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 3eya_1_I DATA FIRST_RESID 1 DATA SEQUENCE MKQTVAAYIA KTLESAGVKR IWGVTGDSLN GLSDSLNRMG TIEWMSTRHE DATA SEQUENCE EVAAFAAGAE AQLSGELAVC AGSCGPGNLH LINGLFDCHR NHVPVLAIAA DATA SEQUENCE HIPSSEIGSG YFQETHPQEL FRECSHYCEL VSSPEQIPQV LAIAMRKAVL DATA SEQUENCE NRGVSVVVLP GDVALKPAPE GATMHWYHAP QPVVTPEEEE LRKLAQLLRY DATA SEQUENCE SSNIALMCGS GCAGAHKELV EFAGKIKAPI VHALRGKEHV EYDNPYDVGM DATA SEQUENCE TGLIGFSSGF HTMMNADTLV LLGTQFPYRA FYPTDAKIIQ IDINPASIGA DATA SEQUENCE HSKVDMALVG DIKSTLRALL PLVEEKADRK FLDKALEDYR DARKGLDDLA DATA SEQUENCE KPSEKAIHPQ YLAQQISHFA ADDAIFTCDV GTPTVWAARY LKMNGKRRLL DATA SEQUENCE GSFNHGSMAN AMPQALGAQA TEPERQVVAM CGDGGFSMLM GDFLSVVQMK DATA SEQUENCE LPVKIVVFNN SVLGFVXXXX XXXXXXXXGT ELHDTNFARI AEACGITGIR DATA SEQUENCE VEKASEVDEA LQRAFSIDGP VLVDVVVAKE ELAIP 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.326 176.300 0.043 0.000 1.140 1 M CA 0.000 55.331 55.300 0.051 0.000 0.988 1 M CB 0.000 32.647 32.600 0.079 0.000 1.302 2 K N 4.366 124.786 120.400 0.033 0.000 2.180 2 K HA 0.408 4.728 4.320 -0.001 0.000 0.250 2 K C -0.811 175.807 176.600 0.030 0.000 1.135 2 K CA 0.011 56.313 56.287 0.026 0.000 1.037 2 K CB 0.327 32.838 32.500 0.017 0.000 1.624 2 K HN 0.723 nan 8.250 nan 0.000 0.382 3 Q N 0.438 120.262 119.800 0.041 0.000 2.605 3 Q HA 0.388 4.728 4.340 -0.001 0.000 0.296 3 Q C -0.690 175.339 176.000 0.049 0.000 1.056 3 Q CA -1.135 54.698 55.803 0.050 0.000 0.778 3 Q CB 1.084 29.868 28.738 0.077 0.000 1.497 3 Q HN 0.304 nan 8.270 nan 0.000 0.443 4 T N -2.177 112.408 114.554 0.051 0.000 2.849 4 T HA 0.235 4.584 4.350 -0.001 0.000 0.284 4 T C 1.274 176.020 174.700 0.078 0.000 1.004 4 T CA -0.384 61.744 62.100 0.046 0.000 1.021 4 T CB 0.966 69.854 68.868 0.033 0.000 1.013 4 T HN 0.414 nan 8.240 nan 0.000 0.527 5 V N 1.799 121.748 119.914 0.059 0.000 2.287 5 V HA -0.163 3.956 4.120 -0.001 0.000 0.248 5 V C 3.107 179.280 176.094 0.131 0.000 1.053 5 V CA 2.475 64.826 62.300 0.085 0.000 1.027 5 V CB -1.629 30.223 31.823 0.047 0.000 0.646 5 V HN 1.087 nan 8.190 nan 0.000 0.447 6 A N -0.200 122.669 122.820 0.082 0.000 1.902 6 A HA -0.133 4.187 4.320 -0.001 0.000 0.217 6 A C 2.416 180.040 177.584 0.067 0.000 1.181 6 A CA 2.132 54.210 52.037 0.067 0.000 0.623 6 A CB -0.768 18.253 19.000 0.035 0.000 0.818 6 A HN 0.595 nan 8.150 nan 0.000 0.443 7 A N -1.506 121.356 122.820 0.070 0.000 1.933 7 A HA -0.108 4.211 4.320 -0.001 0.000 0.218 7 A C 2.126 179.752 177.584 0.070 0.000 1.175 7 A CA 1.645 53.716 52.037 0.057 0.000 0.628 7 A CB -0.806 18.226 19.000 0.055 0.000 0.814 7 A HN 0.762 nan 8.150 nan 0.000 0.444 8 Y N 0.602 120.909 120.300 0.012 0.000 2.145 8 Y HA -0.207 4.342 4.550 -0.001 0.000 0.286 8 Y C 1.966 177.873 175.900 0.012 0.000 1.145 8 Y CA 1.855 59.965 58.100 0.017 0.000 1.148 8 Y CB -0.272 38.201 38.460 0.021 0.000 0.981 8 Y HN 0.276 nan 8.280 nan 0.000 0.507 9 I N 0.167 120.764 120.570 0.045 0.000 2.179 9 I HA -0.349 3.820 4.170 -0.001 0.000 0.242 9 I C 2.702 178.750 176.117 -0.116 0.000 1.088 9 I CA 1.332 62.603 61.300 -0.048 0.000 1.357 9 I CB -0.831 37.199 38.000 0.050 0.000 1.051 9 I HN 0.354 nan 8.210 nan 0.000 0.409 10 A N 0.421 123.205 122.820 -0.059 0.000 1.902 10 A HA -0.197 4.122 4.320 -0.001 0.000 0.217 10 A C 2.348 179.878 177.584 -0.091 0.000 1.181 10 A CA 1.456 53.460 52.037 -0.054 0.000 0.623 10 A CB -0.380 18.609 19.000 -0.017 0.000 0.818 10 A HN 0.188 nan 8.150 nan 0.000 0.443 11 K N -0.543 119.791 120.400 -0.111 0.000 2.057 11 K HA -0.097 4.222 4.320 -0.001 0.000 0.207 11 K C 2.112 178.611 176.600 -0.168 0.000 1.049 11 K CA 1.846 58.064 56.287 -0.115 0.000 0.931 11 K CB -0.792 31.651 32.500 -0.096 0.000 0.714 11 K HN 0.539 nan 8.250 nan 0.000 0.440 12 T N 2.225 116.607 114.554 -0.287 0.000 2.777 12 T HA -0.049 4.301 4.350 -0.001 0.000 0.266 12 T C 2.034 176.580 174.700 -0.257 0.000 1.040 12 T CA 0.884 62.807 62.100 -0.294 0.000 1.141 12 T CB -0.146 68.463 68.868 -0.432 0.000 0.868 12 T HN 0.109 nan 8.240 nan 0.000 0.444 13 L N 0.864 121.944 121.223 -0.238 0.000 2.042 13 L HA -0.129 4.210 4.340 -0.001 0.000 0.210 13 L C 2.812 179.583 176.870 -0.164 0.000 1.076 13 L CA 1.514 56.219 54.840 -0.226 0.000 0.749 13 L CB -0.595 41.371 42.059 -0.154 0.000 0.893 13 L HN 0.360 nan 8.230 nan 0.000 0.432 14 E N -0.127 120.006 120.200 -0.112 0.000 2.085 14 E HA -0.279 4.070 4.350 -0.001 0.000 0.194 14 E C 2.333 178.901 176.600 -0.052 0.000 0.994 14 E CA 1.634 57.995 56.400 -0.065 0.000 0.801 14 E CB 0.011 29.686 29.700 -0.042 0.000 0.743 14 E HN 0.328 nan 8.360 nan 0.000 0.453 15 S N -0.493 115.165 115.700 -0.070 0.000 2.402 15 S HA -0.054 4.415 4.470 -0.001 0.000 0.229 15 S C 1.842 176.414 174.600 -0.046 0.000 1.021 15 S CA 1.003 59.179 58.200 -0.040 0.000 0.974 15 S CB -0.153 63.017 63.200 -0.049 0.000 0.800 15 S HN 0.398 nan 8.310 nan 0.000 0.484 16 A N -0.222 122.491 122.820 -0.179 0.000 2.235 16 A HA 0.460 4.779 4.320 -0.001 0.000 0.208 16 A C 1.669 179.280 177.584 0.045 0.000 1.172 16 A CA 0.945 52.803 52.037 -0.299 0.000 0.786 16 A CB -1.096 17.382 19.000 -0.871 0.000 0.804 16 A HN 1.373 nan 8.150 nan 0.000 0.479 17 G N -1.243 107.575 108.800 0.029 0.000 2.157 17 G HA2 -0.133 3.826 3.960 -0.001 0.000 0.239 17 G HA3 -0.133 3.826 3.960 -0.001 0.000 0.239 17 G C 0.502 175.399 174.900 -0.005 0.000 0.982 17 G CA 0.485 45.611 45.100 0.043 0.000 0.650 17 G HN 1.781 nan 8.290 nan 0.000 0.527 18 V N -0.212 119.674 119.914 -0.045 0.000 2.673 18 V HA 0.565 4.684 4.120 -0.001 0.000 0.303 18 V C 1.193 177.269 176.094 -0.029 0.000 1.046 18 V CA 1.428 63.704 62.300 -0.040 0.000 1.126 18 V CB 1.144 32.930 31.823 -0.061 0.000 0.934 18 V HN 0.351 nan 8.190 nan 0.000 0.487 19 K N 5.040 125.427 120.400 -0.022 0.000 2.370 19 K HA 0.292 4.611 4.320 -0.001 0.000 0.194 19 K C 0.375 176.936 176.600 -0.064 0.000 1.070 19 K CA 0.253 56.521 56.287 -0.032 0.000 0.998 19 K CB 0.381 32.869 32.500 -0.020 0.000 0.911 19 K HN 0.897 nan 8.250 nan 0.000 0.533 20 R N 0.156 120.607 120.500 -0.082 0.000 2.692 20 R HA 0.481 4.820 4.340 -0.001 0.000 0.269 20 R C -1.422 174.765 176.300 -0.188 0.000 1.030 20 R CA -0.767 55.218 56.100 -0.191 0.000 0.882 20 R CB 0.987 31.069 30.300 -0.362 0.000 1.250 20 R HN -0.143 nan 8.270 nan 0.000 0.465 21 I N 1.178 121.588 120.570 -0.267 0.000 2.465 21 I HA 0.393 4.563 4.170 -0.001 0.000 0.291 21 I C -1.075 174.681 176.117 -0.602 0.000 1.014 21 I CA -0.743 60.419 61.300 -0.230 0.000 1.093 21 I CB 1.634 39.631 38.000 -0.006 0.000 1.267 21 I HN 0.477 nan 8.210 nan 0.000 0.431 22 W N 5.008 126.058 121.300 -0.417 0.000 2.390 22 W HA 0.704 5.364 4.660 -0.001 0.000 0.312 22 W C 0.609 176.773 176.519 -0.591 0.000 1.123 22 W CA 0.008 57.051 57.345 -0.503 0.000 1.202 22 W CB 1.588 30.894 29.460 -0.257 0.000 1.251 22 W HN 0.617 nan 8.180 nan 0.000 0.511 23 G N 0.208 108.665 108.800 -0.571 0.000 2.428 23 G HA2 0.521 4.481 3.960 -0.001 0.000 0.305 23 G HA3 0.521 4.481 3.960 -0.001 0.000 0.305 23 G C -2.160 172.766 174.900 0.043 0.000 1.260 23 G CA -0.808 44.160 45.100 -0.220 0.000 0.853 23 G HN 0.267 nan 8.290 nan 0.000 0.480 24 V N 1.056 121.162 119.914 0.320 0.000 2.656 24 V HA 0.632 4.751 4.120 -0.001 0.000 0.307 24 V C 0.895 177.262 176.094 0.455 0.000 1.051 24 V CA -0.096 62.434 62.300 0.383 0.000 0.893 24 V CB 1.413 33.365 31.823 0.215 0.000 0.999 24 V HN 1.287 nan 8.190 nan 0.000 0.426 25 T N 1.319 116.090 114.554 0.361 0.000 2.652 25 T HA 0.700 5.049 4.350 -0.001 0.000 0.319 25 T C 0.321 175.064 174.700 0.071 0.000 1.029 25 T CA 0.231 62.388 62.100 0.096 0.000 0.990 25 T CB 1.209 70.015 68.868 -0.103 0.000 1.098 25 T HN 1.528 nan 8.240 nan 0.000 0.520 26 G N -0.854 107.951 108.800 0.008 0.000 2.387 26 G HA2 0.398 4.357 3.960 -0.001 0.000 0.294 26 G HA3 0.398 4.357 3.960 -0.001 0.000 0.294 26 G C -0.436 174.464 174.900 -0.001 0.000 1.509 26 G CA -0.568 44.544 45.100 0.021 0.000 0.806 26 G HN 0.482 nan 8.290 nan 0.000 0.546 27 D N 0.201 120.611 120.400 0.018 0.000 2.182 27 D HA -0.098 4.541 4.640 -0.001 0.000 0.201 27 D C 2.706 179.014 176.300 0.014 0.000 0.986 27 D CA 1.979 55.987 54.000 0.014 0.000 0.847 27 D CB 0.135 40.958 40.800 0.038 0.000 0.942 27 D HN 0.410 nan 8.370 nan 0.000 0.467 28 S N -0.575 115.143 115.700 0.030 0.000 2.507 28 S HA -0.050 4.419 4.470 -0.001 0.000 0.235 28 S C 1.649 176.261 174.600 0.020 0.000 0.988 28 S CA 0.373 58.593 58.200 0.033 0.000 0.944 28 S CB -0.196 63.034 63.200 0.050 0.000 0.762 28 S HN 0.248 nan 8.310 nan 0.000 0.526 29 L N 0.929 122.150 121.223 -0.003 0.000 2.700 29 L HA 0.302 4.642 4.340 -0.001 0.000 0.234 29 L C 1.435 178.258 176.870 -0.078 0.000 1.156 29 L CA -0.246 54.575 54.840 -0.032 0.000 0.946 29 L CB -0.241 41.788 42.059 -0.050 0.000 1.216 29 L HN 0.125 nan 8.230 nan 0.000 0.493 30 N N 1.145 119.810 118.700 -0.058 0.000 2.069 30 N HA -0.163 4.576 4.740 -0.001 0.000 0.191 30 N C 1.945 177.417 175.510 -0.062 0.000 1.031 30 N CA 1.648 54.657 53.050 -0.068 0.000 0.852 30 N CB -0.402 38.060 38.487 -0.042 0.000 1.018 30 N HN 0.359 nan 8.380 nan 0.000 0.423 31 G N 1.171 109.950 108.800 -0.035 0.000 2.491 31 G HA2 -0.234 3.725 3.960 -0.001 0.000 0.218 31 G HA3 -0.234 3.725 3.960 -0.001 0.000 0.218 31 G C 1.587 176.468 174.900 -0.031 0.000 1.180 31 G CA 0.851 45.938 45.100 -0.022 0.000 0.774 31 G HN 0.282 nan 8.290 nan 0.000 0.562 32 L N 1.013 122.214 121.223 -0.036 0.000 2.017 32 L HA -0.004 4.335 4.340 -0.001 0.000 0.208 32 L C 3.022 179.834 176.870 -0.097 0.000 1.073 32 L CA 2.449 57.266 54.840 -0.039 0.000 0.745 32 L CB -0.743 41.310 42.059 -0.011 0.000 0.894 32 L HN 0.191 nan 8.230 nan 0.000 0.432 33 S N -0.603 114.986 115.700 -0.185 0.000 2.359 33 S HA -0.267 4.202 4.470 -0.001 0.000 0.224 33 S C 1.674 176.181 174.600 -0.155 0.000 1.035 33 S CA 1.568 59.610 58.200 -0.265 0.000 1.018 33 S CB -0.591 62.405 63.200 -0.339 0.000 0.876 33 S HN 0.694 nan 8.310 nan 0.000 0.448 34 D N 1.237 121.573 120.400 -0.107 0.000 2.104 34 D HA -0.122 4.517 4.640 -0.001 0.000 0.194 34 D C 2.147 178.418 176.300 -0.049 0.000 0.994 34 D CA 1.756 55.714 54.000 -0.070 0.000 0.830 34 D CB -0.181 40.589 40.800 -0.049 0.000 0.959 34 D HN 0.459 nan 8.370 nan 0.000 0.452 35 S N -0.586 115.090 115.700 -0.039 0.000 2.414 35 S HA -0.045 4.425 4.470 -0.001 0.000 0.227 35 S C 2.252 176.840 174.600 -0.021 0.000 1.022 35 S CA 0.314 58.502 58.200 -0.020 0.000 0.958 35 S CB -0.649 62.548 63.200 -0.005 0.000 0.797 35 S HN 0.344 nan 8.310 nan 0.000 0.493 36 L N 1.923 123.128 121.223 -0.030 0.000 2.046 36 L HA -0.129 4.211 4.340 -0.001 0.000 0.208 36 L C 2.473 179.330 176.870 -0.022 0.000 1.077 36 L CA 1.752 56.584 54.840 -0.015 0.000 0.747 36 L CB -0.920 41.140 42.059 0.001 0.000 0.896 36 L HN 0.455 nan 8.230 nan 0.000 0.432 37 N N -0.404 118.269 118.700 -0.044 0.000 2.188 37 N HA -0.131 4.608 4.740 -0.001 0.000 0.184 37 N C 1.931 177.427 175.510 -0.024 0.000 1.018 37 N CA 0.651 53.679 53.050 -0.037 0.000 0.858 37 N CB -0.041 38.415 38.487 -0.052 0.000 0.989 37 N HN 0.277 nan 8.380 nan 0.000 0.426 38 R N 0.559 121.046 120.500 -0.022 0.000 2.092 38 R HA -0.014 4.325 4.340 -0.001 0.000 0.231 38 R C 2.173 178.468 176.300 -0.008 0.000 1.119 38 R CA 1.023 57.115 56.100 -0.013 0.000 0.970 38 R CB -0.174 30.120 30.300 -0.010 0.000 0.864 38 R HN 0.290 nan 8.270 nan 0.000 0.440 39 M N -0.601 118.995 119.600 -0.008 0.000 2.156 39 M HA -0.009 4.470 4.480 -0.001 0.000 0.264 39 M C 0.950 177.247 176.300 -0.004 0.000 1.067 39 M CA 1.685 56.983 55.300 -0.004 0.000 1.131 39 M CB 0.133 32.730 32.600 -0.005 0.000 1.368 39 M HN 0.448 nan 8.290 nan 0.000 0.416 40 G N 0.068 108.865 108.800 -0.004 0.000 2.225 40 G HA2 -0.307 3.652 3.960 -0.001 0.000 0.267 40 G HA3 -0.307 3.652 3.960 -0.001 0.000 0.267 40 G C 0.490 175.388 174.900 -0.004 0.000 1.024 40 G CA 0.911 46.009 45.100 -0.004 0.000 0.784 40 G HN 0.573 nan 8.290 nan 0.000 0.507 41 T N -2.954 111.597 114.554 -0.004 0.000 3.125 41 T HA 0.441 4.790 4.350 -0.001 0.000 0.252 41 T C 1.244 175.937 174.700 -0.011 0.000 0.981 41 T CA 0.311 62.407 62.100 -0.007 0.000 1.069 41 T CB 0.390 69.255 68.868 -0.006 0.000 1.091 41 T HN 0.357 nan 8.240 nan 0.000 0.460 42 I N 2.690 123.256 120.570 -0.007 0.000 2.496 42 I HA 0.296 4.465 4.170 -0.001 0.000 0.285 42 I C 0.277 176.393 176.117 -0.000 0.000 1.080 42 I CA -0.424 60.869 61.300 -0.011 0.000 1.404 42 I CB 1.081 39.080 38.000 -0.003 0.000 1.403 42 I HN 0.403 nan 8.210 nan 0.000 0.539 43 E N 7.161 127.338 120.200 -0.037 0.000 2.197 43 E HA 0.080 4.430 4.350 -0.001 0.000 0.281 43 E C -1.153 175.417 176.600 -0.050 0.000 0.995 43 E CA -0.732 55.642 56.400 -0.043 0.000 0.808 43 E CB 1.132 30.772 29.700 -0.101 0.000 1.093 43 E HN 0.565 nan 8.360 nan 0.000 0.394 44 W N 7.632 128.834 121.300 -0.163 0.000 2.335 44 W HA 0.213 4.872 4.660 -0.001 0.000 0.306 44 W C -1.349 175.029 176.519 -0.234 0.000 1.216 44 W CA -0.830 56.412 57.345 -0.172 0.000 1.237 44 W CB 1.072 30.472 29.460 -0.099 0.000 1.243 44 W HN 0.464 nan 8.180 nan 0.000 0.493 45 M N 6.023 125.059 119.600 -0.941 0.000 2.047 45 M HA 0.067 4.546 4.480 -0.001 0.000 0.342 45 M C -0.048 175.831 176.300 -0.702 0.000 1.058 45 M CA -0.306 54.494 55.300 -0.834 0.000 0.991 45 M CB 0.835 32.567 32.600 -1.447 0.000 1.474 45 M HN 0.272 nan 8.290 nan 0.000 0.419 46 S N 3.009 118.522 115.700 -0.312 0.000 2.430 46 S HA 0.493 4.962 4.470 -0.001 0.000 0.289 46 S C 0.409 175.033 174.600 0.040 0.000 1.143 46 S CA -0.373 57.795 58.200 -0.054 0.000 1.067 46 S CB 0.328 63.655 63.200 0.212 0.000 0.964 46 S HN 0.763 nan 8.310 nan 0.000 0.485 47 T N 3.138 117.741 114.554 0.083 0.000 2.910 47 T HA 0.528 4.877 4.350 -0.001 0.000 0.279 47 T C 1.081 175.861 174.700 0.133 0.000 0.989 47 T CA -0.887 61.293 62.100 0.133 0.000 0.968 47 T CB 0.726 69.695 68.868 0.170 0.000 1.135 47 T HN 0.432 nan 8.240 nan 0.000 0.562 48 R N -0.377 120.203 120.500 0.133 0.000 2.173 48 R HA 0.189 4.528 4.340 -0.001 0.000 0.208 48 R C 0.481 176.877 176.300 0.160 0.000 1.035 48 R CA 0.653 56.831 56.100 0.131 0.000 1.004 48 R CB -0.659 29.710 30.300 0.114 0.000 0.917 48 R HN 0.763 nan 8.270 nan 0.000 0.462 49 H N 0.084 119.194 119.070 0.068 0.000 2.759 49 H HA 0.197 4.752 4.556 -0.001 0.000 0.354 49 H C -0.084 175.287 175.328 0.071 0.000 1.074 49 H CA -0.277 55.797 56.048 0.042 0.000 1.226 49 H CB 1.804 31.536 29.762 -0.051 0.000 1.648 49 H HN -0.196 nan 8.280 nan 0.000 0.529 50 E N 2.422 122.753 120.200 0.218 0.000 2.204 50 E HA -0.168 4.182 4.350 -0.001 0.000 0.195 50 E C 1.674 178.436 176.600 0.270 0.000 0.990 50 E CA 1.131 57.675 56.400 0.241 0.000 0.821 50 E CB 0.246 30.080 29.700 0.222 0.000 0.750 50 E HN 0.740 nan 8.360 nan 0.000 0.477 51 E N 0.361 120.831 120.200 0.449 0.000 2.085 51 E HA -0.207 4.142 4.350 -0.001 0.000 0.194 51 E C 1.757 178.455 176.600 0.163 0.000 0.994 51 E CA 1.374 57.886 56.400 0.185 0.000 0.801 51 E CB 0.104 29.794 29.700 -0.016 0.000 0.743 51 E HN 0.130 nan 8.360 nan 0.000 0.453 52 V N 1.009 121.036 119.914 0.188 0.000 2.427 52 V HA -0.226 3.893 4.120 -0.001 0.000 0.248 52 V C 2.417 178.546 176.094 0.059 0.000 1.051 52 V CA 1.557 63.952 62.300 0.158 0.000 1.048 52 V CB -0.681 31.202 31.823 0.101 0.000 0.666 52 V HN 0.449 nan 8.190 nan 0.000 0.456 53 A N 0.251 123.118 122.820 0.078 0.000 1.908 53 A HA -0.188 4.131 4.320 -0.001 0.000 0.218 53 A C 2.439 179.951 177.584 -0.119 0.000 1.181 53 A CA 2.327 54.387 52.037 0.039 0.000 0.627 53 A CB -0.799 18.269 19.000 0.113 0.000 0.818 53 A HN 0.569 nan 8.150 nan 0.000 0.445 54 A N -1.255 121.513 122.820 -0.086 0.000 1.873 54 A HA 0.037 4.356 4.320 -0.001 0.000 0.215 54 A C 1.953 179.399 177.584 -0.231 0.000 1.186 54 A CA 1.523 53.453 52.037 -0.178 0.000 0.616 54 A CB -0.773 18.107 19.000 -0.199 0.000 0.823 54 A HN 0.430 nan 8.150 nan 0.000 0.442 55 F N 0.352 120.195 119.950 -0.177 0.000 2.095 55 F HA -0.179 4.348 4.527 -0.001 0.000 0.298 55 F C 2.840 178.441 175.800 -0.332 0.000 1.104 55 F CA 1.178 59.056 58.000 -0.204 0.000 1.232 55 F CB -0.718 38.182 39.000 -0.167 0.000 0.987 55 F HN 0.263 nan 8.300 nan 0.000 0.475 56 A N -0.209 122.425 122.820 -0.310 0.000 1.902 56 A HA -0.076 4.243 4.320 -0.001 0.000 0.217 56 A C 2.422 179.464 177.584 -0.904 0.000 1.181 56 A CA 1.831 53.408 52.037 -0.765 0.000 0.623 56 A CB -1.372 16.787 19.000 -1.401 0.000 0.818 56 A HN 0.322 nan 8.150 nan 0.000 0.443 57 A N -0.416 121.881 122.820 -0.872 0.000 1.908 57 A HA 0.079 4.398 4.320 -0.001 0.000 0.218 57 A C 2.446 179.889 177.584 -0.235 0.000 1.181 57 A CA 2.037 53.777 52.037 -0.496 0.000 0.627 57 A CB -1.484 17.374 19.000 -0.237 0.000 0.818 57 A HN 0.784 nan 8.150 nan 0.000 0.445 58 G N -0.549 108.132 108.800 -0.199 0.000 2.440 58 G HA2 -0.040 3.919 3.960 -0.001 0.000 0.218 58 G HA3 -0.040 3.919 3.960 -0.001 0.000 0.218 58 G C 1.729 176.577 174.900 -0.086 0.000 1.154 58 G CA 1.567 46.601 45.100 -0.110 0.000 0.767 58 G HN 0.838 nan 8.290 nan 0.000 0.552 59 A N 0.651 123.398 122.820 -0.122 0.000 1.898 59 A HA 0.001 4.320 4.320 -0.001 0.000 0.216 59 A C 2.153 179.699 177.584 -0.064 0.000 1.181 59 A CA 1.980 53.962 52.037 -0.091 0.000 0.620 59 A CB -0.453 18.473 19.000 -0.122 0.000 0.819 59 A HN 0.508 nan 8.150 nan 0.000 0.442 60 E N 0.049 120.197 120.200 -0.086 0.000 2.051 60 E HA -0.147 4.203 4.350 -0.001 0.000 0.192 60 E C 2.083 178.693 176.600 0.017 0.000 0.991 60 E CA 1.215 57.618 56.400 0.004 0.000 0.799 60 E CB -0.290 29.465 29.700 0.092 0.000 0.748 60 E HN 0.509 nan 8.360 nan 0.000 0.449 61 A N 0.603 123.424 122.820 0.001 0.000 1.930 61 A HA -0.236 4.084 4.320 -0.001 0.000 0.217 61 A C 2.133 179.734 177.584 0.028 0.000 1.175 61 A CA 1.686 53.733 52.037 0.018 0.000 0.627 61 A CB -0.641 18.365 19.000 0.011 0.000 0.815 61 A HN 0.354 nan 8.150 nan 0.000 0.443 62 Q N -0.096 119.717 119.800 0.021 0.000 2.061 62 Q HA -0.112 4.228 4.340 -0.001 0.000 0.204 62 Q C 1.823 177.853 176.000 0.050 0.000 0.984 62 Q CA 1.947 57.776 55.803 0.043 0.000 0.846 62 Q CB -0.412 28.346 28.738 0.033 0.000 0.902 62 Q HN 0.652 nan 8.270 nan 0.000 0.421 63 L N -0.383 120.859 121.223 0.032 0.000 2.095 63 L HA -0.065 4.274 4.340 -0.001 0.000 0.204 63 L C 2.472 179.361 176.870 0.033 0.000 1.080 63 L CA 1.243 56.102 54.840 0.031 0.000 0.759 63 L CB -0.430 41.639 42.059 0.016 0.000 0.914 63 L HN 0.324 nan 8.230 nan 