.059 0.000 2.321 239 H HA -0.103 4.454 4.556 0.001 0.000 0.300 239 H C 2.124 177.604 175.328 0.252 0.000 1.087 239 H CA 1.554 57.699 56.048 0.162 0.000 1.319 239 H CB 0.002 29.842 29.762 0.130 0.000 1.379 239 H HN 0.158 nan 8.280 nan 0.000 0.501 240 M N 0.291 120.054 119.600 0.272 0.000 2.080 240 M HA -0.177 4.304 4.480 0.001 0.000 0.260 240 M C 2.481 178.944 176.300 0.273 0.000 1.068 240 M CA 1.883 57.356 55.300 0.287 0.000 1.109 240 M CB -0.271 32.567 32.600 0.395 0.000 1.342 240 M HN 0.324 nan 8.290 nan 0.000 0.405 241 E N 0.647 121.000 120.200 0.256 0.000 2.051 241 E HA -0.215 4.136 4.350 0.001 0.000 0.192 241 E C 1.675 178.317 176.600 0.069 0.000 0.991 241 E CA 1.292 57.817 56.400 0.208 0.000 0.799 241 E CB 0.028 29.781 29.700 0.089 0.000 0.748 241 E HN 0.463 nan 8.360 nan 0.000 0.449 242 E N -0.926 119.268 120.200 -0.010 0.000 2.333 242 E HA -0.206 4.145 4.350 0.001 0.000 0.200 242 E C 1.050 177.465 176.600 -0.309 0.000 1.010 242 E CA 0.976 57.283 56.400 -0.155 0.000 0.841 242 E CB -0.047 29.529 29.700 -0.207 0.000 0.757 242 E HN 0.438 nan 8.360 nan 0.000 0.508 243 H N -2.353 116.651 119.070 -0.111 0.000 2.652 243 H HA 0.216 4.773 4.556 0.001 0.000 0.274 243 H C 1.029 176.337 175.328 -0.032 0.000 1.021 243 H CA 0.484 56.473 56.048 -0.098 0.000 1.187 243 H CB 1.514 31.189 29.762 -0.146 0.000 1.505 243 H HN 0.235 nan 8.280 nan 0.000 0.530 244 G N 0.325 109.165 108.800 0.067 0.000 2.380 244 G HA2 -0.203 3.757 3.960 0.001 0.000 0.197 244 G HA3 -0.203 3.757 3.960 0.001 0.000 0.197 244 G C 0.170 175.097 174.900 0.044 0.000 1.001 244 G CA -0.304 44.825 45.100 0.048 0.000 0.668 244 G HN 0.193 nan 8.290 nan 0.000 0.483 245 I N 2.709 123.319 120.570 0.066 0.000 2.517 245 I HA 0.199 4.369 4.170 0.001 0.000 0.285 245 I C 0.557 176.666 176.117 -0.013 0.000 1.106 245 I CA 0.181 61.467 61.300 -0.024 0.000 1.402 245 I CB 0.693 38.667 38.000 -0.042 0.000 1.399 245 I HN 0.050 nan 8.210 nan 0.000 0.535 246 K N 6.576 126.916 120.400 -0.100 0.000 2.174 246 K HA 0.521 4.842 4.320 0.001 0.000 0.275 246 K C -1.065 175.430 176.600 -0.174 0.000 1.015 246 K CA -0.343 55.932 56.287 -0.020 0.000 0.933 246 K CB 1.063 33.560 32.500 -0.005 0.000 1.025 246 K HN 0.240 nan 8.250 nan 0.000 0.463 247 F N 1.913 121.866 119.950 0.005 0.000 2.495 247 F HA 0.444 4.971 4.527 0.001 0.000 0.327 247 F C 0.082 175.892 175.800 0.015 0.000 1.103 247 F CA -0.874 57.132 58.000 0.011 0.000 0.949 247 F CB 1.266 40.277 39.000 0.018 0.000 1.142 247 F HN 0.226 nan 8.300 nan 0.000 0.457 248 I N 3.962 124.638 120.570 0.176 0.000 2.382 248 I HA 0.394 4.564 4.170 0.001 0.000 0.285 248 I C -0.558 175.697 176.117 0.230 0.000 1.007 248 I CA -0.708 60.662 61.300 0.117 0.000 1.142 248 I CB 1.256 39.258 38.000 0.004 0.000 1.289 248 I HN 0.498 nan 8.210 nan 0.000 0.453 249 R N 5.167 125.827 120.500 0.265 0.000 2.357 249 R HA 0.424 4.765 4.340 0.001 0.000 0.296 249 R C -0.356 176.159 176.300 0.358 0.000 1.052 249 R CA -0.634 55.627 56.100 0.269 0.000 0.988 249 R CB 0.443 30.850 30.300 0.177 0.000 1.025 249 R HN 0.416 nan 8.270 nan 0.000 0.469 250 Q N 0.533 120.452 119.800 0.198 0.000 2.453 250 Q HA -0.205 4.135 4.340 0.001 0.000 0.330 250 Q C -1.545 174.360 176.000 -0.158 0.000 1.417 250 Q CA 1.042 56.862 55.803 0.028 0.000 0.902 250 Q CB -1.365 27.329 28.738 -0.073 0.000 1.154 250 Q HN 0.447 nan 8.270 nan 0.000 0.395 251 F N -1.458 118.519 119.950 0.045 0.000 2.581 251 F HA 0.707 5.234 4.527 0.001 0.000 0.311 251 F C -0.114 175.710 175.800 0.039 0.000 1.113 251 F CA -1.048 56.977 58.000 0.042 0.000 0.935 251 F CB 1.847 40.875 39.000 0.047 0.000 1.232 251 F HN -0.139 nan 8.300 nan 0.000 0.445 252 V N 4.038 124.056 119.914 0.174 0.000 2.588 252 V HA 0.480 4.600 4.120 0.001 0.000 0.304 252 V C -2.339 173.834 176.094 0.132 0.000 1.042 252 V CA -2.304 60.068 62.300 0.120 0.000 0.877 252 V CB 2.420 34.281 31.823 0.063 0.000 0.996 252 V HN 0.458 nan 8.190 nan 0.000 0.425 253 P HA 0.265 nan 4.420 nan 0.000 0.268 253 P C 0.515 177.872 177.300 0.095 0.000 1.204 253 P CA 0.189 63.354 63.100 0.109 0.000 0.768 253 P CB 0.494 32.251 31.700 0.095 0.000 0.842 254 I N -0.615 120.011 120.570 0.094 0.000 4.433 254 I HA 0.413 4.584 4.170 0.001 0.000 0.322 254 I C 0.456 176.620 176.117 0.078 0.000 1.284 254 I CA 0.207 61.554 61.300 0.079 0.000 1.269 254 I CB 0.370 38.413 38.000 0.072 0.000 1.219 254 I HN 0.109 nan 8.210 nan 0.000 0.436 255 K N 1.565 122.016 120.400 0.085 0.000 2.557 255 K HA 0.642 4.963 4.320 0.001 0.000 0.261 255 K C -1.872 174.787 176.600 0.098 0.000 0.932 255 K CA -0.540 55.800 56.287 0.087 0.000 0.829 255 K CB 3.469 36.011 32.500 0.070 0.000 1.358 255 K HN -0.063 nan 8.250 nan 0.000 0.430 256 V N 2.808 122.796 119.914 0.124 0.000 2.482 256 V HA 0.392 4.512 4.120 0.001 0.000 0.295 256 V C -0.714 175.461 176.094 0.135 0.000 1.026 256 V CA -0.854 61.528 62.300 0.136 0.000 0.856 256 V CB 1.467 33.404 31.823 0.189 0.000 1.001 256 V HN 0.757 nan 8.190 nan 0.000 0.424 257 E N 2.422 122.631 120.200 0.015 0.000 2.221 257 E HA 0.390 4.740 4.350 0.001 0.000 0.268 257 E C -0.697 175.707 176.600 -0.327 0.000 0.933 257 E CA -0.778 55.562 56.400 -0.101 0.000 0.809 257 E CB 2.456 32.123 29.700 -0.054 0.000 1.190 257 E HN 0.636 nan 8.360 nan 0.000 0.406 258 Q N 3.260 122.702 119.800 -0.597 0.000 2.553 258 Q HA 0.139 4.480 4.340 0.001 0.000 0.221 258 Q C 0.415 176.234 176.000 -0.302 0.000 1.219 258 Q CA -0.131 55.274 55.803 -0.663 0.000 0.955 258 Q CB 0.083 28.214 28.738 -1.012 0.000 1.399 258 Q HN 0.631 nan 8.270 nan 0.000 0.551 259 I N 2.141 122.585 120.570 -0.209 0.000 3.294 259 I HA -0.089 4.082 4.170 0.001 0.000 0.287 259 I C 0.550 176.600 176.117 -0.113 0.000 1.328 259 I CA 0.809 62.031 61.300 -0.132 0.000 1.375 259 I CB -0.476 37.461 38.000 -0.105 0.000 1.045 259 I HN 0.655 nan 8.210 nan 0.000 0.522 260 E N -0.074 120.046 120.200 -0.134 0.000 2.553 260 E HA 0.375 4.725 4.350 0.001 0.000 0.296 260 E C -1.809 174.736 176.600 -0.093 0.000 1.233 260 E CA -0.258 56.086 56.400 -0.094 0.000 1.103 260 E CB 0.179 29.834 29.700 -0.074 0.000 1.142 260 E HN 0.021 nan 8.360 nan 0.000 0.407 261 A N 1.052 123.837 122.820 -0.060 0.000 2.261 261 A HA 1.044 5.365 4.320 0.001 0.000 0.323 261 A C 0.469 178.011 177.584 -0.069 0.000 1.107 261 A CA 0.238 52.249 52.037 -0.043 0.000 0.883 261 A CB 1.220 20.215 19.000 -0.007 0.000 1.251 261 A HN 1.503 nan 8.150 nan 0.000 0.502 262 G N -1.829 106.914 108.800 -0.094 0.000 2.347 262 G HA2 0.437 4.398 3.960 0.001 0.000 0.477 262 G HA3 0.437 4.398 3.960 0.001 0.000 0.477 262 G C 0.303 175.026 174.900 -0.295 0.000 1.349 262 G CA 0.581 45.595 45.100 -0.144 0.000 1.000 262 G HN 1.772 nan 8.290 nan 0.000 0.605 263 T N -1.172 113.148 114.554 -0.389 0.000 2.456 263 T HA 0.101 4.452 4.350 0.001 0.000 0.235 263 T C -1.576 172.517 174.700 -1.011 0.000 1.299 263 T CA 1.429 62.983 62.100 -0.909 0.000 1.429 263 T CB -1.105 67.474 68.868 -0.483 0.000 0.916 263 T HN 0.445 nan 8.240 nan 0.000 0.387 264 P HA 0.340 nan 4.420 nan 0.000 0.271 264 P C 0.473 177.684 177.300 -0.149 0.000 1.380 264 P CA -0.126 62.881 63.100 -0.156 0.000 0.992 264 P CB 0.424 32.136 31.700 0.018 0.000 1.230 265 G N 3.407 112.114 108.800 -0.155 0.000 2.529 265 G HA2 0.216 4.177 3.960 0.001 0.000 0.234 265 G HA3 0.216 4.177 3.960 0.001 0.000 0.234 265 G C -0.577 174.287 174.900 -0.060 0.000 1.527 265 G CA -0.337 44.702 45.100 -0.103 0.000 1.062 265 G HN 0.415 nan 8.290 nan 0.000 0.558 266 R N -1.187 119.273 120.500 -0.065 0.000 2.531 266 R HA 0.459 4.800 4.340 0.001 0.000 0.293 266 R C -1.767 174.483 176.300 -0.083 0.000 1.124 266 R CA -0.549 55.515 56.100 -0.059 0.000 0.945 266 R CB 0.901 31.161 30.300 -0.066 0.000 1.195 266 R HN 0.252 nan 8.270 nan 0.000 0.433 267 L N 2.661 123.854 121.223 -0.051 0.000 2.333 267 L HA 0.617 4.958 4.340 0.001 0.000 0.269 267 L C -0.210 176.634 176.870 -0.044 0.000 1.010 267 L CA -0.617 54.181 54.840 -0.070 0.000 0.818 267 L CB 1.832 43.887 42.059 -0.006 0.000 1.306 267 L HN 0.450 nan 8.230 nan 0.000 0.430 268 R N 0.631 121.096 120.500 -0.060 0.000 2.480 268 R HA 0.770 5.111 4.340 0.001 0.000 0.306 268 R C -1.495 174.807 176.300 0.004 0.000 0.958 268 R CA -0.563 55.508 56.100 -0.049 0.000 0.861 268 R CB 1.778 32.035 30.300 -0.072 0.000 1.171 268 R HN 0.447 nan 8.270 nan 0.000 0.445 269 V N 4.443 124.383 119.914 0.043 0.000 2.617 269 V HA 0.334 4.454 4.120 0.001 0.000 0.298 269 V C -0.215 175.912 176.094 0.056 0.000 1.048 269 V CA -0.724 61.627 62.300 0.086 0.000 0.964 269 V CB 1.940 33.861 31.823 0.163 0.000 1.004 269 V HN 0.459 nan 8.190 nan 0.000 0.466 270 V N 3.933 123.887 119.914 0.067 0.000 2.294 270 V HA 0.578 4.698 4.120 0.001 0.000 0.272 270 V C 0.471 176.620 176.094 0.092 0.000 1.027 270 V CA -0.493 61.844 62.300 0.062 0.000 0.823 270 V CB 1.017 32.875 31.823 0.058 0.000 1.030 270 V HN 0.945 nan 8.190 nan 0.000 0.457 271 A N 4.823 127.702 122.820 0.098 0.000 2.252 271 A HA 0.547 4.868 4.320 0.001 0.000 0.309 271 A C -0.081 177.662 177.584 0.266 0.000 1.285 271 A CA -0.373 51.764 52.037 0.168 0.000 0.900 271 A CB 0.608 19.677 19.000 0.115 0.000 1.157 271 A HN 0.725 nan 8.150 