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 2yqc_1_A DATA FIRST_RESID 3 DATA SEQUENCE VKSQQQIIDS FKQANQDQLF QYYDSLTIDQ QQEFIDQLST IEEPAKLIST DATA SEQUENCE VEQAIQFSQX XXXSRNFTQL PNEQTASTLD LSKDILQNWT ELGLKAIGNG DATA SEQUENCE EVAVLLMAGG QGTRLGSSAP KGCFNIELPS QKSLFQIQAE KILKIEQLAQ DATA SEQUENCE QYLKSTKKPI INWYIMTSGP TRNATESFFI ENNYFGLNSH QVIFFNQGTL DATA SEQUENCE PCFNLQGNKI LLELKNSICQ SPDGNGGLYK ALKDNGILDD LNSKGIKHIH DATA SEQUENCE MYCVDNCLVK VADPIFIGFA IAKKFDLATK VVRKRDANES VGLIVLDQDN DATA SEQUENCE QKPCVIEYSE ISQELANKKD PQDSSKLFLR AANIVNHYYS VEFLNKMIPK DATA SEQUENCE WISSQKYLPF HIAKKKIPSL NLENGEFYKP TEPNGIKLEQ FIFDVFPSVE DATA SEQUENCE LNKFGCLEVD RLDEFSPLKN ADGAKNDTPT TCRNHYLERS SKWVIQNGGV DATA SEQUENCE IDNQGLVEVD SKTSYGGEGL EFVNGKHFKN GDII 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 3 V HA 0.000 nan 4.120 nan 0.000 0.244 3 V C 0.000 176.107 176.094 0.022 0.000 1.182 3 V CA 0.000 62.314 62.300 0.024 0.000 1.235 3 V CB 0.000 31.837 31.823 0.023 0.000 1.184 4 K N 1.757 122.173 120.400 0.027 0.000 2.118 4 K HA 0.732 5.103 4.320 0.085 0.000 0.254 4 K C 0.392 177.006 176.600 0.023 0.000 0.961 4 K CA -0.420 55.881 56.287 0.023 0.000 0.876 4 K CB 2.015 34.531 32.500 0.027 0.000 1.077 4 K HN 0.898 nan 8.250 nan 0.000 0.440 5 S N 0.137 115.847 115.700 0.016 0.000 2.634 5 S HA -0.045 4.476 4.470 0.085 0.000 0.261 5 S C 1.277 175.885 174.600 0.013 0.000 1.271 5 S CA -0.397 57.812 58.200 0.015 0.000 0.985 5 S CB 1.265 64.470 63.200 0.009 0.000 0.968 5 S HN 0.803 nan 8.310 nan 0.000 0.568 6 Q N -0.039 119.773 119.800 0.019 0.000 2.077 6 Q HA -0.283 4.108 4.340 0.085 0.000 0.206 6 Q C 2.102 178.080 176.000 -0.037 0.000 0.989 6 Q CA 2.079 57.893 55.803 0.018 0.000 0.853 6 Q CB -0.365 28.409 28.738 0.059 0.000 0.907 6 Q HN 0.814 nan 8.270 nan 0.000 0.418 7 Q N 0.303 120.081 119.800 -0.037 0.000 2.119 7 Q HA -0.153 4.238 4.340 0.085 0.000 0.201 7 Q C 1.893 177.850 176.000 -0.072 0.000 0.972 7 Q CA 1.999 57.757 55.803 -0.075 0.000 0.847 7 Q CB 0.010 28.717 28.738 -0.051 0.000 0.903 7 Q HN 0.522 nan 8.270 nan 0.000 0.433 8 Q N -0.739 119.040 119.800 -0.035 0.000 2.167 8 Q HA -0.110 4.281 4.340 0.085 0.000 0.202 8 Q C 1.761 177.761 176.000 -0.001 0.000 0.970 8 Q CA 0.946 56.737 55.803 -0.021 0.000 0.855 8 Q CB 0.007 28.741 28.738 -0.006 0.000 0.911 8 Q HN 0.373 nan 8.270 nan 0.000 0.438 9 I N 0.691 121.270 120.570 0.014 0.000 2.163 9 I HA -0.238 3.983 4.170 0.085 0.000 0.240 9 I C 2.286 178.475 176.117 0.119 0.000 1.081 9 I CA 1.344 62.701 61.300 0.094 0.000 1.353 9 I CB -0.862 37.176 38.000 0.063 0.000 1.054 9 I HN 0.248 nan 8.210 nan 0.000 0.407 10 I N 0.917 121.424 120.570 -0.106 0.000 2.151 10 I HA -0.341 3.879 4.170 0.085 0.000 0.243 10 I C 2.139 178.125 176.117 -0.218 0.000 1.080 10 I CA 1.589 62.648 61.300 -0.401 0.000 1.339 10 I CB -0.478 37.093 38.000 -0.716 0.000 1.039 10 I HN 0.205 nan 8.210 nan 0.000 0.409 11 D N 0.390 120.705 120.400 -0.142 0.000 2.144 11 D HA -0.155 4.535 4.640 0.085 0.000 0.199 11 D C 2.387 178.674 176.300 -0.022 0.000 0.984 11 D CA 1.770 55.720 54.000 -0.084 0.000 0.834 11 D CB -0.241 40.517 40.800 -0.070 0.000 0.955 11 D HN 0.393 nan 8.370 nan 0.000 0.465 12 S N -0.459 115.243 115.700 0.004 0.000 2.383 12 S HA -0.122 4.399 4.470 0.085 0.000 0.227 12 S C 2.007 176.541 174.600 -0.110 0.000 1.026 12 S CA 0.515 58.679 58.200 -0.060 0.000 0.981 12 S CB -0.679 62.461 63.200 -0.101 0.000 0.818 12 S HN 0.132 nan 8.310 nan 0.000 0.472 13 F N 1.959 121.936 119.950 0.045 0.000 2.234 13 F HA 0.289 4.867 4.527 0.085 0.000 0.296 13 F C 2.555 178.432 175.800 0.129 0.000 1.089 13 F CA 0.744 58.809 58.000 0.109 0.000 1.343 13 F CB -0.190 38.932 39.000 0.202 0.000 1.040 13 F HN 0.115 nan 8.300 nan 0.000 0.498 14 K N 0.059 120.617 120.400 0.264 0.000 2.057 14 K HA -0.200 4.171 4.320 0.085 0.000 0.207 14 K C 1.963 178.607 176.600 0.073 0.000 1.049 14 K CA 1.485 57.866 56.287 0.157 0.000 0.931 14 K CB -0.315 32.209 32.500 0.041 0.000 0.714 14 K HN 0.336 nan 8.250 nan 0.000 0.440 15 Q N -0.186 119.630 119.800 0.027 0.000 2.226 15 Q HA -0.082 4.309 4.340 0.085 0.000 0.204 15 Q C 1.466 177.465 176.000 -0.003 0.000 0.975 15 Q CA 1.179 56.982 55.803 -0.000 0.000 0.866 15 Q CB 0.027 28.751 28.738 -0.024 0.000 0.915 15 Q HN 0.269 nan 8.270 nan 0.000 0.440 16 A N 0.870 123.685 122.820 -0.009 0.000 2.327 16 A HA 0.072 4.443 4.320 0.085 0.000 0.228 16 A C -0.248 177.360 177.584 0.041 0.000 1.275 16 A CA 0.018 52.047 52.037 -0.014 0.000 0.875 16 A CB -0.532 18.412 19.000 -0.094 0.000 0.925 16 A HN 0.580 nan 8.150 nan 0.000 0.493 17 N N -0.546 118.189 118.700 0.058 0.000 2.735 17 N HA -0.154 4.637 4.740 0.085 0.000 0.248 17 N C -0.222 175.343 175.510 0.092 0.000 1.083 17 N CA 0.827 53.918 53.050 0.070 0.000 0.703 17 N CB -0.935 37.583 38.487 0.051 0.000 1.005 17 N HN 0.490 nan 8.380 nan 0.000 0.550 18 Q N -0.148 119.735 119.800 0.138 0.000 2.341 18 Q HA 0.122 4.513 4.340 0.085 0.000 0.325 18 Q C -0.031 176.052 176.000 0.139 0.000 0.920 18 Q CA 0.077 55.962 55.803 0.137 0.000 1.065 18 Q CB 0.274 29.145 28.738 0.221 0.000 1.218 18 Q HN 0.473 nan 8.270 nan 0.000 0.434 19 D N 0.993 121.481 120.400 0.146 0.000 2.265 19 D HA -0.214 4.477 4.640 0.085 0.000 0.208 19 D C 1.886 178.244 176.300 0.098 0.000 0.977 19 D CA 0.908 55.021 54.000 0.189 0.000 0.871 19 D CB 0.274 41.146 40.800 0.120 0.000 0.925 19 D HN 0.277 nan 8.370 nan 0.000 0.485 20 Q N 1.017 120.822 119.800 0.008 0.000 2.364 20 Q HA -0.131 4.260 4.340 0.085 0.000 0.207 20 Q C 1.778 177.702 176.000 -0.126 0.000 0.970 20 Q CA 0.888 56.658 55.803 -0.055 0.000 0.888 20 Q CB -0.531 28.183 28.738 -0.041 0.000 0.951 20 Q HN 0.398 nan 8.270 nan 0.000 0.469 21 L N -0.551 120.526 121.223 -0.245 0.000 2.376 21 L HA 0.032 4.423 4.340 0.085 0.000 0.219 21 L C 0.984 177.537 176.870 -0.529 0.000 1.133 21 L CA 0.681 55.261 54.840 -0.433 0.000 0.816 21 L CB -0.217 41.397 42.059 -0.742 0.000 0.933 21 L HN 0.070 nan 8.230 nan 0.000 0.449 22 F N -1.531 118.470 119.950 0.085 0.000 2.668 22 F HA 0.138 4.716 4.527 0.085 0.000 0.301 22 F C 2.112 177.935 175.800 0.038 0.000 1.106 22 F CA -0.231 57.833 58.000 0.107 0.000 1.289 22 F CB -0.082 38.894 39.000 -0.042 0.000 1.006 22 F HN -0.016 nan 8.300 nan 0.000 0.535 23 Q N 0.257 120.026 119.800 -0.052 0.000 2.135 23 Q HA -0.206 4.185 4.340 0.085 0.000 0.204 23 Q C 0.762 176.550 176.000 -0.355 0.000 0.981 23 Q CA 2.008 57.620 55.803 -0.318 0.000 0.856 23 Q CB -0.048 28.264 28.738 -0.710 0.000 0.902 23 Q HN 0.617 nan 8.270 nan 0.000 0.425 24 Y N -2.307 118.066 120.300 0.121 0.000 2.531 24 Y HA 0.060 4.661 4.550 0.085 0.000 0.249 24 Y C 1.134 177.116 175.900 0.136 0.000 1.168 24 Y CA -0.529 57.623 58.100 0.087 0.000 1.226 24 Y CB 0.036 38.503 38.460 0.011 0.000 1.177 24 Y HN 0.152 nan 8.280 nan 0.000 0.527 25 Y N 1.920 122.345 120.300 0.208 0.000 2.114 25 Y HA -0.325 4.276 4.550 0.085 0.000 0.282 25 Y C 1.687 177.682 175.900 0.159 0.000 1.165 25 Y CA 2.036 60.278 58.100 0.235 0.000 