0.000 0.439 64 S N -0.767 114.951 115.700 0.031 0.000 2.470 64 S HA 0.058 4.527 4.470 -0.001 0.000 0.225 64 S C 1.681 176.298 174.600 0.028 0.000 1.006 64 S CA 0.500 58.715 58.200 0.027 0.000 0.934 64 S CB 0.090 63.306 63.200 0.028 0.000 0.778 64 S HN 0.507 nan 8.310 nan 0.000 0.517 65 G N 0.464 109.286 108.800 0.038 0.000 2.155 65 G HA2 -0.244 3.715 3.960 -0.001 0.000 0.257 65 G HA3 -0.244 3.715 3.960 -0.001 0.000 0.257 65 G C -0.192 174.732 174.900 0.039 0.000 0.983 65 G CA 0.511 45.636 45.100 0.041 0.000 0.676 65 G HN 0.633 nan 8.290 nan 0.000 0.528 66 E N -1.371 118.851 120.200 0.035 0.000 2.359 66 E HA 0.623 4.972 4.350 -0.001 0.000 0.266 66 E C -0.082 176.538 176.600 0.032 0.000 0.920 66 E CA -1.301 55.120 56.400 0.036 0.000 0.788 66 E CB 1.714 31.427 29.700 0.022 0.000 1.279 66 E HN 0.184 nan 8.360 nan 0.000 0.438 67 L N 2.011 123.248 121.223 0.023 0.000 2.601 67 L HA 0.173 4.512 4.340 -0.001 0.000 0.277 67 L C -0.703 176.166 176.870 -0.001 0.000 1.219 67 L CA 0.829 55.665 54.840 -0.007 0.000 0.915 67 L CB -0.152 41.863 42.059 -0.073 0.000 1.160 67 L HN 0.585 nan 8.230 nan 0.000 0.494 68 A N 4.797 127.623 122.820 0.009 0.000 2.350 68 A HA 0.885 5.204 4.320 -0.001 0.000 0.318 68 A C -1.182 176.418 177.584 0.027 0.000 1.132 68 A CA -0.593 51.469 52.037 0.041 0.000 0.811 68 A CB 1.730 20.761 19.000 0.053 0.000 1.313 68 A HN 0.549 nan 8.150 nan 0.000 0.454 69 V N -0.075 119.885 119.914 0.076 0.000 2.760 69 V HA 0.552 4.671 4.120 -0.001 0.000 0.309 69 V C -0.203 175.948 176.094 0.095 0.000 1.077 69 V CA -0.570 61.756 62.300 0.044 0.000 0.910 69 V CB 1.117 32.949 31.823 0.014 0.000 1.008 69 V HN 1.469 nan 8.190 nan 0.000 0.424 70 C N 2.010 121.331 119.300 0.034 0.000 3.044 70 C HA 1.077 5.536 4.460 -0.001 0.000 0.315 70 C C -0.071 174.930 174.990 0.017 0.000 1.320 70 C CA -0.542 58.497 59.018 0.035 0.000 1.582 70 C CB 1.174 28.919 27.740 0.009 0.000 2.039 70 C HN 1.493 nan 8.230 nan 0.000 0.466 71 A N 0.205 123.051 122.820 0.043 0.000 2.572 71 A HA 1.004 5.323 4.320 -0.001 0.000 0.295 71 A C -0.479 177.197 177.584 0.153 0.000 1.072 71 A CA 0.255 52.363 52.037 0.119 0.000 0.691 71 A CB 1.365 20.527 19.000 0.270 0.000 1.291 71 A HN 2.426 nan 8.150 nan 0.000 0.404 72 G N 0.155 109.035 108.800 0.135 0.000 2.659 72 G HA2 0.646 4.606 3.960 -0.001 0.000 0.296 72 G HA3 0.646 4.606 3.960 -0.001 0.000 0.296 72 G C -0.071 174.904 174.900 0.125 0.000 1.369 72 G CA 0.241 45.426 45.100 0.141 0.000 0.937 72 G HN 1.562 nan 8.290 nan 0.000 0.485 73 S N -1.042 114.724 115.700 0.110 0.000 2.633 73 S HA 0.427 4.896 4.470 -0.001 0.000 0.257 73 S C 1.159 175.795 174.600 0.060 0.000 1.265 73 S CA -0.037 58.209 58.200 0.077 0.000 0.980 73 S CB 0.181 63.415 63.200 0.056 0.000 1.017 73 S HN 1.549 nan 8.310 nan 0.000 0.577 74 C N -0.147 119.182 119.300 0.050 0.000 2.656 74 C HA 0.733 5.192 4.460 -0.001 0.000 0.391 74 C C 1.851 176.842 174.990 0.000 0.000 1.300 74 C CA 0.012 59.069 59.018 0.064 0.000 2.302 74 C CB -0.942 26.841 27.740 0.071 0.000 2.655 74 C HN 1.812 nan 8.230 nan 0.000 0.656 75 G N 3.331 112.146 108.800 0.026 0.000 2.602 75 G HA2 -0.244 3.715 3.960 -0.001 0.000 0.310 75 G HA3 -0.244 3.715 3.960 -0.001 0.000 0.310 75 G C -1.155 173.702 174.900 -0.073 0.000 1.183 75 G CA 0.585 45.658 45.100 -0.044 0.000 0.979 75 G HN 0.606 nan 8.290 nan 0.000 0.545 76 P HA -0.017 nan 4.420 nan 0.000 0.218 76 P C 2.017 179.146 177.300 -0.285 0.000 1.148 76 P CA 2.617 65.566 63.100 -0.252 0.000 0.822 76 P CB -0.727 30.793 31.700 -0.301 0.000 0.784 77 G N 1.282 109.994 108.800 -0.146 0.000 2.511 77 G HA2 -0.311 3.649 3.960 -0.001 0.000 0.216 77 G HA3 -0.311 3.649 3.960 -0.001 0.000 0.216 77 G C 1.394 176.325 174.900 0.051 0.000 1.218 77 G CA 1.373 46.444 45.100 -0.049 0.000 0.788 77 G HN 0.438 nan 8.290 nan 0.000 0.560 78 N N 0.230 118.985 118.700 0.092 0.000 2.331 78 N HA 0.001 4.740 4.740 -0.001 0.000 0.180 78 N C 1.963 177.655 175.510 0.304 0.000 1.019 78 N CA 1.134 54.289 53.050 0.174 0.000 0.881 78 N CB -0.432 38.157 38.487 0.169 0.000 0.972 78 N HN 0.271 nan 8.380 nan 0.000 0.435 79 L N 0.772 122.110 121.223 0.191 0.000 2.079 79 L HA -0.120 4.219 4.340 -0.001 0.000 0.210 79 L C 1.846 178.875 176.870 0.264 0.000 1.081 79 L CA 1.795 56.735 54.840 0.167 0.000 0.752 79 L CB -1.069 41.001 42.059 0.018 0.000 0.896 79 L HN 0.362 nan 8.230 nan 0.000 0.433 80 H N -1.377 117.779 119.070 0.142 0.000 2.489 80 H HA -0.122 4.434 4.556 -0.001 0.000 0.295 80 H C 2.054 177.513 175.328 0.218 0.000 1.082 80 H CA 0.933 57.091 56.048 0.184 0.000 1.295 80 H CB 0.058 29.850 29.762 0.051 0.000 1.380 80 H HN 0.362 nan 8.280 nan 0.000 0.548 81 L N 0.018 121.425 121.223 0.307 0.000 2.291 81 L HA -0.116 4.223 4.340 -0.001 0.000 0.214 81 L C 2.382 179.354 176.870 0.169 0.000 1.120 81 L CA 0.346 55.290 54.840 0.173 0.000 0.799 81 L CB -0.115 41.984 42.059 0.067 0.000 0.925 81 L HN 0.337 nan 8.230 nan 0.000 0.446 82 I N 0.645 121.408 120.570 0.322 0.000 2.163 82 I HA -0.375 3.794 4.170 -0.001 0.000 0.243 82 I C 2.329 178.596 176.117 0.249 0.000 1.085 82 I CA 1.721 63.250 61.300 0.382 0.000 1.347 82 I CB 0.038 38.225 38.000 0.313 0.000 1.044 82 I HN 0.379 nan 8.210 nan 0.000 0.408 83 N N 0.638 119.420 118.700 0.136 0.000 2.188 83 N HA -0.118 4.621 4.740 -0.001 0.000 0.184 83 N C 1.778 177.161 175.510 -0.212 0.000 1.018 83 N CA 1.632 54.724 53.050 0.069 0.000 0.858 83 N CB -0.394 38.147 38.487 0.091 0.000 0.989 83 N HN 0.406 nan 8.380 nan 0.000 0.426 84 G N 0.130 108.669 108.800 -0.435 0.000 2.421 84 G HA2 -0.101 3.858 3.960 -0.001 0.000 0.217 84 G HA3 -0.101 3.858 3.960 -0.001 0.000 0.217 84 G C 1.493 176.093 174.900 -0.499 0.000 1.143 84 G CA 0.387 44.934 45.100 -0.923 0.000 0.784 84 G HN 0.302 nan 8.290 nan 0.000 0.541 85 L N -0.831 120.239 121.223 -0.254 0.000 2.093 85 L HA 0.049 4.388 4.340 -0.001 0.000 0.208 85 L C 2.605 179.332 176.870 -0.238 0.000 1.085 85 L CA 0.601 55.308 54.840 -0.221 0.000 0.755 85 L CB -0.405 41.536 42.059 -0.196 0.000 0.904 85 L HN 0.116 nan 8.230 nan 0.000 0.435 86 F N 0.752 120.499 119.950 -0.339 0.000 2.126 86 F HA -0.287 4.239 4.527 -0.001 0.000 0.299 86 F C 2.336 177.840 175.800 -0.493 0.000 1.096 86 F CA 2.046 59.749 58.000 -0.495 0.000 1.255 86 F CB -0.297 38.115 39.000 -0.981 0.000 0.997 86 F HN 0.172 nan 8.300 nan 0.000 0.479 87 D N -0.731 119.493 120.400 -0.294 0.000 2.097 87 D HA -0.186 4.453 4.640 -0.001 0.000 0.195 87 D C 2.248 178.493 176.300 -0.093 0.000 0.989 87 D CA 1.612 55.550 54.000 -0.102 0.000 0.827 87 D CB -0.303 40.474 40.800 -0.039 0.000 0.966 87 D HN 0.240 nan 8.370 nan 0.000 0.456 88 C N -0.438 118.776 119.300 -0.143 0.000 2.413 88 C HA -0.120 4.339 4.460 -0.001 0.000 0.276 88 C C 2.545 177.495 174.990 -0.067 0.000 1.236 88 C CA 1.151 60.108 59.018 -0.100 0.000 1.735 88 C CB -1.451 26.217 27.740 -0.120 0.000 2.031 88 C HN 0.516 nan 8.230 nan 0.000 0.474 89 H N 0.674 119.632 119.070 -0.187 0.000 2.357 89 H HA -0.021 4.535 4.556 -0.001 0.000 0.301 89 H C 2.428 177.690 175.328 -0.110 0.000 1.082 89 H CA 1.482 57.428 56.048 -0.169 0.000 1.342 89 H CB -0.097 29.501 29.762 -0.273 0.000 1.389 89 H HN 0.174 nan 8.280 nan 0.000 0.511 90 R N 0.250 120.685 120.500 -0.109 0.000 2.148 90 R HA -0.023 4.316 4.340 -0.001 0.000 0.227 90 R C 1.086 177.130 176.300 -0.425 0.000 1.103 90 R CA 0.789 56.792 56.100 -0.162 0.000 0.983 90 R CB -0.271 30.049 30.300 0.032 0.000 0.874 90 R HN 0.437 nan 8.270 nan 0.000 0.451 91 N N 0.455 118.971 118.700 -0.306 0.000 2.461 91 N HA -0.047 4.692 4.740 -0.001 0.000 0.188 91 N C -0.540 174.780 175.510 -0.317 0.000 1.134 91 N CA 0.231 53.095 53.050 -0.310 0.000 0.878 91 N CB -0.192 38.236 38.487 -0.099 0.000 0.972 91 N HN 0.400 nan 8.380 nan 0.000 0.456 92 H N -2.140 116.907 119.070 -0.038 0.000 2.756 92 H HA -0.111 4.444 4.556 -0.001 0.000 0.315 92 H C -0.379 174.956 175.328 0.011 0.000 1.210 92 H CA 0.219 56.247 56.048 -0.033 0.000 1.150 92 H CB -2.178 27.583 29.762 -0.003 0.000 1.463 92 H HN 0.039 nan 8.280 nan 0.000 0.427 93 V N -2.105 117.854 119.914 0.075 0.000 2.715 93 V HA 0.625 4.745 4.120 -0.001 0.000 0.310 93 V C -2.268 173.866 176.094 0.068 0.000 1.054 93 V CA -2.651 59.690 62.300 0.068 0.000 0.928 93 V CB 2.365 34.207 31.823 0.032 0.000 1.007 93 V HN -0.015 nan 8.190 nan 0.000 0.437 94 P HA 0.296 nan 4.420 nan 0.000 0.274 94 P C -0.742 176.578 177.300 0.033 0.000 1.291 94 P CA 0.137 63.283 63.100 0.076 0.000 0.815 94 P CB 1.059 32.802 31.700 0.073 0.000 0.897 95 V N 5.586 125.512 119.914 0.020 0.000 2.623 95 V HA 0.281 4.400 4.120 -0.001 0.000 0.304 95 V C -0.082 175.989 176.094 -0.038 0.000 1.054 95 V CA -0.862 61.424 62.300 -0.023 0.000 0.882 95 V CB 2.299 34.087 31.823 -0.057 0.000 1.002 95 V HN 0.348 nan 8.190 nan 0.000 0.424 96 L N 4.755 125.950 121.223 -0.046 0.000 2.282 96 L HA 0.895 5.235 4.340 -0.001 0.000 0.288 96 L C 0.245 177.070 176.870 -0.075 0.000 1.033 96 L CA 0.035 54.841 54.840 -0.057 0.000 0.807 96 L CB 1.251 43.274 42.059 -0.062 0.000 1.209 96 L HN 0.780 nan 8.230 nan 0.000 0.423 97 A N 6.535 129.284 122.820 -0.117 0.000 2.288 97 A HA 0.674 4.993 4.320 -0.001 0.000 0.320 97 A C -0.544 176.969 177.584 -0.118 0.000 1.217 97 A CA -0.465 51.478 52.037 -0.155 0.000 0.840 97 A CB 0.218 19.031 19.000 -0.311 0.000 1.179 97 A HN 0.711 nan 8.150 nan 0.000 0.504 98 I N 2.747 123.284 120.570 -0.055 0.000 2.291 98 I HA 0.376 4.546 4.170 -0.001 0.000 0.290 98 I C 0.667 176.777 176.117 -0.012 0.000 1.050 98 I CA -0.027 61.265 61.300 -0.013 0.000 1.245 98 I CB 1.528 39.552 38.000 0.041 0.000 1.405 98 I HN 0.680 nan 8.210 nan 0.000 0.478 99 A N 6.220 129.019 122.820 -0.035 0.000 2.366 99 A HA 0.741 5.061 4.320 -0.001 0.000 0.322 99 A C 0.494 178.111 177.584 0.055 0.000 1.397 99 A CA -0.490 51.546 52.037 -0.002 0.000 0.984 99 A CB 0.202 19.186 19.000 -0.025 0.000 1.149 99 A HN 0.776 nan 8.150 nan 0.000 0.540 100 A N 2.284 125.153 122.820 0.082 0.000 2.466 100 A HA 0.502 4.821 4.320 -0.001 0.000 0.238 100 A C 0.143 177.824 177.584 0.162 0.000 1.074 100 A CA 0.305 52.404 52.037 0.104 0.000 0.774 100 A CB -0.001 19.050 19.000 0.086 0.000 1.015 100 A HN 1.036 nan 8.150 nan 0.000 0.498 101 H N 0.042 119.125 119.070 0.022 0.000 2.949 101 H HA 0.602 5.157 4.556 -0.001 0.000 0.356 101 H C 0.080 175.412 175.328 0.007 0.000 1.212 101 H CA -0.756 55.297 56.048 0.008 0.000 1.136 101 H CB 0.965 30.727 29.762 -0.001 0.000 1.869 101 H HN 0.726 nan 8.280 nan 0.000 0.556 102 I N 0.007 120.382 120.570 -0.326 0.000 3.194 102 I HA 0.361 4.530 4.170 -0.001 0.000 0.283 102 I C -2.123 173.827 176.117 -0.279 0.000 1.199 102 I CA -2.026 59.142 61.300 -0.220 0.000 1.328 102 I CB 0.055 37.955 38.000 -0.166 0.000 1.404 102 I HN 0.346 nan 8.210 nan 0.000 0.618 103 P HA 0.018 nan 4.420 nan 0.000 0.268 103 P C 0.509 177.663 177.300 -0.243 0.000 1.204 103 P CA -0.007 62.980 63.100 -0.188 0.000 0.768 103 P CB 0.861 32.448 31.700 -0.187 0.000 0.842 104 S N 1.437 117.036 115.700 -0.168 0.000 2.419 104 S HA -0.174 4.295 4.470 -0.001 0.000 0.233 104 S C 1.737 176.250 174.600 -0.144 0.000 1.016 104 S CA 1.484 59.597 58.200 -0.145 0.000 0.974 104 S CB -1.336 61.822 63.200 -0.069 0.000 0.786 104 S HN 0.518 nan 8.310 nan 0.000 0.492 105 S N 1.552 117.160 115.700 -0.154 0.000 2.447 105 S HA 0.006 4.475 4.470 -0.001 0.000 0.233 105 S C 1.417 175.905 174.600 -0.186 0.000 1.006 105 S CA 0.678 58.793 58.200 -0.141 0.000 0.957 105 S CB -0.327 62.797 63.200 -0.127 0.000 0.773 105 S HN 0.498 nan 8.310 nan 0.000 0.507 106 E N 0.849 120.870 120.200 -0.297 0.000 2.472 106 E HA 0.349 4.698 4.350 -0.001 0.000 0.196 106 E C 0.396 176.876 176.600 -0.200 0.000 1.033 106 E CA -0.268 55.911 56.400 -0.368 0.000 0.886 106 E CB -0.204 28.927 29.700 -0.948 0.000 0.944 106 E HN 0.606 nan 8.360 nan 0.000 0.492 107 I N 1.087 121.553 120.570 -0.174 0.000 2.775 107 I HA -0.037 4.132 4.170 -0.001 0.000 0.290 107 I C 1.430 177.536 176.117 -0.019 0.000 1.203 107 I CA 1.311 62.546 61.300 -0.108 0.000 1.433 107 I CB 0.313 38.255 38.000 -0.096 0.000 1.354 107 I HN 0.287 nan 8.210 nan 0.000 0.579 108 G N 3.865 112.688 108.800 0.039 0.000 2.157 108 G HA2 -0.283 3.676 3.960 -0.001 0.000 0.239 108 G HA3 -0.283 3.676 3.960 -0.001 0.000 0.239 108 G C 0.657 175.602 174.900 0.076 0.000 0.982 108 G CA 0.421 45.575 45.100 0.090 0.000 0.650 108 G HN 0.775 nan 8.290 nan 0.000 0.527 109 S N -0.718 115.026 115.700 0.074 0.000 2.559 109 S HA 0.490 4.959 4.470 -0.001 0.000 0.226 109 S C 1.678 176.345 174.600 0.113 0.000 1.000 109 S CA 1.048 59.297 58.200 0.082 0.000 0.948 109 S CB 0.770 64.013 63.200 0.071 0.000 0.870 109 S HN 2.270 nan 8.310 nan 0.000 0.497 110 G N 1.268 110.144 108.800 0.127 0.000 2.289 110 G HA2 -0.286 3.674 3.960 -0.001 0.000 0.280 110 G HA3 -0.286 3.674 3.960 -0.001 0.000 0.280 110 G C -0.323 174.674 174.900 0.163 0.000 1.089 110 G CA 0.057 45.232 45.100 0.124 0.000 0.939 110 G HN 0.635 nan 8.290 nan 0.000 0.499 111 Y N -0.234 120.087 120.300 0.036 0.000 2.299 111 Y HA 0.594 5.143 4.550 -0.001 0.000 0.335 111 Y C 0.853 176.814 175.900 0.101 0.000 1.287 111 Y CA -1.630 56.506 58.100 0.060 0.000 1.424 111 Y CB 0.331 38.806 38.460 0.025 0.000 1.326 111 Y HN 0.418 nan 8.280 nan 0.000 0.567 112 F N 4.692 124.159 119.950 -0.806 0.000 2.579 112 F HA -0.076 4.450 4.527 -0.001 0.000 0.397 112 F C 0.892 176.545 175.800 -0.245 0.000 1.027 112 F CA 0.955 58.614 58.000 -0.568 0.000 1.217 112 F CB -0.050 38.480 39.000 -0.784 0.000 0.986 112 F HN 0.787 nan 8.300 nan 0.000 0.551 113 Q N 0.809 120.249 119.800 -0.600 0.000 2.362 113 Q HA -0.339 4.001 4.340 -0.001 0.000 0.220 113 Q C 0.255 176.162 176.000 -0.155 0.000 0.713 113 Q CA 1.337 56.856 55.803 -0.473 0.000 1.345 113 Q CB -1.547 26.799 28.738 -0.652 0.000 1.570 113 Q HN 0.855 nan 8.270 nan 0.000 0.701 114 E N 1.564 121.739 120.200 -0.041 0.000 2.480 114 E HA 0.128 4.477 4.350 -0.001 0.000 0.258 114 E C 0.223 176.849 176.600 0.043 0.000 0.984 114 E CA 1.114 57.535 56.400 0.035 0.000 0.930 114 E CB 0.568 30.317 29.700 0.081 0.000 0.936 114 E HN 0.279 nan 8.360 nan 0.000 0.466 115 T N 1.518 116.113 114.554 0.069 0.000 2.804 115 T HA 0.375 4.724 4.350 -0.001 0.000 0.290 115 T C -0.864 173.849 174.700 0.022 0.000 1.099 115 T CA -0.941 61.213 62.100 0.089 0.000 1.011 115 T CB 1.001 69.888 68.868 0.032 0.000 1.291 115 T HN 0.487 nan 8.240 nan 0.000 0.523 116 H N 0.813 119.875 119.070 -0.013 0.000 2.418 116 H HA 0.405 4.960 4.556 -0.001 0.000 0.238 116 H C -2.182 173.063 175.328 -0.138 0.000 1.403 116 H CA -1.818 54.192 56.048 -0.064 0.000 1.419 116 H CB 1.141 30.885 29.762 -0.029 0.000 1.463 116 H HN 0.394 nan 8.280 nan 0.000 0.515 117 P HA -0.220 nan 4.420 nan 0.000 0.218 117 P C 1.695 179.031 177.300 0.059 0.000 1.148 117 P CA 0.992 64.077 63.100 -0.025 0.000 0.822 117 P CB 0.437 32.184 31.700 0.080 0.000 0.784 118 Q N 0.271 120.062 119.800 -0.015 0.000 2.364 118 Q HA -0.163 4.176 4.340 -0.001 0.000 0.209 118 Q C 1.307 177.304 176.000 -0.004 0.000 0.977 118 Q CA 1.639 57.441 55.803 -0.001 0.000 0.885 118 Q CB -0.810 27.907 28.738 -0.034 0.000 0.941 118 Q HN 0.370 nan 8.270 nan 0.000 0.464 119 E N 0.607 120.802 120.200 -0.007 0.000 2.127 119 E HA 0.113 4.462 4.350 -0.001 0.000 0.191 119 E C 2.256 178.806 176.600 -0.085 0.000 0.964 119 E CA 0.251 56.629 56.400 -0.037 0.000 0.832 119 E CB 0.042 29.720 29.700 -0.036 0.000 0.790 119 E HN 0.170 nan 8.360 nan 0.000 0.465 120 L N 0.169 121.290 121.223 -0.170 0.000 2.081 120 L HA -0.173 4.166 4.340 -0.001 0.000 0.212 120 L C 1.587 178.247 176.870 -0.351 0.000 1.080 120 L CA 1.164 55.806 54.840 -0.330 0.000 0.754 120 L CB -0.219 41.484 42.059 -0.592 0.000 0.893 120 L HN 0.123 nan 8.230 nan 0.000 0.433 121 F N -0.990 118.912 119.950 -0.081 0.000 2.732 121 F HA 0.098 4.624 4.527 -0.001 0.000 0.303 121 F C 2.219 177.891 175.800 -0.213 0.000 1.110 121 F CA -0.059 57.850 58.000 -0.153 0.000 1.355 121 F CB -0.433 38.471 39.000 -0.161 0.000 1.081 121 F HN -0.155 nan 8.300 nan 0.000 0.565 122 R N 0.564 121.045 120.500 -0.033 0.000 2.091 122 R HA -0.196 4.143 4.340 -0.001 0.000 0.238 122 R C 2.221 178.441 176.300 -0.133 0.000 1.136 122 R CA 1.760 57.814 56.100 -0.076 0.000 0.959 122 R CB -0.277 29.992 30.300 -0.051 0.000 0.856 122 R HN 0.333 nan 8.270 nan 0.000 0.437 123 E N 0.030 120.158 120.200 -0.120 0.000 2.150 123 E HA -0.162 4.187 4.350 -0.001 0.000 0.193 123 E C 0.600 176.948 176.600 -0.420 0.000 0.985 123 E CA 1.257 57.581 56.400 -0.127 0.000 0.814 123 E CB 0.141 29.893 29.700 0.087 0.000 0.752 123 E HN 0.555 nan 8.360 nan 0.000 0.466 124 C N 0.819 119.677 119.300 -0.737 0.000 2.336 124 C HA 0.574 5.033 4.460 -0.001 0.000 0.332 124 C C 0.276 174.650 174.990 -1.026 0.000 1.375 124 C CA -0.452 57.913 59.018 -1.087 0.000 1.785 124 C CB -1.679 25.089 27.740 -1.619 0.000 2.407 124 C HN 0.193 nan 8.230 nan 0.000 0.562 125 S N -1.204 113.869 115.700 -1.045 0.000 2.615 125 S HA 0.490 4.959 4.470 -0.001 0.000 0.269 125 S C -0.106 174.107 174.600 -0.644 0.000 1.161 125 S CA -0.468 57.140 58.200 -0.986 0.000 0.817 125 S CB 0.413 63.344 63.200 -0.447 0.000 1.131 125 S HN 0.680 nan 8.310 nan 0.000 0.467 126 H N -0.268 118.749 119.070 -0.087 0.000 2.594 126 H HA 0.366 4.921 4.556 -0.001 0.000 0.279 126 H C -0.818 174.595 175.328 0.142 0.000 1.042 126 H CA -0.224 55.875 56.048 0.087 0.000 1.177 126 H CB 0.305 30.183 29.762 0.194 0.000 1.524 126 H HN 0.636 nan 8.280 nan 0.000 0.537 127 Y N 0.688 121.049 120.300 0.101 0.000 2.436 127 Y HA 0.404 4.953 4.550 -0.001 0.000 0.327 127 Y C -1.937 173.963 175.900 0.000 0.000 1.138 127 Y CA -1.445 56.703 58.100 0.081 0.000 1.042 127 Y CB 1.904 40.445 38.460 0.134 0.000 1.302 127 Y HN 0.253 nan 8.280 nan 0.000 0.439 128 C N 7.119 126.090 119.300 -0.548 0.000 2.887 128 C HA 0.662 5.121 4.460 -0.001 0.000 0.379 128 C C -1.954 172.801 174.990 -0.393 0.000 1.064 128 C CA -0.102 58.725 59.018 -0.317 0.000 1.282 128 C CB 0.121 27.773 27.740 -0.146 0.000 1.749 128 C HN 0.868 nan 8.230 nan 0.000 0.489 129 E N 3.155 123.179 120.200 -0.293 0.000 2.390 129 E HA 0.415 4.764 4.350 -0.001 0.000 0.277 129 E C -1.492 175.077 176.600 -0.051 0.000 0.939 129 E CA -0.727 55.558 56.400 -0.190 0.000 0.769 129 E CB 2.287 31.859 29.700 -0.214 0.000 1.251 129 E HN 0.606 nan 8.360 nan 0.000 0.450 130 L N 1.503 122.711 121.223 -0.026 