nan 0.000 0.536 272 Q N 2.410 122.364 119.800 0.256 0.000 2.241 272 Q HA 0.375 4.716 4.340 0.001 0.000 0.254 272 Q C 0.405 176.503 176.000 0.164 0.000 0.917 272 Q CA -0.236 55.694 55.803 0.211 0.000 0.919 272 Q CB 1.350 30.147 28.738 0.099 0.000 1.237 272 Q HN 0.815 nan 8.270 nan 0.000 0.434 273 S N 1.732 117.405 115.700 -0.044 0.000 2.589 273 S HA 0.006 4.476 4.470 0.001 0.000 0.256 273 S C 0.753 175.071 174.600 -0.471 0.000 1.383 273 S CA 0.540 58.237 58.200 -0.837 0.000 0.983 273 S CB 0.566 63.361 63.200 -0.675 0.000 0.908 273 S HN 0.770 nan 8.310 nan 0.000 0.572 274 T N 2.079 116.311 114.554 -0.538 0.000 3.234 274 T HA 0.043 4.393 4.350 0.001 0.000 0.235 274 T C 1.755 176.348 174.700 -0.179 0.000 0.971 274 T CA 0.416 62.363 62.100 -0.255 0.000 1.292 274 T CB -0.506 68.241 68.868 -0.201 0.000 0.994 274 T HN 0.780 nan 8.240 nan 0.000 0.412 275 N N 2.883 121.473 118.700 -0.184 0.000 2.105 275 N HA -0.041 4.700 4.740 0.001 0.000 0.190 275 N C 1.564 177.013 175.510 -0.101 0.000 1.066 275 N CA 1.242 54.226 53.050 -0.111 0.000 0.861 275 N CB -1.202 37.233 38.487 -0.086 0.000 1.048 275 N HN 0.459 nan 8.380 nan 0.000 0.442 276 S N 0.267 115.905 115.700 -0.104 0.000 2.700 276 S HA -0.041 4.429 4.470 0.001 0.000 0.250 276 S C 0.878 175.435 174.600 -0.071 0.000 1.355 276 S CA -0.123 58.036 58.200 -0.068 0.000 0.970 276 S CB 0.205 63.378 63.200 -0.045 0.000 0.975 276 S HN 0.447 nan 8.310 nan 0.000 0.563 277 E N 0.082 120.261 120.200 -0.036 0.000 2.501 277 E HA 0.195 4.546 4.350 0.001 0.000 0.201 277 E C 0.701 177.304 176.600 0.005 0.000 1.016 277 E CA -0.202 56.187 56.400 -0.019 0.000 0.920 277 E CB 0.025 29.723 29.700 -0.004 0.000 1.023 277 E HN 0.703 nan 8.360 nan 0.000 0.474 278 E N 0.173 120.382 120.200 0.015 0.000 2.821 278 E HA 0.019 4.369 4.350 0.001 0.000 0.293 278 E C -0.221 176.471 176.600 0.153 0.000 1.464 278 E CA 0.584 57.042 56.400 0.098 0.000 1.387 278 E CB 0.503 30.308 29.700 0.176 0.000 0.942 278 E HN 0.067 nan 8.360 nan 0.000 0.584 279 I N 0.736 121.458 120.570 0.253 0.000 2.718 279 I HA 0.188 4.358 4.170 0.001 0.000 0.287 279 I C -1.151 175.070 176.117 0.172 0.000 1.645 279 I CA -0.486 60.959 61.300 0.243 0.000 1.030 279 I CB 1.263 39.337 38.000 0.124 0.000 1.470 279 I HN 0.481 nan 8.210 nan 0.000 0.455 280 I N 2.288 122.929 120.570 0.119 0.000 2.969 280 I HA 0.690 4.861 4.170 0.001 0.000 0.307 280 I C -0.778 175.317 176.117 -0.036 0.000 1.149 280 I CA -0.772 60.503 61.300 -0.042 0.000 1.008 280 I CB 2.148 39.979 38.000 -0.282 0.000 1.232 280 I HN 0.485 nan 8.210 nan 0.000 0.435 281 E N 2.430 122.590 120.200 -0.065 0.000 2.283 281 E HA 0.771 5.122 4.350 0.001 0.000 0.267 281 E C -0.307 176.230 176.600 -0.106 0.000 1.045 281 E CA -0.715 55.645 56.400 -0.067 0.000 0.884 281 E CB 1.514 31.169 29.700 -0.076 0.000 1.106 281 E HN 0.962 nan 8.360 nan 0.000 0.408 282 G N 0.657 109.386 108.800 -0.118 0.000 2.719 282 G HA2 0.400 4.361 3.960 0.001 0.000 0.284 282 G HA3 0.400 4.361 3.960 0.001 0.000 0.284 282 G C -1.523 173.168 174.900 -0.349 0.000 1.488 282 G CA -0.862 44.100 45.100 -0.230 0.000 1.139 282 G HN 0.539 nan 8.290 nan 0.000 0.552 283 E N 2.272 122.092 120.200 -0.634 0.000 2.121 283 E HA 0.592 4.942 4.350 0.001 0.000 0.255 283 E C -1.421 174.829 176.600 -0.583 0.000 0.906 283 E CA -0.612 55.516 56.400 -0.454 0.000 0.745 283 E CB 0.333 29.851 29.700 -0.303 0.000 1.155 283 E HN 0.487 nan 8.360 nan 0.000 0.424 284 Y N 2.263 122.536 120.300 -0.045 0.000 2.545 284 Y HA 0.375 4.926 4.550 0.001 0.000 0.348 284 Y C 1.063 176.940 175.900 -0.038 0.000 1.002 284 Y CA -1.221 56.853 58.100 -0.043 0.000 1.039 284 Y CB 1.720 40.155 38.460 -0.042 0.000 1.271 284 Y HN 0.335 nan 8.280 nan 0.000 0.467 285 N N -0.014 118.772 118.700 0.143 0.000 2.173 285 N HA -0.006 4.734 4.740 0.001 0.000 0.184 285 N C -0.032 175.528 175.510 0.084 0.000 1.025 285 N CA 1.119 54.211 53.050 0.070 0.000 0.852 285 N CB 0.162 38.675 38.487 0.043 0.000 0.998 285 N HN 0.526 nan 8.380 nan 0.000 0.427 286 T N 0.622 115.217 114.554 0.068 0.000 2.908 286 T HA 0.561 4.912 4.350 0.001 0.000 0.290 286 T C -0.656 174.039 174.700 -0.008 0.000 1.034 286 T CA -0.525 61.602 62.100 0.045 0.000 1.010 286 T CB 2.906 71.768 68.868 -0.010 0.000 1.068 286 T HN -0.308 nan 8.240 nan 0.000 0.481 287 V N 3.257 123.174 119.914 0.005 0.000 2.462 287 V HA 0.411 4.532 4.120 0.001 0.000 0.288 287 V C -0.412 175.654 176.094 -0.048 0.000 1.020 287 V CA -0.730 61.547 62.300 -0.038 0.000 0.857 287 V CB 1.470 33.314 31.823 0.035 0.000 1.013 287 V HN 0.901 nan 8.190 nan 0.000 0.431 288 M N 5.879 125.412 119.600 -0.111 0.000 2.084 288 M HA 0.484 4.964 4.480 0.001 0.000 0.351 288 M C -0.649 175.571 176.300 -0.134 0.000 1.240 288 M CA -0.369 54.856 55.300 -0.124 0.000 1.083 288 M CB 0.697 33.203 32.600 -0.157 0.000 1.593 288 M HN 0.544 nan 8.290 nan 0.000 0.463 289 L N 5.870 126.997 121.223 -0.159 0.000 2.536 289 L HA 0.318 4.658 4.340 0.001 0.000 0.242 289 L C 0.299 177.049 176.870 -0.199 0.000 1.280 289 L CA -0.506 54.217 54.840 -0.195 0.000 1.221 289 L CB -0.271 41.589 42.059 -0.331 0.000 1.449 289 L HN 0.843 nan 8.230 nan 0.000 0.405 290 A N 3.304 126.034 122.820 -0.149 0.000 2.922 290 A HA 0.423 4.744 4.320 0.001 0.000 0.298 290 A C 0.630 178.152 177.584 -0.102 0.000 1.588 290 A CA -0.205 51.754 52.037 -0.131 0.000 1.288 290 A CB -0.667 18.257 19.000 -0.127 0.000 1.130 290 A HN 0.719 nan 8.150 nan 0.000 0.557 291 I N -1.100 119.411 120.570 -0.098 0.000 3.171 291 I HA 0.642 4.813 4.170 0.001 0.000 0.329 291 I C 0.320 176.415 176.117 -0.037 0.000 1.522 291 I CA 0.241 61.507 61.300 -0.056 0.000 0.948 291 I CB 0.278 38.253 38.000 -0.042 0.000 1.527 291 I HN 0.824 nan 8.210 nan 0.000 0.547 292 G N 1.629 110.401 108.800 -0.045 0.000 2.612 292 G HA2 0.006 3.967 3.960 0.001 0.000 0.686 292 G HA3 0.006 3.967 3.960 0.001 0.000 0.686 292 G C -1.066 173.830 174.900 -0.007 0.000 1.274 292 G CA -1.015 44.075 45.100 -0.017 0.000 0.849 292 G HN 0.555 nan 8.290 nan 0.000 0.595 293 R N 0.126 120.638 120.500 0.020 0.000 2.744 293 R HA 0.624 4.964 4.340 0.001 0.000 0.279 293 R C -1.643 174.690 176.300 0.055 0.000 0.977 293 R CA -1.115 55.010 56.100 0.042 0.000 0.906 293 R CB 2.219 32.550 30.300 0.051 0.000 1.197 293 R HN 0.473 nan 8.270 nan 0.000 0.463 294 D N 1.435 121.875 120.400 0.067 0.000 2.308 294 D HA 0.261 4.901 4.640 0.001 0.000 0.242 294 D C -0.134 176.209 176.300 0.070 0.000 1.059 294 D CA -0.378 53.662 54.000 0.066 0.000 0.830 294 D CB 2.040 42.882 40.800 0.070 0.000 1.161 294 D HN 0.622 nan 8.370 nan 0.000 0.494 295 A N 1.589 124.446 122.820 0.062 0.000 2.561 295 A HA -0.008 4.312 4.320 0.001 0.000 0.234 295 A C 0.552 178.175 177.584 0.065 0.000 1.055 295 A CA -0.012 52.062 52.037 0.062 0.000 0.756 295 A CB 0.052 19.083 19.000 0.052 0.000 0.986 295 A HN 0.754 nan 8.150 nan 0.000 0.505 296 C N 2.898 122.238 119.300 0.067 0.000 2.700 296 C HA 0.368 4.829 4.460 0.001 0.000 0.529 296 C C 1.751 176.776 174.990 0.059 0.000 1.093 296 C CA 0.301 59.361 59.018 0.070 0.000 1.320 296 C CB -2.133 25.648 27.740 0.067 0.000 1.478 296 C HN 0.932 nan 8.230 nan 0.000 0.598 297 T N -2.710 111.880 114.554 0.060 0.000 3.004 297 T HA 0.068 4.419 4.350 0.001 0.000 0.266 297 T C 1.683 176.421 174.700 0.064 0.000 0.986 297 T CA -0.249 61.887 62.100 0.059 0.000 0.902 297 T CB 0.090 68.987 68.868 0.049 0.000 1.118 297 T HN 0.537 nan 8.240 nan 0.000 0.522 298 R N 2.489 123.027 120.500 0.064 0.000 2.051 298 R HA 0.171 4.511 4.340 0.001 0.000 0.225 298 R C 0.873 177.216 176.300 0.072 0.000 1.155 298 R CA 0.693 56.828 56.100 0.058 0.000 0.945 298 R CB -0.508 29.822 30.300 0.050 0.000 0.840 298 R HN 0.304 nan 8.270 nan 0.000 0.432 299 K N 2.161 122.613 120.400 0.088 0.000 3.006 299 K HA 0.159 4.479 4.320 0.001 0.000 0.265 299 K C 0.933 177.639 176.600 0.176 0.000 1.279 299 K CA 0.104 56.454 56.287 0.105 0.000 1.229 299 K CB -0.164 32.383 32.500 0.079 0.000 1.555 299 K HN 0.449 nan 8.250 nan 0.000 0.300 300 I N -4.237 116.421 120.570 0.148 0.000 4.219 300 I HA 0.290 4.460 4.170 0.001 0.000 0.329 300 I C 0.489 176.713 176.117 0.178 0.000 1.427 300 I CA -0.566 60.828 61.300 0.157 0.000 1.151 300 I CB 0.803 38.854 38.000 0.084 0.000 1.369 300 I HN 0.253 nan 8.210 nan 0.000 0.521 301 G N 2.733 111.625 108.800 0.154 0.000 2.314 301 G HA2 -0.259 3.702 3.960 0.001 0.000 0.292 301 G HA3 -0.259 3.702 3.960 0.001 0.000 0.292 301 G C 0.461 175.467 174.900 0.177 0.000 1.059 301 G CA 0.549 45.742 45.100 0.156 0.000 0.982 301 G HN 0.500 nan 8.290 nan 0.000 0.505 302 L N -0.867 120.433 121.223 0.129 0.000 2.362 302 L HA -0.024 4.317 4.340 0.001 0.000 0.219 302 L C 2.634 179.476 176.870 -0.047 0.000 1.134 302 L CA 1.698 56.565 54.840 0.046 0.000 0.807 302 L CB -0.150 41.930 42.059 0.035 0.000 0.927 302 L HN 0.495 nan 8.230 nan 0.000 0.447 303 E N -0.726 119.470 120.200 -0.007 0.000 2.028 303 E HA -0.198 4.153 4.350 0.001 0.000 0.191 303 E C 2.085 178.662 176.600 -0.039 0.000 0.988 303 E CA 1.625 58.011 56.400 -0.024 0.000 0.799 303 E CB -0.957 28.743 29.700 0.000 0.000 0.755 303 E HN 0.411 nan 8.360 nan 0.000 0.447 304 T N -0.806 113.741 