1.148 25 Y CB -0.152 38.532 38.460 0.373 0.000 0.972 25 Y HN 0.112 nan 8.280 nan 0.000 0.504 26 D N -1.035 119.508 120.400 0.238 0.000 2.264 26 D HA -0.130 4.561 4.640 0.085 0.000 0.208 26 D C 2.237 178.558 176.300 0.035 0.000 0.966 26 D CA 1.394 55.459 54.000 0.108 0.000 0.864 26 D CB -0.389 40.490 40.800 0.132 0.000 0.933 26 D HN 0.486 nan 8.370 nan 0.000 0.499 27 S N -0.622 115.113 115.700 0.059 0.000 2.558 27 S HA 0.063 4.584 4.470 0.085 0.000 0.217 27 S C 0.983 175.572 174.600 -0.019 0.000 0.975 27 S CA -0.275 57.945 58.200 0.033 0.000 0.912 27 S CB -0.094 63.152 63.200 0.076 0.000 0.776 27 S HN 0.074 nan 8.310 nan 0.000 0.526 28 L N 2.524 123.708 121.223 -0.065 0.000 2.456 28 L HA 0.367 4.758 4.340 0.085 0.000 0.257 28 L C 1.074 177.876 176.870 -0.113 0.000 1.162 28 L CA -0.693 54.083 54.840 -0.108 0.000 0.808 28 L CB 0.577 42.532 42.059 -0.173 0.000 1.136 28 L HN 0.228 nan 8.230 nan 0.000 0.466 29 T N -2.524 111.974 114.554 -0.093 0.000 2.828 29 T HA 0.259 4.660 4.350 0.085 0.000 0.290 29 T C 1.297 175.943 174.700 -0.090 0.000 1.019 29 T CA -0.571 61.485 62.100 -0.074 0.000 1.031 29 T CB 0.916 69.752 68.868 -0.053 0.000 1.001 29 T HN 0.426 nan 8.240 nan 0.000 0.531 30 I N 0.338 120.870 120.570 -0.064 0.000 2.208 30 I HA -0.152 4.069 4.170 0.085 0.000 0.245 30 I C 2.445 178.542 176.117 -0.032 0.000 1.097 30 I CA 1.850 63.118 61.300 -0.053 0.000 1.363 30 I CB -0.449 37.537 38.000 -0.023 0.000 1.051 30 I HN 0.817 nan 8.210 nan 0.000 0.413 31 D N 0.346 120.731 120.400 -0.024 0.000 2.144 31 D HA -0.210 4.481 4.640 0.085 0.000 0.199 31 D C 2.252 178.549 176.300 -0.005 0.000 0.984 31 D CA 1.276 55.271 54.000 -0.008 0.000 0.834 31 D CB 0.104 40.898 40.800 -0.010 0.000 0.955 31 D HN 0.311 nan 8.370 nan 0.000 0.465 32 Q N -0.414 119.367 119.800 -0.032 0.000 2.124 32 Q HA -0.193 4.198 4.340 0.085 0.000 0.202 32 Q C 2.327 178.331 176.000 0.007 0.000 0.977 32 Q CA 1.135 56.917 55.803 -0.034 0.000 0.850 32 Q CB -0.062 28.628 28.738 -0.079 0.000 0.901 32 Q HN 0.488 nan 8.270 nan 0.000 0.429 33 Q N 0.423 120.194 119.800 -0.048 0.000 2.050 33 Q HA -0.210 4.181 4.340 0.085 0.000 0.202 33 Q C 2.118 178.235 176.000 0.195 0.000 0.980 33 Q CA 1.344 57.137 55.803 -0.015 0.000 0.840 33 Q CB -0.053 28.514 28.738 -0.284 0.000 0.898 33 Q HN 0.442 nan 8.270 nan 0.000 0.424 34 Q N 0.104 119.970 119.800 0.110 0.000 2.084 34 Q HA -0.188 4.203 4.340 0.085 0.000 0.202 34 Q C 2.177 178.254 176.000 0.128 0.000 0.978 34 Q CA 1.533 57.406 55.803 0.116 0.000 0.844 34 Q CB -0.131 28.648 28.738 0.067 0.000 0.898 34 Q HN 0.229 nan 8.270 nan 0.000 0.426 35 E N 0.459 120.730 120.200 0.119 0.000 2.110 35 E HA -0.176 4.225 4.350 0.085 0.000 0.193 35 E C 1.438 178.160 176.600 0.204 0.000 0.988 35 E CA 0.934 57.405 56.400 0.118 0.000 0.804 35 E CB -0.390 29.356 29.700 0.076 0.000 0.745 35 E HN 0.559 nan 8.360 nan 0.000 0.458 36 F N 0.126 120.110 119.950 0.056 0.000 2.113 36 F HA -0.129 4.449 4.527 0.085 0.000 0.297 36 F C 2.158 177.997 175.800 0.066 0.000 1.103 36 F CA 1.293 59.333 58.000 0.066 0.000 1.248 36 F CB 0.008 39.094 39.000 0.144 0.000 0.999 36 F HN 0.179 nan 8.300 nan 0.000 0.475 37 I N 0.696 121.347 120.570 0.136 0.000 2.226 37 I HA -0.299 3.922 4.170 0.085 0.000 0.245 37 I C 1.910 178.022 176.117 -0.007 0.000 1.100 37 I CA 1.446 62.738 61.300 -0.014 0.000 1.374 37 I CB -1.437 36.613 38.000 0.083 0.000 1.057 37 I HN 0.179 nan 8.210 nan 0.000 0.413 38 D N 0.326 120.757 120.400 0.053 0.000 2.123 38 D HA -0.233 4.458 4.640 0.085 0.000 0.196 38 D C 2.155 178.475 176.300 0.034 0.000 0.992 38 D CA 1.123 55.152 54.000 0.047 0.000 0.833 38 D CB -0.241 40.594 40.800 0.059 0.000 0.954 38 D HN 0.435 nan 8.370 nan 0.000 0.455 39 Q N 0.104 119.931 119.800 0.045 0.000 2.050 39 Q HA -0.107 4.284 4.340 0.085 0.000 0.202 39 Q C 2.349 178.332 176.000 -0.029 0.000 0.980 39 Q CA 0.845 56.670 55.803 0.037 0.000 0.840 39 Q CB -0.104 28.696 28.738 0.103 0.000 0.898 39 Q HN 0.287 nan 8.270 nan 0.000 0.424 40 L N 0.814 121.937 121.223 -0.166 0.000 2.191 40 L HA -0.144 4.247 4.340 0.085 0.000 0.212 40 L C 2.634 179.517 176.870 0.022 0.000 1.103 40 L CA 1.240 55.916 54.840 -0.273 0.000 0.769 40 L CB -0.536 41.093 42.059 -0.717 0.000 0.908 40 L HN 0.339 nan 8.230 nan 0.000 0.438 41 S N -1.261 114.458 115.700 0.033 0.000 2.474 41 S HA -0.143 4.378 4.470 0.085 0.000 0.235 41 S C 1.898 176.554 174.600 0.094 0.000 0.997 41 S CA 1.178 59.432 58.200 0.089 0.000 0.949 41 S CB -0.728 62.507 63.200 0.059 0.000 0.766 41 S HN 0.576 nan 8.310 nan 0.000 0.517 42 T N -0.275 114.327 114.554 0.080 0.000 3.113 42 T HA 0.285 4.686 4.350 0.085 0.000 0.256 42 T C 0.623 175.385 174.700 0.103 0.000 1.131 42 T CA -0.257 61.891 62.100 0.081 0.000 1.074 42 T CB -0.558 68.350 68.868 0.066 0.000 0.944 42 T HN 0.291 nan 8.240 nan 0.000 0.516 43 I N 3.184 123.841 120.570 0.145 0.000 2.322 43 I HA 0.247 4.468 4.170 0.085 0.000 0.292 43 I C 0.142 176.338 176.117 0.132 0.000 1.060 43 I CA -0.821 60.580 61.300 0.168 0.000 1.309 43 I CB 0.106 38.274 38.000 0.280 0.000 1.415 43 I HN 0.128 nan 8.210 nan 0.000 0.492 44 E N 4.831 125.093 120.200 0.105 0.000 2.344 44 E HA 0.057 4.458 4.350 0.085 0.000 0.270 44 E C 0.059 176.694 176.600 0.057 0.000 1.021 44 E CA -0.473 55.973 56.400 0.076 0.000 0.887 44 E CB 0.128 29.875 29.700 0.080 0.000 0.997 44 E HN 0.593 nan 8.360 nan 0.000 0.429 45 E N 1.705 121.917 120.200 0.020 0.000 2.173 45 E HA -0.227 4.174 4.350 0.085 0.000 0.160 45 E C -1.589 174.993 176.600 -0.029 0.000 1.581 45 E CA 0.252 56.644 56.400 -0.014 0.000 0.618 45 E CB -0.539 29.165 29.700 0.007 0.000 1.049 45 E HN 0.468 nan 8.360 nan 0.000 0.311 46 P HA -0.279 nan 4.420 nan 0.000 0.215 46 P C 1.364 178.598 177.300 -0.110 0.000 1.153 46 P CA 1.913 64.916 63.100 -0.161 0.000 0.853 46 P CB 0.133 31.469 31.700 -0.607 0.000 0.788 47 A N 0.455 123.188 122.820 -0.146 0.000 1.908 47 A HA -0.205 4.166 4.320 0.085 0.000 0.218 47 A C 2.534 180.110 177.584 -0.014 0.000 1.181 47 A CA 2.532 54.523 52.037 -0.076 0.000 0.627 47 A CB -1.482 17.469 19.000 -0.082 0.000 0.818 47 A HN 0.206 nan 8.150 nan 0.000 0.445 48 K N -0.560 119.836 120.400 -0.008 0.000 2.057 48 K HA -0.094 4.277 4.320 0.085 0.000 0.207 48 K C 2.046 178.679 176.600 0.055 0.000 1.049 48 K CA 1.481 57.778 56.287 0.017 0.000 0.931 48 K CB -1.028 31.480 32.500 0.014 0.000 0.714 48 K HN 0.545 nan 8.250 nan 0.000 0.440 49 L N 0.737 122.013 121.223 0.089 0.000 2.012 49 L HA 0.048 4.439 4.340 0.085 0.000 0.210 49 L C 2.270 179.217 176.870 0.129 0.000 1.073 49 L CA 1.943 56.878 54.840 0.159 0.000 0.748 49 L CB -0.431 41.746 42.059 0.197 0.000 0.891 49 L HN 0.362 nan 8.230 nan 0.000 0.431 50 I N -0.230 120.429 120.570 0.149 0.000 2.226 50 I HA -0.264 3.956 4.170 0.085 0.000 0.245 50 I C 2.824 178.970 176.117 0.048 0.000 1.100 50 I CA 1.389 62.788 61.300 0.165 0.000 1.374 50 I CB -0.944 37.180 38.000 0.207 0.000 1.057 50 I HN 0.486 nan 8.210 nan 0.000 0.413 51 S N 0.537 116.259 115.700 0.037 