0.000 2.276 130 L HA 0.267 4.606 4.340 -0.001 0.000 0.286 130 L C -0.855 176.038 176.870 0.039 0.000 1.061 130 L CA -0.485 54.362 54.840 0.010 0.000 0.807 130 L CB 1.191 43.262 42.059 0.020 0.000 1.177 130 L HN 0.281 nan 8.230 nan 0.000 0.429 131 V N 5.962 125.910 119.914 0.056 0.000 2.322 131 V HA 0.197 4.316 4.120 -0.001 0.000 0.258 131 V C 1.054 177.180 176.094 0.052 0.000 1.074 131 V CA 0.163 62.498 62.300 0.058 0.000 0.909 131 V CB 0.134 31.996 31.823 0.065 0.000 1.090 131 V HN 1.028 nan 8.190 nan 0.000 0.486 132 S N 2.283 118.009 115.700 0.042 0.000 2.458 132 S HA 0.020 4.490 4.470 -0.001 0.000 0.223 132 S C 0.961 175.572 174.600 0.019 0.000 1.019 132 S CA 0.565 58.785 58.200 0.033 0.000 0.937 132 S CB 0.258 63.475 63.200 0.028 0.000 0.788 132 S HN 0.688 nan 8.310 nan 0.000 0.511 133 S N 0.540 116.250 115.700 0.018 0.000 2.521 133 S HA 0.456 4.926 4.470 -0.001 0.000 0.295 133 S C -2.514 172.086 174.600 0.001 0.000 1.098 133 S CA -1.793 56.411 58.200 0.006 0.000 0.999 133 S CB 1.564 64.767 63.200 0.005 0.000 1.034 133 S HN -0.172 nan 8.310 nan 0.000 0.483 134 P HA -0.089 nan 4.420 nan 0.000 0.217 134 P C 0.993 178.264 177.300 -0.049 0.000 1.148 134 P CA 0.983 64.066 63.100 -0.028 0.000 0.828 134 P CB 0.152 31.833 31.700 -0.032 0.000 0.783 135 E N -0.320 119.859 120.200 -0.036 0.000 2.333 135 E HA -0.179 4.170 4.350 -0.001 0.000 0.198 135 E C 1.905 178.487 176.600 -0.030 0.000 1.007 135 E CA 0.939 57.314 56.400 -0.041 0.000 0.845 135 E CB -0.389 29.297 29.700 -0.024 0.000 0.766 135 E HN 0.515 nan 8.360 nan 0.000 0.507 136 Q N -0.013 119.782 119.800 -0.009 0.000 2.172 136 Q HA -0.076 4.263 4.340 -0.001 0.000 0.200 136 Q C 2.156 178.168 176.000 0.020 0.000 0.964 136 Q CA 0.395 56.209 55.803 0.018 0.000 0.855 136 Q CB -0.095 28.668 28.738 0.041 0.000 0.918 136 Q HN 0.151 nan 8.270 nan 0.000 0.444 137 I N 1.348 121.912 120.570 -0.011 0.000 2.264 137 I HA -0.178 3.991 4.170 -0.001 0.000 0.248 137 I C -1.188 174.963 176.117 0.057 0.000 1.111 137 I CA 1.242 62.556 61.300 0.024 0.000 1.382 137 I CB -0.594 37.416 38.000 0.015 0.000 1.060 137 I HN 0.080 nan 8.210 nan 0.000 0.418 138 P HA -0.134 nan 4.420 nan 0.000 0.217 138 P C 1.485 178.855 177.300 0.116 0.000 1.151 138 P CA 1.376 64.520 63.100 0.074 0.000 0.828 138 P CB 0.007 31.692 31.700 -0.026 0.000 0.788 139 Q N -0.728 119.114 119.800 0.069 0.000 2.049 139 Q HA -0.072 4.268 4.340 -0.001 0.000 0.198 139 Q C 2.203 178.245 176.000 0.070 0.000 0.971 139 Q CA 1.174 57.018 55.803 0.068 0.000 0.833 139 Q CB -1.558 27.215 28.738 0.059 0.000 0.896 139 Q HN 0.033 nan 8.270 nan 0.000 0.434 140 V N 0.585 120.562 119.914 0.105 0.000 2.287 140 V HA -0.236 3.883 4.120 -0.001 0.000 0.248 140 V C 2.070 178.200 176.094 0.060 0.000 1.053 140 V CA 1.607 63.999 62.300 0.152 0.000 1.027 140 V CB -0.562 31.386 31.823 0.208 0.000 0.646 140 V HN 0.299 nan 8.190 nan 0.000 0.447 141 L N 0.560 121.841 121.223 0.097 0.000 2.046 141 L HA -0.056 4.283 4.340 -0.001 0.000 0.208 141 L C 2.441 179.333 176.870 0.037 0.000 1.077 141 L CA 2.271 57.153 54.840 0.071 0.000 0.747 141 L CB -0.924 41.222 42.059 0.144 0.000 0.896 141 L HN 0.232 nan 8.230 nan 0.000 0.432 142 A N -0.289 122.592 122.820 0.102 0.000 1.877 142 A HA -0.192 4.127 4.320 -0.001 0.000 0.216 142 A C 2.250 179.874 177.584 0.068 0.000 1.186 142 A CA 2.205 54.348 52.037 0.177 0.000 0.620 142 A CB -0.849 18.250 19.000 0.165 0.000 0.822 142 A HN 0.495 nan 8.150 nan 0.000 0.443 143 I N -0.362 120.140 120.570 -0.112 0.000 2.202 143 I HA -0.223 3.946 4.170 -0.001 0.000 0.242 143 I C 2.996 178.848 176.117 -0.441 0.000 1.091 143 I CA 0.922 62.049 61.300 -0.288 0.000 1.368 143 I CB -0.435 37.298 38.000 -0.444 0.000 1.058 143 I HN 0.340 nan 8.210 nan 0.000 0.410 144 A N 0.922 123.384 122.820 -0.597 0.000 1.892 144 A HA -0.276 4.043 4.320 -0.001 0.000 0.218 144 A C 2.363 179.880 177.584 -0.111 0.000 1.188 144 A CA 2.136 53.959 52.037 -0.357 0.000 0.631 144 A CB -0.703 18.232 19.000 -0.109 0.000 0.822 144 A HN 0.366 nan 8.150 nan 0.000 0.447 145 M N -2.187 117.354 119.600 -0.098 0.000 2.132 145 M HA -0.081 4.399 4.480 -0.001 0.000 0.263 145 M C 2.403 178.742 176.300 0.065 0.000 1.065 145 M CA 1.746 56.970 55.300 -0.127 0.000 1.122 145 M CB -0.188 32.128 32.600 -0.473 0.000 1.365 145 M HN 0.366 nan 8.290 nan 0.000 0.411 146 R N 0.642 121.269 120.500 0.212 0.000 2.075 146 R HA -0.083 4.257 4.340 -0.001 0.000 0.232 146 R C 1.982 178.329 176.300 0.078 0.000 1.126 146 R CA 1.556 57.801 56.100 0.241 0.000 0.963 146 R CB -0.007 30.390 30.300 0.160 0.000 0.858 146 R HN 0.207 nan 8.270 nan 0.000 0.435 147 K N -0.624 119.771 120.400 -0.009 0.000 2.057 147 K HA -0.049 4.271 4.320 -0.001 0.000 0.206 147 K C 2.032 178.609 176.600 -0.038 0.000 1.050 147 K CA 1.283 57.504 56.287 -0.110 0.000 0.935 147 K CB -0.144 32.279 32.500 -0.128 0.000 0.715 147 K HN 0.213 nan 8.250 nan 0.000 0.439 148 A N 0.836 123.755 122.820 0.165 0.000 1.883 148 A HA -0.159 4.160 4.320 -0.001 0.000 0.217 148 A C 2.335 180.016 177.584 0.162 0.000 1.186 148 A CA 1.709 53.911 52.037 0.275 0.000 0.624 148 A CB -0.684 18.402 19.000 0.144 0.000 0.822 148 A HN 0.087 nan 8.150 nan 0.000 0.444 149 V N -0.464 119.518 119.914 0.113 0.000 2.302 149 V HA -0.154 3.966 4.120 -0.001 0.000 0.243 149 V C 2.515 178.665 176.094 0.093 0.000 1.036 149 V CA 1.825 64.195 62.300 0.116 0.000 1.020 149 V CB -0.609 31.317 31.823 0.172 0.000 0.657 149 V HN 0.535 nan 8.190 nan 0.000 0.453 150 L N -0.237 121.026 121.223 0.068 0.000 2.162 150 L HA -0.009 4.331 4.340 -0.001 0.000 0.205 150 L C 1.939 178.801 176.870 -0.013 0.000 1.086 150 L CA 1.408 56.267 54.840 0.032 0.000 0.778 150 L CB -0.447 41.628 42.059 0.026 0.000 0.928 150 L HN 0.385 nan 8.230 nan 0.000 0.446 151 N N -0.119 118.535 118.700 -0.077 0.000 2.412 151 N HA 0.052 4.791 4.740 -0.001 0.000 0.184 151 N C -0.513 175.008 175.510 0.020 0.000 1.101 151 N CA -0.169 52.805 53.050 -0.127 0.000 0.881 151 N CB 0.291 38.532 38.487 -0.411 0.000 0.969 151 N HN 0.058 nan 8.380 nan 0.000 0.459 152 R N 0.103 120.666 120.500 0.104 0.000 2.983 152 R HA -0.128 4.211 4.340 -0.001 0.000 0.272 152 R C -0.258 176.203 176.300 0.269 0.000 0.926 152 R CA 0.443 56.640 56.100 0.162 0.000 0.667 152 R CB -1.988 28.371 30.300 0.098 0.000 1.540 152 R HN 0.482 nan 8.270 nan 0.000 0.467 153 G N -0.975 108.054 108.800 0.380 0.000 2.428 153 G HA2 0.410 4.370 3.960 -0.001 0.000 0.305 153 G HA3 0.410 4.370 3.960 -0.001 0.000 0.305 153 G C -1.104 173.857 174.900 0.101 0.000 1.260 153 G CA -0.483 44.763 45.100 0.244 0.000 0.853 153 G HN 0.132 nan 8.290 nan 0.000 0.480 154 V N 0.853 120.742 119.914 -0.041 0.000 2.509 154 V HA 0.652 4.771 4.120 -0.001 0.000 0.284 154 V C 0.151 176.079 176.094 -0.277 0.000 1.047 154 V CA -0.263 61.937 62.300 -0.167 0.000 0.952 154 V CB 1.304 32.984 31.823 -0.239 0.000 0.988 154 V HN 0.692 nan 8.190 nan 0.000 0.469 155 S N 3.014 118.671 115.700 -0.072 0.000 2.513 155 S HA 0.735 5.204 4.470 -0.001 0.000 0.299 155 S C -0.675 173.908 174.600 -0.030 0.000 1.087 155 S CA -0.554 57.672 58.200 0.043 0.000 1.012 155 S CB 1.995 65.294 63.200 0.165 0.000 1.044 155 S HN 0.441 nan 8.310 nan 0.000 0.485 156 V N 2.872 122.780 119.914 -0.009 0.000 2.540 156 V HA 0.531 4.650 4.120 -0.001 0.000 0.302 156 V C -0.685 175.415 176.094 0.010 0.000 1.035 156 V CA -0.656 61.584 62.300 -0.100 0.000 0.873 156 V CB 1.808 33.488 31.823 -0.239 0.000 0.992 156 V HN 0.663 nan 8.190 nan 0.000 0.428 157 V N 5.473 125.388 119.914 0.002 0.000 2.378 157 V HA 0.430 4.549 4.120 -0.001 0.000 0.288 157 V C -0.211 175.890 176.094 0.012 0.000 1.016 157 V CA -0.569 61.761 62.300 0.051 0.000 0.840 157 V CB 1.953 33.822 31.823 0.077 0.000 0.994 157 V HN 0.628 nan 8.190 nan 0.000 0.431 158 V N 6.588 126.509 119.914 0.012 0.000 2.370 158 V HA 0.475 4.594 4.120 -0.001 0.000 0.279 158 V C -0.360 175.762 176.094 0.047 0.000 1.029 158 V CA -0.481 61.819 62.300 -0.001 0.000 0.870 158 V CB 1.467 33.251 31.823 -0.065 0.000 0.984 158 V HN 0.623 nan 8.190 nan 0.000 0.451 159 L N 8.972 130.242 121.223 0.080 0.000 2.427 159 L HA 0.635 4.974 4.340 -0.001 0.000 0.264 159 L C -2.652 174.290 176.870 0.120 0.000 0.989 159 L CA -1.812 53.083 54.840 0.092 0.000 0.865 159 L CB 1.930 44.032 42.059 0.072 0.000 1.209 159 L HN 0.370 nan 8.230 nan 0.000 0.430 160 P HA 0.159 nan 4.420 nan 0.000 0.266 160 P C 0.853 178.175 177.300 0.035 0.000 1.195 160 P CA 0.182 63.324 63.100 0.071 0.000 0.768 160 P CB 0.858 32.566 31.700 0.013 0.000 0.838 161 G N 3.074 111.885 108.800 0.019 0.000 2.450 161 G HA2 -0.263 3.696 3.960 -0.001 0.000 0.220 161 G HA3 -0.263 3.696 3.960 -0.001 0.000 0.220 161 G C 1.032 175.933 174.900 0.002 0.000 1.130 161 G CA 0.765 45.874 45.100 0.015 0.000 0.760 161 G HN 0.578 nan 8.290 nan 0.000 0.557 162 D N 0.712 121.104 120.400 -0.013 0.000 2.123 162 D HA -0.082 4.557 4.640 -0.001 0.000 0.200 162 D C 2.486 178.782 176.300 -0.007 0.000 0.976 162 D CA 0.904 54.894 54.000 -0.017 0.000 0.831 162 D CB -0.836 39.943 40.800 -0.035 0.000 0.974 162 D HN 0.244 nan 8.370 nan 0.000 0.469 163 V N 1.714 121.627 119.914 -0.001 0.000 2.407 163 V HA -0.186 3.934 4.120 -0.001 0.000 0.248 163 V C 2.930 179.033 176.094 0.016 0.000 1.055 163 V CA 1.668 63.973 62.300 0.008 0.000 1.049 163 V CB -0.985 30.848 31.823 0.017 0.000 0.662 163 V HN 0.358 nan 8.190 nan 0.000 0.455 164 A N -0.324 122.509 122.820 0.022 0.000 1.978 164 A HA -0.160 4.160 4.320 -0.001 0.000 0.220 164 A C 2.100 179.697 177.584 0.021 0.000 1.170 164 A CA 1.749 53.803 52.037 0.028 0.000 0.636 164 A CB -0.468 18.549 19.000 0.028 0.000 0.810 164 A HN 0.549 nan 8.150 nan 0.000 0.448 165 L N -1.275 119.954 121.223 0.011 0.000 2.592 165 L HA 0.091 4.430 4.340 -0.001 0.000 0.227 165 L C 0.645 177.518 176.870 0.005 0.000 1.127 165 L CA -0.002 54.841 54.840 0.006 0.000 0.884 165 L CB -0.053 42.005 42.059 -0.001 0.000 1.065 165 L HN 0.205 nan 8.230 nan 0.000 0.457 166 K N 0.580 120.982 120.400 0.005 0.000 2.107 166 K HA 0.258 4.577 4.320 -0.001 0.000 0.251 166 K C -2.300 174.302 176.600 0.002 0.000 1.012 166 K CA -1.854 54.433 56.287 0.000 0.000 0.920 166 K CB 0.365 32.862 32.500 -0.004 0.000 1.033 166 K HN -0.252 nan 8.250 nan 0.000 0.478 167 P HA -0.008 nan 4.420 nan 0.000 0.267 167 P C -1.046 176.243 177.300 -0.018 0.000 1.205 167 P CA -0.004 63.094 63.100 -0.003 0.000 0.765 167 P CB 0.776 32.472 31.700 -0.006 0.000 0.828 168 A N 6.163 128.972 122.820 -0.019 0.000 2.448 168 A HA 0.347 4.667 4.320 -0.001 0.000 0.239 168 A C -2.008 175.518 177.584 -0.097 0.000 1.080 168 A CA -1.012 50.975 52.037 -0.083 0.000 0.779 168 A CB -1.364 17.591 19.000 -0.075 0.000 1.026 168 A HN 0.414 nan 8.150 nan 0.000 0.499 169 P HA 0.085 nan 4.420 nan 0.000 0.265 169 P C 0.299 177.551 177.300 -0.079 0.000 1.193 169 P CA 0.134 63.168 63.100 -0.110 0.000 0.765 169 P CB 0.447 32.064 31.700 -0.138 0.000 0.823 170 E N 2.103 122.281 120.200 -0.037 0.000 2.150 170 E HA -0.099 4.250 4.350 -0.001 0.000 0.193 170 E C 1.915 178.518 176.600 0.005 0.000 0.985 170 E CA 1.200 57.595 56.400 -0.008 0.000 0.814 170 E CB -0.305 29.395 29.700 -0.001 0.000 0.752 170 E HN 0.637 nan 8.360 nan 0.000 0.466 171 G N 0.928 109.725 108.800 -0.004 0.000 2.985 171 G HA2 0.193 4.152 3.960 -0.001 0.000 0.209 171 G HA3 0.193 4.152 3.960 -0.001 0.000 0.209 171 G C 0.526 175.443 174.900 0.030 0.000 1.165 171 G CA 0.242 45.349 45.100 0.013 0.000 0.776 171 G HN 0.232 nan 8.290 nan 0.000 0.541 172 A N 0.688 123.514 122.820 0.010 0.000 2.483 172 A HA 0.514 4.833 4.320 -0.001 0.000 0.238 172 A C 0.849 178.556 177.584 0.205 0.000 1.070 172 A CA 0.704 52.768 52.037 0.045 0.000 0.770 172 A CB 0.116 19.000 19.000 -0.193 0.000 1.008 172 A HN 0.543 nan 8.150 nan 0.000 0.497 173 T N 0.207 114.914 114.554 0.256 0.000 2.895 173 T HA 0.580 4.929 4.350 -0.001 0.000 0.283 173 T C 0.466 175.336 174.700 0.284 0.000 1.014 173 T CA -0.553 61.694 62.100 0.244 0.000 1.037 173 T CB 0.932 69.899 68.868 0.165 0.000 1.006 173 T HN 0.469 nan 8.240 nan 0.000 0.468 174 M N 0.839 120.540 119.600 0.168 0.000 2.367 174 M HA 0.246 4.725 4.480 -0.001 0.000 0.256 174 M C 0.461 176.806 176.300 0.075 0.000 1.091 174 M CA -0.271 55.027 55.300 -0.002 0.000 1.049 174 M CB -0.140 32.407 32.600 -0.088 0.000 1.406 174 M HN 0.766 nan 8.290 nan 0.000 0.498 175 H N 0.881 119.995 119.070 0.074 0.000 2.928 175 H HA -0.021 4.534 4.556 -0.001 0.000 0.338 175 H C -1.322 174.103 175.328 0.161 0.000 1.047 175 H CA 0.525 56.630 56.048 0.096 0.000 1.435 175 H CB 0.566 30.374 29.762 0.075 0.000 1.428 175 H HN 0.330 nan 8.280 nan 0.000 0.590 176 W N 7.747 128.625 121.300 -0.702 0.000 2.417 176 W HA 0.206 4.865 4.660 -0.001 0.000 0.315 176 W C -1.607 174.574 176.519 -0.563 0.000 1.045 176 W CA -1.112 55.933 57.345 -0.500 0.000 1.221 176 W CB 0.711 29.878 29.460 -0.488 0.000 1.309 176 W HN 0.608 nan 8.180 nan 0.000 0.453 177 Y N 6.478 126.249 120.300 -0.882 0.000 2.365 177 Y HA 0.185 4.734 4.550 -0.001 0.000 0.340 177 Y C 0.436 175.823 175.900 -0.856 0.000 1.016 177 Y CA 0.063 57.796 58.100 -0.612 0.000 1.196 177 Y CB 0.327 38.576 38.460 -0.352 0.000 1.167 177 Y HN 0.239 nan 8.280 nan 0.000 0.509 178 H N 5.668 124.200 119.070 -0.897 0.000 3.015 178 H HA 0.352 4.908 4.556 -0.001 0.000 0.268 178 H C -0.365 174.748 175.328 -0.357 0.000 1.113 178 H CA 0.049 55.851 56.048 -0.411 0.000 1.479 178 H CB 0.509 30.159 29.762 -0.186 0.000 1.493 178 H HN 0.770 nan 8.280 nan 0.000 0.486 179 A N 6.809 129.643 122.820 0.023 0.000 2.260 179 A HA 0.415 4.734 4.320 -0.001 0.000 0.308 179 A C -1.945 175.702 177.584 0.105 0.000 1.254 179 A CA -1.375 50.747 52.037 0.141 0.000 0.874 179 A CB 0.254 19.324 19.000 0.116 0.000 1.153 179 A HN 0.432 nan 8.150 nan 0.000 0.527 180 P HA 0.178 nan 4.420 nan 0.000 0.274 180 P C -0.338 176.993 177.300 0.053 0.000 1.256 180 P CA -0.501 62.637 63.100 0.064 0.000 0.795 180 P CB 0.372 32.100 31.700 0.046 0.000 1.038 181 Q N 1.048 120.872 119.800 0.040 0.000 2.369 181 Q HA 0.092 4.431 4.340 -0.001 0.000 0.295 181 Q C -1.671 174.340 176.000 0.018 0.000 1.075 181 Q CA -0.490 55.328 55.803 0.025 0.000 0.941 181 Q CB -0.744 28.003 28.738 0.015 0.000 1.260 181 Q HN 0.438 nan 8.270 nan 0.000 0.417 182 P HA 0.182 nan 4.420 nan 0.000 0.277 182 P C -0.642 176.658 177.300 -0.001 0.000 1.271 182 P CA -0.489 62.614 63.100 0.005 0.000 0.795 182 P CB 0.608 32.308 31.700 -0.001 0.000 1.101 183 V N 1.008 120.920 119.914 -0.003 0.000 2.455 183 V HA 0.196 4.315 4.120 -0.001 0.000 0.273 183 V C 0.590 176.676 176.094 -0.013 0.000 1.045 183 V CA -0.293 62.002 62.300 -0.008 0.000 0.976 183 V CB 0.963 32.781 31.823 -0.008 0.000 0.993 183 V HN 0.439 nan 8.190 nan 0.000 0.475 184 V N 5.019 124.922 119.914 -0.017 0.000 2.443 184 V HA 0.870 4.990 4.120 -0.001 0.000 0.293 184 V C -0.326 175.752 176.094 -0.026 0.000 1.021 184 V CA 0.301 62.589 62.300 -0.021 0.000 0.848 184 V CB 1.870 33.681 31.823 -0.020 0.000 0.998 184 V HN 1.048 nan 8.190 nan 0.000 0.424 185 T N 5.926 120.464 114.554 -0.026 0.000 2.933 185 T HA 0.748 5.097 4.350 -0.001 0.000 0.305 185 T C -2.994 171.688 174.700 -0.029 0.000 1.092 185 T CA -1.421 60.660 62.100 -0.032 0.000 1.008 185 T CB 2.112 70.960 68.868 -0.033 0.000 1.102 185 T HN 0.640 nan 8.240 nan 0.000 0.469 186 P HA 0.251 nan 4.420 nan 0.000 0.270 186 P C -0.101 177.185 177.300 -0.024 0.000 1.223 186 P CA -0.402 62.681 63.100 -0.028 0.000 0.785 186 P CB 0.385 32.066 31.700 -0.032 0.000 0.923 187 E N 1.122 121.311 120.200 -0.019 0.000 2.459 187 E HA -0.128 4.221 4.350 -0.001 0.000 0.264 187 E C 1.135 177.725 176.600 -0.016 0.000 1.055 187 E CA 0.339 56.729 56.400 -0.015 0.000 0.957 187 E CB 0.396 30.089 29.700 -0.012 0.000 0.952 187 E HN 0.557 nan 8.360 nan 0.000 0.448 188 E N 1.705 121.896 120.200 -0.014 0.000 2.085 188 E HA -0.277 4.072 4.350 -0.001 0.000 0.194 188 E C 1.565 178.159 176.600 -0.009 0.000 0.994 188 E CA 1.574 57.967 56.400 -0.013 0.000 0.801 188 E CB 0.135 29.829 29.700 -0.010 0.000 0.743 188 E HN 0.431 nan 8.360 nan 0.000 0.453 189 E N 0.775 120.971 120.200 -0.007 0.000 2.118 189 E HA -0.220 4.129 4.350 -0.001 0.000 0.195 189 E C 1.814 178.412 176.600 -0.003 0.000 0.992 189 E CA 1.513 57.911 56.400 -0.004 0.000 0.804 189 E CB -0.046 29.653 29.700 -0.003 0.000 0.741 189 E HN 0.250 nan 8.360 nan 0.000 0.458 190 E N 0.112 120.308 120.200 -0.007 0.000 2.106 190 E HA -0.111 4.238 4.350 -0.001 0.000 0.192 190 E C 2.312 178.906 176.600 -0.009 0.000 0.984 190 E CA 0.793 57.188 56.400 -0.007 0.000 0.806 190 E CB -0.278 29.415 29.700 -0.012 0.000 0.750 190 E HN 0.390 nan 8.360 nan 0.000 0.458 191 L N 0.385 121.600 121.223 -0.015 0.000 2.046 191 L HA -0.157 4.182 4.340 -0.001 0.000 0.208 191 L C 2.656 179.522 176.870 -0.007 0.000 1.077 191 L CA 1.195 56.023 54.840 -0.019 0.000 0.747 191 L CB -0.392 41.650 42.059 -0.028 0.000 0.896 191 L HN 0.036 nan 8.230 nan 0.000 0.432 192 R N 0.144 120.643 120.500 -0.002 0.000 2.081 192 R HA -0.150 4.190 4.340 -0.001 0.000 0.235 192 R C 2.355 178.665 176.300 0.017 0.000 1.131 192 R CA 1.216 57.320 56.100 0.007 0.000 0.960 192 R CB -0.217 30.088 30.300 0.007 0.000 0.856 192 R HN 0.347 nan 8.270 nan 0.000 0.436 193 K N 0.439 120.849 120.400 0.015 0.000 2.057 193 K HA -0.148 4.171 4.320 -0.001 0.000 0.207 193 K C 2.081 178.699 176.600 0.030 0.000 1.049 193 K CA 0.979 57.280 56.287 0.024 0.000 0.931 193 K CB -0.280 32.229 32.500 0.016 0.000 0.714 193 K HN 0.043 nan 8.250 nan 0.000 0.440 194 L N 1.379 122.614 121.223 0.021 0.000 2.012 194 L HA -0.148 4.191 4.340 -0.001 0.000 0.210 194 L C 2.236 179.131 176.870 0.042 0.000 1.073 194 L CA 1.918 56.775 54.840 0.029 0.000 0.748 194 L CB -0.828 41.238 42.059 0.012 0.000 0.891 194 L HN 0.127 nan 8.230 nan 0.000 0.431 195 A N -1.074 121.765 122.820 0.032 0.000 1.908 195 A HA -0.306 4.013 4.320 -0.001 0.000 0.218 195 A C 2.335 179.932 177.584 0.022 0.000 1.181 195 A CA 1.905 53.961 52.037 0.032 0.000 0.627 195 A CB -0.746 18.265 19.000 0.018 0.000 0.818 195 A HN 0.679 nan 8.150 nan 0.000 0.445 196 Q N -0.628 119.195 119.800 0.039 0.000 2.084 196 Q HA -0.117 4.222 4.340 -0.001 0.000 0.202 196 Q C 2.050 178.123 176.000 0.122 0.000 0.978 196 Q CA 1.454 57.302 55.803 0.074 0.000 0.844 196 Q CB -0.219 28.586 28.738 0.112 0.000 0.898 196 Q HN 0.690 nan 8.270 nan 0.000 