114.554 -0.011 0.000 2.896 304 T HA -0.166 4.185 4.350 0.001 0.000 0.270 304 T C 1.645 176.305 174.700 -0.067 0.000 1.104 304 T CA 1.494 63.590 62.100 -0.007 0.000 1.115 304 T CB -0.528 68.370 68.868 0.050 0.000 0.843 304 T HN 0.190 nan 8.240 nan 0.000 0.523 305 V N -3.907 115.900 119.914 -0.179 0.000 3.502 305 V HA 0.682 4.803 4.120 0.001 0.000 0.288 305 V C 1.400 177.355 176.094 -0.231 0.000 1.461 305 V CA -0.114 62.023 62.300 -0.272 0.000 1.029 305 V CB -0.643 30.761 31.823 -0.700 0.000 0.843 305 V HN 0.702 nan 8.190 nan 0.000 0.438 306 G N 1.139 109.835 108.800 -0.174 0.000 2.353 306 G HA2 -0.150 3.811 3.960 0.001 0.000 0.294 306 G HA3 -0.150 3.811 3.960 0.001 0.000 0.294 306 G C -0.250 174.550 174.900 -0.167 0.000 1.077 306 G CA 0.231 45.250 45.100 -0.134 0.000 1.098 306 G HN 0.853 nan 8.290 nan 0.000 0.511 307 V N 1.593 121.398 119.914 -0.181 0.000 2.370 307 V HA 0.461 4.581 4.120 0.001 0.000 0.283 307 V C 0.822 176.855 176.094 -0.102 0.000 1.023 307 V CA -0.340 61.857 62.300 -0.172 0.000 0.857 307 V CB 1.624 33.327 31.823 -0.201 0.000 0.985 307 V HN 0.720 nan 8.190 nan 0.000 0.443 308 K N 6.729 127.076 120.400 -0.088 0.000 2.298 308 K HA 0.711 5.032 4.320 0.001 0.000 0.280 308 K C -0.550 176.022 176.600 -0.046 0.000 1.032 308 K CA -0.334 55.917 56.287 -0.059 0.000 0.958 308 K CB 1.424 33.891 32.500 -0.054 0.000 0.978 308 K HN 0.736 nan 8.250 nan 0.000 0.472 309 I N -0.809 119.743 120.570 -0.029 0.000 2.969 309 I HA 0.309 4.479 4.170 0.001 0.000 0.307 309 I C -0.888 175.222 176.117 -0.012 0.000 1.149 309 I CA -1.104 60.185 61.300 -0.018 0.000 1.008 309 I CB 2.132 40.129 38.000 -0.005 0.000 1.232 309 I HN 0.683 nan 8.210 nan 0.000 0.435 310 N N 4.083 122.778 118.700 -0.009 0.000 2.454 310 N HA -0.044 4.696 4.740 0.001 0.000 0.285 310 N C 0.787 176.297 175.510 0.001 0.000 1.233 310 N CA 0.326 53.373 53.050 -0.006 0.000 1.036 310 N CB 0.307 38.791 38.487 -0.005 0.000 1.423 310 N HN 0.629 nan 8.380 nan 0.000 0.495 311 E N 1.952 122.152 120.200 -0.000 0.000 2.279 311 E HA -0.274 4.076 4.350 0.001 0.000 0.205 311 E C 1.308 177.914 176.600 0.009 0.000 1.028 311 E CA 1.091 57.494 56.400 0.005 0.000 0.830 311 E CB 0.184 29.885 29.700 0.002 0.000 0.736 311 E HN 0.685 nan 8.360 nan 0.000 0.478 312 K N 0.061 120.466 120.400 0.008 0.000 2.044 312 K HA -0.064 4.257 4.320 0.001 0.000 0.204 312 K C 2.076 178.685 176.600 0.016 0.000 1.045 312 K CA 1.681 57.974 56.287 0.011 0.000 0.951 312 K CB 0.037 32.542 32.500 0.008 0.000 0.738 312 K HN 0.187 nan 8.250 nan 0.000 0.443 313 T N -3.228 111.335 114.554 0.014 0.000 3.054 313 T HA 0.200 4.551 4.350 0.001 0.000 0.259 313 T C 1.483 176.198 174.700 0.024 0.000 1.092 313 T CA 0.743 62.855 62.100 0.019 0.000 1.121 313 T CB 0.301 69.178 68.868 0.015 0.000 0.912 313 T HN 0.476 nan 8.240 nan 0.000 0.489 314 G N 1.631 110.444 108.800 0.021 0.000 2.284 314 G HA2 -0.255 3.705 3.960 0.001 0.000 0.247 314 G HA3 -0.255 3.705 3.960 0.001 0.000 0.247 314 G C 0.218 175.132 174.900 0.024 0.000 1.012 314 G CA 0.008 45.123 45.100 0.026 0.000 0.618 314 G HN 0.577 nan 8.290 nan 0.000 0.521 315 K N 0.788 121.199 120.400 0.020 0.000 2.485 315 K HA 0.307 4.627 4.320 0.001 0.000 0.277 315 K C 0.640 177.244 176.600 0.006 0.000 0.990 315 K CA 0.148 56.445 56.287 0.016 0.000 0.994 315 K CB 0.689 33.195 32.500 0.010 0.000 0.906 315 K HN 0.443 nan 8.250 nan 0.000 0.488 316 I N 5.001 125.574 120.570 0.006 0.000 2.304 316 I HA 0.145 4.316 4.170 0.001 0.000 0.291 316 I C -2.075 174.029 176.117 -0.021 0.000 1.018 316 I CA -2.366 58.930 61.300 -0.006 0.000 1.260 316 I CB 1.305 39.307 38.000 0.004 0.000 1.390 316 I HN 0.176 nan 8.210 nan 0.000 0.475 317 P HA 0.136 nan 4.420 nan 0.000 0.268 317 P C -0.738 176.531 177.300 -0.051 0.000 1.205 317 P CA 0.015 63.089 63.100 -0.044 0.000 0.771 317 P CB 1.047 32.720 31.700 -0.044 0.000 0.858 318 V N 1.724 121.603 119.914 -0.058 0.000 3.087 318 V HA 0.394 4.515 4.120 0.001 0.000 0.306 318 V C 0.220 176.281 176.094 -0.055 0.000 1.187 318 V CA -0.463 61.805 62.300 -0.052 0.000 0.999 318 V CB 2.444 34.250 31.823 -0.028 0.000 1.049 318 V HN 0.718 nan 8.190 nan 0.000 0.431 319 T N 0.322 114.852 114.554 -0.041 0.000 2.667 319 T HA 0.105 4.455 4.350 0.001 0.000 0.305 319 T C 0.780 175.470 174.700 -0.017 0.000 1.022 319 T CA 0.530 62.613 62.100 -0.029 0.000 0.995 319 T CB 0.419 69.277 68.868 -0.017 0.000 1.026 319 T HN 0.874 nan 8.240 nan 0.000 0.527 320 D N -1.131 119.264 120.400 -0.008 0.000 2.358 320 D HA -0.006 4.635 4.640 0.001 0.000 0.241 320 D C 0.766 177.100 176.300 0.057 0.000 1.094 320 D CA 0.324 54.328 54.000 0.007 0.000 0.907 320 D CB -0.304 40.502 40.800 0.010 0.000 0.893 320 D HN 0.824 nan 8.370 nan 0.000 0.528 321 E N -0.124 120.118 120.200 0.070 0.000 2.812 321 E HA 0.070 4.421 4.350 0.001 0.000 0.211 321 E C -0.485 176.214 176.600 0.165 0.000 0.986 321 E CA -0.236 56.228 56.400 0.106 0.000 1.119 321 E CB 0.398 30.160 29.700 0.104 0.000 1.046 321 E HN 0.019 nan 8.360 nan 0.000 0.474 322 E N 0.838 121.122 120.200 0.140 0.000 2.791 322 E HA -0.246 4.104 4.350 0.001 0.000 0.271 322 E C -0.205 176.541 176.600 0.243 0.000 1.044 322 E CA 0.745 57.246 56.400 0.168 0.000 0.814 322 E CB -1.331 28.480 29.700 0.187 0.000 1.400 322 E HN 0.332 nan 8.360 nan 0.000 0.423 323 Q N 0.719 120.598 119.800 0.131 0.000 2.241 323 Q HA 0.445 4.785 4.340 0.001 0.000 0.254 323 Q C 0.474 176.362 176.000 -0.187 0.000 0.917 323 Q CA 0.068 55.782 55.803 -0.148 0.000 0.919 323 Q CB 0.988 29.611 28.738 -0.191 0.000 1.237 323 Q HN 0.279 nan 8.270 nan 0.000 0.434 324 T N 0.254 114.636 114.554 -0.287 0.000 2.793 324 T HA 0.108 4.459 4.350 0.001 0.000 0.299 324 T C 0.975 175.545 174.700 -0.216 0.000 1.038 324 T CA 0.188 62.163 62.100 -0.208 0.000 0.948 324 T CB 0.258 68.999 68.868 -0.212 0.000 1.231 324 T HN 0.813 nan 8.240 nan 0.000 0.538 325 N N -0.721 117.873 118.700 -0.176 0.000 2.381 325 N HA -0.022 4.718 4.740 0.001 0.000 0.182 325 N C 0.129 175.528 175.510 -0.184 0.000 1.025 325 N CA 0.287 53.248 53.050 -0.150 0.000 0.888 325 N CB -0.457 37.961 38.487 -0.116 0.000 0.965 325 N HN 0.361 nan 8.380 nan 0.000 0.438 326 V N 1.874 121.625 119.914 -0.272 0.000 2.334 326 V HA 0.202 4.322 4.120 0.001 0.000 0.267 326 V C -1.398 174.447 176.094 -0.416 0.000 1.040 326 V CA -1.465 60.624 62.300 -0.351 0.000 0.866 326 V CB 1.255 32.747 31.823 -0.552 0.000 1.019 326 V HN 0.006 nan 8.190 nan 0.000 0.468 327 P HA -0.208 nan 4.420 nan 0.000 0.218 327 P C 0.967 178.183 177.300 -0.139 0.000 1.150 327 P CA 1.729 64.732 63.100 -0.162 0.000 0.841 327 P CB -0.039 31.669 31.700 0.014 0.000 0.784 328 Y N -3.043 117.184 120.300 -0.122 0.000 2.457 328 Y HA 0.434 4.985 4.550 0.001 0.000 0.263 328 Y C 0.447 176.359 175.900 0.020 0.000 1.164 328 Y CA -0.846 57.244 58.100 -0.017 0.000 1.274 328 Y CB -0.545 37.878 38.460 -0.062 0.000 1.097 328 Y HN -0.191 nan 8.280 nan 0.000 0.523 329 I N 1.332 121.584 120.570 -0.529 0.000 2.406 329 I HA 0.352 4.523 4.170 0.001 0.000 0.290 329 I C -1.225 174.694 176.117 -0.330 0.000 0.999 329 I CA -0.936 60.187 61.300 -0.296 0.000 1.124 329 I CB 1.301 38.989 38.000 -0.519 0.000 1.289 329 I HN -0.033 nan 8.210 nan 0.000 0.441 330 Y N 3.791 124.101 120.300 0.017 0.000 2.630 330 Y HA 0.826 5.377 4.550 0.001 0.000 0.337 330 Y C 0.171 176.095 175.900 0.039 0.000 1.051 330 Y CA -0.972 57.137 58.100 0.015 0.000 1.121 330 Y CB 2.048 40.523 38.460 0.024 0.000 1.299 330 Y HN 0.562 nan 8.280 nan 0.000 0.498 331 A N 1.428 124.368 122.820 0.200 0.000 2.449 331 A HA 0.833 5.154 4.320 0.001 0.000 0.302 331 A C -1.814 175.845 177.584 0.126 0.000 1.048 331 A CA -0.516 51.600 52.037 0.131 0.000 0.708 331 A CB 1.263 20.309 19.000 0.077 0.000 1.274 331 A HN 0.569 nan 8.150 nan 0.000 0.410 332 I N 0.190 120.823 120.570 0.104 0.000 3.074 332 I HA 0.771 4.942 4.170 0.001 0.000 0.310 332 I C 0.711 176.881 176.117 0.088 0.000 1.153 332 I CA 1.022 62.383 61.300 0.102 0.000 0.993 332 I CB 2.196 40.245 38.000 0.081 0.000 1.237 332 I HN 1.832 nan 8.210 nan 0.000 0.443 333 G N 3.490 112.351 108.800 0.102 0.000 2.642 333 G HA2 -0.230 3.731 3.960 0.001 0.000 0.231 333 G HA3 -0.230 3.731 3.960 0.001 0.000 0.231 333 G C 0.310 175.265 174.900 0.093 0.000 1.338 333 G CA 0.217 45.370 45.100 0.088 0.000 0.883 333 G HN 0.607 nan 8.290 nan 0.000 0.570 334 D N 0.152 120.601 120.400 0.081 0.000 2.157 334 D HA -0.211 4.429 4.640 0.001 0.000 0.191 334 D C 2.563 178.905 176.300 0.070 0.000 1.004 334 D CA 2.246 56.294 54.000 0.081 0.000 0.854 334 D CB -0.430 40.418 40.800 0.080 0.000 0.936 334 D HN 0.881 nan 8.370 nan 0.000 0.446 335 I N -1.434 119.174 120.570 0.063 0.000 2.502 335 I HA -0.168 4.003 4.170 0.001 0.000 0.258 335 I C 0.752 176.895 176.117 0.043 0.000 1.172 335 I CA 0.135 61.466 61.300 0.053 0.000 1.430 335 I CB -0.476 37.555 38.000 0.051 0.000 1.086 335 I HN -0.113 nan 8.210 nan 0.000 0.440 336 L N 1.774 123.026 121.223 0.048 0.000 2.492 336 L HA 0.075 4.416 4.340 0.001 0.000 0.280 336 L C 0.562 177.436 176.870 0.006 0.000 1.240 336 L CA 0.663 55.518 54.840 0.026 0.000 0.831 336 L CB -0.019 42.061 42.059 0.035 0.000 1.100 336 L HN 0.327 