0.000 2.356 51 S HA -0.214 4.307 4.470 0.085 0.000 0.223 51 S C 2.135 176.732 174.600 -0.005 0.000 1.032 51 S CA 2.442 60.649 58.200 0.012 0.000 1.005 51 S CB -0.974 62.231 63.200 0.007 0.000 0.867 51 S HN 0.367 nan 8.310 nan 0.000 0.449 52 T N 1.494 116.055 114.554 0.012 0.000 2.684 52 T HA -0.089 4.312 4.350 0.085 0.000 0.267 52 T C 2.007 176.713 174.700 0.009 0.000 1.036 52 T CA 1.587 63.699 62.100 0.020 0.000 1.148 52 T CB -0.529 68.388 68.868 0.082 0.000 0.863 52 T HN 0.280 nan 8.240 nan 0.000 0.436 53 V N 2.553 122.427 119.914 -0.066 0.000 2.237 53 V HA -0.236 3.935 4.120 0.085 0.000 0.245 53 V C 2.688 178.669 176.094 -0.189 0.000 1.046 53 V CA 2.220 64.372 62.300 -0.246 0.000 1.007 53 V CB -0.908 30.440 31.823 -0.791 0.000 0.638 53 V HN 0.701 nan 8.190 nan 0.000 0.445 54 E N 0.347 120.460 120.200 -0.144 0.000 2.097 54 E HA -0.331 4.070 4.350 0.085 0.000 0.196 54 E C 2.093 178.663 176.600 -0.050 0.000 1.000 54 E CA 1.819 58.177 56.400 -0.071 0.000 0.804 54 E CB -0.469 29.220 29.700 -0.019 0.000 0.740 54 E HN 0.689 nan 8.360 nan 0.000 0.454 55 Q N 0.741 120.514 119.800 -0.044 0.000 2.050 55 Q HA -0.106 4.285 4.340 0.085 0.000 0.202 55 Q C 2.436 178.410 176.000 -0.044 0.000 0.980 55 Q CA 1.437 57.218 55.803 -0.037 0.000 0.840 55 Q CB -0.263 28.453 28.738 -0.035 0.000 0.898 55 Q HN 0.439 nan 8.270 nan 0.000 0.424 56 A N 1.009 123.799 122.820 -0.050 0.000 1.940 56 A HA -0.193 4.178 4.320 0.085 0.000 0.219 56 A C 2.022 179.573 177.584 -0.055 0.000 1.176 56 A CA 1.244 53.248 52.037 -0.055 0.000 0.631 56 A CB -0.654 18.327 19.000 -0.031 0.000 0.814 56 A HN 0.321 nan 8.150 nan 0.000 0.446 57 I N -0.760 119.775 120.570 -0.058 0.000 2.394 57 I HA -0.278 3.943 4.170 0.085 0.000 0.251 57 I C 2.764 178.866 176.117 -0.026 0.000 1.136 57 I CA 1.214 62.488 61.300 -0.043 0.000 1.425 57 I CB -0.306 37.666 38.000 -0.046 0.000 1.079 57 I HN 0.457 nan 8.210 nan 0.000 0.425 58 Q N -0.008 119.777 119.800 -0.025 0.000 2.046 58 Q HA -0.236 4.155 4.340 0.085 0.000 0.200 58 Q C 2.513 178.504 176.000 -0.015 0.000 0.975 58 Q CA 2.215 58.008 55.803 -0.016 0.000 0.836 58 Q CB -0.441 28.287 28.738 -0.016 0.000 0.896 58 Q HN 0.683 nan 8.270 nan 0.000 0.428 59 F N 1.259 121.195 119.950 -0.023 0.000 2.171 59 F HA -0.176 4.402 4.527 0.085 0.000 0.300 59 F C 2.574 178.366 175.800 -0.014 0.000 1.090 59 F CA 1.547 59.534 58.000 -0.022 0.000 1.293 59 F CB -1.454 37.525 39.000 -0.036 0.000 1.013 59 F HN 0.346 nan 8.300 nan 0.000 0.486 60 S N -1.356 114.334 115.700 -0.016 0.000 2.500 60 S HA 0.130 4.651 4.470 0.085 0.000 0.239 60 S C 0.638 175.244 174.600 0.011 0.000 0.989 60 S CA 1.198 59.397 58.200 -0.002 0.000 0.951 60 S CB -0.623 62.575 63.200 -0.004 0.000 0.759 60 S HN 0.694 nan 8.310 nan 0.000 0.523 67 R N 2.129 122.505 120.500 -0.207 0.000 2.732 67 R HA 0.563 4.954 4.340 0.085 0.000 0.278 67 R C -0.648 175.306 176.300 -0.577 0.000 0.976 67 R CA -0.837 54.981 56.100 -0.470 0.000 0.963 67 R CB 0.741 30.571 30.300 -0.783 0.000 1.150 67 R HN 0.502 nan 8.270 nan 0.000 0.478 68 N N 2.105 120.438 118.700 -0.610 0.000 2.476 68 N HA 0.366 5.157 4.740 0.085 0.000 0.257 68 N C -1.013 174.259 175.510 -0.396 0.000 0.970 68 N CA -0.079 52.750 53.050 -0.368 0.000 0.938 68 N CB 1.085 39.473 38.487 -0.165 0.000 1.144 68 N HN 0.322 nan 8.380 nan 0.000 0.500 69 F N -0.045 119.939 119.950 0.057 0.000 2.546 69 F HA 0.519 5.093 4.527 0.078 0.000 0.320 69 F C 0.986 176.849 175.800 0.104 0.000 1.076 69 F CA -0.715 57.319 58.000 0.056 0.000 0.928 69 F CB 2.553 41.579 39.000 0.043 0.000 1.189 69 F HN 0.143 nan 8.300 nan 0.000 0.465 70 T N 0.461 115.184 114.554 0.282 0.000 2.754 70 T HA 0.292 4.693 4.350 0.085 0.000 0.296 70 T C -1.345 173.342 174.700 -0.021 0.000 1.205 70 T CA -0.673 61.556 62.100 0.215 0.000 1.009 70 T CB 1.528 70.540 68.868 0.241 0.000 1.368 70 T HN 0.598 nan 8.240 nan 0.000 0.509 71 Q N 1.309 120.962 119.800 -0.245 0.000 2.373 71 Q HA 0.441 4.832 4.340 0.085 0.000 0.255 71 Q C -0.128 175.814 176.000 -0.095 0.000 0.980 71 Q CA -0.291 55.334 55.803 -0.296 0.000 0.882 71 Q CB 0.700 29.166 28.738 -0.454 0.000 1.249 71 Q HN 0.481 nan 8.270 nan 0.000 0.438 72 L N 2.877 124.063 121.223 -0.063 0.000 2.483 72 L HA 0.110 4.501 4.340 0.085 0.000 0.275 72 L C -1.951 174.928 176.870 0.015 0.000 1.220 72 L CA -1.619 53.221 54.840 0.000 0.000 0.833 72 L CB -0.144 41.941 42.059 0.043 0.000 1.102 72 L HN 0.373 nan 8.230 nan 0.000 0.490 73 P HA 0.045 nan 4.420 nan 0.000 0.268 73 P C -0.004 177.334 177.300 0.062 0.000 1.205 73 P CA -0.109 63.022 63.100 0.051 0.000 0.771 73 P CB 0.510 32.244 31.700 0.056 0.000 0.858 74 N N 1.454 120.191 118.700 0.062 0.000 2.192 74 N HA -0.211 4.580 4.740 0.085 0.000 0.188 74 N C 1.354 176.926 175.510 0.104 0.000 1.013 74 N CA 1.484 54.578 53.050 0.073 0.000 0.863 74 N CB -0.108 38.418 38.487 0.064 0.000 0.990 74 N HN 0.206 nan 8.380 nan 0.000 0.430 75 E N -0.601 119.661 120.200 0.103 0.000 2.333 75 E HA -0.077 4.324 4.350 0.085 0.000 0.198 75 E C 1.334 178.046 176.600 0.187 0.000 1.007 75 E CA 0.876 57.355 56.400 0.131 0.000 0.845 75 E CB -0.249 29.516 29.700 0.108 0.000 0.766 75 E HN 0.577 nan 8.360 nan 0.000 0.507 76 Q N -0.221 119.672 119.800 0.154 0.000 2.319 76 Q HA 0.125 4.516 4.340 0.085 0.000 0.202 76 Q C 1.040 177.150 176.000 0.184 0.000 0.896 76 Q CA 0.540 56.424 55.803 0.136 0.000 0.942 76 Q CB 0.561 29.331 28.738 0.054 0.000 1.083 76 Q HN 0.609 nan 8.270 nan 0.000 0.510 77 T N -2.236 112.442 114.554 0.207 0.000 2.942 77 T HA 0.876 5.277 4.350 0.085 0.000 0.289 77 T C -0.479 174.351 174.700 0.215 0.000 1.044 77 T CA -0.566 61.649 62.100 0.192 0.000 1.023 77 T CB 2.477 71.398 68.868 0.089 0.000 1.123 77 T HN 0.087 nan 8.240 nan 0.000 0.512 78 A N 0.594 123.472 122.820 0.097 0.000 2.610 78 A HA 0.829 5.200 4.320 0.085 0.000 0.291 78 A C -0.715 176.827 177.584 -0.070 0.000 1.086 78 A CA -0.793 51.269 52.037 0.043 0.000 0.677 78 A CB 1.425 20.472 19.000 0.078 0.000 1.278 78 A HN 1.259 nan 8.150 nan 0.000 0.414 79 S N -0.722 114.943 115.700 -0.059 0.000 2.575 79 S HA 0.511 5.032 4.470 0.085 0.000 0.278 79 S C 0.822 175.370 174.600 -0.087 0.000 1.139 79 S CA 0.410 58.561 58.200 -0.082 0.000 0.954 79 S CB 1.266 64.431 63.200 -0.058 0.000 1.054 79 S HN 1.770 nan 8.310 nan 0.000 0.483 80 T N 2.806 117.305 114.554 -0.092 0.000 3.072 80 T HA 0.025 4.426 4.350 0.085 0.000 0.266 80 T C 1.344 175.998 174.700 -0.077 0.000 1.127 80 T CA 0.802 62.850 62.100 -0.086 0.000 1.107 80 T CB -0.359 68.468 68.868 -0.069 0.000 0.910 80 T HN 0.443 nan 8.240 nan 0.000 0.513 81 L N 0.918 122.100 121.223 -0.067 0.000 2.418 81 L HA 0.269 4.660 4.340 0.085 0.000 0.218 81 L C 1.736 178.572 176.870 -0.057 0.000 1.125 81 L CA 0.981 55.788 54.840 -0.055 0.000 0.835 81 L CB -0.097 41.934 42.059 -0.046 0.000 0.953 81 L HN 0.169 nan 8.230 nan 0.000 0.454 82 D N -1.321 119.040 120.400 -0.065 0.000 2.470 82 D HA 0.182 4.873 4.640 0.085 0.000 0.238 82 D C 0.861 177.109 176.300 -0.087 0.000 1.054 82 D