0.426 197 L N 0.302 121.585 121.223 0.099 0.000 2.017 197 L HA -0.203 4.136 4.340 -0.001 0.000 0.208 197 L C 2.222 179.139 176.870 0.077 0.000 1.073 197 L CA 1.144 56.046 54.840 0.104 0.000 0.745 197 L CB -0.191 41.908 42.059 0.066 0.000 0.894 197 L HN 0.382 nan 8.230 nan 0.000 0.432 198 L N -0.544 120.705 121.223 0.043 0.000 2.131 198 L HA -0.249 4.091 4.340 -0.001 0.000 0.210 198 L C 2.769 179.608 176.870 -0.050 0.000 1.092 198 L CA 1.168 56.015 54.840 0.012 0.000 0.759 198 L CB -0.655 41.428 42.059 0.040 0.000 0.903 198 L HN 0.338 nan 8.230 nan 0.000 0.435 199 R N -0.005 120.432 120.500 -0.106 0.000 2.117 199 R HA -0.215 4.124 4.340 -0.001 0.000 0.243 199 R C 1.178 177.238 176.300 -0.400 0.000 1.143 199 R CA 1.779 57.698 56.100 -0.300 0.000 0.968 199 R CB -0.100 29.930 30.300 -0.451 0.000 0.863 199 R HN 0.315 nan 8.270 nan 0.000 0.444 200 Y N -0.241 120.049 120.300 -0.016 0.000 2.607 200 Y HA 0.361 4.910 4.550 -0.001 0.000 0.266 200 Y C -0.045 175.837 175.900 -0.030 0.000 1.178 200 Y CA -0.343 57.744 58.100 -0.021 0.000 1.226 200 Y CB 0.883 39.333 38.460 -0.017 0.000 1.144 200 Y HN -0.102 nan 8.280 nan 0.000 0.528 201 S N -0.599 115.132 115.700 0.053 0.000 2.593 201 S HA 0.718 5.187 4.470 -0.001 0.000 0.297 201 S C -0.096 174.481 174.600 -0.038 0.000 1.112 201 S CA -0.695 57.510 58.200 0.008 0.000 1.043 201 S CB 1.810 65.006 63.200 -0.006 0.000 1.054 201 S HN 0.067 nan 8.310 nan 0.000 0.516 202 S N 1.612 117.270 115.700 -0.070 0.000 2.671 202 S HA 0.524 4.993 4.470 -0.001 0.000 0.299 202 S C -0.717 173.754 174.600 -0.214 0.000 1.116 202 S CA -1.078 57.057 58.200 -0.108 0.000 0.912 202 S CB 0.846 63.994 63.200 -0.086 0.000 1.130 202 S HN 0.740 nan 8.310 nan 0.000 0.501 203 N N 0.855 119.383 118.700 -0.287 0.000 2.667 203 N HA -0.151 4.589 4.740 -0.001 0.000 0.263 203 N C -1.078 174.014 175.510 -0.696 0.000 1.038 203 N CA 0.572 53.170 53.050 -0.754 0.000 0.749 203 N CB -1.408 36.532 38.487 -0.911 0.000 0.892 203 N HN 0.569 nan 8.380 nan 0.000 0.546 204 I N -0.046 120.373 120.570 -0.251 0.000 2.365 204 I HA 0.522 4.691 4.170 -0.001 0.000 0.291 204 I C 0.874 177.053 176.117 0.103 0.000 1.004 204 I CA -0.606 60.637 61.300 -0.095 0.000 1.311 204 I CB 1.432 39.382 38.000 -0.083 0.000 1.401 204 I HN 0.281 nan 8.210 nan 0.000 0.491 205 A N 7.310 130.198 122.820 0.113 0.000 2.356 205 A HA 0.873 5.192 4.320 -0.001 0.000 0.323 205 A C -0.796 176.820 177.584 0.054 0.000 1.119 205 A CA -0.646 51.480 52.037 0.148 0.000 0.790 205 A CB 1.198 20.319 19.000 0.201 0.000 1.273 205 A HN 0.678 nan 8.150 nan 0.000 0.452 206 L N 1.554 122.792 121.223 0.026 0.000 2.307 206 L HA 0.569 4.908 4.340 -0.001 0.000 0.284 206 L C -0.386 176.489 176.870 0.008 0.000 1.023 206 L CA -0.570 54.292 54.840 0.037 0.000 0.810 206 L CB 1.682 43.769 42.059 0.046 0.000 1.231 206 L HN 0.769 nan 8.230 nan 0.000 0.423 207 M N 4.126 123.736 119.600 0.016 0.000 2.066 207 M HA 0.408 4.887 4.480 -0.001 0.000 0.340 207 M C -1.194 175.120 176.300 0.022 0.000 1.053 207 M CA -0.088 55.192 55.300 -0.033 0.000 0.983 207 M CB 0.632 33.199 32.600 -0.055 0.000 1.520 207 M HN 0.564 nan 8.290 nan 0.000 0.428 208 C N 3.914 123.231 119.300 0.029 0.000 2.379 208 C HA 0.979 5.438 4.460 -0.001 0.000 0.323 208 C C 0.828 175.881 174.990 0.105 0.000 1.262 208 C CA -0.746 58.315 59.018 0.072 0.000 1.581 208 C CB 0.632 28.416 27.740 0.074 0.000 2.221 208 C HN 1.016 nan 8.230 nan 0.000 0.497 209 G N 0.936 109.805 108.800 0.115 0.000 3.075 209 G HA2 0.492 4.451 3.960 -0.001 0.000 0.253 209 G HA3 0.492 4.451 3.960 -0.001 0.000 0.253 209 G C 0.866 175.856 174.900 0.151 0.000 1.353 209 G CA 0.374 45.563 45.100 0.148 0.000 1.051 209 G HN 0.821 nan 8.290 nan 0.000 0.553 210 S N -1.256 114.554 115.700 0.183 0.000 2.507 210 S HA 0.019 4.489 4.470 -0.001 0.000 0.235 210 S C 2.210 176.815 174.600 0.009 0.000 0.988 210 S CA 1.350 59.655 58.200 0.175 0.000 0.944 210 S CB -0.361 62.993 63.200 0.256 0.000 0.762 210 S HN 0.972 nan 8.310 nan 0.000 0.526 211 G N 0.362 109.184 108.800 0.036 0.000 2.498 211 G HA2 -0.153 3.806 3.960 -0.001 0.000 0.219 211 G HA3 -0.153 3.806 3.960 -0.001 0.000 0.219 211 G C 1.173 176.052 174.900 -0.034 0.000 1.119 211 G CA 0.864 45.959 45.100 -0.009 0.000 0.766 211 G HN 0.659 nan 8.290 nan 0.000 0.552 212 C N 0.953 120.242 119.300 -0.019 0.000 2.576 212 C HA 0.587 5.047 4.460 -0.001 0.000 0.267 212 C C 1.971 176.928 174.990 -0.056 0.000 1.364 212 C CA -0.863 58.146 59.018 -0.015 0.000 1.723 212 C CB -1.405 26.355 27.740 0.033 0.000 1.778 212 C HN 0.600 nan 8.230 nan 0.000 0.572 213 A N 0.562 123.242 122.820 -0.233 0.000 2.567 213 A HA 0.393 4.713 4.320 -0.001 0.000 0.240 213 A C 1.484 179.001 177.584 -0.113 0.000 1.053 213 A CA 1.217 53.009 52.037 -0.408 0.000 0.755 213 A CB -0.518 17.979 19.000 -0.838 0.000 0.978 213 A HN 1.493 nan 8.150 nan 0.000 0.507 214 G N 0.905 109.711 108.800 0.009 0.000 2.199 214 G HA2 0.052 4.011 3.960 -0.001 0.000 0.254 214 G HA3 0.052 4.011 3.960 -0.001 0.000 0.254 214 G C 0.762 175.696 174.900 0.056 0.000 0.982 214 G CA 0.803 45.929 45.100 0.042 0.000 0.632 214 G HN 2.210 nan 8.290 nan 0.000 0.529 215 A N -0.270 122.584 122.820 0.057 0.000 2.564 215 A HA 0.548 4.868 4.320 -0.001 0.000 0.279 215 A C 1.220 178.844 177.584 0.066 0.000 1.232 215 A CA 1.137 53.199 52.037 0.041 0.000 0.950 215 A CB -0.379 18.619 19.000 -0.003 0.000 1.138 215 A HN 0.604 nan 8.150 nan 0.000 0.526 216 H N 1.281 120.363 119.070 0.021 0.000 2.319 216 H HA -0.187 4.368 4.556 -0.001 0.000 0.297 216 H C 1.965 177.291 175.328 -0.004 0.000 1.097 216 H CA 2.253 58.295 56.048 -0.009 0.000 1.285 216 H CB 0.076 29.829 29.762 -0.015 0.000 1.368 216 H HN 0.571 nan 8.280 nan 0.000 0.495 217 K N 0.400 120.888 120.400 0.147 0.000 2.032 217 K HA -0.187 4.132 4.320 -0.001 0.000 0.209 217 K C 2.080 178.693 176.600 0.022 0.000 1.048 217 K CA 2.031 58.375 56.287 0.096 0.000 0.927 217 K CB 0.076 32.640 32.500 0.107 0.000 0.712 217 K HN 0.246 nan 8.250 nan 0.000 0.441 218 E N 0.896 121.105 120.200 0.015 0.000 2.072 218 E HA -0.171 4.178 4.350 -0.001 0.000 0.191 218 E C 1.774 178.379 176.600 0.009 0.000 0.985 218 E CA 0.853 57.254 56.400 0.003 0.000 0.801 218 E CB -0.232 29.454 29.700 -0.022 0.000 0.750 218 E HN 0.220 nan 8.360 nan 0.000 0.452 219 L N 0.119 121.327 121.223 -0.025 0.000 2.012 219 L HA -0.150 4.189 4.340 -0.001 0.000 0.210 219 L C 2.062 178.917 176.870 -0.025 0.000 1.073 219 L CA 1.523 56.359 54.840 -0.007 0.000 0.748 219 L CB -0.504 41.515 42.059 -0.068 0.000 0.891 219 L HN 0.027 nan 8.230 nan 0.000 0.431 220 V N -0.245 119.598 119.914 -0.119 0.000 2.427 220 V HA -0.266 3.853 4.120 -0.001 0.000 0.248 220 V C 2.600 178.680 176.094 -0.023 0.000 1.051 220 V CA 1.891 64.153 62.300 -0.064 0.000 1.048 220 V CB -0.557 31.199 31.823 -0.111 0.000 0.666 220 V HN 0.611 nan 8.190 nan 0.000 0.456 221 E N -0.445 119.758 120.200 0.005 0.000 2.072 221 E HA -0.251 4.098 4.350 -0.001 0.000 0.191 221 E C 2.112 178.715 176.600 0.005 0.000 0.985 221 E CA 1.453 57.864 56.400 0.018 0.000 0.801 221 E CB -0.178 29.547 29.700 0.042 0.000 0.750 221 E HN 0.526 nan 8.360 nan 0.000 0.452 222 F N 1.349 121.219 119.950 -0.134 0.000 2.075 222 F HA -0.123 4.403 4.527 -0.001 0.000 0.297 222 F C 2.096 177.762 175.800 -0.224 0.000 1.113 222 F CA 1.643 59.558 58.000 -0.143 0.000 1.218 222 F CB -0.882 38.051 39.000 -0.111 0.000 0.984 222 F HN 0.079 nan 8.300 nan 0.000 0.472 223 A N 0.299 122.871 122.820 -0.414 0.000 1.917 223 A HA -0.126 4.194 4.320 -0.001 0.000 0.219 223 A C 2.515 179.550 177.584 -0.915 0.000 1.182 223 A CA 1.958 53.574 52.037 -0.702 0.000 0.633 223 A CB -1.835 16.769 19.000 -0.661 0.000 0.819 223 A HN 0.537 nan 8.150 nan 0.000 0.448 224 G N -0.856 107.376 108.800 -0.947 0.000 2.408 224 G HA2 -0.216 3.743 3.960 -0.001 0.000 0.217 224 G HA3 -0.216 3.743 3.960 -0.001 0.000 0.217 224 G C 1.639 176.364 174.900 -0.292 0.000 1.150 224 G CA 1.164 45.881 45.100 -0.639 0.000 0.776 224 G HN 0.580 nan 8.290 nan 0.000 0.542 225 K N 0.432 120.679 120.400 -0.256 0.000 2.025 225 K HA 0.017 4.336 4.320 -0.001 0.000 0.207 225 K C 2.312 178.790 176.600 -0.202 0.000 1.049 225 K CA 1.388 57.577 56.287 -0.163 0.000 0.933 225 K CB -0.233 32.214 32.500 -0.088 0.000 0.714 225 K HN 0.505 nan 8.250 nan 0.000 0.438 226 I N -2.640 117.730 120.570 -0.333 0.000 3.883 226 I HA 0.123 4.293 4.170 -0.001 0.000 0.326 226 I C -0.751 175.222 176.117 -0.240 0.000 1.283 226 I CA -0.298 60.824 61.300 -0.296 0.000 1.161 226 I CB 0.393 38.148 38.000 -0.408 0.000 1.012 226 I HN -0.048 nan 8.210 nan 0.000 0.421 227 K N 1.516 121.763 120.400 -0.255 0.000 3.393 227 K HA -0.140 4.179 4.320 -0.001 0.000 0.272 227 K C -0.182 176.346 176.600 -0.120 0.000 1.004 227 K CA 0.985 57.177 56.287 -0.158 0.000 0.764 227 K CB -2.092 30.375 32.500 -0.054 0.000 1.373 227 K HN 0.652 nan 8.250 nan 0.000 0.458 228 A N 1.547 124.229 122.820 -0.230 0.000 2.304 228 A HA 0.614 4.933 4.320 -0.001 0.000 0.314 228 A C -2.073 175.455 177.584 -0.093 0.000 1.187 228 A CA -1.481 50.485 52.037 -0.119 0.000 0.810 228 A CB 1.066 19.943 19.000 -0.204 0.000 1.183 228 A HN 0.027 nan 8.150 nan 0.000 0.487 229 P HA 0.246 nan 4.420 nan 0.000 0.269 229 P C -0.652 176.626 177.300 -0.037 0.000 1.215 229 P CA 0.265 63.340 63.100 -0.042 0.000 0.780 229 P CB 0.795 32.397 31.700 -0.164 0.000 0.898 230 I N 1.872 122.423 120.570 -0.032 0.000 2.404 230 I HA 0.299 4.469 4.170 -0.001 0.000 0.293 230 I C 0.461 176.533 176.117 -0.075 0.000 0.992 230 I CA -0.985 60.297 61.300 -0.031 0.000 1.149 230 I CB 1.996 39.999 38.000 0.005 0.000 1.315 230 I HN 0.113 nan 8.210 nan 0.000 0.446 231 V N 6.455 126.305 119.914 -0.107 0.000 2.667 231 V HA 0.579 4.698 4.120 -0.001 0.000 0.308 231 V C -0.768 175.229 176.094 -0.162 0.000 1.048 231 V CA -0.194 61.977 62.300 -0.213 0.000 0.928 231 V CB 1.715 33.350 31.823 -0.313 0.000 1.004 231 V HN 0.812 nan 8.190 nan 0.000 0.444 232 H N 4.358 123.329 119.070 -0.165 0.000 2.524 232 H HA 0.819 5.374 4.556 -0.001 0.000 0.353 232 H C -0.125 175.122 175.328 -0.135 0.000 1.136 232 H CA -0.363 55.619 56.048 -0.110 0.000 1.193 232 H CB 1.774 31.507 29.762 -0.048 0.000 1.558 232 H HN 0.979 nan 8.280 nan 0.000 0.515 233 A N 2.730 125.572 122.820 0.037 0.000 2.366 233 A HA 0.109 4.429 4.320 -0.001 0.000 0.249 233 A C 1.380 179.044 177.584 0.133 0.000 1.084 233 A CA -0.528 51.563 52.037 0.090 0.000 0.794 233 A CB 0.286 19.405 19.000 0.197 0.000 1.034 233 A HN 0.722 nan 8.150 nan 0.000 0.491 234 L N 0.750 122.004 121.223 0.052 0.000 2.043 234 L HA -0.171 4.169 4.340 -0.001 0.000 0.212 234 L C 2.352 179.152 176.870 -0.117 0.000 1.075 234 L CA 2.044 56.813 54.840 -0.117 0.000 0.752 234 L CB -0.533 41.292 42.059 -0.390 0.000 0.891 234 L HN 0.753 nan 8.230 nan 0.000 0.432 235 R N -0.862 119.639 120.500 0.002 0.000 2.307 235 R HA 0.068 4.407 4.340 -0.001 0.000 0.199 235 R C 1.874 178.293 176.300 0.199 0.000 1.000 235 R CA 0.695 56.875 56.100 0.133 0.000 1.023 235 R CB -0.515 29.933 30.300 0.246 0.000 0.908 235 R HN 0.544 nan 8.270 nan 0.000 0.473 236 G N 1.280 110.185 108.800 0.175 0.000 2.777 236 G HA2 -0.163 3.796 3.960 -0.001 0.000 0.211 236 G HA3 -0.163 3.796 3.960 -0.001 0.000 0.211 236 G C 1.327 176.255 174.900 0.046 0.000 1.149 236 G CA -0.187 45.033 45.100 0.199 0.000 0.785 236 G HN 0.202 nan 8.290 nan 0.000 0.536 237 K N 1.582 121.953 120.400 -0.048 0.000 2.020 237 K HA -0.218 4.101 4.320 -0.001 0.000 0.212 237 K C 2.375 178.871 176.600 -0.173 0.000 1.050 237 K CA 1.979 58.095 56.287 -0.284 0.000 0.929 237 K CB -0.275 32.159 32.500 -0.109 0.000 0.714 237 K HN 0.512 nan 8.250 nan 0.000 0.443 238 E N -0.927 119.187 120.200 -0.143 0.000 2.265 238 E HA -0.208 4.141 4.350 -0.001 0.000 0.196 238 E C 1.322 177.859 176.600 -0.105 0.000 0.996 238 E CA 1.139 57.438 56.400 -0.168 0.000 0.832 238 E CB -0.177 29.365 29.700 -0.264 0.000 0.756 238 E HN 0.535 nan 8.360 nan 0.000 0.491 239 H N -0.469 118.697 119.070 0.160 0.000 2.595 239 H HA 0.204 4.759 4.556 -0.001 0.000 0.265 239 H C 1.440 176.905 175.328 0.229 0.000 0.953 239 H CA 0.726 56.915 56.048 0.235 0.000 1.197 239 H CB 1.248 31.101 29.762 0.152 0.000 1.438 239 H HN 0.130 nan 8.280 nan 0.000 0.531 240 V N -0.313 119.702 119.914 0.169 0.000 3.350 240 V HA 0.015 4.134 4.120 -0.001 0.000 0.246 240 V C 1.021 177.059 176.094 -0.093 0.000 1.363 240 V CA 0.074 62.386 62.300 0.019 0.000 1.162 240 V CB 1.142 32.962 31.823 -0.004 0.000 0.947 240 V HN 0.144 nan 8.190 nan 0.000 0.454 241 E N 1.433 121.569 120.200 -0.108 0.000 2.232 241 E HA 0.257 4.606 4.350 -0.001 0.000 0.296 241 E C -1.137 175.555 176.600 0.154 0.000 1.372 241 E CA -0.220 56.135 56.400 -0.075 0.000 1.527 241 E CB -0.044 29.515 29.700 -0.235 0.000 1.424 241 E HN 0.682 nan 8.360 nan 0.000 0.485 242 Y N -2.820 117.525 120.300 0.076 0.000 2.620 242 Y HA 0.219 4.768 4.550 -0.001 0.000 0.331 242 Y C -0.662 175.329 175.900 0.151 0.000 1.173 242 Y CA -1.648 56.490 58.100 0.064 0.000 1.076 242 Y CB 0.439 38.897 38.460 -0.004 0.000 1.336 242 Y HN -0.062 nan 8.280 nan 0.000 0.459 243 D N 1.742 122.253 120.400 0.185 0.000 2.720 243 D HA -0.234 4.406 4.640 -0.001 0.000 0.229 243 D C -0.854 175.498 176.300 0.087 0.000 1.198 243 D CA 1.553 55.632 54.000 0.131 0.000 0.639 243 D CB -0.793 40.115 40.800 0.181 0.000 1.003 243 D HN 0.684 nan 8.370 nan 0.000 0.411 244 N N 0.153 118.852 118.700 -0.001 0.000 2.653 244 N HA 0.169 4.908 4.740 -0.001 0.000 0.261 244 N C -2.156 173.252 175.510 -0.169 0.000 1.216 244 N CA -1.442 51.563 53.050 -0.074 0.000 0.784 244 N CB 1.336 39.774 38.487 -0.082 0.000 1.327 244 N HN -0.191 nan 8.380 nan 0.000 0.539 245 P HA 0.030 nan 4.420 nan 0.000 0.242 245 P C 0.200 177.136 177.300 -0.607 0.000 1.197 245 P CA 0.683 63.496 63.100 -0.478 0.000 0.765 245 P CB 0.055 31.400 31.700 -0.591 0.000 0.936 246 Y N -0.801 119.427 120.300 -0.120 0.000 2.478 246 Y HA 0.176 4.725 4.550 -0.001 0.000 0.261 246 Y C 1.177 176.965 175.900 -0.186 0.000 1.127 246 Y CA -0.740 57.275 58.100 -0.141 0.000 1.288 246 Y CB -0.337 38.049 38.460 -0.124 0.000 1.084 246 Y HN -0.036 nan 8.280 nan 0.000 0.530 247 D N 0.693 121.019 120.400 -0.122 0.000 2.348 247 D HA 0.071 4.711 4.640 -0.001 0.000 0.253 247 D C 0.342 176.370 176.300 -0.454 0.000 1.161 247 D CA 0.389 54.287 54.000 -0.169 0.000 0.876 247 D CB 1.794 42.547 40.800 -0.078 0.000 1.160 247 D HN 0.023 nan 8.370 nan 0.000 0.459 248 V N 3.379 123.071 119.914 -0.370 0.000 3.276 248 V HA 0.324 4.443 4.120 -0.001 0.000 0.319 248 V C 0.941 176.928 176.094 -0.178 0.000 1.427 248 V CA 0.738 62.774 62.300 -0.440 0.000 1.102 248 V CB -0.032 31.661 31.823 -0.217 0.000 1.020 248 V HN 0.935 nan 8.190 nan 0.000 0.456 249 G N 0.779 109.458 108.800 -0.201 0.000 2.464 249 G HA2 -0.132 3.828 3.960 -0.001 0.000 0.216 249 G HA3 -0.132 3.828 3.960 -0.001 0.000 0.216 249 G C -0.564 173.785 174.900 -0.918 0.000 1.186 249 G CA -0.116 44.762 45.100 -0.370 0.000 1.010 249 G HN 0.176 nan 8.290 nan 0.000 0.585 250 M N 0.711 119.589 119.600 -1.203 0.000 2.619 250 M HA 0.599 5.078 4.480 -0.001 0.000 0.297 250 M C 0.456 176.342 176.300 -0.690 0.000 1.229 250 M CA -0.518 54.256 55.300 -0.876 0.000 0.860 250 M CB 2.571 34.777 32.600 -0.656 0.000 1.741 250 M HN 0.892 nan 8.290 nan 0.000 0.462 251 T N -1.186 113.063 114.554 -0.507 0.000 2.855 251 T HA 0.927 5.276 4.350 -0.001 0.000 0.275 251 T C 0.349 174.818 174.700 -0.385 0.000 1.022 251 T CA -0.168 61.721 62.100 -0.351 0.000 0.977 251 T CB 1.081 69.799 68.868 -0.250 0.000 1.559 251 T HN 1.105 nan 8.240 nan 0.000 0.600 252 G N -0.711 107.603 108.800 -0.810 0.000 2.756 252 G HA2 -0.133 3.827 3.960 -0.001 0.000 0.678 252 G HA3 -0.133 3.827 3.960 -0.001 0.000 0.678 252 G C 0.370 174.792 174.900 -0.797 0.000 1.349 252 G CA -0.259 44.082 45.100 -1.264 0.000 0.847 252 G HN 0.795 nan 8.290 nan 0.000 0.548 253 L N 0.210 121.078 121.223 -0.593 0.000 2.191 253 L HA -0.012 4.327 4.340 -0.001 0.000 0.212 253 L C 2.714 179.502 176.870 -0.137 0.000 1.103 253 L CA 2.034 56.751 54.840 -0.205 0.000 0.769 253 L CB -0.351 41.637 42.059 -0.118 0.000 0.908 253 L HN 0.676 nan 8.230 nan 0.000 0.438 254 I N -3.560 116.904 120.570 -0.178 0.000 3.883 254 I HA 0.279 4.448 4.170 -0.001 0.000 0.326 254 I C 1.296 177.387 176.117 -0.044 0.000 1.283 254 I CA -0.152 61.090 61.300 -0.098 0.000 1.161 254 I CB -0.489 37.420 38.000 -0.152 0.000 1.012 254 I HN -0.026 nan 8.210 nan 0.000 0.421 255 G N 1.707 110.431 108.800 -0.127 0.000 2.489 255 G HA2 0.451 4.410 3.960 -0.001 0.000 0.271 255 G HA3 0.451 4.410 3.960 -0.001 0.000 0.271 255 G C -0.525 174.402 174.900 0.045 0.000 1.427 255 G CA -0.277 44.708 45.100 -0.191 0.000 1.057 255 G HN 0.404 nan 8.290 nan 0.000 0.532 256 F N -3.362 116.545 119.950 -0.071 0.000 2.726 256 F HA 0.541 5.067 4.527 -0.001 0.000 0.324 256 F C 1.447 177.238 175.800 -0.015 0.000 1.140 256 F CA -0.524 57.450 58.000 -0.044 0.000 0.964 256 F CB 0.961 39.936 39.000 -0.042 0.000 1.399 256 F HN 0.472 nan 8.300 nan 0.000 0.491 257 S N 0.067 115.887 115.700 0.200 0.000 2.365 257 S HA -0.252 4.218 4.470 -0.001 0.000 0.225 257 S C 1.864 176.496 174.600 0.052 0.000 1.039 257 S CA 1.928 60.158 58.200 0.051 0.000 1.033 257 S CB -1.423 61.843 63.200 0.109 0.000 0.887 257 S HN 0.859 nan 8.310 nan 0.000 0.447 258 S N 2.253 118.060 115.700 0.178 0.000 2.356 258 S HA 0.024 4.494 4.470 -0.001 0.000 0.223 258 S C 2.177 176.779 174.600 0.004 0.000 1.032 258 S CA 1.076 59.371 58.200 0.159 0.000 1.005 258 S CB -1.753 61.625 63.200 0.296 0.000 0.867 258 S HN 0.729 nan 8.310 nan 0.000 0.449 259 G N 0.926 109.636 108.800 -0.150 0.000 2.421 259 G HA2 -0.148 3.812 3.960 -0.001 0.000 0.216 259 G HA3 -0.148 3.812 3.960 -0.001 0.000 0.216 259 G C 1.202 176.009 174.900 -0.155 0.000 1.171 259 G CA 0.868 45.804 45.100 -0.273 0.000 0.775 259 G HN 0.507 nan 8.290 nan 0.000 0.543 260 F N 1.433 121.247 119.950 -0.227 0.000 2.069 260 F HA -0.118 4.408 4.527 -0.001 0.000 0.298 260 F C 2.744 178.503 175.800 -0.069 0.000 1.113 260 F CA 2.005 59.919 58.000 -0.143 0.000 1.214 260 F CB -0.444 38.452 39.000 -0.174 0.000 0.978 260 F HN 0.189 nan 8.300 nan 0.000 0.474 261 H N -0.494 118.499 119.070 -0.128 0.000 2.387 261 H HA -0.083 4.472 4.556 -0.001 0.000 0.299 261 H C 2.306 177.543 175.328 -0.152 0.000 1.090 261 H CA 1.869 57.793 56.048 -0.207 0.000 1.332 261 H CB -1.142 28.617 29.762 -0.004 0.000 1.386 261 H HN 0.278 nan 8.280 nan 0.000 0.516 262 T N 1.446 115.999 114.554 -0.001 0.000 2.746 262 T HA -0.126 4.223 4.350 -0.001 0.000 0.267 262 T C 2.272 177.010 174.700 0.063 0.000 1.039 262 T CA 0.977 63.072 62.100 -0.009 0.000 1.142 262 T CB -0.058 68.740 68.868 -0.117 0.000 0.866 262 T HN 0.159 nan 8.240 nan 0.000 0.444 263 M N 0.370 119.926 119.600 -0.074 0.000 2.086 263 M HA -0.001 4.479 4.480 -0.001 0.000 0.261 263 M C 2.330 178.576 176.300 -0.089 0.000 1.067 263 M CA 1.390 56.635 55.300 -0.091 0.000 1.116 263 M CB -0.756 31.736 32.600 -0.180 0.000 1.348 263 M HN 0.227 nan 8.290 nan 0.000 0.407 264 M N 0.378 119.841 119.600 -0.229 0.000 2.159 264 M HA -0.164 4.315 4.480 -0.001 0.000 0.263 264 M C 1.370 177.625 176.300 -0.075 0.000 1.063 264 M CA 1.562 56.727 55.300 -0.225 0.000 1.110 264 M CB -1.530 30.769 32.600 -0.502 0.000 1.374 264 M HN 0.233 nan 8.290 nan 0.000 0.411 265 N N 0.074 118.774 118.700 0.000 0.000 2.353 265 N HA 0.161 4.900 4.740 -0.001 0.000 0.185 265 N C 0.304 175.824 175.510 0.016 0.000 1.098 265 N CA 0.220 53.304 53.050 0.057 0.000 0.872 265 N CB -0.126 38.449 38.487 0.147 0.000 0.970 265 N HN 0.187 nan 8.380 nan 0.000 0.467 266 A N 0.709 123.543 122.820 0.024 0.000 2.498 266 A HA 0.062 4.381 4.320 -0.001 0.000 0.239 266 A C 0.614 178.072 177.584 -0.210 0.000 1.068 266 A CA 0.130 52.038 52.037 -0.215 0.000 0.766 266 A CB 0.310 19.290 19.000 -0.034 0.000 1.003 266 A HN 0.038 nan 8.150 nan 0.000 0.497 267 D N 0.106 120.322 120.400 -0.307 0.000 2.346 267 D HA 0.109 4.748 4.640 -0.001 0.000 0.206 267 D C -0.133 176.095 176.300 -0.121 0.000 1.001 267 D CA 1.273 55.166 54.000 -0.179 0.000 0.871 267 D CB 0.397 41.085 40.800 -0.187 0.000 0.943 267 D HN 0.500 nan 8.370 nan 0.000 0.518 268 T N 0.716 115.190 114.554 -0.134 0.000 2.971 268 T HA 0.456 4.805 4.350 -0.001 0.000 0.304 268 T C -1.197 173.482 174.700 -0.035 0.000 1.038 268 T CA -0.586 61.475 62.100 -0.066 0.000 1.007 268 T CB 2.289 71.118 68.868 -0.064 0.000 1.055 268 T HN -0.168 nan 8.240 nan 0.000 0.451 269 L N 4.012 125.242 121.223 0.012 0.000 2.381 269 L HA 0.769 5.109 4.340 -0.001 0.000 0.274 269 L C -1.265 175.644 176.870 0.066 0.000 0.988 269 L CA -0.636 54.233 54.840 0.049 0.000 0.824 269 L CB 1.767 43.877 42.059 0.084 0.000 1.263 269 L HN 0.499 nan 8.230 nan 0.000 0.410 270 V N 6.362 126.322 119.914 0.078 0.000 2.334 270 V HA 0.385 4.504 4.120 -0.001 0.000 0.281 270 V C 0.034 176.188 176.094 0.101 0.000 1.016 270 V CA -0.588 61.770 62.300 0.097 0.000 0.832 270 V CB 1.262 33.172 31.823 0.144 0.000 0.999 270 V HN 0.560 nan 8.190 nan 0.000 0.439 271 L N 6.475 127.758 121.223 0.101 0.000 2.283 271 L HA 0.457 4.796 4.340 -0.001 0.000 0.287 271 L C -0.465 176.456 176.870 0.084 0.000 1.073 271 L CA -0.114 54.795 54.840 0.114 0.000 0.822 271 L CB 0.539 42.684 42.059 0.143 0.000 1.186 271 L HN 0.462 nan 8.230 nan 0.000 0.436 272 L N 3.908 125.178 121.223 0.078 0.000 2.295 272 L HA 0.404 4.743 4.340 -0.001 0.000 0.281 272 L C 0.962 177.865 176.870 0.055 0.000 1.018 272 L CA -0.493 54.378 54.840 0.051 0.000 0.841 272 L CB 1.362 43.448 42.059 0.045 0.000 1.218 272 L HN 0.881 nan 8.230 nan 0.000 0.424 273 G N 1.741 110.568 108.800 0.044 0.000 2.350 273 G HA2 -0.253 3.707 3.960 -0.001 0.000 0.298 273 G HA3 -0.253 3.707 3.960 -0.001 0.000 0.298 273 G C 0.050 175.003 174.900 0.088 0.000 1.037 273 G CA 0.760 45.888 45.100 0.046 0.000 1.074 273 G HN 0.605 nan 8.290 nan 0.000 0.511 274 T N -1.410 113.215 114.554 0.118 0.000 2.903 274 T HA 0.660 5.009 4.350 -0.001 0.000 0.299 274 T C 0.447 175.276 174.700 0.215 0.000 1.093 274 T CA -0.353 61.850 62.100 0.172 0.000 1.002 274 T CB 1.750 70.732 68.868 0.189 0.000 1.127 274 T HN 0.206 nan 8.240 nan 0.000 0.488 275 Q N 1.860 121.804 119.800 0.240 0.000 2.118 275 Q HA 0.274 4.613 4.340 -0.001 0.000 0.219 275 Q C -0.536 175.550 176.000 0.143 0.000 0.794 275 Q CA -0.467 55.488 55.803 0.254 0.000 1.035 275 Q CB 0.423 29.291 28.738 0.216 0.000 1.177 275 Q HN 0.716 nan 8.270 nan 0.000 0.478 276 F N 3.926 123.900 119.950 0.040 0.000 2.417 276 F HA -0.063 4.463 4.527 -0.001 0.000 0.412 276 F C -1.688 173.951 175.800 -0.268 0.000 0.964 276 F CA -0.659 57.290 58.000 -0.085 0.000 1.081 276 F CB 0.961 39.944 39.000 -0.028 0.000 0.909 276 F HN 0.086 nan 8.300 nan 0.000 0.522 277 P HA -0.027 nan 4.420 nan 0.000 0.257 277 P C -0.793 175.936 177.300 -0.952 0.000 1.241 277 P CA 0.519 62.771 63.100 -1.414 0.000 0.816 277 P CB 0.028 30.973 31.700 -1.258 0.000 1.150 278 Y N 0.934 120.838 120.300 -0.659 0.000 2.627 278 Y HA 0.315 4.864 4.550 -0.001 0.000 0.347 278 Y C 1.902 177.976 175.900 0.291 0.000 1.099 278 Y CA -0.396 57.607 58.100 -0.161 0.000 1.408 278 Y CB -0.135 38.199 38.460 -0.210 0.000 1.247 278 Y HN -0.229 nan 8.280 nan 0.000 0.506 279 R N 1.692 122.433 120.500 0.402 0.000 2.127 279 R HA -0.188 4.151 4.340 -0.001 0.000 0.238 279 R C 2.038 178.614 176.300 0.460 0.000 1.134 279 R CA 1.360 57.754 56.100 0.489 0.000 0.975 279 R CB -0.120 30.360 30.300 0.301 0.000 0.865 279 R HN 0.721 nan 8.270 nan 0.000 0.447 280 A N -0.231 122.783 122.820 0.322 0.000 2.209 280 A HA -0.034 4.285 4.320 -0.001 0.000 0.212 280 A C 1.287 178.892 177.584 0.035 0.000 1.158 280 A CA 0.689 52.796 52.037 0.117 0.000 0.742 280 A CB -0.281 18.690 19.000 -0.048 0.000 0.790 280 A HN 0.223 nan 8.150 nan 0.000 0.472 281 F N -1.980 118.152 119.950 0.304 0.000 2.765 281 F HA 0.216 4.742 4.527 -0.001 0.000 0.302 281 F C 0.239 176.093 175.800 0.090 0.000 1.111 281 F CA -0.138 58.013 58.000 0.252 0.000 1.359 281 F CB -0.142 39.058 39.000 0.334 0.000 1.097 281 F HN 0.139 nan 8.300 nan 0.000 0.577 282 Y N 1.980 122.470 120.300 0.317 0.000 2.301 282 Y HA 0.267 4.817 4.550 -0.001 0.000 0.325 282 Y C -1.739 174.218 175.900 0.095 0.000 1.203 282 Y CA -3.173 55.036 58.100 0.183 0.000 1.255 282 Y CB -0.152 38.419 38.460 0.184 0.000 1.232 282 Y HN -0.208 nan 8.280 nan 0.000 0.501 283 P HA -0.028 nan 4.420 nan 0.000 0.268 283 P C 0.472 177.830 177.300 0.096 0.000 1.204 283 P CA 0.129 63.287 63.100 0.096 0.000 0.768 283 P CB 1.102 32.839 31.700 0.061 0.000 0.842 284 T N -0.695 113.895 114.554 0.061 0.000 2.708 284 T HA -0.139 4.210 4.350 -0.001 0.000 0.266 284 T C 1.093 175.811 174.700 0.031 0.000 1.037 284 T CA 1.395 63.525 62.100 0.049 0.000 1.146 284 T CB -0.519 68.371 68.868 0.037 0.000 0.865 284 T HN 0.259 nan 8.240 nan 0.000 0.435 285 D N 1.476 121.887 120.400 0.017 0.000 2.367 285 D HA 0.449 5.089 4.640 -0.001 0.000 0.207 285 D C 1.029 177.327 176.300 -0.004 0.000 1.034 285 D CA 0.168 54.170 54.000 0.004 0.000 0.861 285 D CB 0.005 40.803 40.800 -0.005 0.000 0.943 285 D HN 0.604 nan 8.370 nan 0.000 0.515 286 A N 0.693 123.513 122.820 -0.001 0.000 2.492 286 A HA 0.098 4.417 4.320 -0.001 0.000 0.236 286 A C 0.506 178.088 177.584 -0.004 0.000 1.078 286 A CA 0.091 52.122 52.037 -0.011 0.000 0.773 286 A CB 0.295 19.293 19.000 -0.002 0.000 1.023 286 A HN -0.096 nan 8.150 nan 0.000 0.504 287 K N 0.528 120.922 120.400 -0.011 0.000 2.297 287 K HA 0.487 4.807 4.320 -0.001 0.000 0.286 287 K C -0.859 175.745 176.600 0.007 0.000 1.053 287 K CA 0.447 56.732 56.287 -0.003 0.000 0.940 287 K CB 0.215 32.712 32.500 -0.005 0.000 1.019 287 K HN 0.494 nan 8.250 nan 0.000 0.475 288 I N 5.865 126.441 120.570 0.009 0.000 2.378 288 I HA 0.363 4.532 4.170 -0.001 0.000 0.291 288 I C -0.374 175.752 176.117 0.016 0.000 0.992 288 I CA -0.758 60.553 61.300 0.019 0.000 1.154 288 I CB 1.282 39.285 38.000 0.006 0.000 1.315 288 I HN 0.414 nan 8.210 nan 0.000 0.448 289 I N 5.818 126.406 120.570 0.031 0.000 2.433 289 I HA 0.386 4.555 4.170 -0.001 0.000 0.292 289 I C -0.434 175.705 176.117 0.036 0.000 1.001 289 I CA -0.458 60.860 61.300 0.030 0.000 1.119 289 I CB 1.929 39.954 38.000 0.042 0.000 1.289 289 I HN 0.560 nan 8.210 nan 0.000 0.438 290 Q N 6.617 126.431 119.800 0.022 0.000 2.323 290 Q HA 0.646 4.986 4.340 -0.001 0.000 0.271 290 Q C -1.749 174.258 176.000 0.012 0.000 1.048 290 Q CA -0.552 55.267 55.803 0.027 0.000 0.792 290 Q CB 2.193 30.944 28.738 0.021 0.000 1.280 290 Q HN 0.608 nan 8.270 nan 0.000 0.441 291 I N 3.132 123.709 120.570 0.012 0.000 2.406 291 I HA 0.528 4.697 4.170 -0.001 0.000 0.290 291 I C -0.769 175.346 176.117 -0.003 0.000 0.999 291 I CA -0.631 60.664 61.300 -0.008 0.000 1.124 291 I CB 1.762 39.743 38.000 -0.031 0.000 1.289 291 I HN 0.624 nan 8.210 nan 0.000 0.441 292 D N 4.776 125.169 120.400 -0.010 0.000 2.654 292 D HA 0.312 4.952 4.640 -0.001 0.000 0.231 292 D C 0.324 176.610 176.300 -0.023 0.000 1.239 292 D CA -0.462 53.532 54.000 -0.011 0.000 0.790 292 D CB 2.537 43.338 40.800 0.002 0.000 1.480 292 D HN 0.530 nan 8.370 nan 0.000 0.442 293 I N -0.476 120.074 120.570 -0.032 0.000 3.251 293 I HA 0.192 4.361 4.170 -0.001 0.000 0.277 293 I C 0.687 176.782 176.117 -0.036 0.000 1.268 293 I CA 0.103 61.381 61.300 -0.036 0.000 1.449 293 I CB -0.120 37.854 38.000 -0.043 0.000 1.083 293 I HN -0.036 nan 8.210 nan 0.000 0.464 294 N N 1.801 120.479 118.700 -0.038 0.000 2.476 294 N HA 0.305 5.044 4.740 -0.001 0.000 0.257 294 N C -1.993 173.505 175.510 -0.019 0.000 0.970 294 N CA -2.536 50.493 53.050 -0.034 0.000 0.938 294 N CB 1.764 40.219 38.487 -0.054 0.000 1.144 294 N HN -0.212 nan 8.380 nan 0.000 0.500 295 P HA -0.103 nan 4.420 nan 0.000 0.217 295 P C 0.678 177.972 177.300 -0.010 0.000 1.148 295 P CA 1.115 64.208 63.100 -0.012 0.000 0.828 295 P CB 0.263 31.958 31.700 -0.009 0.000 0.783 296 A N -1.090 121.727 122.820 -0.005 0.000 2.121 296 A HA -0.077 4.243 4.320 -0.001 0.000 0.218 296 A C 2.161 179.740 177.584 -0.009 0.000 1.154 296 A CA 1.520 53.556 52.037 -0.002 0.000 0.679 296 A CB -1.065 17.945 19.000 0.017 0.000 0.795 296 A HN 0.136 nan 8.150 nan 0.000 0.458 297 S N -0.578 115.121 115.700 -0.002 0.000 2.501 297 S HA 0.225 4.694 4.470 -0.001 0.000 0.220 297 S C 0.590 175.187 174.600 -0.004 0.000 0.997 297 S CA -0.158 58.050 58.200 0.014 0.000 0.919 297 S CB -0.171 63.050 63.200 0.035 0.000 0.778 297 S HN 0.505 nan 8.310 nan 0.000 0.523 298 I N 2.227 122.787 120.570 -0.016 0.000 2.421 298 I HA 0.260 4.429 4.170 -0.001 0.000 0.291 298 I C 1.289 177.378 176.117 -0.048 0.000 1.089 298 I CA 0.102 61.389 61.300 -0.022 0.000 1.354 298 I CB 0.296 38.285 38.000 -0.018 0.000 1.413 298 I HN 0.367 nan 8.210 nan 0.000 0.513 299 G N 4.501 113.263 108.800 -0.063 0.000 2.141 299 G HA2 -0.300 3.659 3.960 -0.001 0.000 0.242 299 G HA3 -0.300 3.659 3.960 -0.001 0.000 0.242 299 G C 0.978 175.790 174.900 -0.148 0.000 0.982 299 G CA 0.293 45.337 45.100 -0.093 0.000 0.662 299 G HN 0.778 nan 8.290 nan 0.000 0.527 300 A N -0.514 122.182 122.820 -0.207 0.000 2.014 300 A HA 0.214 4.533 4.320 -0.001 0.000 0.218 300 A C 1.564 178.721 177.584 -0.712 0.000 1.163 300 A CA 1.889 53.653 52.037 -0.454 0.000 0.652 300 A CB -0.230 18.449 19.000 -0.535 0.000 0.808 300 A HN 0.707 nan 8.150 nan 0.000 0.449 301 H N -1.518 117.525 119.070 -0.045 0.000 3.182 301 H HA 0.279 4.834 4.556 -0.001 0.000 0.254 301 H C -0.293 174.894 175.328 -0.236 0.000 1.197 301 H CA 0.616 56.642 56.048 -0.036 0.000 1.061 301 H CB 0.149 29.979 29.762 0.113 0.000 1.722 301 H HN 0.558 nan 8.280 nan 0.000 0.662 302 S N 0.232 115.789 115.700 -0.238 0.000 2.595 302 S HA 0.351 4.820 4.470 -0.001 0.000 0.270 302 S C -0.797 173.697 174.600 -0.177 0.000 1.145 302 S CA -1.183 56.822 58.200 -0.324 0.000 0.825 302 S CB 2.556 65.303 63.200 -0.755 0.000 1.107 302 S HN 0.303 nan 8.310 nan 0.000 0.461 303 K N 0.228 120.556 120.400 -0.119 0.000 2.230 303 K HA 0.639 4.958 4.320 -0.001 0.000 0.253 303 K C -0.876 175.678 176.600 -0.077 0.000 1.008 303 K CA -0.644 55.599 56.287 -0.074 0.000 0.910 303 K CB 0.401 32.877 32.500 -0.041 0.000 0.994 303 K HN 0.463 nan 8.250 nan 0.000 0.495 304 V N 2.182 122.066 119.914 -0.050 0.000 2.524 304 V HA 0.065 4.184 4.120 -0.001 0.000 0.297 304 V C -0.307 175.774 176.094 -0.022 0.000 1.035 304 V CA -0.706 61.572 62.300 -0.037 0.000 0.867 304 V CB 1.543 33.345 31.823 -0.036 0.000 1.004 304 V HN 0.936 nan 8.190 nan 0.000 0.426 305 D N 3.412 123.805 120.400 -0.013 0.000 2.240 305 D HA 0.113 4.752 4.640 -0.001 0.000 0.206 305 D C 0.438 176.736 176.300 -0.004 0.000 0.963 305 D CA 1.002 54.997 54.000 -0.008 0.000 0.863 305 D CB 0.874 41.672 40.800 -0.004 0.000 0.973 305 D HN 0.423 nan 8.370 nan 0.000 0.501 306 M N 0.607 120.206 119.600 -0.001 0.000 2.271 306 M HA 0.463 4.942 4.480 -0.001 0.000 0.285 306 M C -2.175 174.124 176.300 -0.001 0.000 1.059 306 M CA -0.419 54.882 55.300 0.001 0.000 0.940 306 M CB 2.486 35.091 32.600 0.008 0.000 1.636 306 M HN -0.195 nan 8.290 nan 0.000 0.460 307 A N 4.933 127.750 122.820 -0.005 0.000 2.342 307 A HA 0.901 5.220 4.320 -0.001 0.000 0.323 307 A C -1.814 175.764 177.584 -0.009 0.000 1.125 307 A CA -0.571 51.462 52.037 -0.007 0.000 0.785 307 A CB 1.152 20.146 19.000 -0.011 0.000 1.221 307 A HN 0.744 nan 8.150 nan 0.000 0.463 308 L N 1.885 123.101 121.223 -0.012 0.000 2.431 308 L HA 0.501 4.840 4.340 -0.001 0.000 0.266 308 L C -0.537 176.321 176.870 -0.020 0.000 0.978 308 L CA -0.483 54.347 54.840 -0.017 0.000 0.822 308 L CB 2.115 44.160 42.059 -0.024 0.000 1.310 308 L HN 0.402 nan 8.230 nan 0.000 0.409 309 V N 1.930 121.831 119.914 -0.021 0.000 2.383 309 V HA 0.928 5.047 4.120 -0.001 0.000 0.275 309 V C 0.514 176.592 176.094 -0.027 0.000 1.036 309 V CA -0.091 62.196 62.300 -0.022 0.000 0.889 309 V CB 0.784 32.595 31.823 -0.019 0.000 0.985 309 V HN 0.910 nan 8.190 nan 0.000 0.459 310 G N 3.398 112.179 108.800 -0.031 0.000 2.519 310 G HA2 0.462 4.421 3.960 -0.001 0.000 0.292 310 G HA3 0.462 4.421 3.960 -0.001 0.000 0.292 310 G C -1.703 173.173 174.900 -0.039 0.000 1.507 310 G CA -0.773 44.305 45.100 -0.037 0.000 0.806 310 G HN 0.769 nan 8.290 nan 0.000 0.523 311 D N 0.341 120.717 120.400 -0.039 0.000 2.304 311 D HA 0.306 4.946 4.640 -0.001 0.000 0.250 311 D C 1.499 177.768 176.300 -0.050 0.000 1.107 311 D CA -0.707 53.269 54.000 -0.040 0.000 0.885 311 D CB 0.664 41.444 40.800 -0.032 0.000 1.192 311 D HN 0.098 nan 8.370 nan 0.000 0.436 312 I N 3.078 123.618 120.570 -0.051 0.000 2.179 312 I HA -0.194 3.975 4.170 -0.001 0.000 0.242 312 I C 2.203 178.276 176.117 -0.074 0.000 1.088 312 I CA 1.350 62.611 61.300 -0.066 0.000 1.357 312 I CB -1.185 36.784 38.000 -0.051 0.000 1.051 312 I HN 0.713 nan 8.210 nan 0.000 0.409 313 K N 1.181 121.551 120.400 -0.051 0.000 2.009 313 K HA -0.210 4.109 4.320 -0.001 0.000 0.210 313 K C 2.373 178.942 176.600 -0.051 0.000 1.049 313 K CA 2.387 58.649 56.287 -0.042 0.000 0.929 313 K CB -0.013 32.475 32.500 -0.021 0.000 0.714 313 K HN 0.406 nan 8.250 nan 0.000 0.440 314 S N -0.530 115.143 115.700 -0.046 0.000 2.406 314 S HA -0.079 4.390 4.470 -0.001 0.000 0.228 314 S C 1.918 176.480 174.600 -0.063 0.000 1.020 314 S CA 1.483 59.657 58.200 -0.044 0.000 0.965 314 S CB -0.439 62.741 63.200 -0.033 0.000 0.798 314 S HN 0.318 nan 8.310 nan 0.000 0.488 315 T N 3.391 117.897 114.554 -0.079 0.000 2.674 315 T HA 0.092 4.442 4.350 -0.001 0.000 0.265 315 T C 1.750 176.359 174.700 -0.151 0.000 1.039 315 T CA 1.564 63.602 62.100 -0.105 0.000 1.150 315 T CB -0.576 68.225 68.868 -0.112 0.000 0.864 315 T HN 0.317 nan 8.240 nan 0.000 0.427 316 L N 0.262 121.374 121.223 -0.186 0.000 2.083 316 L HA -0.071 4.268 4.340 -0.001 0.000 0.209 316 L C 2.913 179.693 176.870 -0.149 0.000 1.083 316 L CA 1.305 55.992 54.840 -0.254 0.000 0.752 316 L CB -0.503 41.395 42.059 -0.269 0.000 0.899 316 L HN 0.161 nan 8.230 nan 0.000 0.433 317 R N -0.135 120.310 120.500 -0.092 0.000 2.096 317 R HA -0.137 4.202 4.340 -0.001 0.000 0.235 317 R C 2.376 178.645 176.300 -0.051 0.000 1.127 317 R CA 1.423 57.490 56.100 -0.055 0.000 0.968 317 R CB -0.322 29.957 30.300 -0.036 0.000 0.861 317 R HN 0.364 nan 8.270 nan 0.000 0.440 318 A N 0.371 123.155 122.820 -0.061 0.000 1.970 318 A HA -0.070 4.249 4.320 -0.001 0.000 0.216 318 A C 1.926 179.478 177.584 -0.054 0.000 1.170 318 A CA 0.631 52.639 52.037 -0.049 0.000 0.645 318 A CB -0.178 18.794 19.000 -0.046 0.000 0.816 318 A HN 0.222 nan 8.150 nan 0.000 0.447 319 L N -0.366 120.805 121.223 -0.087 0.000 2.095 319 L HA 0.056 4.395 4.340 -0.001 0.000 0.204 319 L C 2.188 179.032 176.870 -0.044 0.000 1.080 319 L CA 1.348 56.135 54.840 -0.088 0.000 0.759 319 L CB -0.542 41.407 42.059 -0.182 0.000 0.914 319 L HN 0.359 nan 8.230 nan 0.000 0.439 320 L N 0.053 121.250 121.223 -0.043 0.000 2.021 320 L HA -0.226 4.113 4.340 -0.001 0.000 0.215 320 L C -0.318 176.566 176.870 0.023 0.000 1.074 320 L CA 1.828 56.681 54.840 0.022 0.000 0.760 320 L CB -1.846 40.225 42.059 0.021 0.000 0.889 320 L HN 0.287 nan 8.230 nan 0.000 0.433 321 P HA -0.111 nan 4.420 nan 0.000 0.226 321 P C 1.569 178.871 177.300 0.004 0.000 1.153 321 P CA 1.182 64.284 63.100 0.004 0.000 0.777 321 P CB 0.081 31.779 31.700 -0.002 0.000 0.794 322 L N -2.106 119.119 121.223 0.004 0.000 2.446 322 L HA 0.071 4.410 4.340 -0.001 0.000 0.219 322 L C 0.622 177.498 176.870 0.009 0.000 1.116 322 L CA 0.122 54.963 54.840 0.003 0.000 0.844 322 L CB -0.091 41.967 42.059 -0.001 0.000 0.970 322 L HN -0.246 nan 8.230 nan 0.000 0.457 323 V N 0.826 120.756 119.914 0.026 0.000 2.432 323 V HA 0.103 4.222 4.120 -0.001 0.000 0.275 323 V C 0.375 176.473 176.094 0.006 0.000 1.043 323 V CA -0.538 61.783 62.300 0.036 0.000 0.925 323 V CB 1.393 33.283 31.823 0.112 0.000 0.985 323 V HN 0.153 nan 8.190 nan 0.000 0.466 324 E N 3.372 123.557 120.200 -0.024 0.000 2.354 324 E HA 0.142 4.491 4.350 -0.001 0.000 0.269 324 E C 0.062 176.633 176.600 -0.048 0.000 1.036 324 E CA -0.328 56.048 56.400 -0.040 0.000 0.876 324 E CB 0.774 30.435 29.700 -0.065 0.000 1.009 324 E HN 0.678 nan 8.360 nan 0.000 0.416 325 E N 3.207 123.382 120.200 -0.042 0.000 2.376 325 E HA -0.008 4.341 4.350 -0.001 0.000 0.266 325 E C -0.679 175.885 176.600 -0.059 0.000 1.009 325 E CA 0.122 56.492 56.400 -0.050 0.000 0.902 325 E CB 0.576 30.256 29.700 -0.034 0.000 0.972 325 E HN 0.241 nan 8.360 nan 0.000 0.439 326 K N 2.269 122.625 120.400 -0.073 0.000 2.156 326 K HA 0.315 4.634 4.320 -0.001 0.000 0.271 326 K C 0.154 176.726 176.600 -0.047 0.000 0.995 326 K CA -0.292 55.955 56.287 -0.067 0.000 0.890 326 K CB 1.847 34.298 32.500 -0.082 0.000 1.073 326 K HN 0.464 nan 8.250 nan 