nan 8.230 nan 0.000 0.505 337 E N 0.842 121.029 120.200 -0.023 0.000 2.204 337 E HA 0.204 4.555 4.350 0.001 0.000 0.276 337 E C -0.822 175.743 176.600 -0.058 0.000 0.974 337 E CA -0.537 55.846 56.400 -0.029 0.000 0.815 337 E CB 0.599 30.281 29.700 -0.029 0.000 1.119 337 E HN 0.633 nan 8.360 nan 0.000 0.393 338 D N 2.516 122.891 120.400 -0.042 0.000 2.737 338 D HA -0.181 4.460 4.640 0.001 0.000 0.238 338 D C -0.933 175.311 176.300 -0.094 0.000 1.157 338 D CA 1.094 55.061 54.000 -0.055 0.000 0.694 338 D CB -0.148 40.615 40.800 -0.062 0.000 1.021 338 D HN 0.276 nan 8.370 nan 0.000 0.420 339 K N -0.932 119.436 120.400 -0.052 0.000 2.305 339 K HA 0.709 5.030 4.320 0.001 0.000 0.268 339 K C -0.817 175.836 176.600 0.089 0.000 1.034 339 K CA -0.767 55.503 56.287 -0.028 0.000 0.879 339 K CB 0.878 33.330 32.500 -0.081 0.000 1.506 339 K HN 0.029 nan 8.250 nan 0.000 0.425 340 V N 0.616 120.649 119.914 0.198 0.000 2.357 340 V HA 0.381 4.502 4.120 0.001 0.000 0.284 340 V C -0.701 175.470 176.094 0.129 0.000 1.018 340 V CA -0.409 61.971 62.300 0.133 0.000 0.841 340 V CB 0.989 32.877 31.823 0.108 0.000 0.991 340 V HN 0.545 nan 8.190 nan 0.000 0.437 341 E N 6.593 126.860 120.200 0.111 0.000 1.858 341 E HA 0.412 4.763 4.350 0.001 0.000 0.278 341 E C -0.626 176.043 176.600 0.114 0.000 1.172 341 E CA 0.530 56.999 56.400 0.115 0.000 1.127 341 E CB -0.220 29.555 29.700 0.125 0.000 1.084 341 E HN 0.741 nan 8.360 nan 0.000 0.455 342 L N 0.824 122.096 121.223 0.082 0.000 2.431 342 L HA 0.255 4.596 4.340 0.001 0.000 0.266 342 L C 1.332 178.223 176.870 0.034 0.000 0.978 342 L CA -0.580 54.294 54.840 0.057 0.000 0.822 342 L CB 2.086 44.160 42.059 0.026 0.000 1.310 342 L HN 0.241 nan 8.230 nan 0.000 0.409 343 T N 1.913 116.486 114.554 0.031 0.000 2.624 343 T HA -0.138 4.212 4.350 0.001 0.000 0.268 343 T C -1.052 173.646 174.700 -0.004 0.000 1.041 343 T CA 1.975 64.082 62.100 0.013 0.000 1.159 343 T CB -0.612 68.261 68.868 0.008 0.000 0.863 343 T HN 0.495 nan 8.240 nan 0.000 0.434 344 P HA -0.066 nan 4.420 nan 0.000 0.218 344 P C 1.788 179.056 177.300 -0.053 0.000 1.148 344 P CA 0.865 63.948 63.100 -0.029 0.000 0.822 344 P CB -0.316 31.364 31.700 -0.032 0.000 0.784 345 V N -2.542 117.335 119.914 -0.061 0.000 2.488 345 V HA -0.034 4.086 4.120 0.001 0.000 0.246 345 V C 2.162 178.206 176.094 -0.084 0.000 1.046 345 V CA 1.639 63.867 62.300 -0.120 0.000 1.053 345 V CB -1.786 29.950 31.823 -0.145 0.000 0.679 345 V HN 0.034 nan 8.190 nan 0.000 0.458 346 A N 2.041 124.848 122.820 -0.022 0.000 1.908 346 A HA -0.152 4.169 4.320 0.001 0.000 0.218 346 A C 2.255 179.832 177.584 -0.012 0.000 1.181 346 A CA 2.411 54.450 52.037 0.004 0.000 0.627 346 A CB -0.819 18.192 19.000 0.018 0.000 0.818 346 A HN 0.947 nan 8.150 nan 0.000 0.445 347 I N -3.461 117.096 120.570 -0.022 0.000 2.315 347 I HA -0.223 3.948 4.170 0.001 0.000 0.248 347 I C 2.209 178.308 176.117 -0.030 0.000 1.117 347 I CA 1.700 62.989 61.300 -0.018 0.000 1.404 347 I CB -0.598 37.395 38.000 -0.012 0.000 1.071 347 I HN 0.226 nan 8.210 nan 0.000 0.419 348 Q N 1.655 121.420 119.800 -0.059 0.000 2.046 348 Q HA -0.141 4.199 4.340 0.001 0.000 0.200 348 Q C 2.584 178.545 176.000 -0.066 0.000 0.975 348 Q CA 2.073 57.830 55.803 -0.076 0.000 0.836 348 Q CB -0.309 28.352 28.738 -0.128 0.000 0.896 348 Q HN 0.718 nan 8.270 nan 0.000 0.428 349 A N 0.892 123.667 122.820 -0.075 0.000 1.892 349 A HA -0.165 4.156 4.320 0.001 0.000 0.218 349 A C 2.311 179.896 177.584 0.001 0.000 1.188 349 A CA 2.051 54.078 52.037 -0.017 0.000 0.631 349 A CB -1.262 17.767 19.000 0.048 0.000 0.822 349 A HN 0.489 nan 8.150 nan 0.000 0.447 350 G N -0.671 108.129 108.800 0.001 0.000 2.459 350 G HA2 -0.242 3.719 3.960 0.001 0.000 0.217 350 G HA3 -0.242 3.719 3.960 0.001 0.000 0.217 350 G C 1.778 176.680 174.900 0.004 0.000 1.183 350 G CA 0.959 46.061 45.100 0.004 0.000 0.776 350 G HN 0.581 nan 8.290 nan 0.000 0.552 351 R N -0.196 120.307 120.500 0.005 0.000 2.073 351 R HA 0.094 4.435 4.340 0.001 0.000 0.234 351 R C 2.684 178.996 176.300 0.020 0.000 1.134 351 R CA 0.970 57.083 56.100 0.021 0.000 0.952 351 R CB -0.577 29.731 30.300 0.013 0.000 0.850 351 R HN 0.311 nan 8.270 nan 0.000 0.433 352 L N 0.698 121.918 121.223 -0.006 0.000 2.093 352 L HA -0.167 4.174 4.340 0.001 0.000 0.208 352 L C 2.467 179.312 176.870 -0.042 0.000 1.085 352 L CA 0.505 55.335 54.840 -0.017 0.000 0.755 352 L CB -0.434 41.611 42.059 -0.024 0.000 0.904 352 L HN 0.190 nan 8.230 nan 0.000 0.435 353 L N 0.457 121.648 121.223 -0.053 0.000 2.012 353 L HA -0.187 4.154 4.340 0.001 0.000 0.210 353 L C 2.628 179.390 176.870 -0.181 0.000 1.073 353 L CA 2.165 56.931 54.840 -0.124 0.000 0.748 353 L CB -0.818 41.166 42.059 -0.126 0.000 0.891 353 L HN 0.138 nan 8.230 nan 0.000 0.431 354 A N -1.092 121.681 122.820 -0.079 0.000 1.877 354 A HA -0.271 4.050 4.320 0.001 0.000 0.216 354 A C 2.223 179.785 177.584 -0.037 0.000 1.186 354 A CA 1.884 53.922 52.037 0.003 0.000 0.620 354 A CB -0.695 18.407 19.000 0.170 0.000 0.822 354 A HN 0.674 nan 8.150 nan 0.000 0.443 355 Q N -0.829 118.966 119.800 -0.008 0.000 2.135 355 Q HA -0.181 4.159 4.340 0.001 0.000 0.204 355 Q C 2.394 178.294 176.000 -0.167 0.000 0.981 355 Q CA 1.559 57.320 55.803 -0.071 0.000 0.856 355 Q CB -0.159 28.579 28.738 -0.001 0.000 0.902 355 Q HN 0.616 nan 8.270 nan 0.000 0.425 356 R N 0.071 120.473 120.500 -0.163 0.000 2.062 356 R HA -0.050 4.291 4.340 0.001 0.000 0.229 356 R C 2.315 178.456 176.300 -0.265 0.000 1.128 356 R CA 0.928 56.924 56.100 -0.173 0.000 0.960 356 R CB -0.229 29.990 30.300 -0.134 0.000 0.855 356 R HN 0.256 nan 8.270 nan 0.000 0.432 357 L N -0.559 120.399 121.223 -0.441 0.000 2.141 357 L HA -0.127 4.213 4.340 0.001 0.000 0.209 357 L C 0.772 177.162 176.870 -0.799 0.000 1.094 357 L CA 1.218 55.616 54.840 -0.737 0.000 0.763 357 L CB -0.030 41.296 42.059 -1.221 0.000 0.908 357 L HN 0.243 nan 8.230 nan 0.000 0.437 358 Y N -1.753 118.442 120.300 -0.174 0.000 2.715 358 Y HA 0.526 5.077 4.550 0.001 0.000 0.255 358 Y C 0.709 176.313 175.900 -0.492 0.000 1.139 358 Y CA -0.181 57.779 58.100 -0.234 0.000 1.151 358 Y CB 0.324 38.701 38.460 -0.139 0.000 1.201 358 Y HN -0.003 nan 8.280 nan 0.000 0.556 359 A N -0.937 121.682 122.820 -0.335 0.000 2.574 359 A HA 0.515 4.836 4.320 0.001 0.000 0.246 359 A C 1.496 178.966 177.584 -0.191 0.000 1.025 359 A CA 0.162 51.964 52.037 -0.392 0.000 1.043 359 A CB -0.554 18.060 19.000 -0.643 0.000 1.177 359 A HN 0.651 nan 8.150 nan 0.000 0.526 360 G N 0.438 109.150 108.800 -0.146 0.000 2.225 360 G HA2 -0.203 3.757 3.960 0.001 0.000 0.267 360 G HA3 -0.203 3.757 3.960 0.001 0.000 0.267 360 G C 0.411 175.265 174.900 -0.077 0.000 1.024 360 G CA 0.952 45.997 45.100 -0.091 0.000 0.784 360 G HN 1.624 nan 8.290 nan 0.000 0.507 361 S N -0.387 115.257 115.700 -0.093 0.000 2.549 361 S HA 0.516 4.986 4.470 0.001 0.000 0.279 361 S C 1.582 176.152 174.600 -0.050 0.000 1.321 361 S CA 0.922 59.084 58.200 -0.063 0.000 1.054 361 S CB 0.787 63.950 63.200 -0.061 0.000 0.899 361 S HN 1.160 nan 8.310 nan 0.000 0.497 362 T N 1.729 116.264 114.554 -0.032 0.000 3.134 362 T HA 0.285 4.636 4.350 0.001 0.000 0.260 362 T C 0.081 174.773 174.700 -0.014 0.000 1.027 362 T CA -0.371 61.716 62.100 -0.022 0.000 0.913 362 T CB -0.239 68.620 68.868 -0.015 0.000 1.046 362 T HN 0.310 nan 8.240 nan 0.000 0.553 363 V N 2.635 122.539 119.914 -0.017 0.000 2.530 363 V HA 0.345 4.466 4.120 0.001 0.000 0.282 363 V C 0.182 176.274 176.094 -0.003 0.000 1.048 363 V CA -0.615 61.680 62.300 -0.010 0.000 0.997 363 V CB 0.764 32.579 31.823 -0.013 0.000 0.987 363 V HN 0.453 nan 8.190 nan 0.000 0.477 364 K N 3.049 123.456 120.400 0.011 0.000 2.123 364 K HA 0.517 4.838 4.320 0.001 0.000 0.248 364 K C -0.493 176.128 176.600 0.035 0.000 0.969 364 K CA -0.612 55.696 56.287 0.035 0.000 0.882 364 K CB 1.586 34.118 32.500 0.053 0.000 1.080 364 K HN 0.647 nan 8.250 nan 0.000 0.441 365 C N 2.046 121.386 119.300 0.068 0.000 2.576 365 C HA 0.102 4.562 4.460 0.001 0.000 0.401 365 C C -0.029 174.981 174.990 0.034 0.000 1.314 365 C CA -0.182 58.825 59.018 -0.020 0.000 1.855 365 C CB -0.782 26.903 27.740 -0.092 0.000 2.537 365 C HN 0.679 nan 8.230 nan 0.000 0.578 366 D N 4.257 124.618 120.400 -0.065 0.000 2.441 366 D HA 0.201 4.841 4.640 0.001 0.000 0.221 366 D C -0.102 176.182 176.300 -0.025 0.000 1.156 366 D CA -0.142 53.869 54.000 0.019 0.000 0.896 366 D CB 0.181 40.976 40.800 -0.008 0.000 1.028 366 D HN 0.678 nan 8.370 nan 0.000 0.509 367 Y N 1.393 121.689 120.300 -0.006 0.000 2.465 367 Y HA 0.130 4.681 4.550 0.001 0.000 0.311 367 Y C 0.645 176.540 175.900 -0.008 0.000 1.204 367 Y CA -0.098 57.998 58.100 -0.006 0.000 1.272 367 Y CB 0.045 38.503 38.460 -0.002 0.000 1.083 367 Y HN 0.156 nan 8.280 nan 0.000 0.508 368 E N 0.916 121.185 120.200 0.115 0.000 2.197 368 E HA 0.153 4.503 4.350 0.001 0.000 0.281 368 E C 0.158 176.775 176.600 0.028 0.000 0.995 368 E CA -0.310 56.131 56.400 0.069 0.000 0.808 368 E CB 0.595 30.330 29.700 0.058 0.000 1.093 368 E HN 0.243 nan 8.360 nan 0.000 0.394 369 N N 0.396 119.109 118.700 0.022 0.000 2.735 369 N HA -0.159 4.582 