CA 0.090 54.053 54.000 -0.062 0.000 0.896 82 D CB 0.400 41.172 40.800 -0.046 0.000 1.118 82 D HN 0.110 nan 8.370 nan 0.000 0.497 83 L N 1.979 123.129 121.223 -0.123 0.000 2.483 83 L HA 0.063 4.454 4.340 0.085 0.000 0.276 83 L C 1.125 177.888 176.870 -0.179 0.000 1.213 83 L CA -0.242 54.486 54.840 -0.187 0.000 0.843 83 L CB 0.452 42.327 42.059 -0.307 0.000 1.107 83 L HN -0.039 nan 8.230 nan 0.000 0.487 84 S N 1.497 117.084 115.700 -0.188 0.000 2.579 84 S HA 0.224 4.745 4.470 0.085 0.000 0.275 84 S C 1.186 175.677 174.600 -0.181 0.000 1.345 84 S CA -0.133 57.973 58.200 -0.156 0.000 1.031 84 S CB 1.396 64.513 63.200 -0.138 0.000 0.892 84 S HN 0.668 nan 8.310 nan 0.000 0.529 85 K N 1.322 121.640 120.400 -0.137 0.000 2.103 85 K HA -0.153 4.218 4.320 0.085 0.000 0.207 85 K C 1.509 178.019 176.600 -0.150 0.000 1.048 85 K CA 2.140 58.348 56.287 -0.132 0.000 0.930 85 K CB -1.483 30.959 32.500 -0.097 0.000 0.716 85 K HN 0.812 nan 8.250 nan 0.000 0.444 86 D N 0.118 120.431 120.400 -0.145 0.000 2.117 86 D HA -0.010 4.681 4.640 0.085 0.000 0.198 86 D C 1.884 178.061 176.300 -0.205 0.000 0.982 86 D CA 1.047 54.963 54.000 -0.141 0.000 0.828 86 D CB -0.063 40.672 40.800 -0.108 0.000 0.967 86 D HN 0.519 nan 8.370 nan 0.000 0.464 87 I N 0.478 120.872 120.570 -0.293 0.000 2.252 87 I HA -0.193 4.028 4.170 0.085 0.000 0.245 87 I C 2.321 178.040 176.117 -0.663 0.000 1.102 87 I CA 0.511 61.513 61.300 -0.497 0.000 1.385 87 I CB -0.047 37.601 38.000 -0.588 0.000 1.064 87 I HN -0.041 nan 8.210 nan 0.000 0.414 88 L N 0.164 121.097 121.223 -0.483 0.000 2.083 88 L HA -0.256 4.135 4.340 0.085 0.000 0.209 88 L C 2.662 179.423 176.870 -0.182 0.000 1.083 88 L CA 1.420 56.058 54.840 -0.337 0.000 0.752 88 L CB -0.576 41.353 42.059 -0.216 0.000 0.899 88 L HN 0.368 nan 8.230 nan 0.000 0.433 89 Q N 0.376 120.073 119.800 -0.172 0.000 2.119 89 Q HA -0.242 4.149 4.340 0.085 0.000 0.201 89 Q C 1.945 177.883 176.000 -0.102 0.000 0.972 89 Q CA 1.829 57.557 55.803 -0.124 0.000 0.847 89 Q CB 0.018 28.690 28.738 -0.110 0.000 0.903 89 Q HN 0.433 nan 8.270 nan 0.000 0.433 90 N N -0.402 118.235 118.700 -0.104 0.000 2.142 90 N HA -0.166 4.625 4.740 0.085 0.000 0.186 90 N C 1.152 176.741 175.510 0.131 0.000 1.023 90 N CA 1.694 54.736 53.050 -0.014 0.000 0.852 90 N CB -0.232 38.245 38.487 -0.018 0.000 0.998 90 N HN 0.321 nan 8.380 nan 0.000 0.424 91 W N 0.785 122.034 121.300 -0.084 0.000 2.388 91 W HA 0.062 4.771 4.660 0.082 0.000 0.294 91 W C 2.351 178.798 176.519 -0.119 0.000 1.212 91 W CA 0.954 58.250 57.345 -0.083 0.000 1.271 91 W CB -1.361 28.075 29.460 -0.039 0.000 1.126 91 W HN 0.042 nan 8.180 nan 0.000 0.535 92 T N 0.393 114.998 114.554 0.084 0.000 2.720 92 T HA -0.214 4.187 4.350 0.085 0.000 0.268 92 T C 1.518 176.109 174.700 -0.182 0.000 1.037 92 T CA 1.964 64.028 62.100 -0.060 0.000 1.144 92 T CB -0.192 68.608 68.868 -0.114 0.000 0.864 92 T HN 0.234 nan 8.240 nan 0.000 0.444 93 E N 0.456 120.517 120.200 -0.232 0.000 2.106 93 E HA -0.016 4.385 4.350 0.085 0.000 0.192 93 E C 2.219 178.705 176.600 -0.191 0.000 0.984 93 E CA 0.692 56.833 56.400 -0.431 0.000 0.806 93 E CB -0.212 29.278 29.700 -0.349 0.000 0.750 93 E HN 0.419 nan 8.360 nan 0.000 0.458 94 L N 0.131 121.314 121.223 -0.067 0.000 2.046 94 L HA -0.110 4.281 4.340 0.085 0.000 0.208 94 L C 2.545 179.367 176.870 -0.079 0.000 1.077 94 L CA 1.218 56.033 54.840 -0.043 0.000 0.747 94 L CB -0.566 41.459 42.059 -0.056 0.000 0.896 94 L HN 0.235 nan 8.230 nan 0.000 0.432 95 G N -0.115 108.624 108.800 -0.101 0.000 2.402 95 G HA2 -0.170 3.841 3.960 0.085 0.000 0.216 95 G HA3 -0.170 3.841 3.960 0.085 0.000 0.216 95 G C 1.616 176.472 174.900 -0.073 0.000 1.162 95 G CA 0.360 45.397 45.100 -0.105 0.000 0.777 95 G HN 0.217 nan 8.290 nan 0.000 0.539 96 L N 0.037 121.196 121.223 -0.106 0.000 2.141 96 L HA 0.018 4.409 4.340 0.085 0.000 0.209 96 L C 2.763 179.679 176.870 0.076 0.000 1.094 96 L CA 1.206 56.012 54.840 -0.056 0.000 0.763 96 L CB -0.267 41.692 42.059 -0.167 0.000 0.908 96 L HN 0.231 nan 8.230 nan 0.000 0.437 97 K N 0.585 121.046 120.400 0.102 0.000 2.057 97 K HA -0.161 4.210 4.320 0.085 0.000 0.206 97 K C 2.168 178.827 176.600 0.099 0.000 1.050 97 K CA 1.279 57.663 56.287 0.162 0.000 0.935 97 K CB -0.033 32.569 32.500 0.170 0.000 0.715 97 K HN 0.239 nan 8.250 nan 0.000 0.439 98 A N 1.350 124.209 122.820 0.064 0.000 1.873 98 A HA -0.114 4.257 4.320 0.085 0.000 0.215 98 A C 2.085 179.736 177.584 0.111 0.000 1.186 98 A CA 1.380 53.476 52.037 0.099 0.000 0.616 98 A CB -0.562 18.472 19.000 0.057 0.000 0.823 98 A HN 0.334 nan 8.150 nan 0.000 0.442 99 I N -0.208 120.410 120.570 0.079 0.000 2.163 99 I HA -0.227 3.994 4.170 0.085 0.000 0.243 99 I C 2.668 178.831 176.117 0.077 0.000 1.085 99 I CA 1.240 62.587 61.300 0.079 0.000 1.347 99 I CB -0.640 37.387 38.000 0.044 0.000 1.044 99 I HN 0.407 nan 8.210 nan 0.000 0.408 100 G N 0.410 109.257 108.800 0.078 0.000 2.470 100 G HA2 -0.211 3.800 3.960 0.085 0.000 0.220 100 G HA3 -0.211 3.800 3.960 0.085 0.000 0.220 100 G C 1.270 176.208 174.900 0.064 0.000 1.121 100 G CA 0.547 45.690 45.100 0.072 0.000 0.766 100 G HN 0.386 nan 8.290 nan 0.000 0.553 101 N N 0.572 119.316 118.700 0.074 0.000 2.268 101 N HA 0.103 4.894 4.740 0.085 0.000 0.204 101 N C 1.441 176.993 175.510 0.070 0.000 1.124 101 N CA 0.617 53.706 53.050 0.065 0.000 0.838 101 N CB 0.454 38.982 38.487 0.069 0.000 0.994 101 N HN 0.326 nan 8.380 nan 0.000 0.489 102 G N 1.794 110.640 108.800 0.078 0.000 2.221 102 G HA2 -0.278 3.732 3.960 0.085 0.000 0.265 102 G HA3 -0.278 3.732 3.960 0.085 0.000 0.265 102 G C 0.412 175.371 174.900 0.099 0.000 1.041 102 G CA 0.202 45.351 45.100 0.082 0.000 0.807 102 G HN 0.476 nan 8.290 nan 0.000 0.502 103 E N -1.207 119.069 120.200 0.127 0.000 2.476 103 E HA 0.317 4.718 4.350 0.085 0.000 0.196 103 E C 0.362 177.088 176.600 0.210 0.000 1.029 103 E CA 0.001 56.490 56.400 0.148 0.000 0.896 103 E CB 1.044 30.855 29.700 0.186 0.000 1.012 103 E HN 0.345 nan 8.360 nan 0.000 0.475 104 V N 1.157 121.194 119.914 0.206 0.000 2.540 104 V HA 0.689 4.860 4.120 0.085 0.000 0.302 104 V C -0.327 175.907 176.094 0.233 0.000 1.035 104 V CA -0.795 61.652 62.300 0.244 0.000 0.873 104 V CB 1.614 33.569 31.823 0.220 0.000 0.992 104 V HN 0.140 nan 8.190 nan 0.000 0.428 105 A N 3.945 126.932 122.820 0.278 0.000 2.479 105 A HA 0.962 5.333 4.320 0.085 0.000 0.296 105 A C -1.301 176.516 177.584 0.388 0.000 1.121 105 A CA -0.654 51.583 52.037 0.334 0.000 0.743 105 A CB 2.181 21.434 19.000 0.420 0.000 1.323 105 A HN 0.636 nan 8.150 nan 0.000 0.415 106 V N 1.233 121.418 119.914 0.453 0.000 2.495 106 V HA 0.444 4.615 4.120 0.085 0.000 0.298 106 V C -0.643 175.779 176.094 0.547 0.000 1.031 106 V CA -0.299 62.301 62.300 0.501 0.000 0.871 106 V CB 1.398 33.523 31.823 0.503 0.000 0.988 106 V HN 0.693 nan 8.190 nan 0.000 0.432 107 L N 5.517 126.982 121.223 0.404 0.000 2.280 107 L HA 0.548 4.939 4.340 0.085 0.000 0.287 107 L C -0.750 176.212 176.870 0.155 