0.000 0.454 327 A N 1.692 124.491 122.820 -0.034 0.000 2.030 327 A HA -0.073 4.246 4.320 -0.001 0.000 0.215 327 A C 0.605 178.183 177.584 -0.010 0.000 1.164 327 A CA 0.657 52.682 52.037 -0.019 0.000 0.697 327 A CB -0.126 18.865 19.000 -0.014 0.000 0.827 327 A HN 0.757 nan 8.150 nan 0.000 0.457 328 D N 0.716 121.109 120.400 -0.013 0.000 2.338 328 D HA 0.203 4.843 4.640 -0.001 0.000 0.255 328 D C 0.859 177.168 176.300 0.015 0.000 1.237 328 D CA -0.116 53.885 54.000 0.002 0.000 0.883 328 D CB 0.366 41.164 40.800 -0.002 0.000 1.087 328 D HN 0.469 nan 8.370 nan 0.000 0.485 329 R N 2.276 122.792 120.500 0.028 0.000 2.596 329 R HA 0.265 4.604 4.340 -0.001 0.000 0.369 329 R C 1.035 177.368 176.300 0.055 0.000 1.042 329 R CA -0.562 55.563 56.100 0.041 0.000 1.120 329 R CB 0.199 30.519 30.300 0.033 0.000 1.353 329 R HN 0.116 nan 8.270 nan 0.000 0.564 330 K N 0.632 121.073 120.400 0.067 0.000 2.032 330 K HA -0.135 4.184 4.320 -0.001 0.000 0.209 330 K C 1.332 177.998 176.600 0.110 0.000 1.048 330 K CA 1.870 58.201 56.287 0.074 0.000 0.927 330 K CB -0.247 32.297 32.500 0.074 0.000 0.712 330 K HN 0.086 nan 8.250 nan 0.000 0.441 331 F N 1.723 121.666 119.950 -0.012 0.000 2.102 331 F HA -0.193 4.333 4.527 -0.001 0.000 0.298 331 F C 1.963 177.760 175.800 -0.005 0.000 1.105 331 F CA 1.079 59.071 58.000 -0.014 0.000 1.239 331 F CB -0.489 38.496 39.000 -0.026 0.000 0.991 331 F HN -0.063 nan 8.300 nan 0.000 0.474 332 L N 0.695 121.896 121.223 -0.036 0.000 2.012 332 L HA -0.217 4.122 4.340 -0.001 0.000 0.210 332 L C 1.962 178.773 176.870 -0.100 0.000 1.073 332 L CA 2.227 57.004 54.840 -0.107 0.000 0.748 332 L CB -1.261 40.811 42.059 0.021 0.000 0.891 332 L HN 0.050 nan 8.230 nan 0.000 0.431 333 D N -0.407 119.970 120.400 -0.039 0.000 2.117 333 D HA -0.207 4.432 4.640 -0.001 0.000 0.197 333 D C 2.150 178.424 176.300 -0.043 0.000 0.987 333 D CA 1.306 55.291 54.000 -0.025 0.000 0.829 333 D CB -0.040 40.761 40.800 0.001 0.000 0.961 333 D HN 0.256 nan 8.370 nan 0.000 0.460 334 K N 1.106 121.465 120.400 -0.068 0.000 2.057 334 K HA -0.008 4.312 4.320 -0.001 0.000 0.206 334 K C 1.827 178.364 176.600 -0.106 0.000 1.050 334 K CA 1.414 57.660 56.287 -0.069 0.000 0.935 334 K CB -0.501 31.968 32.500 -0.051 0.000 0.715 334 K HN 0.005 nan 8.250 nan 0.000 0.439 335 A N 0.728 123.409 122.820 -0.231 0.000 1.908 335 A HA -0.116 4.203 4.320 -0.001 0.000 0.218 335 A C 2.218 179.774 177.584 -0.047 0.000 1.181 335 A CA 1.654 53.566 52.037 -0.208 0.000 0.627 335 A CB -0.728 18.041 19.000 -0.385 0.000 0.818 335 A HN 0.333 nan 8.150 nan 0.000 0.445 336 L N -1.075 120.126 121.223 -0.037 0.000 2.083 336 L HA -0.184 4.155 4.340 -0.001 0.000 0.209 336 L C 2.646 179.578 176.870 0.102 0.000 1.083 336 L CA 1.713 56.581 54.840 0.047 0.000 0.752 336 L CB -0.428 41.636 42.059 0.008 0.000 0.899 336 L HN 0.571 nan 8.230 nan 0.000 0.433 337 E N 0.206 120.434 120.200 0.047 0.000 2.072 337 E HA -0.226 4.123 4.350 -0.001 0.000 0.190 337 E C 1.624 178.261 176.600 0.061 0.000 0.982 337 E CA 1.231 57.657 56.400 0.044 0.000 0.803 337 E CB 0.181 29.893 29.700 0.019 0.000 0.755 337 E HN 0.376 nan 8.360 nan 0.000 0.453 338 D N -0.396 120.048 120.400 0.072 0.000 2.123 338 D HA -0.195 4.445 4.640 -0.001 0.000 0.196 338 D C 1.563 177.953 176.300 0.149 0.000 0.992 338 D CA 0.936 55.002 54.000 0.110 0.000 0.833 338 D CB -0.336 40.541 40.800 0.128 0.000 0.954 338 D HN 0.262 nan 8.370 nan 0.000 0.455 339 Y N 1.236 121.562 120.300 0.044 0.000 2.145 339 Y HA -0.173 4.377 4.550 -0.001 0.000 0.286 339 Y C 2.293 178.222 175.900 0.049 0.000 1.145 339 Y CA 1.544 59.687 58.100 0.071 0.000 1.148 339 Y CB -0.174 38.316 38.460 0.050 0.000 0.981 339 Y HN -0.216 nan 8.280 nan 0.000 0.507 340 R N 0.572 121.046 120.500 -0.042 0.000 2.091 340 R HA -0.164 4.175 4.340 -0.001 0.000 0.238 340 R C 1.897 178.110 176.300 -0.145 0.000 1.136 340 R CA 1.899 57.917 56.100 -0.138 0.000 0.959 340 R CB -0.426 29.859 30.300 -0.026 0.000 0.856 340 R HN 0.394 nan 8.270 nan 0.000 0.437 341 D N -0.230 120.131 120.400 -0.065 0.000 2.097 341 D HA -0.117 4.523 4.640 -0.001 0.000 0.195 341 D C 1.751 178.005 176.300 -0.077 0.000 0.989 341 D CA 1.620 55.593 54.000 -0.045 0.000 0.827 341 D CB -0.342 40.464 40.800 0.010 0.000 0.966 341 D HN 0.290 nan 8.370 nan 0.000 0.456 342 A N 1.167 123.943 122.820 -0.075 0.000 1.902 342 A HA -0.163 4.156 4.320 -0.001 0.000 0.217 342 A C 2.175 179.596 177.584 -0.273 0.000 1.181 342 A CA 1.122 53.107 52.037 -0.086 0.000 0.623 342 A CB -0.275 18.786 19.000 0.102 0.000 0.818 342 A HN 0.022 nan 8.150 nan 0.000 0.443 343 R N -0.272 119.976 120.500 -0.420 0.000 2.115 343 R HA -0.091 4.248 4.340 -0.001 0.000 0.230 343 R C 2.165 178.304 176.300 -0.269 0.000 1.111 343 R CA 1.528 57.351 56.100 -0.462 0.000 0.976 343 R CB -0.440 29.505 30.300 -0.593 0.000 0.870 343 R HN 0.713 nan 8.270 nan 0.000 0.445 344 K N -0.035 120.246 120.400 -0.198 0.000 2.097 344 K HA -0.084 4.235 4.320 -0.001 0.000 0.205 344 K C 1.993 178.537 176.600 -0.093 0.000 1.050 344 K CA 1.493 57.709 56.287 -0.119 0.000 0.938 344 K CB -0.260 32.187 32.500 -0.088 0.000 0.718 344 K HN 0.184 nan 8.250 nan 0.000 0.442 345 G N 1.359 110.100 108.800 -0.099 0.000 2.418 345 G HA2 -0.205 3.754 3.960 -0.001 0.000 0.217 345 G HA3 -0.205 3.754 3.960 -0.001 0.000 0.217 345 G C 1.342 176.205 174.900 -0.063 0.000 1.158 345 G CA 0.419 45.479 45.100 -0.067 0.000 0.771 345 G HN 0.152 nan 8.290 nan 0.000 0.545 346 L N 1.293 122.441 121.223 -0.126 0.000 2.042 346 L HA -0.050 4.290 4.340 -0.001 0.000 0.210 346 L C 2.304 179.227 176.870 0.089 0.000 1.076 346 L CA 1.623 56.407 54.840 -0.093 0.000 0.749 346 L CB -0.780 41.045 42.059 -0.389 0.000 0.893 346 L HN 0.141 nan 8.230 nan 0.000 0.432 347 D N -0.728 119.680 120.400 0.014 0.000 2.178 347 D HA -0.143 4.496 4.640 -0.001 0.000 0.202 347 D C 1.748 178.060 176.300 0.020 0.000 0.974 347 D CA 0.822 54.852 54.000 0.051 0.000 0.841 347 D CB -0.086 40.709 40.800 -0.008 0.000 0.953 347 D HN 0.303 nan 8.370 nan 0.000 0.478 348 D N -0.037 120.355 120.400 -0.012 0.000 2.219 348 D HA -0.043 4.596 4.640 -0.001 0.000 0.205 348 D C 2.076 178.342 176.300 -0.058 0.000 0.970 348 D CA 0.283 54.262 54.000 -0.034 0.000 0.851 348 D CB -0.008 40.768 40.800 -0.040 0.000 0.943 348 D HN 0.262 nan 8.370 nan 0.000 0.488 349 L N 0.067 121.260 121.223 -0.049 0.000 2.395 349 L HA 0.062 4.401 4.340 -0.001 0.000 0.218 349 L C 1.349 178.119 176.870 -0.167 0.000 1.130 349 L CA 0.264 55.026 54.840 -0.130 0.000 0.826 349 L CB -0.018 42.001 42.059 -0.067 0.000 0.941 349 L HN -0.110 nan 8.230 nan 0.000 0.451 350 A N 0.091 122.857 122.820 -0.090 0.000 3.282 350 A HA 0.275 4.594 4.320 -0.001 0.000 0.287 350 A C -0.004 177.612 177.584 0.053 0.000 1.366 350 A CA -0.285 51.696 52.037 -0.093 0.000 1.069 350 A CB -0.360 18.524 19.000 -0.194 0.000 1.109 350 A HN -0.087 nan 8.150 nan 0.000 0.638 351 K N 1.408 121.790 120.400 -0.030 0.000 2.203 351 K HA 0.530 4.849 4.320 -0.001 0.000 0.251 351 K C -3.008 173.276 176.600 -0.527 0.000 0.944 351 K CA -2.409 53.777 56.287 -0.168 0.000 0.829 351 K CB 1.659 34.098 32.500 -0.102 0.000 1.125 351 K HN 0.171 nan 8.250 nan 0.000 0.430 352 P HA 0.148 nan 4.420 nan 0.000 0.272 352 P C -0.468 176.568 177.300 -0.439 0.000 1.230 352 P CA -0.213 62.306 63.100 -0.968 0.000 0.788 352 P CB 1.043 32.302 31.700 -0.736 0.000 0.949 353 S N -0.291 115.185 115.700 -0.373 0.000 2.596 353 S HA 0.240 4.709 4.470 -0.001 0.000 0.270 353 S C 0.385 174.860 174.600 -0.208 0.000 1.155 353 S CA -0.483 57.568 58.200 -0.248 0.000 0.827 353 S CB 1.298 64.341 63.200 -0.262 0.000 1.130 353 S HN 0.356 nan 8.310 nan 0.000 0.467 354 E N 0.546 120.657 120.200 -0.148 0.000 2.400 354 E HA 0.143 4.492 4.350 -0.001 0.000 0.195 354 E C 1.099 177.630 176.600 -0.116 0.000 1.012 354 E CA 0.261 56.591 56.400 -0.117 0.000 0.875 354 E CB 0.178 29.827 29.700 -0.084 0.000 0.859 354 E HN 0.359 nan 8.360 nan 0.000 0.498 355 K N 0.451 120.771 120.400 -0.133 0.000 2.001 355 K HA 0.071 4.391 4.320 -0.001 0.000 0.208 355 K C 0.122 176.639 176.600 -0.139 0.000 1.048 355 K CA 1.115 57.331 56.287 -0.117 0.000 0.932 355 K CB 0.297 32.736 32.500 -0.102 0.000 0.715 355 K HN 0.103 nan 8.250 nan 0.000 0.437 356 A N -0.889 121.798 122.820 -0.222 0.000 2.549 356 A HA 0.425 4.744 4.320 -0.001 0.000 0.291 356 A C -1.498 175.887 177.584 -0.331 0.000 1.034 356 A CA -0.865 51.047 52.037 -0.209 0.000 0.655 356 A CB 0.457 19.367 19.000 -0.149 0.000 1.299 356 A HN 0.060 nan 8.150 nan 0.000 0.427 357 I N 3.009 123.445 120.570 -0.223 0.000 2.312 357 I HA 0.236 4.405 4.170 -0.001 0.000 0.291 357 I C -0.223 175.778 176.117 -0.194 0.000 1.031 357 I CA -0.555 60.622 61.300 -0.205 0.000 1.293 357 I CB 0.613 38.553 38.000 -0.100 0.000 1.403 357 I HN 0.507 nan 8.210 nan 0.000 0.484 358 H N 8.652 127.670 119.070 -0.087 0.000 2.975 358 H HA 0.070 4.625 4.556 -0.001 0.000 0.303 358 H C -1.463 173.738 175.328 -0.212 0.000 1.023 358 H CA -2.011 53.949 56.048 -0.147 0.000 1.473 358 H CB 0.523 30.182 29.762 -0.171 0.000 1.498 358 H HN 0.422 nan 8.280 nan 0.000 0.549 359 P HA -0.174 nan 4.420 nan 0.000 0.219 359 P C 1.228 178.153 177.300 -0.626 0.000 1.146 359 P CA 1.117 64.030 63.100 -0.312 0.000 0.808 359 P CB 0.423 31.970 31.700 -0.256 0.000 0.779 360 Q N -1.012 118.264 119.800 -0.873 0.000 2.172 360 Q HA -0.185 4.154 4.340 -0.001 0.000 0.200 360 Q C 2.183 177.751 176.000 -0.719 0.000 0.964 360 Q CA 1.104 56.283 55.803 -1.040 0.000 0.855 360 Q CB -1.603 26.468 28.738 -1.112 0.000 0.918 360 Q HN 0.238 nan 8.270 nan 0.000 0.444 361 Y N 2.233 122.254 120.300 -0.466 0.000 2.128 361 Y HA -0.230 4.320 4.550 -0.001 0.000 0.284 361 Y C 2.217 177.981 175.900 -0.228 0.000 1.154 361 Y CA 1.477 59.404 58.100 -0.289 0.000 1.149 361 Y CB -0.434 37.927 38.460 -0.165 0.000 0.976 361 Y HN 0.156 nan 8.280 nan 0.000 0.505 362 L N 0.771 121.817 121.223 -0.294 0.000 2.012 362 L HA -0.101 4.239 4.340 -0.001 0.000 0.210 362 L C 2.419 179.172 176.870 -0.196 0.000 1.073 362 L CA 2.314 56.949 54.840 -0.342 0.000 0.748 362 L CB -1.404 40.420 42.059 -0.390 0.000 0.891 362 L HN 0.251 nan 8.230 nan 0.000 0.431 363 A N -1.047 121.732 122.820 -0.069 0.000 1.902 363 A HA -0.278 4.041 4.320 -0.001 0.000 0.217 363 A C 2.339 179.924 177.584 0.002 0.000 1.181 363 A CA 1.727 53.828 52.037 0.107 0.000 0.623 363 A CB -0.769 18.358 19.000 0.212 0.000 0.818 363 A HN 0.690 nan 8.150 nan 0.000 0.443 364 Q N -1.056 118.647 119.800 -0.163 0.000 2.124 364 Q HA -0.234 4.106 4.340 -0.001 0.000 0.202 364 Q C 1.964 177.913 176.000 -0.085 0.000 0.977 364 Q CA 1.623 57.371 55.803 -0.092 0.000 0.850 364 Q CB -0.108 28.536 28.738 -0.157 0.000 0.901 364 Q HN 0.639 nan 8.270 nan 0.000 0.429 365 Q N 0.081 119.770 119.800 -0.185 0.000 2.187 365 Q HA -0.026 4.314 4.340 -0.001 0.000 0.199 365 Q C 2.148 178.248 176.000 0.167 0.000 0.957 365 Q CA 0.703 56.454 55.803 -0.088 0.000 0.857 365 Q CB -0.046 28.553 28.738 -0.231 0.000 0.929 365 Q HN 0.501 nan 8.270 nan 0.000 0.453 366 I N 0.442 121.108 120.570 0.159 0.000 2.163 366 I HA -0.289 3.881 4.170 -0.001 0.000 0.243 366 I C 2.512 178.835 176.117 0.343 0.000 1.085 366 I CA 1.263 62.769 61.300 0.344 0.000 1.347 366 I CB -0.325 37.870 38.000 0.326 0.000 1.044 366 I HN 0.134 nan 8.210 nan 0.000 0.408 367 S N -0.348 115.450 115.700 0.163 0.000 2.382 367 S HA -0.295 4.174 4.470 -0.001 0.000 0.228 367 S C 2.110 176.785 174.600 0.125 0.000 1.027 367 S CA 1.752 60.011 58.200 0.099 0.000 0.991 367 S CB -0.373 62.837 63.200 0.018 0.000 0.823 367 S HN 0.554 nan 8.310 nan 0.000 0.469 368 H N -0.510 118.532 119.070 -0.047 0.000 2.357 368 H HA 0.074 4.629 4.556 -0.001 0.000 0.301 368 H C 1.280 176.484 175.328 -0.207 0.000 1.082 368 H CA 2.088 58.002 56.048 -0.223 0.000 1.342 368 H CB -0.296 29.178 29.762 -0.478 0.000 1.389 368 H HN 0.492 nan 8.280 nan 0.000 0.511 369 F N 0.124 120.146 119.950 0.119 0.000 2.714 369 F HA 0.408 4.934 4.527 -0.001 0.000 0.294 369 F C 1.610 177.560 175.800 0.250 0.000 1.120 369 F CA 0.379 58.464 58.000 0.143 0.000 1.398 369 F CB -0.394 38.749 39.000 0.240 0.000 1.120 369 F HN 0.180 nan 8.300 nan 0.000 0.589 370 A N 0.833 123.877 122.820 0.373 0.000 2.406 370 A HA 0.567 4.887 4.320 -0.001 0.000 0.243 370 A C 0.691 178.239 177.584 -0.059 0.000 1.082 370 A CA -0.108 51.904 52.037 -0.041 0.000 0.786 370 A CB -0.239 18.818 19.000 0.096 0.000 1.029 370 A HN 0.247 nan 8.150 nan 0.000 0.495 371 A N 0.444 123.139 122.820 -0.210 0.000 2.507 371 A HA 0.280 4.599 4.320 -0.001 0.000 0.235 371 A C 0.633 178.174 177.584 -0.072 0.000 1.070 371 A CA 0.230 52.188 52.037 -0.131 0.000 0.768 371 A CB -0.044 18.850 19.000 -0.177 0.000 1.011 371 A HN 0.781 nan 8.150 nan 0.000 0.502 372 D N 0.092 120.461 120.400 -0.051 0.000 2.350 372 D HA -0.053 4.586 4.640 -0.001 0.000 0.216 372 D C 0.282 176.552 176.300 -0.050 0.000 0.968 372 D CA 1.594 55.574 54.000 -0.033 0.000 0.894 372 D CB 0.136 40.915 40.800 -0.034 0.000 0.909 372 D HN 0.689 nan 8.370 nan 0.000 0.520 373 D N -1.001 119.350 120.400 -0.082 0.000 2.650 373 D HA 0.222 4.861 4.640 -0.001 0.000 0.265 373 D C 0.184 176.391 176.300 -0.156 0.000 1.339 373 D CA -0.529 53.413 54.000 -0.097 0.000 0.816 373 D CB -0.564 40.184 40.800 -0.086 0.000 1.091 373 D HN -0.064 nan 8.370 nan 0.000 0.483 374 A N 0.560 123.240 122.820 -0.234 0.000 2.466 374 A HA 0.420 4.739 4.320 -0.001 0.000 0.238 374 A C 0.248 177.530 177.584 -0.502 0.000 1.074 374 A CA -0.083 51.668 52.037 -0.477 0.000 0.774 374 A CB 0.165 18.674 19.000 -0.819 0.000 1.015 374 A HN 0.398 nan 8.150 nan 0.000 0.498 375 I N 1.468 121.745 120.570 -0.488 0.000 2.321 375 I HA 0.326 4.495 4.170 -0.001 0.000 0.291 375 I C -1.017 174.846 176.117 -0.425 0.000 0.998 375 I CA 0.029 61.137 61.300 -0.320 0.000 1.227 375 I CB 0.882 38.783 38.000 -0.166 0.000 1.368 375 I HN 0.489 nan 8.210 nan 0.000 0.466 376 F N 3.725 123.668 119.950 -0.011 0.000 2.443 376 F HA 0.532 5.059 4.527 -0.001 0.000 0.335 376 F C 0.722 176.530 175.800 0.012 0.000 1.104 376 F CA -0.635 57.374 58.000 0.014 0.000 1.013 376 F CB 1.980 41.005 39.000 0.042 0.000 1.136 376 F HN 0.350 nan 8.300 nan 0.000 0.470 377 T N -0.520 114.141 114.554 0.178 0.000 2.908 377 T HA 0.746 5.095 4.350 -0.001 0.000 0.290 377 T C -0.840 173.907 174.700 0.077 0.000 1.034 377 T CA -0.884 61.259 62.100 0.072 0.000 1.010 377 T CB 1.399 70.258 68.868 -0.016 0.000 1.068 377 T HN 0.924 nan 8.240 nan 0.000 0.481 378 C N 1.118 120.418 119.300 0.001 0.000 2.686 378 C HA 0.702 5.161 4.460 -0.001 0.000 0.318 378 C C -0.509 174.419 174.990 -0.104 0.000 1.160 378 C CA -1.027 57.981 59.018 -0.017 0.000 1.396 378 C CB 0.685 28.445 27.740 0.035 0.000 1.924 378 C HN 0.903 nan 8.230 nan 0.000 0.471 379 D N 1.738 122.067 120.400 -0.118 0.000 2.399 379 D HA 0.257 4.896 4.640 -0.001 0.000 0.241 379 D C 0.343 176.548 176.300 -0.160 0.000 1.133 379 D CA 0.236 54.148 54.000 -0.147 0.000 0.890 379 D CB 1.651 42.383 40.800 -0.114 0.000 1.201 379 D HN 0.564 nan 8.370 nan 0.000 0.432 380 V N 2.098 121.917 119.914 -0.159 0.000 2.599 380 V HA 0.449 4.568 4.120 -0.001 0.000 0.300 380 V C 1.208 177.191 176.094 -0.185 0.000 1.034 380 V CA 1.260 63.461 62.300 -0.165 0.000 1.115 380 V CB 0.248 31.998 31.823 -0.121 0.000 0.934 380 V HN 0.870 nan 8.190 nan 0.000 0.485 381 G N 3.993 112.601 108.800 -0.319 0.000 2.298 381 G HA2 -0.046 3.913 3.960 -0.001 0.000 0.309 381 G HA3 -0.046 3.913 3.960 -0.001 0.000 0.309 381 G C 0.618 175.263 174.900 -0.425 0.000 1.279 381 G CA 0.328 45.269 45.100 -0.265 0.000 1.042 381 G HN 1.078 nan 8.290 nan 0.000 0.480 382 T N -1.451 112.942 114.554 -0.267 0.000 2.803 382 T HA -0.027 4.322 4.350 -0.001 0.000 0.269 382 T C 0.093 174.311 174.700 -0.804 0.000 1.052 382 T CA 2.421 64.207 62.100 -0.523 0.000 1.136 382 T CB -1.010 67.756 68.868 -0.170 0.000 0.864 382 T HN 0.329 nan 8.240 nan 0.000 0.467 383 P HA 0.004 nan 4.420 nan 0.000 0.220 383 P C 1.590 178.672 177.300 -0.364 0.000 1.148 383 P CA 1.073 63.843 63.100 -0.549 0.000 0.803 383 P CB -0.364 31.063 31.700 -0.456 0.000 0.782 384 T N -0.903 113.449 114.554 -0.336 0.000 2.777 384 T HA -0.086 4.264 4.350 -0.001 0.000 0.266 384 T C 1.794 176.323 174.700 -0.285 0.000 1.040 384 T CA 1.188 63.169 62.100 -0.198 0.000 1.141 384 T CB -0.920 67.851 68.868 -0.161 0.000 0.868 384 T HN -0.103 nan 8.240 nan 0.000 0.444 385 V N 0.143 119.744 119.914 -0.521 0.000 2.287 385 V HA -0.200 3.920 4.120 -0.001 0.000 0.248 385 V C 2.103 178.067 176.094 -0.215 0.000 1.053 385 V CA 1.546 63.538 62.300 -0.515 0.000 1.027 385 V CB -0.892 30.390 31.823 -0.901 0.000 0.646 385 V HN 0.653 nan 8.190 nan 0.000 0.447 386 W N -0.008 121.293 121.300 0.002 0.000 2.418 386 W HA 0.042 4.701 4.660 -0.001 0.000 0.292 386 W C 2.657 179.250 176.519 0.125 0.000 1.213 386 W CA 0.462 57.893 57.345 0.143 0.000 1.283 386 W CB -0.472 29.020 29.460 0.054 0.000 1.119 386 W HN 0.176 nan 8.180 nan 0.000 0.542 387 A N 1.205 124.127 122.820 0.170 0.000 1.858 387 A HA -0.132 4.187 4.320 -0.001 0.000 0.216 387 A C 2.103 179.716 177.584 0.048 0.000 1.190 387 A CA 2.477 54.560 52.037 0.077 0.000 0.617 387 A CB -1.356 17.668 19.000 0.040 0.000 0.827 387 A HN 0.213 nan 8.150 nan 0.000 0.443 388 A N -0.382 122.445 122.820 0.011 0.000 1.917 388 A HA -0.214 4.105 4.320 -0.001 0.000 0.219 388 A C 2.264 179.882 177.584 0.057 0.000 1.182 388 A CA 1.845 53.885 52.037 0.004 0.000 0.633 388 A CB -0.415 18.554 19.000 -0.051 0.000 0.819 388 A HN 0.575 nan 8.150 nan 0.000 0.448 389 R N -3.255 117.257 120.500 0.020 0.000 2.223 389 R HA 0.118 4.457 4.340 -0.001 0.000 0.198 389 R C 0.887 176.862 176.300 -0.542 0.000 0.984 389 R CA 0.951 56.897 56.100 -0.257 0.000 1.018 389 R CB 0.029 30.097 30.300 -0.388 0.000 0.945 389 R HN 0.674 nan 8.270 nan 0.000 0.479 390 Y N -0.574 119.765 120.300 0.065 0.000 2.432 390 Y HA 0.276 4.826 4.550 -0.001 0.000 0.252 390 Y C 0.365 176.248 175.900 -0.029 0.000 1.097 390 Y CA -0.452 57.660 58.100 0.020 0.000 1.250 390 Y CB 0.769 39.255 38.460 0.043 0.000 1.245 390 Y HN -0.179 nan 8.280 nan 0.000 0.522 391 L N 2.450 123.693 121.223 0.034 0.000 2.361 391 L HA 0.142 4.481 4.340 -0.001 0.000 0.278 391 L C 0.282 177.111 176.870 -0.069 0.000 1.113 391 L CA -0.056 54.705 54.840 -0.131 0.000 0.849 391 L CB 0.746 42.617 42.059 -0.314 0.000 1.155 391 L HN 