4.740 0.001 0.000 0.248 369 N C -0.508 174.985 175.510 -0.029 0.000 1.083 369 N CA 0.394 53.441 53.050 -0.004 0.000 0.703 369 N CB -1.372 37.107 38.487 -0.013 0.000 1.005 369 N HN 0.171 nan 8.380 nan 0.000 0.550 370 V N 2.358 122.260 119.914 -0.020 0.000 2.450 370 V HA 0.093 4.214 4.120 0.001 0.000 0.281 370 V C -0.996 175.065 176.094 -0.054 0.000 1.019 370 V CA -0.636 61.639 62.300 -0.041 0.000 1.062 370 V CB 0.473 32.279 31.823 -0.027 0.000 0.979 370 V HN 0.144 nan 8.190 nan 0.000 0.477 371 P HA 0.206 nan 4.420 nan 0.000 0.270 371 P C -0.271 176.977 177.300 -0.086 0.000 1.223 371 P CA 0.115 63.157 63.100 -0.096 0.000 0.785 371 P CB 1.125 32.753 31.700 -0.120 0.000 0.923 372 T N -0.673 113.816 114.554 -0.110 0.000 2.840 372 T HA 0.542 4.892 4.350 0.001 0.000 0.317 372 T C -1.717 172.850 174.700 -0.221 0.000 1.401 372 T CA -0.394 61.634 62.100 -0.119 0.000 1.028 372 T CB 1.342 70.176 68.868 -0.057 0.000 1.317 372 T HN 0.685 nan 8.240 nan 0.000 0.495 373 T N 1.822 116.208 114.554 -0.280 0.000 3.237 373 T HA 0.553 4.904 4.350 0.001 0.000 0.319 373 T C -1.204 173.120 174.700 -0.626 0.000 1.037 373 T CA -0.478 61.333 62.100 -0.482 0.000 1.048 373 T CB 0.913 69.479 68.868 -0.503 0.000 1.081 373 T HN 0.512 nan 8.240 nan 0.000 0.455 374 V N 5.847 125.440 119.914 -0.534 0.000 2.488 374 V HA 0.378 4.499 4.120 0.001 0.000 0.277 374 V C 0.110 175.951 176.094 -0.422 0.000 1.046 374 V CA -0.345 61.739 62.300 -0.360 0.000 0.986 374 V CB 0.269 31.969 31.823 -0.204 0.000 0.989 374 V HN 0.908 nan 8.190 nan 0.000 0.475 375 F N 3.490 123.381 119.950 -0.097 0.000 2.752 375 F HA 0.178 4.706 4.527 0.001 0.000 0.332 375 F C 1.527 177.125 175.800 -0.338 0.000 1.188 375 F CA -0.515 57.327 58.000 -0.263 0.000 1.296 375 F CB -0.468 38.316 39.000 -0.360 0.000 1.526 375 F HN 0.588 nan 8.300 nan 0.000 0.576 376 T N -2.612 111.923 114.554 -0.031 0.000 2.754 376 T HA 0.128 4.479 4.350 0.001 0.000 0.286 376 T C -1.489 173.285 174.700 0.124 0.000 0.997 376 T CA -1.568 60.566 62.100 0.057 0.000 0.982 376 T CB 0.716 69.634 68.868 0.082 0.000 1.027 376 T HN -0.036 nan 8.240 nan 0.000 0.529 377 P HA -0.010 nan 4.420 nan 0.000 0.217 377 P C 0.172 177.584 177.300 0.187 0.000 1.151 377 P CA 0.711 63.970 63.100 0.264 0.000 0.849 377 P CB 0.024 31.860 31.700 0.225 0.000 0.787 378 L N 0.112 121.358 121.223 0.038 0.000 2.301 378 L HA 0.237 4.578 4.340 0.001 0.000 0.278 378 L C -0.101 176.803 176.870 0.056 0.000 1.022 378 L CA -0.753 54.050 54.840 -0.061 0.000 0.854 378 L CB 0.216 42.010 42.059 -0.442 0.000 1.226 378 L HN -0.168 nan 8.230 nan 0.000 0.429 379 E N 3.004 123.279 120.200 0.124 0.000 2.502 379 E HA -0.065 4.286 4.350 0.001 0.000 0.261 379 E C -1.353 175.307 176.600 0.100 0.000 0.974 379 E CA 0.621 57.050 56.400 0.049 0.000 0.936 379 E CB 0.518 30.250 29.700 0.052 0.000 0.926 379 E HN 0.415 nan 8.360 nan 0.000 0.459 380 Y N 2.001 122.217 120.300 -0.141 0.000 2.338 380 Y HA 0.476 5.027 4.550 0.001 0.000 0.328 380 Y C -0.276 175.559 175.900 -0.108 0.000 0.965 380 Y CA -1.101 56.953 58.100 -0.077 0.000 1.208 380 Y CB 0.990 39.400 38.460 -0.084 0.000 1.132 380 Y HN 0.460 nan 8.280 nan 0.000 0.469 381 G N 3.241 111.945 108.800 -0.159 0.000 2.389 381 G HA2 0.781 4.741 3.960 0.001 0.000 0.328 381 G HA3 0.781 4.741 3.960 0.001 0.000 0.328 381 G C -1.509 173.190 174.900 -0.335 0.000 1.133 381 G CA -0.307 44.618 45.100 -0.291 0.000 0.891 381 G HN 1.062 nan 8.290 nan 0.000 0.485 382 A N -0.455 122.167 122.820 -0.330 0.000 2.612 382 A HA 0.737 5.057 4.320 0.001 0.000 0.293 382 A C -1.187 176.312 177.584 -0.141 0.000 1.075 382 A CA -0.476 51.428 52.037 -0.221 0.000 0.680 382 A CB 1.562 20.383 19.000 -0.299 0.000 1.279 382 A HN 1.885 nan 8.150 nan 0.000 0.411 383 C N 0.639 119.859 119.300 -0.134 0.000 2.989 383 C HA 0.773 5.234 4.460 0.001 0.000 0.397 383 C C 0.335 175.273 174.990 -0.086 0.000 1.022 383 C CA 1.321 60.276 59.018 -0.105 0.000 1.232 383 C CB 0.448 28.102 27.740 -0.144 0.000 1.638 383 C HN 3.033 nan 8.230 nan 0.000 0.534 384 G N 4.407 113.182 108.800 -0.041 0.000 2.526 384 G HA2 -0.004 3.957 3.960 0.001 0.000 0.250 384 G HA3 -0.004 3.957 3.960 0.001 0.000 0.250 384 G C -0.962 173.971 174.900 0.055 0.000 1.289 384 G CA -0.464 44.638 45.100 0.004 0.000 0.947 384 G HN 1.188 nan 8.290 nan 0.000 0.517 385 L N 1.096 122.377 121.223 0.096 0.000 2.456 385 L HA 0.423 4.764 4.340 0.001 0.000 0.272 385 L C 1.731 178.750 176.870 0.249 0.000 1.189 385 L CA 0.201 55.130 54.840 0.148 0.000 0.846 385 L CB 0.795 42.942 42.059 0.146 0.000 1.111 385 L HN 0.993 nan 8.230 nan 0.000 0.475 386 S N 0.855 116.701 115.700 0.244 0.000 2.634 386 S HA 0.089 4.559 4.470 0.001 0.000 0.261 386 S C 0.828 175.518 174.600 0.151 0.000 1.271 386 S CA -0.409 57.955 58.200 0.273 0.000 0.985 386 S CB 1.379 64.697 63.200 0.197 0.000 0.968 386 S HN 0.742 nan 8.310 nan 0.000 0.568 387 E N 0.905 121.131 120.200 0.043 0.000 2.015 387 E HA -0.206 4.144 4.350 0.001 0.000 0.191 387 E C 2.095 178.725 176.600 0.050 0.000 0.991 387 E CA 1.448 57.863 56.400 0.025 0.000 0.802 387 E CB -0.301 29.380 29.700 -0.031 0.000 0.759 387 E HN 0.816 nan 8.360 nan 0.000 0.447 388 E N 1.027 121.254 120.200 0.045 0.000 2.097 388 E HA -0.290 4.060 4.350 0.001 0.000 0.196 388 E C 2.008 178.650 176.600 0.070 0.000 1.000 388 E CA 1.607 58.037 56.400 0.050 0.000 0.804 388 E CB -0.422 29.305 29.700 0.045 0.000 0.740 388 E HN 0.086 nan 8.360 nan 0.000 0.454 389 K N 1.682 122.134 120.400 0.086 0.000 2.217 389 K HA 0.050 4.371 4.320 0.001 0.000 0.202 389 K C 2.043 178.728 176.600 0.143 0.000 1.051 389 K CA 1.360 57.707 56.287 0.101 0.000 0.952 389 K CB -0.432 32.129 32.500 0.101 0.000 0.736 389 K HN 0.169 nan 8.250 nan 0.000 0.453 390 A N 0.554 123.461 122.820 0.144 0.000 1.930 390 A HA -0.078 4.242 4.320 0.001 0.000 0.217 390 A C 2.260 179.976 177.584 0.221 0.000 1.175 390 A CA 1.806 53.950 52.037 0.178 0.000 0.627 390 A CB -0.921 18.130 19.000 0.085 0.000 0.815 390 A HN 0.274 nan 8.150 nan 0.000 0.443 391 V N -1.934 118.064 119.914 0.140 0.000 2.407 391 V HA -0.117 4.003 4.120 0.001 0.000 0.245 391 V C 1.933 178.099 176.094 0.119 0.000 1.041 391 V CA 2.191 64.566 62.300 0.125 0.000 1.040 391 V CB -0.917 30.950 31.823 0.073 0.000 0.671 391 V HN 0.609 nan 8.190 nan 0.000 0.455 392 E N 0.298 120.557 120.200 0.097 0.000 2.463 392 E HA -0.227 4.124 4.350 0.001 0.000 0.201 392 E C 1.989 178.621 176.600 0.053 0.000 1.045 392 E CA 1.275 57.714 56.400 0.065 0.000 0.872 392 E CB 0.077 29.810 29.700 0.054 0.000 0.797 392 E HN 0.792 nan 8.360 nan 0.000 0.538 393 K N -1.190 119.272 120.400 0.103 0.000 2.362 393 K HA 0.061 4.381 4.320 0.001 0.000 0.203 393 K C 0.849 177.360 176.600 -0.149 0.000 1.198 393 K CA 0.069 56.345 56.287 -0.018 0.000 0.908 393 K CB 0.272 32.797 32.500 0.042 0.000 1.236 393 K HN -0.005 nan 8.250 nan 0.000 0.487 394 F N 1.083 121.046 119.950 0.021 0.000 2.695 394 F HA 0.382 4.909 4.527 0.001 0.000 0.303 394 F C 0.359 176.170 175.800 0.018 0.000 1.091 394 F CA 0.244 58.256 58.000 0.020 0.000 1.300 394 F CB 1.239 40.253 39.000 0.025 0.000 1.071 394 F HN 0.205 nan 8.300 nan 0.000 0.578 395 G N 1.619 110.523 108.800 0.172 0.000 3.307 395 G HA2 -0.216 3.745 3.960 0.001 0.000 0.686 395 G HA3 -0.216 3.745 3.960 0.001 0.000 0.686 395 G C 0.702 175.662 174.900 0.101 0.000 0.983 395 G CA -0.032 45.131 45.100 0.105 0.000 0.804 395 G HN 0.198 nan 8.290 nan 0.000 0.531 396 E N 1.415 121.657 120.200 0.070 0.000 2.233 396 E HA -0.280 4.071 4.350 0.001 0.000 0.210 396 E C 2.035 178.660 176.600 0.043 0.000 1.046 396 E CA 2.431 58.861 56.400 0.051 0.000 0.844 396 E CB -0.008 29.712 29.700 0.034 0.000 0.741 396 E HN 0.977 nan 8.360 nan 0.000 0.465 397 E N -1.058 119.168 120.200 0.044 0.000 2.502 397 E HA 0.007 4.358 4.350 0.001 0.000 0.194 397 E C 0.966 177.593 176.600 0.045 0.000 1.062 397 E CA 0.163 56.584 56.400 0.035 0.000 0.867 397 E CB 0.015 29.733 29.700 0.029 0.000 0.888 397 E HN 0.143 nan 8.360 nan 0.000 0.510 398 N N 1.002 119.741 118.700 0.065 0.000 2.197 398 N HA 0.150 4.890 4.740 0.001 0.000 0.201 398 N C -0.032 175.506 175.510 0.045 0.000 1.148 398 N CA 0.054 53.147 53.050 0.073 0.000 0.883 398 N CB 0.968 39.528 38.487 0.122 0.000 1.012 398 N HN 0.317 nan 8.380 nan 0.000 0.507 399 I N -0.914 119.678 120.570 0.036 0.000 2.390 399 I HA 0.412 4.583 4.170 0.001 0.000 0.283 399 I C -0.282 175.848 176.117 0.022 0.000 1.016 399 I CA -0.727 60.572 61.300 -0.002 0.000 1.151 399 I CB 1.211 39.200 38.000 -0.018 0.000 1.293 399 I HN -0.317 nan 8.210 nan 0.000 0.458 400 E N 4.957 125.191 120.200 0.056 0.000 2.313 400 E HA 0.454 4.804 4.350 0.001 0.000 0.272 400 E C -0.783 175.905 176.600 0.146 0.000 1.038 400 E CA -0.552 55.905 56.400 0.095 0.000 0.863 400 E CB 2.573 32.392 29.700 0.198 0.000 1.060 400 E HN 0.525 nan 8.360 nan 0.000 0.402 401 V N 4.188 124.129 119.914 0.046 0.000 2.378 401 V HA 0.221 4.341 4.120 0.001 0.000 0.288 401 V C -0.993 175.093 176.094 -0.013 0.000 1.016 401 V CA -0.757 61.572 62.300 0.048 0.000 0.840 401 V CB 0.446 32.218 31.823 -0.084 0.000 0.994 401 V HN 0.470 nan 8.190 nan 0.000 0.431 402 Y N 4.573 124.829 120.300 -0.074 0.000 2.361 402 Y HA 0.744 5.295 4.550 0.001 0.000 0.332 402 Y C 0.525 176.444 175.900 0.032 0.000 1.101 402 Y CA -0.812 57.278 58.100 -0.018 0.000 1.137 402 Y CB 1.336 39.796 38.460 0.000 0.000 1.207 402 Y HN 0.875 nan 8.280 nan 0.000 0.463 403 H N -1.385 117.693 119.070 0.013 0.000 2.932 403 H HA 0.770 5.327 4.556 0.001 0.000 0.307 403 H C -1.456 173.807 175.328 -0.109 0.000 1.391 403 H CA -1.039 54.928 56.048 -0.135 0.000 1.130 403 H CB 1.876 31.568 29.762 -0.117 0.000 1.836 403 H HN 0.599 nan 8.280 nan 0.000 0.522 404 S N 0.158 115.658 115.700 -0.334 0.000 2.633 404 S HA 0.306 4.777 4.470 0.001 0.000 0.271 404 S C -2.135 172.368 174.600 -0.163 0.000 1.112 404 S CA -0.825 57.239 58.200 -0.226 0.000 0.828 404 S CB 0.762 63.908 63.200 -0.091 0.000 1.086 404 S HN 0.563 nan 8.310 nan 0.000 0.461 405 Y N 1.448 121.782 120.300 0.056 0.000 2.458 405 Y HA 0.781 5.332 4.550 0.001 0.000 0.322 405 Y C 0.165 176.164 175.900 0.164 0.000 1.259 405 Y CA -0.154 58.001 58.100 0.091 0.000 1.302 405 Y CB 1.327 39.789 38.460 0.003 0.000 1.314 405 Y HN 0.700 nan 8.280 nan 0.000 0.509 406 F N -1.362 118.705 119.950 0.194 0.000 2.654 406 F HA 0.491 5.018 4.527 0.001 0.000 0.308 406 F C -2.035 173.911 175.800 0.243 0.000 1.108 406 F CA -1.760 56.319 58.000 0.131 0.000 0.957 406 F CB 1.016 40.007 39.000 -0.015 0.000 1.309 406 F HN 0.406 nan 8.300 nan 0.000 0.446 407 W N 5.147 126.513 121.300 0.110 0.000 2.453 407 W HA 0.677 5.338 4.660 0.001 0.000 0.310 407 W C -2.871 173.656 176.519 0.014 0.000 1.000 407 W CA -3.276 54.079 57.345 0.017 0.000 1.367 407 W CB 1.144 30.648 29.460 0.073 0.000 1.269 407 W HN 0.387 nan 8.180 nan 0.000 0.418 408 P HA -0.186 nan 4.420 nan 0.000 0.259 408 P C 1.030 178.056 177.300 -0.457 0.000 1.163 408 P CA 0.321 63.160 63.100 -0.435 0.000 0.760 408 P CB 0.558 31.573 31.700 -1.141 0.000 0.762 409 L N 4.736 125.795 121.223 -0.273 0.000 2.187 409 L HA -0.189 4.152 4.340 0.001 0.000 0.213 409 L C 1.629 178.410 176.870 -0.148 0.000 1.100 409 L CA 1.972 56.668 54.840 -0.239 0.000 0.765 409 L CB -0.846 41.137 42.059 -0.126 0.000 0.904 409 L HN 0.304 nan 8.230 nan 0.000 0.437 410 E N -1.652 118.500 120.200 -0.080 0.000 2.268 410 E HA -0.183 4.168 4.350 0.001 0.000 0.195 410 E C 1.261 178.108 176.600 0.412 0.000 0.995 410 E CA 0.956 57.458 56.400 0.171 0.000 0.836 410 E CB -0.220 29.579 29.700 0.166 0.000 0.763 410 E HN 0.542 nan 8.360 nan 0.000 0.491 411 W N 0.452 121.705 121.300 -0.079 0.000 3.353 411 W HA 0.179 4.840 4.660 0.001 0.000 0.304 411 W C 1.611 178.030 176.519 -0.168 0.000 1.273 411 W CA 0.522 57.851 57.345 -0.027 0.000 1.773 411 W CB -1.024 28.506 29.460 0.118 0.000 1.095 411 W HN 0.112 nan 8.180 nan 0.000 0.676 412 T N -0.828 113.581 114.554 -0.243 0.000 2.671 412 T HA -0.177 4.173 4.350 0.001 0.000 0.250 412 T C 1.900 176.560 174.700 -0.067 0.000 1.068 412 T CA 1.502 63.369 62.100 -0.389 0.000 1.177 412 T CB -0.886 67.676 68.868 -0.510 0.000 0.876 412 T HN 0.050 nan 8.240 nan 0.000 0.405 413 I N 1.480 121.958 120.570 -0.155 0.000 2.530 413 I HA 0.098 4.269 4.170 0.001 0.000 0.257 413 I C -1.060 174.944 176.117 -0.188 0.000 1.179 413 I CA 0.873 62.029 61.300 -0.239 0.000 1.440 413 I CB -1.502 36.176 38.000 -0.536 0.000 1.087 413 I HN 0.199 nan 8.210 nan 0.000 0.440 414 P HA -0.037 nan 4.420 nan 0.000 0.231 414 P C 0.398 177.745 177.300 0.077 0.000 1.168 414 P CA 1.159 64.267 63.100 0.012 0.000 0.779 414 P CB 0.022 31.794 31.700 0.120 0.000 0.844 415 S N 0.141 115.936 115.700 0.158 0.000 3.477 415 S HA -0.181 4.289 4.470 0.001 0.000 0.426 415 S C 0.138 174.879 174.600 0.234 0.000 0.874 415 S CA 0.365 58.724 58.200 0.266 0.000 1.341 415 S CB -1.454 61.842 63.200 0.161 0.000 0.917 415 S HN 0.369 nan 8.310 nan 0.000 0.607 416 R N 0.506 121.204 120.500 0.329 0.000 2.947 416 R HA 0.637 4.977 4.340 0.001 0.000 0.253 416 R C -1.129 175.325 176.300 0.255 0.000 1.208 416 R CA -0.756 55.451 56.100 0.178 0.000 1.012 416 R CB -0.256 30.056 30.300 0.020 0.000 1.267 416 R HN 0.207 nan 8.270 nan 0.000 0.473 417 D N 1.199 121.661 120.400 0.104 0.000 8.133 417 D HA -0.225 4.416 4.640 0.001 0.000 0.154 417 D C -0.611 175.819 176.300 0.216 0.000 1.258 417 D CA 1.034 55.112 54.000 0.130 0.000 0.886 417 D CB -0.704 40.184 40.800 0.147 0.000 1.696 417 D HN 0.495 nan 8.370 nan 0.000 0.965 418 N N 1.277 119.890 118.700 -0.146 0.000 2.478 418 N HA 0.111 4.852 4.740 0.001 0.000 0.275 418 N C 0.103 175.430 175.510 -0.305 0.000 1.221 418 N CA -0.797 51.890 53.050 -0.605 0.000 0.979 418 N CB 0.558 38.285 38.487 -1.267 0.000 1.202 418 N HN 0.122 nan 8.380 nan 0.000 0.564 419 N N 0.425 118.930 118.700 -0.324 0.000 2.701 419 N HA -0.207 4.533 4.740 0.001 0.000 0.252 419 N C -0.264 175.174 175.510 -0.119 0.000 1.002 419 N CA 0.850 53.699 53.050 -0.335 0.000 0.758 419 N CB -0.369 37.774 38.487 -0.573 0.000 0.937 419 N HN 0.549 nan 8.380 nan 0.000 0.538 420 K N -0.488 119.974 120.400 0.103 0.000 2.403 420 K HA 0.247 4.568 4.320 0.001 0.000 0.199 420 K C 0.112 176.810 176.600 0.162 0.000 1.199 420 K CA 0.449 56.855 56.287 0.199 0.000 0.924 420 K CB 0.353 33.017 32.500 0.273 0.000 1.137 420 K HN 0.281 nan 8.250 nan 0.000 0.510 421 C N 2.115 121.393 119.300 -0.036 0.000 2.632 421 C HA 0.368 4.829 4.460 0.001 0.000 0.415 421 C C -0.198 174.525 174.990 -0.445 0.000 1.332 421 C CA -0.485 58.249 59.018 -0.474 0.000 1.874 421 C CB -1.247 25.660 27.740 -1.389 0.000 2.596 421 C HN 0.391 nan 8.230 nan 0.000 0.590 422 Y N 1.602 121.731 120.300 -0.286 0.000 2.512 422 Y HA 0.696 5.246 4.550 0.001 0.000 0.348 422 Y C -0.310 175.643 175.900 0.088 0.000 0.990 422 Y CA -0.665 57.312 58.100 -0.205 0.000 1.033 422 Y CB 1.238 39.474 38.460 -0.374 0.000 1.259 422 Y HN 0.832 nan 8.280 nan 0.000 0.461 423 A N 5.193 127.648 122.820 -0.609 0.000 2.498 423 A HA 0.889 5.209 4.320 0.001 0.000 0.298 423 A C -1.674 175.405 177.584 -0.843 0.000 1.075 423 A CA -0.784 50.861 52.037 -0.653 0.000 0.714 423 A CB 1.671 20.069 19.000 -1.004 0.000 1.299 423 A HN 0.808 nan 8.150 nan 0.000 0.407 424 K N 0.973 121.116 120.400 -0.428 0.000 2.598 424 K HA 0.657 4.977 4.320 0.001 0.000 0.271 424 K C -1.375 175.199 176.600 -0.042 0.000 0.947 424 K CA -0.654 55.500 56.287 -0.222 0.000 0.854 424 K CB 1.172 33.529 32.500 -0.239 0.000 1.401 424 K HN 1.095 nan 8.250 nan 0.000 0.415 425 I N -0.793 119.788 120.570 0.019 0.000 2.957 425 I HA 0.669 4.840 4.170 0.001 0.000 0.310 425 I C -0.986 175.174 176.117 0.071 0.000 1.063 425 I CA -1.523 59.790 61.300 0.022 0.000 1.033 425 I CB 1.900 39.889 38.000 -0.018 0.000 1.230 425 I HN 0.614 nan 8.210 nan 0.000 0.447 426 I N 2.972 123.576 120.570 0.057 0.000 2.468 426 I HA 0.375 4.546 4.170 0.001 0.000 0.285 426 I C -0.955 175.142 176.117 -0.035 0.000 1.039 426 I CA -0.389 60.935 61.300 0.040 0.000 1.074 426 I CB 1.704 39.743 38.000 0.065 0.000 1.228 426 I HN 0.624 nan 8.210 nan 0.000 0.436 427 C N 3.875 123.152 119.300 -0.038 0.000 2.376 427 C HA 0.423 4.883 4.460 0.001 0.000 0.335 427 C C 0.419 175.336 174.990 -0.121 0.000 1.229 427 C CA -0.679 58.281 59.018 -0.097 0.000 1.867 427 C CB 1.054 28.725 27.740 -0.115 0.000 2.319 427 C HN 0.724 nan 8.230 nan 0.000 0.515 428 N N 1.125 119.705 118.700 -0.201 0.000 2.527 428 N HA 0.187 4.928 4.740 0.001 0.000 0.236 428 N C 0.945 176.405 175.510 -0.083 0.000 0.999 428 N CA -0.092 52.811 53.050 -0.245 0.000 0.935 428 N CB 0.831 38.990 38.487 -0.547 0.000 1.132 428 N HN 0.661 nan 8.380 nan 0.000 0.511 429 T N 2.346 116.888 114.554 -0.019 0.000 2.699 429 T HA -0.128 4.223 4.350 0.001 0.000 0.268 429 T C 1.184 175.904 174.700 0.033 0.000 1.036 429 T CA 1.179 63.291 62.100 0.021 0.000 1.147 429 T CB -0.009 68.883 68.868 0.040 0.000 0.862 429 T HN 0.456 nan 8.240 nan 0.000 0.446 430 K N 1.376 121.811 120.400 0.057 0.000 2.574 430 K HA 0.015 4.336 4.320 0.001 0.000 0.193 430 K C 0.448 177.092 176.600 0.073 0.000 1.035 430 K CA 0.611 56.944 56.287 0.077 0.000 0.982 430 K CB -0.089 32.483 32.500 0.121 0.000 0.795 430 K HN 0.360 nan 8.250 nan 0.000 0.491 431 D N 0.041 120.469 120.400 0.047 0.000 2.997 431 D HA 0.109 4.750 4.640 0.001 0.000 0.362 431 D C -0.966 175.339 176.300 0.009 0.000 1.298 431 D CA -0.348 53.675 54.000 0.039 0.000 0.756 431 D CB -0.525 40.313 40.800 0.063 0.000 1.216 431 D HN -0.055 nan 8.370 nan 0.000 0.496 432 N N 1.657 120.363 118.700 0.009 0.000 2.747 432 N HA -0.220 4.521 4.740 0.001 0.000 0.249 432 N C -0.792 174.706 175.510 -0.020 0.000 1.107 432 N CA 1.105 54.154 53.050 -0.001 0.000 0.707 432 N CB -0.924 37.562 38.487 -0.001 0.000 1.054 432 N HN 0.483 nan 8.380 nan 0.000 0.555 433 E N -2.479 117.705 120.200 -0.027 0.000 2.320 433 E HA -0.320 4.031 4.350 0.001 0.000 0.234 433 E C 0.053 176.601 176.600 -0.085 0.000 1.183 433 E CA 0.544 56.910 56.400 -0.056 0.000 0.713 433 E CB -0.733 28.931 29.700 -0.060 0.000 1.226 433 E HN 0.449 nan 8.360 nan 0.000 0.382 434 R N 0.496 120.948 120.500 -0.080 0.000 2.585 434 R HA 0.090 4.430 4.340 0.001 0.000 0.275 434 R C -0.367 175.873 176.300 -0.101 0.000 1.018 434 R CA 0.174 56.227 56.100 -0.078 0.000 1.072 434 R CB 0.698 30.955 30.300 -0.071 0.000 0.953 