0.000 1.023 107 L CA -0.583 54.448 54.840 0.319 0.000 0.819 107 L CB 1.575 43.767 42.059 0.223 0.000 1.212 107 L HN 0.444 nan 8.230 nan 0.000 0.420 108 L N 4.844 126.124 121.223 0.095 0.000 2.296 108 L HA 0.485 4.876 4.340 0.085 0.000 0.286 108 L C -0.306 176.487 176.870 -0.128 0.000 1.023 108 L CA -0.096 54.654 54.840 -0.151 0.000 0.812 108 L CB 1.419 43.439 42.059 -0.065 0.000 1.223 108 L HN 0.541 nan 8.230 nan 0.000 0.421 109 M N 5.540 125.044 119.600 -0.159 0.000 2.151 109 M HA 0.319 4.850 4.480 0.085 0.000 0.349 109 M C 0.889 177.147 176.300 -0.070 0.000 1.284 109 M CA -0.171 55.069 55.300 -0.101 0.000 1.173 109 M CB 1.350 33.910 32.600 -0.067 0.000 1.469 109 M HN 0.848 nan 8.290 nan 0.000 0.439 110 A N 3.019 125.813 122.820 -0.042 0.000 2.147 110 A HA 0.497 4.868 4.320 0.085 0.000 0.211 110 A C 1.278 178.866 177.584 0.007 0.000 1.160 110 A CA 0.707 52.765 52.037 0.036 0.000 0.781 110 A CB -0.365 18.750 19.000 0.192 0.000 0.842 110 A HN 1.006 nan 8.150 nan 0.000 0.475 111 G N -1.287 107.498 108.800 -0.024 0.000 2.552 111 G HA2 0.110 4.120 3.960 0.085 0.000 0.265 111 G HA3 0.110 4.120 3.960 0.085 0.000 0.265 111 G C 0.682 175.576 174.900 -0.010 0.000 1.234 111 G CA -0.004 45.082 45.100 -0.024 0.000 0.944 111 G HN 1.437 nan 8.290 nan 0.000 0.568 112 G N -1.741 107.052 108.800 -0.012 0.000 3.099 112 G HA2 0.595 4.606 3.960 0.085 0.000 0.151 112 G HA3 0.595 4.606 3.960 0.085 0.000 0.151 112 G C 0.117 175.013 174.900 -0.007 0.000 1.265 112 G CA 0.384 45.481 45.100 -0.005 0.000 0.981 112 G HN 0.880 nan 8.290 nan 0.000 0.601 113 Q N -0.699 119.096 119.800 -0.008 0.000 2.492 113 Q HA 0.380 4.771 4.340 0.085 0.000 0.238 113 Q C 0.886 176.874 176.000 -0.020 0.000 1.045 113 Q CA 0.252 56.050 55.803 -0.009 0.000 0.934 113 Q CB 0.769 29.504 28.738 -0.005 0.000 1.276 113 Q HN 0.517 nan 8.270 nan 0.000 0.521 114 G N 0.523 109.318 108.800 -0.009 0.000 3.562 114 G HA2 0.008 4.018 3.960 0.085 0.000 0.279 114 G HA3 0.008 4.018 3.960 0.085 0.000 0.279 114 G C 0.726 175.613 174.900 -0.022 0.000 1.314 114 G CA -0.208 44.876 45.100 -0.028 0.000 1.189 114 G HN 0.591 nan 8.290 nan 0.000 0.562 115 T N 0.376 114.919 114.554 -0.018 0.000 2.620 115 T HA -0.281 4.120 4.350 0.085 0.000 0.267 115 T C 2.348 177.033 174.700 -0.025 0.000 1.044 115 T CA 1.504 63.596 62.100 -0.013 0.000 1.161 115 T CB -0.104 68.756 68.868 -0.013 0.000 0.862 115 T HN 0.456 nan 8.240 nan 0.000 0.438 116 R N 0.568 121.040 120.500 -0.046 0.000 2.152 116 R HA 0.008 4.399 4.340 0.085 0.000 0.232 116 R C 2.082 178.334 176.300 -0.080 0.000 1.117 116 R CA 0.991 57.056 56.100 -0.058 0.000 0.981 116 R CB -0.333 29.926 30.300 -0.068 0.000 0.870 116 R HN 0.426 nan 8.270 nan 0.000 0.451 117 L N -0.963 120.190 121.223 -0.116 0.000 2.554 117 L HA 0.195 4.586 4.340 0.085 0.000 0.226 117 L C 1.127 177.993 176.870 -0.008 0.000 1.137 117 L CA 0.558 55.294 54.840 -0.173 0.000 0.863 117 L CB 0.189 41.971 42.059 -0.462 0.000 0.985 117 L HN 0.515 nan 8.230 nan 0.000 0.451 118 G N 0.266 109.078 108.800 0.021 0.000 2.130 118 G HA2 -0.241 3.770 3.960 0.085 0.000 0.216 118 G HA3 -0.241 3.770 3.960 0.085 0.000 0.216 118 G C 0.102 175.057 174.900 0.091 0.000 0.999 118 G CA 0.256 45.388 45.100 0.054 0.000 0.686 118 G HN 0.333 nan 8.290 nan 0.000 0.515 119 S N -1.016 114.746 115.700 0.102 0.000 2.513 119 S HA 0.738 5.259 4.470 0.085 0.000 0.299 119 S C 0.940 175.567 174.600 0.045 0.000 1.087 119 S CA 0.713 58.973 58.200 0.101 0.000 1.012 119 S CB 1.937 65.265 63.200 0.213 0.000 1.044 119 S HN 0.898 nan 8.310 nan 0.000 0.485 120 S N 2.588 118.300 115.700 0.021 0.000 2.556 120 S HA 0.488 5.008 4.470 0.085 0.000 0.216 120 S C 0.577 175.175 174.600 -0.003 0.000 0.970 120 S CA 0.170 58.373 58.200 0.006 0.000 0.912 120 S CB -0.475 62.724 63.200 -0.001 0.000 0.790 120 S HN 0.895 nan 8.310 nan 0.000 0.504 121 A N 2.014 124.831 122.820 -0.005 0.000 2.252 121 A HA 0.759 5.130 4.320 0.085 0.000 0.305 121 A C -2.743 174.829 177.584 -0.020 0.000 1.097 121 A CA -1.854 50.166 52.037 -0.029 0.000 0.849 121 A CB -0.079 18.876 19.000 -0.075 0.000 1.142 121 A HN 0.283 nan 8.150 nan 0.000 0.499 122 P HA 0.074 nan 4.420 nan 0.000 0.267 122 P C 0.455 177.725 177.300 -0.050 0.000 1.200 122 P CA 0.015 63.121 63.100 0.010 0.000 0.772 122 P CB 0.546 32.319 31.700 0.120 0.000 0.855 123 K N 2.524 122.882 120.400 -0.071 0.000 2.103 123 K HA -0.148 4.223 4.320 0.085 0.000 0.207 123 K C 2.043 178.488 176.600 -0.257 0.000 1.048 123 K CA 1.980 58.197 56.287 -0.117 0.000 0.930 123 K CB -0.924 31.504 32.500 -0.120 0.000 0.716 123 K HN 0.659 nan 8.250 nan 0.000 0.444 124 G N -0.033 108.418 108.800 -0.582 0.000 2.498 124 G HA2 -0.226 3.784 3.960 0.085 0.000 0.219 124 G HA3 -0.226 3.784 3.960 0.085 0.000 0.219 124 G C 1.318 175.702 174.900 -0.859 0.000 1.119 124 G CA 0.881 45.152 45.100 -1.382 0.000 0.766 124 G HN 0.420 nan 8.290 nan 0.000 0.552 125 C N -0.494 118.543 119.300 -0.438 0.000 2.500 125 C HA 0.314 4.825 4.460 0.085 0.000 0.273 125 C C 1.124 175.990 174.990 -0.207 0.000 1.428 125 C CA -1.362 57.394 59.018 -0.438 0.000 1.766 125 C CB -1.470 25.891 27.740 -0.631 0.000 1.817 125 C HN 0.344 nan 8.230 nan 0.000 0.543 126 F N 2.946 122.756 119.950 -0.233 0.000 2.608 126 F HA 0.118 4.696 4.527 0.085 0.000 0.380 126 F C 0.545 176.278 175.800 -0.113 0.000 1.083 126 F CA 0.395 58.303 58.000 -0.153 0.000 1.266 126 F CB 0.197 39.109 39.000 -0.147 0.000 1.076 126 F HN 0.152 nan 8.300 nan 0.000 0.574 127 N N 6.796 125.182 118.700 -0.523 0.000 2.485 127 N HA 0.134 4.925 4.740 0.085 0.000 0.243 127 N C 0.513 175.908 175.510 -0.193 0.000 0.987 127 N CA -0.551 52.334 53.050 -0.275 0.000 0.940 127 N CB 0.342 38.668 38.487 -0.269 0.000 1.122 127 N HN 0.636 nan 8.380 nan 0.000 0.509 128 I N -0.517 120.065 120.570 0.020 0.000 3.646 128 I HA 0.193 4.414 4.170 0.085 0.000 0.301 128 I C -0.430 175.669 176.117 -0.029 0.000 1.276 128 I CA 0.134 61.481 61.300 0.079 0.000 1.254 128 I CB -0.543 37.475 38.000 0.030 0.000 1.020 128 I HN 0.499 nan 8.210 nan 0.000 0.473 129 E N 1.247 121.401 120.200 -0.078 0.000 2.340 129 E HA -0.151 4.250 4.350 0.085 0.000 0.240 129 E C -0.227 176.323 176.600 -0.083 0.000 1.154 129 E CA 0.095 56.448 56.400 -0.078 0.000 0.717 129 E CB -1.787 27.878 29.700 -0.059 0.000 1.250 129 E HN 0.605 nan 8.360 nan 0.000 0.386 130 L N -0.551 120.598 121.223 -0.123 0.000 2.476 130 L HA 0.077 4.468 4.340 0.085 0.000 0.255 130 L C -0.889 175.937 176.870 -0.073 0.000 1.218 130 L CA -1.415 53.348 54.840 -0.129 0.000 0.819 130 L CB -0.072 41.849 42.059 -0.231 0.000 1.119 130 L HN -0.104 nan 8.230 nan 0.000 0.485 131 P HA -0.183 nan 4.420 nan 0.000 0.216 131 P C 1.456 178.748 177.300 -0.013 0.000 1.150 131 P CA 1.484 64.575 63.100 -0.016 0.000 0.843 131 P CB 0.136 31.839 31.700 0.005 0.000 0.787 132 S N -1.985 113.703 115.700 -0.021 0.000 2.489 132 S HA -0.094 4.427 4.470 0.085 0.000 0.228 132 S C 0.980 175.568 174.600 -0.020 0.000 0.995 132 S CA 0.301 58.495 58.200 -0.009 