0.026 nan 8.230 nan 0.000 0.452 392 K N 4.682 125.056 120.400 -0.044 0.000 2.276 392 K HA 0.324 4.643 4.320 -0.001 0.000 0.285 392 K C -0.390 176.213 176.600 0.006 0.000 1.062 392 K CA -0.666 55.626 56.287 0.009 0.000 0.918 392 K CB 0.660 33.182 32.500 0.037 0.000 1.055 392 K HN 0.404 nan 8.250 nan 0.000 0.477 393 M N 2.900 122.513 119.600 0.023 0.000 2.368 393 M HA 0.184 4.663 4.480 -0.001 0.000 0.311 393 M C 0.478 176.755 176.300 -0.037 0.000 1.168 393 M CA -0.447 54.852 55.300 -0.002 0.000 1.044 393 M CB 0.941 33.550 32.600 0.016 0.000 1.506 393 M HN 0.787 nan 8.290 nan 0.000 0.475 394 N N -1.349 117.194 118.700 -0.261 0.000 2.036 394 N HA 0.194 4.933 4.740 -0.001 0.000 0.224 394 N C 0.640 175.582 175.510 -0.946 0.000 1.381 394 N CA 0.494 53.303 53.050 -0.400 0.000 0.746 394 N CB 0.131 38.521 38.487 -0.161 0.000 1.213 394 N HN 0.924 nan 8.380 nan 0.000 0.524 395 G N 0.517 108.512 108.800 -1.342 0.000 2.195 395 G HA2 -0.354 3.605 3.960 -0.001 0.000 0.246 395 G HA3 -0.354 3.605 3.960 -0.001 0.000 0.246 395 G C 0.795 175.445 174.900 -0.417 0.000 0.984 395 G CA 0.769 45.191 45.100 -1.131 0.000 0.633 395 G HN 0.470 nan 8.290 nan 0.000 0.525 396 K N -0.466 119.751 120.400 -0.306 0.000 2.380 396 K HA 0.280 4.599 4.320 -0.001 0.000 0.200 396 K C 1.425 177.958 176.600 -0.111 0.000 1.201 396 K CA -0.346 55.846 56.287 -0.159 0.000 0.916 396 K CB 0.396 32.821 32.500 -0.124 0.000 1.187 396 K HN 0.261 nan 8.250 nan 0.000 0.498 397 R N 1.457 121.902 120.500 -0.091 0.000 2.811 397 R HA 0.132 4.471 4.340 -0.001 0.000 0.265 397 R C -0.104 176.198 176.300 0.004 0.000 1.026 397 R CA 0.352 56.452 56.100 0.001 0.000 1.142 397 R CB 0.388 30.772 30.300 0.139 0.000 1.027 397 R HN -0.039 nan 8.270 nan 0.000 0.465 398 R N 1.182 121.720 120.500 0.063 0.000 2.795 398 R HA 0.458 4.797 4.340 -0.001 0.000 0.275 398 R C -1.358 175.044 176.300 0.169 0.000 0.981 398 R CA -1.226 54.907 56.100 0.056 0.000 0.917 398 R CB 1.612 31.920 30.300 0.014 0.000 1.202 398 R HN 0.304 nan 8.270 nan 0.000 0.469 399 L N 2.861 124.166 121.223 0.136 0.000 2.404 399 L HA 0.520 4.859 4.340 -0.001 0.000 0.272 399 L C -1.490 175.498 176.870 0.196 0.000 0.980 399 L CA -0.293 54.672 54.840 0.209 0.000 0.836 399 L CB 1.334 43.508 42.059 0.192 0.000 1.238 399 L HN 0.462 nan 8.230 nan 0.000 0.408 400 L N 4.629 125.928 121.223 0.127 0.000 2.342 400 L HA 1.014 5.353 4.340 -0.001 0.000 0.271 400 L C 0.356 177.081 176.870 -0.241 0.000 1.008 400 L CA -0.538 54.296 54.840 -0.010 0.000 0.818 400 L CB 1.757 43.791 42.059 -0.042 0.000 1.296 400 L HN 0.764 nan 8.230 nan 0.000 0.427 401 G N -0.105 108.256 108.800 -0.731 0.000 2.706 401 G HA2 0.314 4.273 3.960 -0.001 0.000 0.307 401 G HA3 0.314 4.273 3.960 -0.001 0.000 0.307 401 G C -1.393 172.981 174.900 -0.876 0.000 1.307 401 G CA -0.259 44.176 45.100 -1.108 0.000 0.790 401 G HN 0.353 nan 8.290 nan 0.000 0.503 402 S N 0.067 115.360 115.700 -0.678 0.000 2.514 402 S HA 0.417 4.886 4.470 -0.001 0.000 0.179 402 S C 0.350 174.866 174.600 -0.140 0.000 1.409 402 S CA -0.665 57.387 58.200 -0.247 0.000 1.138 402 S CB -0.669 62.516 63.200 -0.025 0.000 1.217 402 S HN 0.366 nan 8.310 nan 0.000 0.493 403 F N 1.311 121.276 119.950 0.026 0.000 2.367 403 F HA 0.193 4.719 4.527 -0.001 0.000 0.298 403 F C 2.105 177.911 175.800 0.010 0.000 1.094 403 F CA 0.268 58.271 58.000 0.004 0.000 1.409 403 F CB -0.279 38.728 39.000 0.013 0.000 1.064 403 F HN 0.414 nan 8.300 nan 0.000 0.528 404 N N -1.369 117.441 118.700 0.183 0.000 2.428 404 N HA -0.087 4.652 4.740 -0.001 0.000 0.181 404 N C 1.753 177.349 175.510 0.143 0.000 1.028 404 N CA 0.840 53.962 53.050 0.120 0.000 0.877 404 N CB -0.541 37.989 38.487 0.072 0.000 1.064 404 N HN 0.222 nan 8.380 nan 0.000 0.434 405 H N 0.160 119.265 119.070 0.058 0.000 2.470 405 H HA 0.170 4.725 4.556 -0.001 0.000 0.289 405 H C 0.624 175.981 175.328 0.048 0.000 1.033 405 H CA 1.248 57.337 56.048 0.068 0.000 1.331 405 H CB -0.327 29.493 29.762 0.097 0.000 1.414 405 H HN 0.300 nan 8.280 nan 0.000 0.545 406 G N 0.582 109.374 108.800 -0.013 0.000 2.246 406 G HA2 -0.275 3.684 3.960 -0.001 0.000 0.273 406 G HA3 -0.275 3.684 3.960 -0.001 0.000 0.273 406 G C 0.061 174.883 174.900 -0.130 0.000 1.055 406 G CA 0.665 45.726 45.100 -0.066 0.000 0.851 406 G HN 0.664 nan 8.290 nan 0.000 0.500 407 S N -0.332 115.323 115.700 -0.075 0.000 2.499 407 S HA 0.674 5.143 4.470 -0.001 0.000 0.279 407 S C 1.227 175.805 174.600 -0.036 0.000 1.219 407 S CA -0.534 57.650 58.200 -0.027 0.000 1.062 407 S CB 0.347 63.679 63.200 0.221 0.000 0.978 407 S HN 0.392 nan 8.310 nan 0.000 0.489 408 M N 3.786 123.356 119.600 -0.049 0.000 2.243 408 M HA 0.150 4.630 4.480 -0.001 0.000 0.309 408 M C 1.293 177.523 176.300 -0.117 0.000 1.050 408 M CA 1.242 56.499 55.300 -0.071 0.000 1.139 408 M CB 0.001 32.575 32.600 -0.043 0.000 1.457 408 M HN 1.102 nan 8.290 nan 0.000 0.440 409 A N 0.802 123.525 122.820 -0.163 0.000 3.080 409 A HA -0.179 4.140 4.320 -0.001 0.000 0.254 409 A C 1.061 178.381 177.584 -0.441 0.000 1.277 409 A CA 1.147 53.051 52.037 -0.222 0.000 1.065 409 A CB -2.549 16.351 19.000 -0.168 0.000 1.160 409 A HN 1.023 nan 8.150 nan 0.000 0.886 410 N N 0.077 118.450 118.700 -0.544 0.000 2.376 410 N HA 0.139 4.878 4.740 -0.001 0.000 0.177 410 N C 1.696 176.872 175.510 -0.556 0.000 1.024 410 N CA 1.407 53.898 53.050 -0.933 0.000 0.893 410 N CB -0.639 37.449 38.487 -0.665 0.000 0.980 410 N HN 1.104 nan 8.380 nan 0.000 0.439 411 A N 2.283 124.916 122.820 -0.312 0.000 1.858 411 A HA -0.108 4.212 4.320 -0.001 0.000 0.216 411 A C 2.397 179.909 177.584 -0.121 0.000 1.190 411 A CA 1.717 53.649 52.037 -0.175 0.000 0.617 411 A CB -0.715 18.235 19.000 -0.084 0.000 0.827 411 A HN 0.420 nan 8.150 nan 0.000 0.443 412 M N -0.218 119.335 119.600 -0.078 0.000 2.132 412 M HA -0.041 4.439 4.480 -0.001 0.000 0.263 412 M C -1.049 175.214 176.300 -0.061 0.000 1.065 412 M CA 1.924 57.224 55.300 0.001 0.000 1.122 412 M CB -0.854 31.812 32.600 0.111 0.000 1.365 412 M HN 0.141 nan 8.290 nan 0.000 0.411 413 P HA -0.141 nan 4.420 nan 0.000 0.215 413 P C 1.079 178.280 177.300 -0.166 0.000 1.153 413 P CA 1.483 64.492 63.100 -0.153 0.000 0.853 413 P CB -0.151 31.420 31.700 -0.216 0.000 0.788 414 Q N -0.834 118.847 119.800 -0.198 0.000 2.124 414 Q HA -0.110 4.229 4.340 -0.001 0.000 0.202 414 Q C 2.213 178.145 176.000 -0.113 0.000 0.977 414 Q CA 1.516 57.229 55.803 -0.151 0.000 0.850 414 Q CB -0.676 27.974 28.738 -0.146 0.000 0.901 414 Q HN 0.169 nan 8.270 nan 0.000 0.429 415 A N 0.679 123.453 122.820 -0.077 0.000 1.933 415 A HA -0.187 4.132 4.320 -0.001 0.000 0.218 415 A C 1.992 179.566 177.584 -0.016 0.000 1.175 415 A CA 1.038 53.056 52.037 -0.032 0.000 0.628 415 A CB -0.550 18.454 19.000 0.006 0.000 0.814 415 A HN 0.281 nan 8.150 nan 0.000 0.444 416 L N -0.033 121.178 121.223 -0.019 0.000 2.012 416 L HA -0.112 4.227 4.340 -0.001 0.000 0.210 416 L C 2.598 179.485 176.870 0.028 0.000 1.073 416 L CA 2.194 57.051 54.840 0.029 0.000 0.748 416 L CB -1.196 40.875 42.059 0.019 0.000 0.891 416 L HN 0.372 nan 8.230 nan 0.000 0.431 417 G N -1.832 106.854 108.800 -0.191 0.000 2.402 417 G HA2 -0.183 3.777 3.960 -0.001 0.000 0.216 417 G HA3 -0.183 3.777 3.960 -0.001 0.000 0.216 417 G C 1.633 176.529 174.900 -0.007 0.000 1.162 417 G CA 0.791 45.741 45.100 -0.249 0.000 0.777 417 G HN 0.575 nan 8.290 nan 0.000 0.539 418 A N 0.366 123.166 122.820 -0.034 0.000 1.877 418 A HA -0.122 4.197 4.320 -0.001 0.000 0.216 418 A C 2.323 179.918 177.584 0.019 0.000 1.186 418 A CA 2.297 54.328 52.037 -0.011 0.000 0.620 418 A CB -0.545 18.434 19.000 -0.036 0.000 0.822 418 A HN 0.397 nan 8.150 nan 0.000 0.443 419 Q N -0.279 119.538 119.800 0.028 0.000 2.124 419 Q HA -0.028 4.311 4.340 -0.001 0.000 0.202 419 Q C 1.991 178.030 176.000 0.065 0.000 0.977 419 Q CA 2.067 57.889 55.803 0.033 0.000 0.850 419 Q CB -0.565 28.194 28.738 0.034 0.000 0.901 419 Q HN 0.577 nan 8.270 nan 0.000 0.429 420 A N -1.112 121.790 122.820 0.138 0.000 1.969 420 A HA -0.111 4.208 4.320 -0.001 0.000 0.218 420 A C 2.179 179.829 177.584 0.111 0.000 1.169 420 A CA 1.728 53.853 52.037 0.148 0.000 0.635 420 A CB -0.652 18.518 19.000 0.285 0.000 0.810 420 A HN 0.462 nan 8.150 nan 0.000 0.445 421 T N 0.069 114.696 114.554 0.122 0.000 2.896 421 T HA 0.000 4.350 4.350 -0.001 0.000 0.263 421 T C 0.472 175.195 174.700 0.038 0.000 1.050 421 T CA 0.963 63.114 62.100 0.084 0.000 1.140 421 T CB -0.014 68.902 68.868 0.080 0.000 0.877 421 T HN 0.406 nan 8.240 nan 0.000 0.457 422 E N 1.380 121.594 120.200 0.023 0.000 2.916 422 E HA 0.181 4.530 4.350 -0.001 0.000 0.217 422 E C -2.024 174.572 176.600 -0.007 0.000 1.100 422 E CA -1.821 54.578 56.400 -0.001 0.000 0.891 422 E CB 1.364 31.053 29.700 -0.018 0.000 1.311 422 E HN 0.282 nan 8.360 nan 0.000 0.421 423 P HA -0.126 nan 4.420 nan 0.000 0.222 423 P C 0.747 178.038 177.300 -0.016 0.000 1.147 423 P CA 1.030 64.127 63.100 -0.004 0.000 0.790 423 P CB 0.573 32.271 31.700 -0.003 0.000 0.780 424 E N -0.772 119.415 120.200 -0.021 0.000 2.474 424 E HA 0.034 4.384 4.350 -0.001 0.000 0.194 424 E C 0.884 177.458 176.600 -0.043 0.000 1.041 424 E CA 0.081 56.464 56.400 -0.028 0.000 0.874 424 E CB 0.036 29.721 29.700 -0.025 0.000 0.914 424 E HN 0.211 nan 8.360 nan 0.000 0.498 425 R N 1.222 121.691 120.500 -0.053 0.000 2.486 425 R HA 0.133 4.473 4.340 -0.001 0.000 0.286 425 R C -0.083 176.152 176.300 -0.109 0.000 0.999 425 R CA -0.353 55.698 56.100 -0.081 0.000 0.993 425 R CB 0.896 31.149 30.300 -0.079 0.000 1.084 425 R HN -0.116 nan 8.270 nan 0.000 0.487 426 Q N 2.513 122.217 119.800 -0.160 0.000 2.304 426 Q HA 0.293 4.632 4.340 -0.001 0.000 0.260 426 Q C -1.243 174.598 176.000 -0.265 0.000 0.965 426 Q CA -0.320 55.353 55.803 -0.217 0.000 0.898 426 Q CB 0.927 29.480 28.738 -0.307 0.000 1.196 426 Q HN 0.387 nan 8.270 nan 0.000 0.402 427 V N 4.871 124.659 119.914 -0.210 0.000 2.487 427 V HA 0.387 4.506 4.120 -0.001 0.000 0.298 427 V C -0.685 175.313 176.094 -0.160 0.000 1.028 427 V CA -0.763 61.419 62.300 -0.198 0.000 0.860 427 V CB 1.903 33.668 31.823 -0.097 0.000 0.991 427 V HN 0.593 nan 8.190 nan 0.000 0.427 428 V N 4.032 123.829 119.914 -0.194 0.000 2.407 428 V HA 0.706 4.826 4.120 -0.001 0.000 0.291 428 V C 0.360 176.520 176.094 0.111 0.000 1.018 428 V CA -0.594 61.699 62.300 -0.012 0.000 0.842 428 V CB 1.696 33.527 31.823 0.013 0.000 0.996 428 V HN 0.960 nan 8.190 nan 0.000 0.426 429 A N 6.652 129.548 122.820 0.128 0.000 2.260 429 A HA 0.744 5.063 4.320 -0.001 0.000 0.312 429 A C -0.056 177.631 177.584 0.172 0.000 1.321 429 A CA -0.436 51.675 52.037 0.123 0.000 0.928 429 A CB 0.188 19.243 19.000 0.090 0.000 1.158 429 A HN 0.849 nan 8.150 nan 0.000 0.542 430 M N 3.096 122.810 119.600 0.190 0.000 2.261 430 M HA 0.204 4.683 4.480 -0.001 0.000 0.349 430 M C -0.894 175.470 176.300 0.107 0.000 1.305 430 M CA 0.050 55.493 55.300 0.238 0.000 1.240 430 M CB 0.047 32.769 32.600 0.202 0.000 1.394 430 M HN 0.627 nan 8.290 nan 0.000 0.438 431 C N 1.931 121.321 119.300 0.149 0.000 2.366 431 C HA 0.818 5.277 4.460 -0.001 0.000 0.345 431 C C 1.142 176.175 174.990 0.072 0.000 1.209 431 C CA -0.903 58.148 59.018 0.056 0.000 2.050 431 C CB 1.159 28.912 27.740 0.022 0.000 2.359 431 C HN 0.956 nan 8.230 nan 0.000 0.527 432 G N 1.218 110.026 108.800 0.014 0.000 2.504 432 G HA2 0.340 4.300 3.960 -0.001 0.000 0.288 432 G HA3 0.340 4.300 3.960 -0.001 0.000 0.288 432 G C 0.651 175.546 174.900 -0.008 0.000 1.182 432 G CA -0.085 45.037 45.100 0.037 0.000 0.894 432 G HN 0.837 nan 8.290 nan 0.000 0.521 433 D N 0.190 120.598 120.400 0.013 0.000 2.144 433 D HA -0.083 4.556 4.640 -0.001 0.000 0.200 433 D C 2.156 178.510 176.300 0.090 0.000 0.978 433 D CA 1.217 55.201 54.000 -0.027 0.000 0.833 433 D CB -0.816 40.107 40.800 0.206 0.000 0.961 433 D HN 0.472 nan 8.370 nan 0.000 0.470 434 G N 0.820 109.676 108.800 0.093 0.000 2.421 434 G HA2 -0.143 3.816 3.960 -0.001 0.000 0.216 434 G HA3 -0.143 3.816 3.960 -0.001 0.000 0.216 434 G C 1.762 176.684 174.900 0.037 0.000 1.171 434 G CA 1.082 46.230 45.100 0.081 0.000 0.775 434 G HN 0.470 nan 8.290 nan 0.000 0.543 435 G N 0.380 109.186 108.800 0.010 0.000 2.421 435 G HA2 -0.203 3.756 3.960 -0.001 0.000 0.216 435 G HA3 -0.203 3.756 3.960 -0.001 0.000 0.216 435 G C 1.652 176.533 174.900 -0.032 0.000 1.171 435 G CA 0.962 46.043 45.100 -0.031 0.000 0.775 435 G HN 0.335 nan 8.290 nan 0.000 0.543 436 F N 2.813 122.658 119.950 -0.176 0.000 2.095 436 F HA -0.161 4.365 4.527 -0.001 0.000 0.298 436 F C 3.013 178.733 175.800 -0.134 0.000 1.104 436 F CA 2.105 59.974 58.000 -0.219 0.000 1.232 436 F CB -0.280 38.461 39.000 -0.431 0.000 0.987 436 F HN 0.260 nan 8.300 nan 0.000 0.475 437 S N -0.153 115.535 115.700 -0.021 0.000 2.453 437 S HA -0.212 4.257 4.470 -0.001 0.000 0.231 437 S C 2.120 176.681 174.600 -0.066 0.000 1.005 437 S CA 0.870 59.067 58.200 -0.005 0.000 0.949 437 S CB -0.864 62.484 63.200 0.246 0.000 0.774 437 S HN 0.631 nan 8.310 nan 0.000 0.510 438 M N 0.604 120.164 119.600 -0.067 0.000 2.213 438 M HA 0.163 4.642 4.480 -0.001 0.000 0.263 438 M C 0.585 176.812 176.300 -0.122 0.000 1.062 438 M CA 1.517 56.775 55.300 -0.070 0.000 1.105 438 M CB -0.046 32.518 32.600 -0.059 0.000 1.385 438 M HN 0.316 nan 8.290 nan 0.000 0.417 439 L N -0.174 120.940 121.223 -0.182 0.000 3.209 439 L HA 0.211 4.551 4.340 -0.001 0.000 0.279 439 L C 1.224 177.955 176.870 -0.232 0.000 1.301 439 L CA -0.345 54.380 54.840 -0.192 0.000 1.004 439 L CB 0.205 42.150 42.059 -0.191 0.000 1.402 439 L HN 0.355 nan 8.230 nan 0.000 0.577 440 M N -0.080 119.353 119.600 -0.278 0.000 2.267 440 M HA -0.110 4.369 4.480 -0.001 0.000 0.263 440 M C 2.004 178.213 176.300 -0.152 0.000 1.063 440 M CA 1.951 57.001 55.300 -0.415 0.000 1.090 440 M CB 0.005 32.423 32.600 -0.303 0.000 1.392 440 M HN 0.491 nan 8.290 nan 0.000 0.422 441 G N -0.301 108.472 108.800 -0.044 0.000 2.432 441 G HA2 -0.216 3.743 3.960 -0.001 0.000 0.219 441 G HA3 -0.216 3.743 3.960 -0.001 0.000 0.219 441 G C 1.096 176.038 174.900 0.069 0.000 1.135 441 G CA 0.985 46.111 45.100 0.044 0.000 0.767 441 G HN 0.479 nan 8.290 nan 0.000 0.550 442 D N -0.454 119.972 120.400 0.043 0.000 2.363 442 D HA -0.012 4.627 4.640 -0.001 0.000 0.226 442 D C 1.645 178.015 176.300 0.117 0.000 1.020 442 D CA -0.167 53.877 54.000 0.072 0.000 0.892 442 D CB 0.014 40.849 40.800 0.059 0.000 0.900 442 D HN 0.252 nan 8.370 nan 0.000 0.531 443 F N 1.636 121.556 119.950 -0.050 0.000 2.161 443 F HA -0.162 4.364 4.527 -0.001 0.000 0.300 443 F C 1.980 177.823 175.800 0.073 0.000 1.089 443 F CA 0.999 59.023 58.000 0.040 0.000 1.282 443 F CB -0.357 38.684 39.000 0.069 0.000 1.010 443 F HN -0.081 nan 8.300 nan 0.000 0.485 444 L N -0.961 120.275 121.223 0.021 0.000 2.265 444 L HA -0.206 4.134 4.340 -0.001 0.000 0.215 444 L C 2.386 179.221 176.870 -0.058 0.000 1.117 444 L CA 1.118 55.923 54.840 -0.058 0.000 0.782 444 L CB -0.844 41.233 42.059 0.028 0.000 0.914 444 L HN 0.051 nan 8.230 nan 0.000 0.441 445 S N -0.623 115.073 115.700 -0.006 0.000 2.406 445 S HA -0.103 4.366 4.470 -0.001 0.000 0.228 445 S C 2.064 176.658 174.600 -0.010 0.000 1.020 445 S CA 0.731 58.943 58.200 0.020 0.000 0.965 445 S CB -0.016 63.231 63.200 0.078 0.000 0.798 445 S HN 0.167 nan 8.310 nan 0.000 0.488 446 V N 1.464 121.342 119.914 -0.059 0.000 2.332 446 V HA -0.156 3.963 4.120 -0.001 0.000 0.248 446 V C 2.252 178.281 176.094 -0.108 0.000 1.055 446 V CA 1.511 63.765 62.300 -0.077 0.000 1.038 446 V CB -0.693 31.051 31.823 -0.131 0.000 0.651 446 V HN 0.342 nan 8.190 nan 0.000 0.450 447 V N -0.568 119.243 119.914 -0.171 0.000 2.255 447 V HA -0.303 3.817 4.120 -0.001 0.000 0.243 447 V C 2.379 178.438 176.094 -0.058 0.000 1.038 447 V CA 2.303 64.531 62.300 -0.120 0.000 1.008 447 V CB -0.689 31.051 31.823 -0.138 0.000 0.645 447 V HN 0.571 nan 8.190 nan 0.000 0.449 448 Q N -0.625 119.150 119.800 -0.043 0.000 2.135 448 Q HA -0.221 4.119 4.340 -0.001 0.000 0.204 448 Q C 2.063 178.057 176.000 -0.010 0.000 0.981 448 Q CA 1.977 57.771 55.803 -0.015 0.000 0.856 448 Q CB -0.091 28.649 28.738 0.003 0.000 0.902 448 Q HN 0.582 nan 8.270 nan 0.000 0.425 449 M N -0.130 119.465 119.600 -0.009 0.000 2.556 449 M HA 0.062 4.541 4.480 -0.001 0.000 0.245 449 M C -0.389 175.906 176.300 -0.009 0.000 1.128 449 M CA 0.363 55.658 55.300 -0.008 0.000 1.069 449 M CB 0.638 33.243 32.600 0.010 0.000 1.469 449 M HN -0.026 nan 8.290 nan 0.000 0.494 450 K N 1.352 121.744 120.400 -0.014 0.000 3.150 450 K HA -0.161 4.158 4.320 -0.001 0.000 0.267 450 K C -1.090 175.509 176.600 -0.002 0.000 1.028 450 K CA 0.509 56.788 56.287 -0.013 0.000 0.753 450 K CB -2.499 29.994 32.500 -0.011 0.000 1.288 450 K HN 0.412 nan 8.250 nan 0.000 0.473 451 L N 1.733 122.959 121.223 0.006 0.000 2.265 451 L HA 0.252 4.592 4.340 -0.001 0.000 0.289 451 L C -1.375 175.507 176.870 0.019 0.000 1.033 451 L CA -2.031 52.821 54.840 0.021 0.000 0.814 451 L CB 0.927 43.015 42.059 0.047 0.000 1.203 451 L HN -0.088 nan 8.230 nan 0.000 0.423 452 P HA 0.028 nan 4.420 nan 0.000 0.238 452 P C -0.041 177.280 177.300 0.034 0.000 1.714 452 P CA -0.130 62.983 63.100 0.023 0.000 0.908 452 P CB -0.391 31.317 31.700 0.014 0.000 1.893 453 V N 0.148 120.091 119.914 0.049 0.000 2.694 453 V HA 0.038 4.157 4.120 -0.001 0.000 0.306 453 V C 0.892 177.047 176.094 0.101 0.000 1.054 453 V CA -0.054 62.286 62.300 0.066 0.000 1.161 453 V CB -0.115 31.766 31.823 0.096 0.000 0.916 453 V HN 0.129 nan 8.190 nan 0.000 0.490 454 K N 5.330 125.792 120.400 0.104 0.000 2.268 454 K HA 0.551 4.870 4.320 -0.001 0.000 0.276 454 K C -0.668 176.031 176.600 0.165 0.000 1.080 454 K CA -0.232 56.159 56.287 0.174 0.000 0.910 454 K CB 1.311 33.988 32.500 0.295 0.000 1.163 454 K HN 0.629 nan 8.250 nan 0.000 0.465 455 I N 2.737 123.389 120.570 0.136 0.000 2.315 455 I HA 0.152 4.322 4.170 -0.001 0.000 0.291 455 I C -0.215 175.911 176.117 0.016 0.000 1.006 455 I CA -0.935 60.413 61.300 0.080 0.000 1.265 455 I CB 1.344 39.374 38.000 0.051 0.000 1.387 455 I HN 0.064 nan 8.210 nan 0.000 0.475 456 V N 7.645 127.589 119.914 0.051 0.000 2.350 456 V HA 0.277 4.396 4.120 -0.001 0.000 0.285 456 V C 0.012 176.109 176.094 0.006 0.000 1.014 456 V CA -0.713 61.590 62.300 0.006 0.000 0.831 456 V CB 1.647 33.518 31.823 0.080 0.000 1.000 456 V HN 0.362 nan 8.190 