434 R HN 0.058 nan 8.270 nan 0.000 0.419 435 V N 7.413 127.285 119.914 -0.071 0.000 2.370 435 V HA 0.026 4.146 4.120 0.001 0.000 0.257 435 V C 0.995 177.062 176.094 -0.045 0.000 1.064 435 V CA 0.299 62.566 62.300 -0.055 0.000 0.975 435 V CB 0.730 32.545 31.823 -0.013 0.000 1.067 435 V HN 0.800 nan 8.190 nan 0.000 0.485 436 V N 2.122 121.994 119.914 -0.070 0.000 3.621 436 V HA 0.632 4.752 4.120 0.001 0.000 0.285 436 V C 0.744 176.841 176.094 0.005 0.000 1.346 436 V CA 0.648 62.913 62.300 -0.058 0.000 1.104 436 V CB 0.255 31.973 31.823 -0.176 0.000 0.913 436 V HN 0.738 nan 8.190 nan 0.000 0.432 437 G N -0.062 108.759 108.800 0.035 0.000 2.753 437 G HA2 0.579 4.540 3.960 0.001 0.000 0.295 437 G HA3 0.579 4.540 3.960 0.001 0.000 0.295 437 G C -1.989 172.949 174.900 0.063 0.000 1.437 437 G CA -0.497 44.655 45.100 0.086 0.000 1.094 437 G HN 0.175 nan 8.290 nan 0.000 0.540 438 F N 2.545 122.301 119.950 -0.325 0.000 2.507 438 F HA 0.729 5.256 4.527 0.001 0.000 0.328 438 F C -0.937 174.523 175.800 -0.566 0.000 1.136 438 F CA -0.741 57.047 58.000 -0.353 0.000 0.930 438 F CB 1.819 40.593 39.000 -0.376 0.000 1.166 438 F HN 0.540 nan 8.300 nan 0.000 0.436 439 H N 3.726 122.566 119.070 -0.384 0.000 2.771 439 H HA 0.731 5.288 4.556 0.001 0.000 0.361 439 H C -1.430 173.851 175.328 -0.078 0.000 1.108 439 H CA -1.053 54.989 56.048 -0.009 0.000 1.201 439 H CB 2.216 32.092 29.762 0.190 0.000 1.681 439 H HN 0.512 nan 8.280 nan 0.000 0.534 440 V N 3.900 124.000 119.914 0.309 0.000 2.711 440 V HA 0.415 4.536 4.120 0.001 0.000 0.304 440 V C -1.806 174.539 176.094 0.419 0.000 1.097 440 V CA -0.702 61.795 62.300 0.330 0.000 0.906 440 V CB 1.760 33.816 31.823 0.388 0.000 1.015 440 V HN 0.610 nan 8.190 nan 0.000 0.427 441 L N 7.305 128.743 121.223 0.360 0.000 2.294 441 L HA 1.060 5.400 4.340 0.001 0.000 0.283 441 L C 0.083 177.133 176.870 0.301 0.000 1.015 441 L CA 1.104 56.114 54.840 0.283 0.000 0.831 441 L CB 0.946 43.101 42.059 0.160 0.000 1.217 441 L HN 1.031 nan 8.230 nan 0.000 0.420 442 G N 4.445 113.420 108.800 0.291 0.000 2.320 442 G HA2 0.327 4.287 3.960 0.001 0.000 0.296 442 G HA3 0.327 4.287 3.960 0.001 0.000 0.296 442 G C -3.390 171.668 174.900 0.264 0.000 1.306 442 G CA -0.674 44.607 45.100 0.303 0.000 0.836 442 G HN 0.415 nan 8.290 nan 0.000 0.517 443 P HA 0.172 nan 4.420 nan 0.000 0.271 443 P C -0.233 177.186 177.300 0.198 0.000 1.218 443 P CA 0.158 63.405 63.100 0.244 0.000 0.780 443 P CB 0.563 32.398 31.700 0.225 0.000 0.901 444 N N 0.269 119.096 118.700 0.212 0.000 2.740 444 N HA -0.222 4.518 4.740 0.001 0.000 0.248 444 N C 1.217 176.817 175.510 0.151 0.000 1.062 444 N CA 0.947 54.107 53.050 0.183 0.000 0.704 444 N CB -1.600 36.970 38.487 0.139 0.000 0.968 444 N HN 0.598 nan 8.380 nan 0.000 0.547 445 A N 0.215 123.113 122.820 0.130 0.000 1.903 445 A HA -0.112 4.209 4.320 0.001 0.000 0.219 445 A C 2.308 179.919 177.584 0.046 0.000 1.191 445 A CA 2.472 54.564 52.037 0.091 0.000 0.638 445 A CB -0.946 18.065 19.000 0.018 0.000 0.823 445 A HN 0.557 nan 8.150 nan 0.000 0.451 446 G N -0.467 108.335 108.800 0.003 0.000 2.433 446 G HA2 -0.220 3.741 3.960 0.001 0.000 0.216 446 G HA3 -0.220 3.741 3.960 0.001 0.000 0.216 446 G C 1.329 176.258 174.900 0.047 0.000 1.186 446 G CA 1.005 46.115 45.100 0.017 0.000 0.779 446 G HN 0.523 nan 8.290 nan 0.000 0.543 447 E N 0.439 120.687 120.200 0.081 0.000 2.130 447 E HA -0.118 4.232 4.350 0.001 0.000 0.196 447 E C 2.785 179.416 176.600 0.051 0.000 0.998 447 E CA 0.945 57.380 56.400 0.057 0.000 0.806 447 E CB -0.698 29.044 29.700 0.069 0.000 0.738 447 E HN 0.344 nan 8.360 nan 0.000 0.459 448 V N 1.230 121.202 119.914 0.097 0.000 2.379 448 V HA -0.182 3.938 4.120 0.001 0.000 0.245 448 V C 2.325 178.516 176.094 0.162 0.000 1.044 448 V CA 2.025 64.423 62.300 0.164 0.000 1.036 448 V CB -0.613 31.349 31.823 0.232 0.000 0.664 448 V HN 0.282 nan 8.190 nan 0.000 0.453 449 T N -1.104 113.488 114.554 0.064 0.000 2.812 449 T HA -0.206 4.145 4.350 0.001 0.000 0.264 449 T C 1.844 176.433 174.700 -0.185 0.000 1.042 449 T CA 1.442 63.476 62.100 -0.110 0.000 1.140 449 T CB -0.214 68.606 68.868 -0.081 0.000 0.870 449 T HN 0.351 nan 8.240 nan 0.000 0.445 450 Q N 1.434 121.163 119.800 -0.118 0.000 1.991 450 Q HA -0.165 4.175 4.340 0.001 0.000 0.213 450 Q C 2.436 178.315 176.000 -0.201 0.000 1.022 450 Q CA 2.547 58.268 55.803 -0.136 0.000 0.877 450 Q CB -1.286 27.396 28.738 -0.092 0.000 0.970 450 Q HN 0.512 nan 8.270 nan 0.000 0.414 451 G N -1.169 107.487 108.800 -0.240 0.000 2.505 451 G HA2 -0.281 3.680 3.960 0.001 0.000 0.220 451 G HA3 -0.281 3.680 3.960 0.001 0.000 0.220 451 G C 1.212 175.822 174.900 -0.485 0.000 1.145 451 G CA 1.100 45.982 45.100 -0.364 0.000 0.761 451 G HN 0.412 nan 8.290 nan 0.000 0.571 452 F N 1.665 121.338 119.950 -0.463 0.000 2.216 452 F HA 0.093 4.621 4.527 0.001 0.000 0.300 452 F C 3.002 178.504 175.800 -0.497 0.000 1.085 452 F CA 0.782 58.415 58.000 -0.612 0.000 1.326 452 F CB -0.350 37.872 39.000 -1.297 0.000 1.027 452 F HN 0.243 nan 8.300 nan 0.000 0.497 453 A N -0.055 122.588 122.820 -0.295 0.000 1.972 453 A HA -0.071 4.250 4.320 0.001 0.000 0.219 453 A C 2.400 179.886 177.584 -0.164 0.000 1.169 453 A CA 1.659 53.566 52.037 -0.217 0.000 0.635 453 A CB -1.131 17.757 19.000 -0.187 0.000 0.810 453 A HN 0.307 nan 8.150 nan 0.000 0.446 454 A N -0.167 122.545 122.820 -0.180 0.000 1.897 454 A HA 0.248 4.568 4.320 0.001 0.000 0.215 454 A C 2.500 180.003 177.584 -0.135 0.000 1.181 454 A CA 1.753 53.702 52.037 -0.147 0.000 0.620 454 A CB -1.004 17.900 19.000 -0.160 0.000 0.821 454 A HN 1.026 nan 8.150 nan 0.000 0.443 455 A N 0.014 122.734 122.820 -0.166 0.000 1.908 455 A HA -0.107 4.213 4.320 0.001 0.000 0.218 455 A C 2.143 179.680 177.584 -0.078 0.000 1.181 455 A CA 1.590 53.552 52.037 -0.125 0.000 0.627 455 A CB -0.622 18.301 19.000 -0.130 0.000 0.818 455 A HN 0.471 nan 8.150 nan 0.000 0.445 456 L N -0.868 120.308 121.223 -0.080 0.000 2.046 456 L HA -0.154 4.186 4.340 0.001 0.000 0.208 456 L C 2.291 179.134 176.870 -0.046 0.000 1.077 456 L CA 1.323 56.130 54.840 -0.054 0.000 0.747 456 L CB -0.621 41.403 42.059 -0.058 0.000 0.896 456 L HN 0.322 nan 8.230 nan 0.000 0.432 457 K N -0.230 120.136 120.400 -0.058 0.000 2.442 457 K HA -0.116 4.204 4.320 0.001 0.000 0.198 457 K C 1.585 178.161 176.600 -0.039 0.000 1.044 457 K CA 0.815 57.075 56.287 -0.046 0.000 0.948 457 K CB -0.209 32.258 32.500 -0.056 0.000 0.762 457 K HN 0.438 nan 8.250 nan 0.000 0.472 458 C N -0.146 119.126 119.300 -0.045 0.000 2.974 458 C HA 0.260 4.721 4.460 0.001 0.000 0.282 458 C C 1.165 176.138 174.990 -0.028 0.000 1.292 458 C CA -0.139 58.856 59.018 -0.039 0.000 1.710 458 C CB -0.491 27.219 27.740 -0.051 0.000 2.036 458 C HN 0.619 nan 8.230 nan 0.000 0.629 459 G N 1.604 110.390 108.800 -0.024 0.000 2.225 459 G HA2 -0.236 3.725 3.960 0.001 0.000 0.264 459 G HA3 -0.236 3.725 3.960 0.001 0.000 0.264 459 G C -0.040 174.849 174.900 -0.019 0.000 1.060 459 G CA 0.202 45.292 45.100 -0.016 0.000 0.833 459 G HN 0.561 nan 8.290 nan 0.000 0.498 460 L N 1.798 123.008 121.223 -0.022 0.000 2.653 460 L HA 0.475 4.816 4.340 0.001 0.000 0.288 460 L C 1.037 177.895 176.870 -0.020 0.000 1.243 460 L CA 1.412 56.242 54.840 -0.016 0.000 0.906 460 L CB 0.349 42.409 42.059 0.002 0.000 1.154 460 L HN 0.774 nan 8.230 nan 0.000 0.498 461 T N 1.187 115.727 114.554 -0.023 0.000 2.908 461 T HA 0.381 4.731 4.350 0.001 0.000 0.290 461 T C 0.781 175.450 174.700 -0.051 0.000 1.034 461 T CA -0.622 61.455 62.100 -0.039 0.000 1.010 461 T CB 1.598 70.448 68.868 -0.029 0.000 1.068 461 T HN 0.602 nan 8.240 nan 0.000 0.481 462 K N 1.450 121.793 120.400 -0.095 0.000 2.160 462 K HA -0.097 4.224 4.320 0.001 0.000 0.206 462 K C 1.882 178.435 176.600 -0.077 0.000 1.047 462 K CA 1.744 57.944 56.287 -0.145 0.000 0.930 462 K CB -0.453 31.886 32.500 -0.268 0.000 0.720 462 K HN 0.722 nan 8.250 nan 0.000 0.450 463 K N -0.063 120.310 120.400 -0.044 0.000 2.025 463 K HA -0.129 4.191 4.320 0.001 0.000 0.207 463 K C 2.324 178.919 176.600 -0.008 0.000 1.049 463 K CA 1.776 58.053 56.287 -0.017 0.000 0.933 463 K CB -0.124 32.371 32.500 -0.008 0.000 0.714 463 K HN 0.275 nan 8.250 nan 0.000 0.438 464 Q N 0.593 120.386 119.800 -0.010 0.000 2.084 464 Q HA -0.181 4.160 4.340 0.001 0.000 0.202 464 Q C 2.177 178.183 176.000 0.010 0.000 0.978 464 Q CA 1.117 56.918 55.803 -0.004 0.000 0.844 464 Q CB -0.211 28.521 28.738 -0.009 0.000 0.898 464 Q HN 0.166 nan 8.270 nan 0.000 0.426 465 L N 1.621 122.854 121.223 0.016 0.000 1.989 465 L HA -0.214 4.127 4.340 0.001 0.000 0.211 465 L C 1.594 178.496 176.870 0.053 0.000 1.071 465 L CA 1.984 56.857 54.840 0.054 0.000 0.749 465 L CB -0.564 41.526 42.059 0.051 0.000 0.890 465 L HN 0.135 nan 8.230 nan 0.000 0.431 466 D N -0.810 119.605 120.400 0.026 0.000 2.149 466 D HA -0.168 4.472 4.640 0.001 0.000 0.198 466 D C 2.280 178.598 176.300 0.031 0.000 0.990 466 D CA 1.599 55.618 54.000 0.033 0.000 0.839 466 D CB -0.178 40.637 40.800 0.025 0.000 0.948 466 D HN 0.587 nan 8.370 nan 0.000 0.460 467 S N -0.351 115.362 115.700 0.021 0.000 2.515 467 S HA -0.048 4.423 4.470 