0.000 0.934 132 S CB -0.831 62.370 63.200 -0.000 0.000 0.771 132 S HN 0.080 nan 8.310 nan 0.000 0.522 133 Q N -0.174 119.599 119.800 -0.046 0.000 2.494 133 Q HA -0.160 4.231 4.340 0.085 0.000 0.266 133 Q C -0.821 175.156 176.000 -0.038 0.000 1.053 133 Q CA 1.082 56.856 55.803 -0.048 0.000 1.029 133 Q CB -2.120 26.601 28.738 -0.028 0.000 1.423 133 Q HN 0.734 nan 8.270 nan 0.000 0.516 134 K N 1.316 121.684 120.400 -0.054 0.000 2.249 134 K HA 0.326 4.697 4.320 0.085 0.000 0.280 134 K C 0.837 177.406 176.600 -0.052 0.000 1.033 134 K CA 0.221 56.483 56.287 -0.043 0.000 0.946 134 K CB 0.729 33.195 32.500 -0.057 0.000 1.005 134 K HN 0.283 nan 8.250 nan 0.000 0.469 135 S N 2.325 118.028 115.700 0.004 0.000 2.608 135 S HA 0.091 4.612 4.470 0.085 0.000 0.261 135 S C 1.413 176.009 174.600 -0.008 0.000 1.314 135 S CA -0.634 57.583 58.200 0.029 0.000 0.992 135 S CB 0.409 63.729 63.200 0.200 0.000 0.935 135 S HN 0.555 nan 8.310 nan 0.000 0.564 136 L N -0.458 120.755 121.223 -0.017 0.000 2.046 136 L HA -0.081 4.310 4.340 0.085 0.000 0.208 136 L C 2.362 179.300 176.870 0.114 0.000 1.077 136 L CA 1.446 56.286 54.840 -0.000 0.000 0.747 136 L CB -0.678 41.339 42.059 -0.071 0.000 0.896 136 L HN 0.589 nan 8.230 nan 0.000 0.432 137 F N 0.366 120.398 119.950 0.136 0.000 2.126 137 F HA -0.283 4.295 4.527 0.084 0.000 0.299 137 F C 2.827 178.566 175.800 -0.103 0.000 1.096 137 F CA 1.732 59.859 58.000 0.212 0.000 1.255 137 F CB -0.814 38.319 39.000 0.222 0.000 0.997 137 F HN 0.159 nan 8.300 nan 0.000 0.479 138 Q N 0.395 119.964 119.800 -0.385 0.000 2.119 138 Q HA -0.163 4.227 4.340 0.085 0.000 0.201 138 Q C 2.238 178.122 176.000 -0.195 0.000 0.972 138 Q CA 1.587 56.903 55.803 -0.811 0.000 0.847 138 Q CB -0.243 27.997 28.738 -0.829 0.000 0.903 138 Q HN 0.447 nan 8.270 nan 0.000 0.433 139 I N 0.491 121.036 120.570 -0.042 0.000 2.179 139 I HA -0.322 3.899 4.170 0.085 0.000 0.242 139 I C 2.396 178.572 176.117 0.099 0.000 1.088 139 I CA 1.474 62.806 61.300 0.052 0.000 1.357 139 I CB -0.215 37.830 38.000 0.074 0.000 1.051 139 I HN 0.341 nan 8.210 nan 0.000 0.409 140 Q N 0.362 120.268 119.800 0.176 0.000 2.119 140 Q HA -0.135 4.256 4.340 0.085 0.000 0.201 140 Q C 2.426 178.406 176.000 -0.034 0.000 0.972 140 Q CA 1.543 57.446 55.803 0.168 0.000 0.847 140 Q CB -0.234 28.791 28.738 0.478 0.000 0.903 140 Q HN 0.569 nan 8.270 nan 0.000 0.433 141 A N 1.264 124.141 122.820 0.095 0.000 1.933 141 A HA -0.226 4.145 4.320 0.085 0.000 0.218 141 A C 1.756 179.387 177.584 0.077 0.000 1.175 141 A CA 1.460 53.552 52.037 0.092 0.000 0.628 141 A CB -0.320 18.955 19.000 0.458 0.000 0.814 141 A HN 0.322 nan 8.150 nan 0.000 0.444 142 E N -0.507 119.745 120.200 0.087 0.000 2.208 142 E HA -0.109 4.291 4.350 0.085 0.000 0.193 142 E C 1.822 178.484 176.600 0.103 0.000 0.988 142 E CA 0.580 57.042 56.400 0.104 0.000 0.828 142 E CB -0.009 29.753 29.700 0.103 0.000 0.763 142 E HN 0.332 nan 8.360 nan 0.000 0.478 143 K N 0.767 121.214 120.400 0.078 0.000 2.057 143 K HA -0.077 4.294 4.320 0.085 0.000 0.206 143 K C 2.078 178.779 176.600 0.169 0.000 1.050 143 K CA 0.793 57.155 56.287 0.126 0.000 0.935 143 K CB -0.165 32.359 32.500 0.040 0.000 0.715 143 K HN 0.200 nan 8.250 nan 0.000 0.439 144 I N 1.016 121.601 120.570 0.024 0.000 2.179 144 I HA -0.293 3.928 4.170 0.085 0.000 0.242 144 I C 2.341 178.483 176.117 0.042 0.000 1.088 144 I CA 1.016 62.307 61.300 -0.014 0.000 1.357 144 I CB -0.301 37.586 38.000 -0.188 0.000 1.051 144 I HN 0.054 nan 8.210 nan 0.000 0.409 145 L N 0.553 121.814 121.223 0.063 0.000 2.042 145 L HA -0.257 4.134 4.340 0.085 0.000 0.210 145 L C 2.617 179.532 176.870 0.076 0.000 1.076 145 L CA 1.377 56.264 54.840 0.079 0.000 0.749 145 L CB -0.521 41.600 42.059 0.103 0.000 0.893 145 L HN 0.187 nan 8.230 nan 0.000 0.432 146 K N 0.536 121.000 120.400 0.106 0.000 2.057 146 K HA -0.178 4.193 4.320 0.085 0.000 0.206 146 K C 1.843 178.466 176.600 0.039 0.000 1.050 146 K CA 1.454 57.806 56.287 0.107 0.000 0.935 146 K CB -0.366 32.251 32.500 0.193 0.000 0.715 146 K HN 0.068 nan 8.250 nan 0.000 0.439 147 I N 1.442 122.018 120.570 0.010 0.000 2.493 147 I HA -0.142 4.078 4.170 0.085 0.000 0.254 147 I C 1.538 177.608 176.117 -0.078 0.000 1.160 147 I CA 1.370 62.564 61.300 -0.177 0.000 1.445 147 I CB -0.134 37.693 38.000 -0.288 0.000 1.086 147 I HN 0.279 nan 8.210 nan 0.000 0.433 148 E N -0.430 119.764 120.200 -0.011 0.000 2.106 148 E HA -0.237 4.164 4.350 0.085 0.000 0.192 148 E C 2.052 178.658 176.600 0.011 0.000 0.984 148 E CA 0.819 57.225 56.400 0.010 0.000 0.806 148 E CB -0.072 29.645 29.700 0.029 0.000 0.750 148 E HN 0.455 nan 8.360 nan 0.000 0.458 149 Q N 0.407 120.214 119.800 0.013 0.000 2.079 149 Q HA -0.094 4.297 4.340 0.085 0.000 0.200 149 Q C 2.334 178.339 176.000 0.008 0.000 0.974 149 Q CA 1.049 56.862 55.803 0.016 0.000 0.840 149 Q CB -0.234 28.520 28.738 0.025 0.000 0.898 149 Q HN 0.355 nan 8.270 nan 0.000 0.430 150 L N -0.172 121.039 121.223 -0.020 0.000 2.093 150 L HA -0.134 4.257 4.340 0.085 0.000 0.208 150 L C 2.354 179.231 176.870 0.012 0.000 1.085 150 L CA 1.012 55.835 54.840 -0.029 0.000 0.755 150 L CB -0.581 41.413 42.059 -0.108 0.000 0.904 150 L HN 0.102 nan 8.230 nan 0.000 0.435 151 A N -0.425 122.399 122.820 0.006 0.000 1.898 151 A HA -0.271 4.100 4.320 0.085 0.000 0.216 151 A C 2.277 179.916 177.584 0.091 0.000 1.181 151 A CA 1.724 53.801 52.037 0.067 0.000 0.620 151 A CB -0.560 18.463 19.000 0.040 0.000 0.819 151 A HN 0.478 nan 8.150 nan 0.000 0.442 152 Q N -1.103 118.726 119.800 0.049 0.000 2.096 152 Q HA -0.257 4.134 4.340 0.085 0.000 0.204 152 Q C 2.130 178.149 176.000 0.032 0.000 0.982 152 Q CA 1.744 57.568 55.803 0.035 0.000 0.850 152 Q CB -0.145 28.607 28.738 0.023 0.000 0.901 152 Q HN 0.596 nan 8.270 nan 0.000 0.422 153 Q N -0.524 119.302 119.800 0.044 0.000 2.079 153 Q HA -0.178 4.213 4.340 0.085 0.000 0.200 153 Q C 1.820 177.857 176.000 0.061 0.000 0.974 153 Q CA 1.353 57.181 55.803 0.041 0.000 0.840 153 Q CB -0.635 28.127 28.738 0.041 0.000 0.898 153 Q HN 0.529 nan 8.270 nan 0.000 0.430 154 Y N 0.925 121.211 120.300 -0.023 0.000 2.181 154 Y HA -0.138 4.464 4.550 0.086 0.000 0.288 154 Y C 1.821 177.713 175.900 -0.014 0.000 1.146 154 Y CA 1.310 59.397 58.100 -0.021 0.000 1.164 154 Y CB -0.205 38.239 38.460 -0.028 0.000 0.982 154 Y HN 0.019 nan 8.280 nan 0.000 0.515 155 L N 0.123 121.243 121.223 -0.172 0.000 2.558 155 L HA 0.019 4.410 4.340 0.085 0.000 0.225 155 L C 0.670 177.454 176.870 -0.144 0.000 1.128 155 L CA 0.512 55.211 54.840 -0.235 0.000 0.868 155 L CB -0.292 41.717 42.059 -0.084 0.000 1.006 155 L HN 0.068 nan 8.230 nan 0.000 0.454 156 K N 0.470 120.816 120.400 -0.090 0.000 3.096 156 K HA -0.125 4.245 4.320 0.085 0.000 0.266 156 K C -0.068 176.508 176.600 -0.039 0.000 1.043 156 K CA 0.055 56.308 56.287 -0.057 0.000 0.758 156 K CB -1.800 30.658 32.500 -0.069 0.000 1.260 156 K HN 0.208 nan 8.250 nan 0.000 0.481 157 S N -0.037 115.648 115.700 -0.025 0.000 2.601 157 S HA 