nan 0.000 0.433 457 V N 5.596 125.422 119.914 -0.147 0.000 2.406 457 V HA 0.345 4.465 4.120 -0.001 0.000 0.272 457 V C -0.102 175.969 176.094 -0.039 0.000 1.043 457 V CA -0.310 61.903 62.300 -0.145 0.000 0.915 457 V CB 0.959 32.520 31.823 -0.437 0.000 0.988 457 V HN 0.675 nan 8.190 nan 0.000 0.466 458 F N 4.075 123.998 119.950 -0.044 0.000 2.566 458 F HA 0.234 4.761 4.527 -0.001 0.000 0.349 458 F C 1.073 176.896 175.800 0.039 0.000 1.245 458 F CA -0.377 57.644 58.000 0.034 0.000 1.169 458 F CB -0.269 38.806 39.000 0.124 0.000 1.470 458 F HN 0.443 nan 8.300 nan 0.000 0.634 459 N N 3.173 121.940 118.700 0.110 0.000 2.663 459 N HA -0.028 4.712 4.740 -0.001 0.000 0.250 459 N C 0.401 175.993 175.510 0.137 0.000 1.129 459 N CA -0.045 53.091 53.050 0.142 0.000 0.995 459 N CB -0.123 38.454 38.487 0.149 0.000 1.324 459 N HN 0.411 nan 8.380 nan 0.000 0.512 460 N N 0.607 119.407 118.700 0.167 0.000 2.235 460 N HA 0.045 4.784 4.740 -0.001 0.000 0.209 460 N C -0.053 175.529 175.510 0.120 0.000 1.122 460 N CA -0.352 52.784 53.050 0.143 0.000 0.845 460 N CB 0.240 38.836 38.487 0.180 0.000 1.004 460 N HN 0.132 nan 8.380 nan 0.000 0.499 461 S N -1.478 114.302 115.700 0.133 0.000 3.445 461 S HA -0.149 4.320 4.470 -0.001 0.000 0.319 461 S C -0.469 174.192 174.600 0.102 0.000 1.209 461 S CA 0.925 59.189 58.200 0.106 0.000 0.934 461 S CB -1.340 61.893 63.200 0.055 0.000 0.999 461 S HN 0.536 nan 8.310 nan 0.000 0.582 462 V N 0.202 120.187 119.914 0.117 0.000 3.242 462 V HA 0.467 4.586 4.120 -0.001 0.000 0.298 462 V C -1.010 175.148 176.094 0.106 0.000 1.352 462 V CA -1.026 61.334 62.300 0.101 0.000 1.052 462 V CB 2.037 33.913 31.823 0.089 0.000 1.101 462 V HN 0.192 nan 8.190 nan 0.000 0.446 463 L N 4.340 125.615 121.223 0.087 0.000 2.423 463 L HA 0.350 4.689 4.340 -0.001 0.000 0.249 463 L C 1.648 178.569 176.870 0.085 0.000 1.276 463 L CA 0.589 55.478 54.840 0.082 0.000 1.199 463 L CB 0.283 42.381 42.059 0.064 0.000 1.407 463 L HN 0.912 nan 8.230 nan 0.000 0.410 464 G N 0.500 109.366 108.800 0.109 0.000 2.421 464 G HA2 -0.257 3.703 3.960 -0.001 0.000 0.217 464 G HA3 -0.257 3.703 3.960 -0.001 0.000 0.217 464 G C 1.248 176.213 174.900 0.109 0.000 1.143 464 G CA 0.272 45.440 45.100 0.114 0.000 0.784 464 G HN 0.471 nan 8.290 nan 0.000 0.541 465 F N 1.177 121.114 119.950 -0.021 0.000 2.074 465 F HA 0.444 4.970 4.527 -0.001 0.000 0.293 465 F C 1.128 176.904 175.800 -0.041 0.000 1.116 465 F CA 1.286 59.252 58.000 -0.057 0.000 1.212 465 F CB -0.100 38.838 39.000 -0.102 0.000 0.998 465 F HN 0.208 nan 8.300 nan 0.000 0.471 480 T N -0.606 113.967 114.554 0.031 0.000 3.042 480 T HA 0.195 4.544 4.350 -0.001 0.000 0.245 480 T C 0.680 175.410 174.700 0.050 0.000 1.029 480 T CA 0.477 62.599 62.100 0.037 0.000 1.120 480 T CB -0.019 68.866 68.868 0.029 0.000 0.917 480 T HN 0.183 nan 8.240 nan 0.000 0.467 481 E N 1.748 121.977 120.200 0.048 0.000 2.414 481 E HA 0.187 4.536 4.350 -0.001 0.000 0.263 481 E C -0.559 176.084 176.600 0.072 0.000 1.000 481 E CA 0.173 56.607 56.400 0.056 0.000 0.914 481 E CB 0.889 30.619 29.700 0.049 0.000 0.948 481 E HN 0.510 nan 8.360 nan 0.000 0.444 482 L N 2.652 123.925 121.223 0.084 0.000 2.317 482 L HA 0.219 4.558 4.340 -0.001 0.000 0.281 482 L C 0.812 177.747 176.870 0.108 0.000 1.024 482 L CA -0.744 54.161 54.840 0.109 0.000 0.810 482 L CB 1.338 43.476 42.059 0.131 0.000 1.240 482 L HN 0.509 nan 8.230 nan 0.000 0.427 483 H N 2.524 121.611 119.070 0.028 0.000 3.016 483 H HA -0.069 4.486 4.556 -0.001 0.000 0.345 483 H C -0.785 174.536 175.328 -0.010 0.000 1.066 483 H CA 0.074 56.126 56.048 0.006 0.000 1.390 483 H CB 0.950 30.709 29.762 -0.004 0.000 1.344 483 H HN 0.511 nan 8.280 nan 0.000 0.605 484 D N 3.845 123.920 120.400 -0.542 0.000 2.385 484 D HA 0.060 4.700 4.640 -0.001 0.000 0.260 484 D C -0.348 175.784 176.300 -0.279 0.000 1.326 484 D CA 0.355 54.153 54.000 -0.336 0.000 1.023 484 D CB 0.065 40.676 40.800 -0.315 0.000 1.083 484 D HN 0.352 nan 8.370 nan 0.000 0.517 485 T N 2.135 116.546 114.554 -0.239 0.000 2.829 485 T HA 0.203 4.552 4.350 -0.001 0.000 0.282 485 T C 0.463 174.879 174.700 -0.473 0.000 0.990 485 T CA -0.881 60.974 62.100 -0.408 0.000 1.028 485 T CB 1.081 69.512 68.868 -0.728 0.000 0.951 485 T HN 0.092 nan 8.240 nan 0.000 0.460 486 N N 2.285 120.758 118.700 -0.379 0.000 2.558 486 N HA 0.181 4.921 4.740 -0.001 0.000 0.233 486 N C 0.047 175.390 175.510 -0.278 0.000 1.038 486 N CA -0.595 52.304 53.050 -0.252 0.000 0.934 486 N CB 0.042 38.453 38.487 -0.127 0.000 1.175 486 N HN 0.436 nan 8.380 nan 0.000 0.512 487 F N 1.843 121.754 119.950 -0.066 0.000 2.325 487 F HA 0.063 4.589 4.527 -0.001 0.000 0.299 487 F C 2.280 178.007 175.800 -0.122 0.000 1.090 487 F CA 0.664 58.595 58.000 -0.116 0.000 1.392 487 F CB -0.265 38.580 39.000 -0.259 0.000 1.053 487 F HN 0.581 nan 8.300 nan 0.000 0.521 488 A N 0.153 123.006 122.820 0.056 0.000 1.902 488 A HA -0.182 4.138 4.320 -0.001 0.000 0.217 488 A C 2.404 180.013 177.584 0.042 0.000 1.181 488 A CA 1.380 53.434 52.037 0.028 0.000 0.623 488 A CB -0.623 18.378 19.000 0.002 0.000 0.818 488 A HN 0.240 nan 8.150 nan 0.000 0.443 489 R N -0.656 119.855 120.500 0.018 0.000 2.081 489 R HA -0.067 4.272 4.340 -0.001 0.000 0.235 489 R C 1.992 178.329 176.300 0.060 0.000 1.131 489 R CA 1.584 57.698 56.100 0.024 0.000 0.960 489 R CB -0.403 29.893 30.300 -0.008 0.000 0.856 489 R HN 0.616 nan 8.270 nan 0.000 0.436 490 I N 0.216 120.828 120.570 0.070 0.000 2.252 490 I HA -0.248 3.921 4.170 -0.001 0.000 0.245 490 I C 2.549 178.804 176.117 0.230 0.000 1.102 490 I CA 1.145 62.525 61.300 0.133 0.000 1.385 490 I CB -0.340 37.751 38.000 0.152 0.000 1.064 490 I HN 0.184 nan 8.210 nan 0.000 0.414 491 A N 0.489 123.450 122.820 0.234 0.000 1.883 491 A HA -0.226 4.093 4.320 -0.001 0.000 0.217 491 A C 2.246 180.000 177.584 0.284 0.000 1.186 491 A CA 1.632 53.917 52.037 0.414 0.000 0.624 491 A CB -0.529 18.662 19.000 0.318 0.000 0.822 491 A HN 0.355 nan 8.150 nan 0.000 0.444 492 E N -0.191 120.108 120.200 0.166 0.000 2.118 492 E HA -0.184 4.166 4.350 -0.001 0.000 0.195 492 E C 2.275 178.940 176.600 0.107 0.000 0.992 492 E CA 1.274 57.741 56.400 0.111 0.000 0.804 492 E CB -0.500 29.242 29.700 0.070 0.000 0.741 492 E HN 0.604 nan 8.360 nan 0.000 0.458 493 A N 0.401 123.293 122.820 0.119 0.000 2.015 493 A HA -0.132 4.187 4.320 -0.001 0.000 0.219 493 A C 2.327 179.980 177.584 0.114 0.000 1.163 493 A CA 0.930 53.028 52.037 0.101 0.000 0.646 493 A CB -0.433 18.625 19.000 0.096 0.000 0.806 493 A HN 0.307 nan 8.150 nan 0.000 0.448 494 C N -1.301 118.099 119.300 0.166 0.000 2.626 494 C HA 0.442 4.901 4.460 -0.001 0.000 0.266 494 C C 1.967 176.994 174.990 0.062 0.000 1.317 494 C CA 0.226 59.327 59.018 0.137 0.000 1.716 494 C CB -1.080 26.797 27.740 0.229 0.000 1.819 494 C HN 1.031 nan 8.230 nan 0.000 0.578 495 G N 0.922 109.764 108.800 0.071 0.000 2.141 495 G HA2 -0.236 3.723 3.960 -0.001 0.000 0.242 495 G HA3 -0.236 3.723 3.960 -0.001 0.000 0.242 495 G C -0.130 174.787 174.900 0.027 0.000 0.982 495 G CA -0.081 45.041 45.100 0.037 0.000 0.662 495 G HN 0.535 nan 8.290 nan 0.000 0.527 496 I N 1.455 122.062 120.570 0.061 0.000 2.460 496 I HA 0.341 4.510 4.170 -0.001 0.000 0.298 496 I C 0.920 177.105 176.117 0.113 0.000 0.989 496 I CA -0.821 60.524 61.300 0.074 0.000 1.173 496 I CB 1.633 39.688 38.000 0.091 0.000 1.338 496 I HN 0.014 nan 8.210 nan 0.000 0.456 497 T N 4.314 118.917 114.554 0.081 0.000 2.871 497 T HA 0.233 4.582 4.350 -0.001 0.000 0.296 497 T C 0.303 175.053 174.700 0.082 0.000 0.998 497 T CA -0.215 61.925 62.100 0.066 0.000 1.162 497 T CB 0.208 69.099 68.868 0.039 0.000 0.947 497 T HN 0.816 nan 8.240 nan 0.000 0.536 498 G N 2.475 111.312 108.800 0.062 0.000 2.530 498 G HA2 0.655 4.614 3.960 -0.001 0.000 0.316 498 G HA3 0.655 4.614 3.960 -0.001 0.000 0.316 498 G C -0.786 174.117 174.900 0.005 0.000 1.298 498 G CA -0.757 44.369 45.100 0.045 0.000 0.948 498 G HN 0.748 nan 8.290 nan 0.000 0.486 499 I N 1.649 122.206 120.570 -0.021 0.000 2.410 499 I HA 0.365 4.535 4.170 -0.001 0.000 0.286 499 I C -0.055 176.030 176.117 -0.053 0.000 1.009 499 I CA -0.992 60.281 61.300 -0.044 0.000 1.111 499 I CB 2.116 40.073 38.000 -0.071 0.000 1.262 499 I HN 0.330 nan 8.210 nan 0.000 0.443 500 R N 5.931 126.403 120.500 -0.046 0.000 2.221 500 R HA 0.565 4.905 4.340 -0.001 0.000 0.327 500 R C -1.550 174.714 176.300 -0.060 0.000 1.033 500 R CA -0.270 55.802 56.100 -0.047 0.000 0.887 500 R CB 0.968 31.246 30.300 -0.036 0.000 1.057 500 R HN 0.446 nan 8.270 nan 0.000 0.455 501 V N 5.569 125.440 119.914 -0.071 0.000 2.409 501 V HA 0.334 4.453 4.120 -0.001 0.000 0.291 501 V C 0.259 176.309 176.094 -0.072 0.000 1.020 501 V CA -0.408 61.844 62.300 -0.079 0.000 0.848 501 V CB 1.546 33.306 31.823 -0.105 0.000 0.990 501 V HN 0.960 nan 8.190 nan 0.000 0.430 502 E N 2.291 122.453 120.200 -0.064 0.000 2.536 502 E HA 0.223 4.572 4.350 -0.001 0.000 0.220 502 E C -0.070 176.491 176.600 -0.065 0.000 0.876 502 E CA -0.078 56.285 56.400 -0.061 0.000 1.190 502 E CB 1.023 30.692 29.700 -0.053 0.000 1.191 502 E HN 0.557 nan 8.360 nan 0.000 0.557 503 K N 0.485 120.849 120.400 -0.061 0.000 2.182 503 K HA 0.475 4.794 4.320 -0.001 0.000 0.262 503 K C 0.443 177.013 176.600 -0.050 0.000 0.957 503 K CA -0.191 56.058 56.287 -0.063 0.000 0.842 503 K CB 1.786 34.252 32.500 -0.056 0.000 1.099 503 K HN -0.077 nan 8.250 nan 0.000 0.438 504 A N 1.571 124.352 122.820 -0.065 0.000 1.978 504 A HA -0.191 4.128 4.320 -0.001 0.000 0.220 504 A C 1.993 179.606 177.584 0.048 0.000 1.170 504 A CA 2.260 54.288 52.037 -0.014 0.000 0.636 504 A CB -0.659 18.234 19.000 -0.177 0.000 0.810 504 A HN 0.797 nan 8.150 nan 0.000 0.448 505 S N -0.259 115.433 115.700 -0.014 0.000 2.474 505 S HA -0.112 4.357 4.470 -0.001 0.000 0.235 505 S C 1.333 175.937 174.600 0.006 0.000 0.997 505 S CA 1.215 59.416 58.200 0.002 0.000 0.949 505 S CB -0.340 62.845 63.200 -0.026 0.000 0.766 505 S HN 0.710 nan 8.310 nan 0.000 0.517 506 E N 0.660 120.853 120.200 -0.013 0.000 2.442 506 E HA 0.096 4.445 4.350 -0.001 0.000 0.195 506 E C 1.695 178.261 176.600 -0.056 0.000 1.030 506 E CA 0.257 56.633 56.400 -0.040 0.000 0.869 506 E CB -0.056 29.612 29.700 -0.053 0.000 0.857 506 E HN 0.364 nan 8.360 nan 0.000 0.505 507 V N 1.958 121.861 119.914 -0.019 0.000 2.261 507 V HA -0.280 3.840 4.120 -0.001 0.000 0.246 507 V C 1.676 177.700 176.094 -0.117 0.000 1.047 507 V CA 2.101 64.361 62.300 -0.066 0.000 1.015 507 V CB -0.353 31.451 31.823 -0.032 0.000 0.642 507 V HN 0.208 nan 8.190 nan 0.000 0.446 508 D N -0.035 120.337 120.400 -0.046 0.000 2.092 508 D HA -0.218 4.421 4.640 -0.001 0.000 0.193 508 D C 2.160 178.239 176.300 -0.369 0.000 0.994 508 D CA 1.864 55.797 54.000 -0.112 0.000 0.828 508 D CB -0.315 40.540 40.800 0.091 0.000 0.963 508 D HN 0.744 nan 8.370 nan 0.000 0.450 509 E N 0.841 120.903 120.200 -0.229 0.000 2.150 509 E HA -0.059 4.290 4.350 -0.001 0.000 0.193 509 E C 1.837 178.277 176.600 -0.267 0.000 0.985 509 E CA 1.468 57.722 56.400 -0.243 0.000 0.814 509 E CB -0.285 29.330 29.700 -0.142 0.000 0.752 509 E HN 0.156 nan 8.360 nan 0.000 0.466 510 A N 1.136 123.812 122.820 -0.240 0.000 1.898 510 A HA -0.057 4.262 4.320 -0.001 0.000 0.216 510 A C 2.310 179.678 177.584 -0.359 0.000 1.181 510 A CA 1.413 53.306 52.037 -0.240 0.000 0.620 510 A CB -0.714 18.172 19.000 -0.190 0.000 0.819 510 A HN 0.340 nan 8.150 nan 0.000 0.442 511 L N -0.975 119.967 121.223 -0.467 0.000 2.056 511 L HA -0.231 4.108 4.340 -0.001 0.000 0.207 511 L C 2.900 179.217 176.870 -0.922 0.000 1.078 511 L CA 1.490 55.868 54.840 -0.769 0.000 0.749 511 L CB -0.636 41.060 42.059 -0.605 0.000 0.901 511 L HN 0.480 nan 8.230 nan 0.000 0.433 512 Q N -0.494 118.888 119.800 -0.698 0.000 2.084 512 Q HA -0.225 4.114 4.340 -0.001 0.000 0.202 512 Q C 2.373 178.208 176.000 -0.275 0.000 0.978 512 Q CA 1.329 56.840 55.803 -0.486 0.000 0.844 512 Q CB -0.131 28.302 28.738 -0.508 0.000 0.898 512 Q HN 0.351 nan 8.270 nan 0.000 0.426 513 R N 0.320 120.664 120.500 -0.261 0.000 2.075 513 R HA -0.114 4.226 4.340 -0.001 0.000 0.232 513 R C 2.190 178.417 176.300 -0.122 0.000 1.126 513 R CA 1.154 57.164 56.100 -0.150 0.000 0.963 513 R CB -0.240 29.984 30.300 -0.127 0.000 0.858 513 R HN 0.234 nan 8.270 nan 0.000 0.435 514 A N 0.717 123.415 122.820 -0.204 0.000 1.908 514 A HA -0.178 4.141 4.320 -0.001 0.000 0.218 514 A C 1.877 179.512 177.584 0.085 0.000 1.181 514 A CA 1.388 53.357 52.037 -0.113 0.000 0.627 514 A CB -0.664 18.205 19.000 -0.217 0.000 0.818 514 A HN 0.338 nan 8.150 nan 0.000 0.445 515 F N 0.702 120.629 119.950 -0.038 0.000 2.259 515 F HA -0.029 4.498 4.527 -0.001 0.000 0.298 515 F C 2.668 178.452 175.800 -0.026 0.000 1.088 515 F CA 0.829 58.814 58.000 -0.025 0.000 1.358 515 F CB -1.059 37.933 39.000 -0.013 0.000 1.040 515 F HN 0.158 nan 8.300 nan 0.000 0.505 516 S N -0.138 115.644 115.700 0.136 0.000 2.414 516 S HA 0.057 4.527 4.470 -0.001 0.000 0.227 516 S C 1.028 175.655 174.600 0.045 0.000 1.022 516 S CA 0.034 58.274 58.200 0.067 0.000 0.958 516 S CB -0.285 62.929 63.200 0.023 0.000 0.797 516 S HN 0.088 nan 8.310 nan 0.000 0.493 517 I N 3.053 123.647 120.570 0.040 0.000 2.752 517 I HA -0.070 4.100 4.170 -0.001 0.000 0.289 517 I C 0.388 176.526 176.117 0.034 0.000 1.197 517 I CA 0.079 61.396 61.300 0.028 0.000 1.432 517 I CB 0.280 38.294 38.000 0.023 0.000 1.359 517 I HN 0.011 nan 8.210 nan 0.000 0.571 518 D N 6.046 126.459 120.400 0.021 0.000 2.688 518 D HA 0.385 5.024 4.640 -0.001 0.000 0.228 518 D C 0.112 176.421 176.300 0.016 0.000 1.116 518 D CA 0.451 54.461 54.000 0.017 0.000 1.023 518 D CB -0.268 40.538 40.800 0.010 0.000 1.100 518 D HN 0.716 nan 8.370 nan 0.000 0.487 519 G N 1.390 110.204 108.800 0.024 0.000 2.315 519 G HA2 0.205 4.164 3.960 -0.001 0.000 0.294 519 G HA3 0.205 4.164 3.960 -0.001 0.000 0.294 519 G C -3.157 171.765 174.900 0.037 0.000 1.300 519 G CA -0.998 44.115 45.100 0.022 0.000 0.843 519 G HN 0.028 nan 8.290 nan 0.000 0.527 520 P HA 0.568 nan 4.420 nan 0.000 0.274 520 P C -0.674 176.676 177.300 0.083 0.000 1.231 520 P CA -0.320 62.815 63.100 0.058 0.000 0.790 520 P CB 1.835 33.553 31.700 0.030 0.000 0.951 521 V N 2.893 122.877 119.914 0.117 0.000 2.932 521 V HA 0.358 4.478 4.120 -0.001 0.000 0.307 521 V C -0.256 175.915 176.094 0.129 0.000 1.147 521 V CA -0.755 61.611 62.300 0.110 0.000 0.951 521 V CB 2.279 34.144 31.823 0.071 0.000 1.031 521 V HN 0.450 nan 8.190 nan 0.000 0.426 522 L N 4.481 125.773 121.223 0.114 0.000 2.305 522 L HA 0.739 5.079 4.340 -0.001 0.000 0.284 522 L C -0.968 175.877 176.870 -0.042 0.000 1.013 522 L CA -0.438 54.414 54.840 0.021 0.000 0.819 522 L CB 1.576 43.618 42.059 -0.028 0.000 1.227 522 L HN 0.526 nan 8.230 nan 0.000 0.417 523 V N 3.723 123.588 119.914 -0.081 0.000 2.328 523 V HA 0.262 4.382 4.120 -0.001 0.000 0.278 523 V C -0.497 175.514 176.094 -0.138 0.000 1.021 523 V CA -0.529 61.706 62.300 -0.108 0.000 0.838 523 V CB 1.269 33.013 31.823 -0.131 0.000 0.999 523 V HN 0.650 nan 8.190 nan 0.000 0.447 524 D N 4.799 125.135 120.400 -0.108 0.000 2.428 524 D HA 0.339 4.978 4.640 -0.001 0.000 0.221 524 D C -0.532 175.718 176.300 -0.084 0.000 1.123 524 D CA -0.094 53.859 54.000 -0.079 0.000 0.869 524 D CB 1.333 42.136 40.800 0.005 0.000 1.032 524 D HN 0.281 nan 8.370 nan 0.000 0.506 525 V N 4.549 124.383 119.914 -0.133 0.000 2.328 525 V HA 0.221 4.340 4.120 -0.001 0.000 0.278 525 V C 0.480 176.511 176.094 -0.104 0.000 1.021 525 V CA -1.023 61.184 62.300 -0.155 0.000 0.838 525 V CB 1.515 33.172 31.823 -0.277 0.000 0.999 525 V HN 0.290 nan 8.190 nan 0.000 0.447 526 V N 6.820 126.695 119.914 -0.064 0.000 2.446 526 V HA 0.185 4.304 4.120 -0.001 0.000 0.276 526 V C 0.323 176.391 176.094 -0.043 0.000 1.030 526 V CA 0.112 62.394 62.300 -0.030 0.000 1.033 526 V CB 1.007 32.812 31.823 -0.030 0.000 0.993 526 V HN 0.757 nan 8.190 nan 0.000 0.477 527 V N 3.072 122.984 119.914 -0.004 0.000 2.815 527 V HA 0.982 5.101 4.120 -0.001 0.000 0.314 527 V C 0.323 176.447 176.094 0.050 0.000 1.064 527 V CA -0.888 61.416 62.300 0.007 0.000 0.952 527 V CB 1.602 33.452 31.823 0.044 0.000 1.020 527 V HN 0.896 nan 8.190 nan 0.000 0.439 528 A N 3.689 126.534 122.820 0.040 0.000 2.366 528 A HA 0.493 4.812 4.320 -0.001 0.000 0.249 528 A C 0.549 178.213 177.584 0.133 0.000 1.084 528 A CA -0.544 51.536 52.037 0.071 0.000 0.794 528 A CB 0.092 19.136 19.000 0.073 0.000 1.034 528 A HN 0.927 nan 8.150 nan 0.000 0.491 529 K N 1.752 122.229 120.400 0.127 0.000 2.237 529 K HA 0.408 4.727 4.320 -0.001 0.000 0.270 529 K C -0.470 176.232 176.600 0.170 0.000 1.015 529 K CA -0.058 56.323 56.287 0.156 0.000 0.949 529 K CB 0.710 33.279 32.500 0.115 0.000 0.976 529 K HN 0.684 nan 8.250 nan 0.000 0.472 530 E N 1.411 121.746 120.200 0.225 0.000 2.416 530 E HA 0.234 4.583 4.350 -0.001 0.000 0.273 530 E C -0.464 176.266 176.600 0.217 0.000 0.935 530 E CA -0.792 55.746 56.400 0.231 0.000 0.784 530 E CB 1.875 31.765 29.700 0.317 0.000 1.301 530 E HN 0.427 nan 8.360 nan 0.000 0.454 531 E N 1.035 121.340 120.200 0.175 0.000 2.349 531 E HA 0.223 4.573 4.350 -0.001 0.000 0.262 531 E C 0.963 177.682 176.600 0.199 0.000 1.088 531 E CA -0.272 56.210 56.400 0.138 0.000 0.899 531 E CB 1.346 31.095 29.700 0.082 0.000 1.044 531 E HN 0.361 nan 8.360 nan 0.000 0.420 532 L N 0.476 121.769 121.223 0.117 0.000 2.185 532 L HA 0.100 4.440 4.340 -0.001 0.000 0.198 532 L C 1.260 178.186 176.870 0.094 0.000 1.079 532 L CA 0.379 55.282 54.840 0.106 0.000 0.780 532 L CB -0.312 41.772 42.059 0.043 0.000 0.955 532 L HN 0.506 nan 8.230 nan 0.000 0.462 533 A N 0.648 123.497 122.820 0.049 0.000 2.455 533 A HA 0.318 4.637 4.320 -0.001 0.000 0.244 533 A C -0.222 177.390 177.584 0.048 0.000 1.099 533 A CA 0.421 52.476 52.037 0.031 0.000 0.786 533 A CB -0.051 18.950 19.000 0.001 0.000 1.051 533 A HN 0.287 nan 8.150 nan 0.000 0.508 534 I N 1.399 121.990 120.570 0.036 0.000 2.534 534 I HA 0.261 4.430 4.170 -0.001 0.000 0.286 534 I C -1.903 174.228 176.117 0.024 0.000 1.094 534 I CA -1.342 59.980 61.300 0.036 0.000 1.055 534 I CB 1.564 39.589 38.000 0.042 0.000 1.225 534 I HN 0.634 nan 8.210 nan 0.000 0.435 535 P HA 0.000 nan 4.420 nan 0.000 0.216 535 P CA 0.000 63.109 63.100 0.014 0.000 0.800 535 P CB 0.000 31.703 31.700 0.005 0.000 0.726