0.001 0.000 0.231 467 S C 0.974 175.584 174.600 0.016 0.000 0.987 467 S CA 0.212 58.421 58.200 0.015 0.000 0.936 467 S CB -0.308 62.897 63.200 0.008 0.000 0.766 467 S HN -0.037 nan 8.310 nan 0.000 0.528 468 T N 4.394 118.963 114.554 0.026 0.000 2.832 468 T HA 0.407 4.757 4.350 0.001 0.000 0.296 468 T C 0.074 174.794 174.700 0.033 0.000 0.968 468 T CA -0.487 61.627 62.100 0.023 0.000 1.107 468 T CB 0.511 69.398 68.868 0.033 0.000 0.916 468 T HN 0.156 nan 8.240 nan 0.000 0.517 469 I N 2.963 123.546 120.570 0.021 0.000 2.428 469 I HA 0.324 4.495 4.170 0.001 0.000 0.289 469 I C 1.255 177.393 176.117 0.035 0.000 1.019 469 I CA -0.386 60.928 61.300 0.024 0.000 1.351 469 I CB 0.556 38.565 38.000 0.015 0.000 1.412 469 I HN 0.678 nan 8.210 nan 0.000 0.513 470 G N 6.149 114.975 108.800 0.044 0.000 2.537 470 G HA2 0.590 4.551 3.960 0.001 0.000 0.273 470 G HA3 0.590 4.551 3.960 0.001 0.000 0.273 470 G C -0.236 174.699 174.900 0.058 0.000 1.189 470 G CA -0.637 44.500 45.100 0.061 0.000 0.881 470 G HN 0.527 nan 8.290 nan 0.000 0.535 471 I N 0.213 120.825 120.570 0.071 0.000 2.353 471 I HA 0.262 4.432 4.170 0.001 0.000 0.293 471 I C -0.308 175.888 176.117 0.132 0.000 0.992 471 I CA -0.733 60.612 61.300 0.076 0.000 1.268 471 I CB 1.630 39.659 38.000 0.048 0.000 1.387 471 I HN 0.460 nan 8.210 nan 0.000 0.478 472 H N 6.980 126.053 119.070 0.005 0.000 2.572 472 H HA 0.580 5.136 4.556 0.001 0.000 0.359 472 H C -2.542 172.786 175.328 -0.000 0.000 1.134 472 H CA -2.107 53.943 56.048 0.003 0.000 1.187 472 H CB 1.780 31.546 29.762 0.006 0.000 1.597 472 H HN 0.304 nan 8.280 nan 0.000 0.524 473 P HA 0.323 nan 4.420 nan 0.000 0.270 473 P C -1.383 175.891 177.300 -0.044 0.000 1.551 473 P CA -0.496 62.439 63.100 -0.274 0.000 1.049 473 P CB 0.983 32.370 31.700 -0.522 0.000 1.397 474 V N 2.437 122.383 119.914 0.053 0.000 2.680 474 V HA 0.102 4.223 4.120 0.001 0.000 0.309 474 V C 1.274 177.374 176.094 0.010 0.000 1.052 474 V CA -0.424 61.888 62.300 0.020 0.000 0.908 474 V CB 2.114 33.956 31.823 0.032 0.000 1.001 474 V HN 0.654 nan 8.190 nan 0.000 0.431 475 C N 3.340 122.625 119.300 -0.025 0.000 2.388 475 C HA -0.177 4.283 4.460 0.001 0.000 0.277 475 C C 2.803 177.662 174.990 -0.219 0.000 1.210 475 C CA 1.829 60.780 59.018 -0.112 0.000 1.743 475 C CB -0.908 26.790 27.740 -0.070 0.000 2.047 475 C HN 1.052 nan 8.230 nan 0.000 0.458 476 A N 0.870 123.664 122.820 -0.042 0.000 2.042 476 A HA -0.275 4.046 4.320 0.001 0.000 0.222 476 A C 1.957 179.647 177.584 0.176 0.000 1.167 476 A CA 2.146 54.269 52.037 0.144 0.000 0.649 476 A CB -0.906 18.279 19.000 0.309 0.000 0.809 476 A HN 0.886 nan 8.150 nan 0.000 0.457 477 E N -0.073 120.174 120.200 0.079 0.000 2.333 477 E HA -0.147 4.204 4.350 0.001 0.000 0.200 477 E C 1.450 178.049 176.600 -0.001 0.000 1.010 477 E CA 1.144 57.596 56.400 0.086 0.000 0.841 477 E CB -0.653 29.086 29.700 0.066 0.000 0.757 477 E HN 0.360 nan 8.360 nan 0.000 0.508 478 V N 0.109 119.910 119.914 -0.187 0.000 2.828 478 V HA -0.198 3.922 4.120 0.001 0.000 0.260 478 V C 1.065 176.952 176.094 -0.345 0.000 1.101 478 V CA 1.417 63.516 62.300 -0.334 0.000 1.123 478 V CB -0.650 30.782 31.823 -0.652 0.000 0.704 478 V HN 0.356 nan 8.190 nan 0.000 0.493 479 F N 0.626 120.503 119.950 -0.121 0.000 2.797 479 F HA 0.124 4.652 4.527 0.001 0.000 0.302 479 F C 2.177 177.981 175.800 0.006 0.000 1.130 479 F CA 0.993 58.926 58.000 -0.113 0.000 1.387 479 F CB -0.280 38.579 39.000 -0.235 0.000 1.107 479 F HN 0.354 nan 8.300 nan 0.000 0.577 480 T N -4.378 110.282 114.554 0.177 0.000 3.069 480 T HA 0.062 4.413 4.350 0.001 0.000 0.252 480 T C 0.976 175.722 174.700 0.077 0.000 1.053 480 T CA 0.760 62.944 62.100 0.140 0.000 0.964 480 T CB -0.417 68.525 68.868 0.123 0.000 1.005 480 T HN 0.154 nan 8.240 nan 0.000 0.532 481 T N -0.083 114.501 114.554 0.050 0.000 3.672 481 T HA 0.432 4.782 4.350 0.001 0.000 0.296 481 T C -0.087 174.639 174.700 0.044 0.000 0.979 481 T CA -0.626 61.498 62.100 0.039 0.000 1.013 481 T CB -0.706 68.173 68.868 0.018 0.000 1.184 481 T HN 0.283 nan 8.240 nan 0.000 0.477 482 L N 2.773 124.033 121.223 0.063 0.000 2.369 482 L HA 0.394 4.735 4.340 0.001 0.000 0.279 482 L C 1.522 178.526 176.870 0.224 0.000 1.108 482 L CA -0.129 54.773 54.840 0.104 0.000 0.852 482 L CB 0.987 43.115 42.059 0.115 0.000 1.169 482 L HN 0.574 nan 8.230 nan 0.000 0.452 483 S N 2.487 118.279 115.700 0.154 0.000 2.811 483 S HA 0.086 4.557 4.470 0.001 0.000 0.237 483 S C 0.627 175.236 174.600 0.015 0.000 1.038 483 S CA -0.187 58.091 58.200 0.129 0.000 0.881 483 S CB 0.173 63.418 63.200 0.076 0.000 0.815 483 S HN 0.223 nan 8.310 nan 0.000 0.582 484 V N 4.441 124.373 119.914 0.030 0.000 2.509 484 V HA 0.239 4.359 4.120 0.001 0.000 0.297 484 V C 0.847 176.930 176.094 -0.019 0.000 1.014 484 V CA 0.643 62.953 62.300 0.016 0.000 1.127 484 V CB -0.233 31.641 31.823 0.086 0.000 0.925 484 V HN 0.787 nan 8.190 nan 0.000 0.480 485 T N 2.002 116.452 114.554 -0.174 0.000 2.934 485 T HA 0.358 4.709 4.350 0.001 0.000 0.283 485 T C 0.673 175.226 174.700 -0.245 0.000 1.005 485 T CA -0.914 61.001 62.100 -0.308 0.000 1.041 485 T CB 1.330 69.919 68.868 -0.464 0.000 1.042 485 T HN 0.533 nan 8.240 nan 0.000 0.505 486 K N -0.298 119.852 120.400 -0.417 0.000 2.574 486 K HA 0.037 4.358 4.320 0.001 0.000 0.193 486 K C 2.039 178.537 176.600 -0.170 0.000 1.035 486 K CA 0.356 56.412 56.287 -0.384 0.000 0.982 486 K CB 0.030 32.282 32.500 -0.412 0.000 0.795 486 K HN 0.613 nan 8.250 nan 0.000 0.491 487 R N -1.347 119.063 120.500 -0.150 0.000 2.194 487 R HA 0.109 4.450 4.340 0.001 0.000 0.194 487 R C 1.705 177.962 176.300 -0.071 0.000 0.985 487 R CA 0.448 56.491 56.100 -0.095 0.000 1.104 487 R CB 0.068 30.312 30.300 -0.094 0.000 1.092 487 R HN -0.081 nan 8.270 nan 0.000 0.555 488 S N 0.009 115.657 115.700 -0.086 0.000 2.461 488 S HA -0.078 4.393 4.470 0.001 0.000 0.246 488 S C 1.387 175.972 174.600 -0.025 0.000 1.007 488 S CA 1.335 59.502 58.200 -0.056 0.000 0.976 488 S CB -0.258 62.905 63.200 -0.061 0.000 0.763 488 S HN 0.760 nan 8.310 nan 0.000 0.508 489 G N 1.002 109.792 108.800 -0.016 0.000 2.458 489 G HA2 -0.327 3.633 3.960 0.001 0.000 0.237 489 G HA3 -0.327 3.633 3.960 0.001 0.000 0.237 489 G C 0.402 175.318 174.900 0.026 0.000 1.113 489 G CA 0.217 45.319 45.100 0.004 0.000 0.655 489 G HN 1.194 nan 8.290 nan 0.000 0.513 490 A N 0.565 123.399 122.820 0.023 0.000 2.632 490 A HA 0.425 4.746 4.320 0.001 0.000 0.231 490 A C 1.016 178.636 177.584 0.060 0.000 1.027 490 A CA 1.598 53.656 52.037 0.034 0.000 0.759 490 A CB 0.028 19.045 19.000 0.029 0.000 0.939 490 A HN 1.399 nan 8.150 nan 0.000 0.505 491 S N -0.268 115.458 115.700 0.043 0.000 2.614 491 S HA 0.494 4.965 4.470 0.001 0.000 0.265 491 S C 0.780 175.414 174.600 0.056 0.000 1.303 491 S CA 0.294 58.522 58.200 0.047 0.000 1.000 491 S CB 0.363 63.572 63.200 0.016 0.000 0.935 491 S HN 0.910 nan 8.310 nan 0.000 0.551 492 I N -0.157 120.453 120.570 0.067 0.000 3.083 492 I HA 0.453 4.624 4.170 0.001 0.000 0.336 492 I C -1.296 174.868 176.117 0.078 0.000 1.497 492 I CA -0.274 61.082 61.300 0.093 0.000 0.936 492 I CB -0.144 37.903 38.000 0.079 0.000 1.671 492 I HN 0.168 nan 8.210 nan 0.000 0.535 493 L N 2.269 123.471 121.223 -0.036 0.000 2.313 493 L HA 0.607 4.947 4.340 0.001 0.000 0.283 493 L C -0.174 176.633 176.870 -0.106 0.000 1.013 493 L CA -0.356 54.390 54.840 -0.157 0.000 0.816 493 L CB 1.671 43.621 42.059 -0.181 0.000 1.236 493 L HN 0.329 nan 8.230 nan 0.000 0.419 494 Q N 2.367 122.092 119.800 -0.125 0.000 2.495 494 Q HA 0.907 5.247 4.340 0.001 0.000 0.283 494 Q C -1.025 174.907 176.000 -0.113 0.000 1.097 494 Q CA -1.056 54.703 55.803 -0.074 0.000 0.836 494 Q CB 3.091 31.822 28.738 -0.012 0.000 1.426 494 Q HN 0.702 nan 8.270 nan 0.000 0.459 495 A N -0.838 121.941 122.820 -0.070 0.000 2.513 495 A HA 0.663 4.984 4.320 0.001 0.000 0.296 495 A C 0.182 177.758 177.584 -0.014 0.000 1.052 495 A CA 0.321 52.305 52.037 -0.088 0.000 0.714 495 A CB 1.249 20.195 19.000 -0.090 0.000 1.279 495 A HN 0.882 nan 8.150 nan 0.000 0.397 496 G N -0.135 108.675 108.800 0.016 0.000 4.951 496 G HA2 -0.235 3.726 3.960 0.001 0.000 0.295 496 G HA3 -0.235 3.726 3.960 0.001 0.000 0.295 496 G C 1.537 176.549 174.900 0.187 0.000 1.540 496 G CA 1.540 46.702 45.100 0.104 0.000 1.044 496 G HN 2.459 nan 8.290 nan 0.000 0.731 497 C N -1.662 117.718 119.300 0.134 0.000 3.365 497 C HA 0.755 5.215 4.460 0.001 0.000 0.091 497 C C 2.375 177.430 174.990 0.109 0.000 2.568 497 C CA 1.724 60.825 59.018 0.138 0.000 1.072 497 C CB 0.475 28.275 27.740 0.101 0.000 1.971 497 C HN 1.217 nan 8.230 nan 0.000 0.550 498 C N 1.702 121.047 119.300 0.075 0.000 6.305 498 C HA 0.702 5.163 4.460 0.001 0.000 0.181 498 C C 1.332 176.349 174.990 0.045 0.000 2.017 498 C CA 1.701 60.754 59.018 0.058 0.000 1.655 498 C CB -0.263 27.503 27.740 0.043 0.000 1.988 498 C HN 1.651 nan 8.230 nan 0.000 0.284 499 G N 0.000 108.820 108.800 0.033 0.000 5.446 499 G HA2 0.000 3.961 3.960 0.001 0.000 0.244 499 G HA3 0.000 3.961 3.960 0.001 0.000 0.244 499 G CA 0.000 45.115 45.100 0.025 0.000 0.502 499 G HN 0.000 nan 8.290 nan 0.000 0.925