0.150 4.671 4.470 0.085 0.000 0.271 157 S C 1.616 176.211 174.600 -0.007 0.000 1.305 157 S CA -0.640 57.552 58.200 -0.014 0.000 1.022 157 S CB 1.565 64.763 63.200 -0.003 0.000 0.940 157 S HN 0.245 nan 8.310 nan 0.000 0.525 158 T N 2.472 117.023 114.554 -0.006 0.000 2.746 158 T HA -0.039 4.362 4.350 0.085 0.000 0.267 158 T C 0.524 175.225 174.700 0.001 0.000 1.039 158 T CA 1.337 63.436 62.100 -0.003 0.000 1.142 158 T CB -0.049 68.817 68.868 -0.003 0.000 0.866 158 T HN 0.438 nan 8.240 nan 0.000 0.444 159 K N 1.486 121.889 120.400 0.004 0.000 2.281 159 K HA 0.404 4.775 4.320 0.085 0.000 0.242 159 K C -0.464 176.144 176.600 0.012 0.000 0.971 159 K CA -0.903 55.389 56.287 0.007 0.000 0.834 159 K CB 1.691 34.195 32.500 0.006 0.000 1.181 159 K HN 0.205 nan 8.250 nan 0.000 0.435 160 K N 1.598 122.007 120.400 0.016 0.000 2.237 160 K HA 0.269 4.640 4.320 0.085 0.000 0.270 160 K C -2.266 174.349 176.600 0.025 0.000 1.015 160 K CA -1.337 54.963 56.287 0.022 0.000 0.949 160 K CB 0.178 32.693 32.500 0.025 0.000 0.976 160 K HN 0.253 nan 8.250 nan 0.000 0.472 161 P HA 0.171 nan 4.420 nan 0.000 0.274 161 P C -0.574 176.750 177.300 0.040 0.000 1.246 161 P CA -0.457 62.665 63.100 0.037 0.000 0.795 161 P CB 0.580 32.306 31.700 0.044 0.000 1.006 162 I N 1.826 122.424 120.570 0.045 0.000 2.404 162 I HA 0.368 4.589 4.170 0.085 0.000 0.293 162 I C 0.499 176.655 176.117 0.065 0.000 0.992 162 I CA -0.853 60.476 61.300 0.049 0.000 1.149 162 I CB 1.032 39.057 38.000 0.041 0.000 1.315 162 I HN 0.267 nan 8.210 nan 0.000 0.446 163 I N 5.984 126.595 120.570 0.068 0.000 2.359 163 I HA 0.233 4.454 4.170 0.085 0.000 0.284 163 I C 0.024 176.196 176.117 0.091 0.000 1.018 163 I CA -0.520 60.835 61.300 0.092 0.000 1.173 163 I CB 0.834 38.885 38.000 0.085 0.000 1.326 163 I HN 0.501 nan 8.210 nan 0.000 0.462 164 N N 5.288 124.040 118.700 0.087 0.000 2.513 164 N HA 0.085 4.876 4.740 0.085 0.000 0.268 164 N C -1.070 174.470 175.510 0.050 0.000 1.180 164 N CA -0.053 52.979 53.050 -0.030 0.000 0.948 164 N CB 0.677 39.071 38.487 -0.155 0.000 1.083 164 N HN 0.460 nan 8.380 nan 0.000 0.455 165 W N 4.545 125.686 121.300 -0.264 0.000 2.338 165 W HA 0.340 5.051 4.660 0.084 0.000 0.315 165 W C -1.543 174.808 176.519 -0.279 0.000 1.005 165 W CA -1.345 55.926 57.345 -0.123 0.000 1.380 165 W CB -0.149 29.299 29.460 -0.020 0.000 1.235 165 W HN 0.474 nan 8.180 nan 0.000 0.409 166 Y N 6.495 126.904 120.300 0.181 0.000 2.425 166 Y HA 0.366 4.967 4.550 0.085 0.000 0.347 166 Y C 0.600 176.530 175.900 0.050 0.000 0.976 166 Y CA -0.296 57.861 58.100 0.095 0.000 1.190 166 Y CB 0.580 39.136 38.460 0.160 0.000 1.136 166 Y HN 0.061 nan 8.280 nan 0.000 0.517 167 I N 5.208 125.728 120.570 -0.083 0.000 2.330 167 I HA 0.268 4.489 4.170 0.085 0.000 0.289 167 I C -0.267 175.674 176.117 -0.293 0.000 1.001 167 I CA -0.568 60.579 61.300 -0.255 0.000 1.193 167 I CB 1.236 38.906 38.000 -0.550 0.000 1.345 167 I HN 0.564 nan 8.210 nan 0.000 0.461 168 M N 7.750 127.056 119.600 -0.490 0.000 2.077 168 M HA 0.282 4.813 4.480 0.085 0.000 0.348 168 M C -0.003 176.078 176.300 -0.366 0.000 1.252 168 M CA -0.131 54.639 55.300 -0.883 0.000 1.096 168 M CB 0.587 32.659 32.600 -0.880 0.000 1.568 168 M HN 0.718 nan 8.290 nan 0.000 0.456 169 T N 1.317 115.712 114.554 -0.266 0.000 2.948 169 T HA 0.668 5.068 4.350 0.085 0.000 0.285 169 T C 0.187 174.829 174.700 -0.097 0.000 1.019 169 T CA -0.858 61.184 62.100 -0.096 0.000 1.013 169 T CB 1.381 70.235 68.868 -0.023 0.000 1.117 169 T HN 0.694 nan 8.240 nan 0.000 0.533 170 S N -0.250 115.423 115.700 -0.046 0.000 2.632 170 S HA 0.490 5.011 4.470 0.085 0.000 0.267 170 S C 1.724 176.310 174.600 -0.024 0.000 1.276 170 S CA -0.364 57.817 58.200 -0.033 0.000 0.998 170 S CB 0.560 63.751 63.200 -0.016 0.000 0.953 170 S HN 1.113 nan 8.310 nan 0.000 0.547 171 G N 1.618 110.411 108.800 -0.012 0.000 2.476 171 G HA2 -0.125 3.886 3.960 0.085 0.000 0.218 171 G HA3 -0.125 3.886 3.960 0.085 0.000 0.218 171 G C -0.359 174.536 174.900 -0.008 0.000 1.164 171 G CA 0.807 45.904 45.100 -0.004 0.000 0.768 171 G HN 0.743 nan 8.290 nan 0.000 0.560 172 P HA -0.051 nan 4.420 nan 0.000 0.223 172 P C 1.497 178.789 177.300 -0.012 0.000 1.151 172 P CA 1.905 65.000 63.100 -0.009 0.000 0.787 172 P CB -0.147 31.550 31.700 -0.005 0.000 0.788 173 T N -4.327 110.220 114.554 -0.011 0.000 3.069 173 T HA 0.182 4.583 4.350 0.085 0.000 0.252 173 T C 1.811 176.494 174.700 -0.027 0.000 1.053 173 T CA -0.271 61.824 62.100 -0.007 0.000 0.964 173 T CB -0.138 68.740 68.868 0.016 0.000 1.005 173 T HN -0.117 nan 8.240 nan 0.000 0.532 174 R N 2.828 123.301 120.500 -0.046 0.000 2.083 174 R HA -0.051 4.340 4.340 0.085 0.000 0.237 174 R C 1.801 178.009 176.300 -0.153 0.000 1.137 174 R CA 1.841 57.884 56.100 -0.095 0.000 0.951 174 R CB -1.161 29.102 30.300 -0.062 0.000 0.851 174 R HN 0.353 nan 8.270 nan 0.000 0.434 175 N N 0.369 119.010 118.700 -0.098 0.000 2.084 175 N HA -0.095 4.696 4.740 0.085 0.000 0.190 175 N C 1.557 177.012 175.510 -0.092 0.000 1.030 175 N CA 1.872 54.862 53.050 -0.100 0.000 0.849 175 N CB -0.637 37.816 38.487 -0.056 0.000 1.012 175 N HN 0.393 nan 8.380 nan 0.000 0.423 176 A N 0.227 123.018 122.820 -0.050 0.000 1.930 176 A HA -0.089 4.282 4.320 0.085 0.000 0.217 176 A C 2.336 179.934 177.584 0.022 0.000 1.175 176 A CA 1.812 53.844 52.037 -0.008 0.000 0.627 176 A CB -0.937 18.063 19.000 0.000 0.000 0.815 176 A HN 0.300 nan 8.150 nan 0.000 0.443 177 T N -0.638 113.905 114.554 -0.019 0.000 2.737 177 T HA -0.130 4.271 4.350 0.085 0.000 0.265 177 T C 1.885 176.524 174.700 -0.101 0.000 1.038 177 T CA 1.518 63.635 62.100 0.028 0.000 1.144 177 T CB -0.194 68.676 68.868 0.002 0.000 0.866 177 T HN 0.707 nan 8.240 nan 0.000 0.434 178 E N 0.677 120.568 120.200 -0.515 0.000 2.110 178 E HA -0.113 4.288 4.350 0.085 0.000 0.193 178 E C 2.309 178.791 176.600 -0.198 0.000 0.988 178 E CA 1.089 57.056 56.400 -0.722 0.000 0.804 178 E CB -0.037 29.168 29.700 -0.824 0.000 0.745 178 E HN 0.308 nan 8.360 nan 0.000 0.458 179 S N 0.166 115.805 115.700 -0.103 0.000 2.368 179 S HA -0.154 4.367 4.470 0.085 0.000 0.225 179 S C 1.486 176.095 174.600 0.016 0.000 1.030 179 S CA 1.051 59.230 58.200 -0.036 0.000 0.999 179 S CB -0.421 62.775 63.200 -0.007 0.000 0.844 179 S HN 0.376 nan 8.310 nan 0.000 0.459 180 F N 1.476 121.384 119.950 -0.071 0.000 2.134 180 F HA -0.077 4.501 4.527 0.084 0.000 0.299 180 F C 1.706 177.368 175.800 -0.230 0.000 1.097 180 F CA 1.109 59.063 58.000 -0.077 0.000 1.264 180 F CB -0.487 38.534 39.000 0.035 0.000 1.001 180 F HN 0.125 nan 8.300 nan 0.000 0.479 181 F N 0.272 120.095 119.950 -0.213 0.000 2.134 181 F HA -0.171 4.407 4.527 0.085 0.000 0.299 181 F C 2.333 177.605 175.800 -0.880 0.000 1.097 181 F CA 1.659 59.340 58.000 -0.531 0.000 1.264 181 F CB -0.741 38.127 39.000 -0.220 0.000 1.001 181 F HN -0.085 nan 8.300 nan 0.000 0.479 182 I N -0.394 119.878 120.570 -0.496 0.000 2.226 182 I HA -0.278 3.943 4.170 0.085 0.000 0.245 182 I C 2.608 178.509 176.117 -0.359 0.000 1.100 182 I CA 1.654 62.669 61.300 -0.474 0.000 1.374 182 I CB -0.618 37.264 38.000 -0.198 0.000 1.057 182 I HN 0.070 nan 8.210 nan 0.000 0.413 183 E N 0.965 120.977 120.200 -0.314 0.000 2.209 183 E HA -0.195 4.206 4.350 0.085 0.000 0.196 183 E C 1.382 177.760 176.600 -0.370 0.000 0.993 183 E CA 1.286 57.526 56.400 -0.267 0.000 0.819 183 E CB -0.415 29.163 29.700 -0.203 0.000 0.745 183 E HN 0.544 nan 8.360 nan 0.000 0.477 184 N N 0.607 118.935 118.700 -0.620 0.000 2.238 184 N HA 0.051 4.842 4.740 0.085 0.000 0.222 184 N C 0.205 175.351 175.510 -0.607 0.000 1.133 184 N CA 0.469 53.084 53.050 -0.724 0.000 0.854 184 N CB 0.171 37.849 38.487 -1.349 0.000 1.041 184 N HN 0.315 nan 8.380 nan 0.000 0.510 185 N N 1.028 119.476 118.700 -0.420 0.000 2.716 185 N HA -0.282 4.509 4.740 0.085 0.000 0.250 185 N C -0.928 174.574 175.510 -0.013 0.000 1.033 185 N CA 0.467 53.424 53.050 -0.155 0.000 0.727 185 N CB -1.900 36.564 38.487 -0.038 0.000 0.950 185 N HN 0.346 nan 8.380 nan 0.000 0.541 186 Y N -2.663 117.516 120.300 -0.203 0.000 4.079 186 Y HA -0.378 4.223 4.550 0.085 0.000 0.223 186 Y C 0.946 176.904 175.900 0.096 0.000 1.155 186 Y CA 1.152 59.276 58.100 0.041 0.000 1.805 186 Y CB -2.637 35.952 38.460 0.215 0.000 1.571 186 Y HN 0.354 nan 8.280 nan 0.000 0.654 187 F N -1.679 118.346 119.950 0.125 0.000 3.100 187 F HA -0.252 4.326 4.527 0.085 0.000 0.284 187 F C 1.606 177.493 175.800 0.146 0.000 0.875 187 F CA 1.717 59.775 58.000 0.096 0.000 1.039 187 F CB -1.440 37.625 39.000 0.109 0.000 1.111 187 F HN 0.598 nan 8.300 nan 0.000 0.575 188 G N -1.055 107.890 108.800 0.243 0.000 2.194 188 G HA2 -0.289 3.722 3.960 0.085 0.000 0.236 188 G HA3 -0.289 3.722 3.960 0.085 0.000 0.236 188 G C 0.236 175.255 174.900 0.198 0.000 0.987 188 G CA -0.036 45.181 45.100 0.195 0.000 0.635 188 G HN 0.436 nan 8.290 nan 0.000 0.520 189 L N 0.569 121.960 121.223 0.279 0.000 2.468 189 L HA 0.394 4.785 4.340 0.085 0.000 0.254 189 L C 0.982 177.929 176.870 0.129 0.000 1.171 189 L CA -0.956 54.021 54.840 0.228 0.000 0.809 189 L CB 0.453 42.718 42.059 0.344 0.000 1.155 189 L HN 0.196 nan 8.230 nan 0.000 0.473 190 N N 0.093 118.814 118.700 0.035 0.000 2.497 190 N HA -0.036 4.755 4.740 0.085 0.000 0.271 190 N C 0.964 176.326 175.510 -0.247 0.000 1.142 190 N CA 0.301 53.300 53.050 -0.085 0.000 0.965 190 N CB 1.475 39.914 38.487 -0.080 0.000 1.077 190 N HN 0.698 nan 8.380 nan 0.000 0.462 191 S N 3.119 118.541 115.700 -0.463 0.000 2.402 191 S HA -0.176 4.345 4.470 0.085 0.000 0.233 191 S C 1.302 175.670 174.600 -0.386 0.000 1.030 191 S CA 1.118 58.729 58.200 -0.981 0.000 1.003 191 S CB -0.597 62.214 63.200 -0.648 0.000 0.813 191 S HN 0.752 nan 8.310 nan 0.000 0.477 192 H N 1.636 120.524 119.070 -0.303 0.000 2.529 192 H HA 0.046 4.653 4.556 0.085 0.000 0.277 192 H C 2.314 177.532 175.328 -0.183 0.000 0.999 192 H CA 1.036 56.970 56.048 -0.190 0.000 1.256 192 H CB 0.006 29.700 29.762 -0.113 0.000 1.402 192 H HN 0.766 nan 8.280 nan 0.000 0.566 193 Q N 0.995 120.764 119.800 -0.052 0.000 2.403 193 Q HA 0.081 4.472 4.340 0.085 0.000 0.203 193 Q C -0.197 175.727 176.000 -0.127 0.000 0.932 193 Q CA 0.173 55.933 55.803 -0.072 0.000 0.945 193 Q CB 0.589 29.329 28.738 0.003 0.000 1.045 193 Q HN 0.062 nan 8.270 nan 0.000 0.511 194 V N 2.375 122.169 119.914 -0.200 0.000 2.334 194 V HA 0.404 4.575 4.120 0.085 0.000 0.281 194 V C -0.481 175.243 176.094 -0.618 0.000 1.016 194 V CA -0.532 61.529 62.300 -0.398 0.000 0.832 194 V CB 1.184 32.798 31.823 -0.347 0.000 0.999 194 V HN 0.248 nan 8.190 nan 0.000 0.439 195 I N 5.587 125.754 120.570 -0.671 0.000 2.382 195 I HA 0.484 4.705 4.170 0.085 0.000 0.286 195 I C -0.680 175.221 176.117 -0.360 0.000 1.002 195 I CA -0.205 60.837 61.300 -0.430 0.000 1.135 195 I CB 1.449 39.279 38.000 -0.284 0.000 1.288 195 I HN 0.383 nan 8.210 nan 0.000 0.448 196 F N 6.872 126.839 119.950 0.028 0.000 2.399 196 F HA 0.642 5.220 4.527 0.085 0.000 0.334 196 F C -0.055 175.896 175.800 0.250 0.000 1.097 196 F CA -0.661 57.371 58.000 0.053 0.000 1.076 196 F CB 1.162 40.124 39.000 -0.063 0.000 1.162 196 F HN 0.279 nan 8.300 nan 0.000 0.495 197 F N -0.039 120.005 119.950 0.157 0.000 2.641 197 F HA 0.570 5.148 4.527 0.084 0.000 0.308 197 F C -1.439 174.408 175.800 0.078 0.000 1.105 197 F CA -1.358 56.703 58.000 0.101 0.000 0.964 197 F CB 1.022 40.067 39.000 0.074 0.000 1.294 197 F HN 0.216 nan 8.300 nan 0.000 0.442 198 N N 2.369 121.112 118.700 0.071 0.000 2.498 198 N HA 0.203 4.994 4.740 0.085 0.000 0.287 198 N C -1.003 174.492 175.510 -0.025 0.000 1.097 198 N CA -0.592 52.437 53.050 -0.035 0.000 0.973 198 N CB 1.597 40.099 38.487 0.025 0.000 1.153 198 N HN 0.837 nan 8.380 nan 0.000 0.472 199 Q N 0.354 120.103 119.800 -0.085 0.000 2.354 199 Q HA 0.402 4.793 4.340 0.085 0.000 0.244 199 Q C 0.343 176.358 176.000 0.024 0.000 0.969 199 Q CA -0.584 55.199 55.803 -0.034 0.000 0.885 199 Q CB 0.653 29.354 28.738 -0.061 0.000 1.241 199 Q HN 0.712 nan 8.270 nan 0.000 0.461 200 G N 0.672 109.504 108.800 0.053 0.000 2.557 200 G HA2 0.458 4.469 3.960 0.085 0.000 0.292 200 G HA3 0.458 4.469 3.960 0.085 0.000 0.292 200 G C -0.622 174.310 174.900 0.054 0.000 1.237 200 G CA 0.103 45.241 45.100 0.063 0.000 0.978 200 G HN 0.731 nan 8.290 nan 0.000 0.498 201 T N -2.752 111.837 114.554 0.058 0.000 2.887 201 T HA 0.744 5.145 4.350 0.085 0.000 0.292 201 T C -0.642 174.093 174.700 0.058 0.000 1.087 201 T CA -0.839 61.291 62.100 0.050 0.000 1.009 201 T CB 1.661 70.553 68.868 0.041 0.000 1.203 201 T HN 0.375 nan 8.240 nan 0.000 0.518 202 L N 0.652 121.901 121.223 0.043 0.000 2.393 202 L HA 0.591 4.982 4.340 0.085 0.000 0.260 202 L C -2.641 174.261 176.870 0.054 0.000 1.002 202 L CA -2.801 52.065 54.840 0.043 0.000 0.818 202 L CB 2.852 44.894 42.059 -0.028 0.000 1.369 202 L HN 0.475 nan 8.230 nan 0.000 0.412 203 P HA 0.088 nan 4.420 nan 0.000 0.270 203 P C -1.055 176.296 177.300 0.085 0.000 1.223 203 P CA -0.393 62.722 63.100 0.025 0.000 0.785 203 P CB 0.527 32.185 31.700 -0.070 0.000 0.923 204 C N 1.966 121.264 119.300 -0.004 0.000 2.364 204 C HA 0.604 5.115 4.460 0.085 0.000 0.356 204 C C 0.078 175.056 174.990 -0.020 0.000 1.201 204 C CA 0.008 59.078 59.018 0.087 0.000 2.227 204 C CB -0.477 27.283 27.740 0.034 0.000 2.387 204 C HN 0.440 nan 8.230 nan 0.000 0.546 205 F N 1.415 121.350 119.950 -0.024 0.000 2.618 205 F HA 0.447 5.025 4.527 0.086 0.000 0.332 205 F C 0.578 176.376 175.800 -0.003 0.000 1.061 205 F CA -0.762 57.232 58.000 -0.011 0.000 0.974 205 F CB 0.851 39.837 39.000 -0.022 0.000 1.310 205 F HN 0.604 nan 8.300 nan 0.000 0.491 206 N N 0.626 119.445 118.700 0.198 0.000 2.347 206 N HA 0.102 4.893 4.740 0.085 0.000 0.253 206 N C 0.726 176.308 175.510 0.120 0.000 1.274 206 N CA -0.278 52.844 53.050 0.120 0.000 0.941 206 N CB 0.178 38.720 38.487 0.091 0.000 1.200 206 N HN 0.663 nan 8.380 nan 0.000 0.514 207 L N -1.233 120.036 121.223 0.077 0.000 2.079 207 L HA -0.200 4.191 4.340 0.085 0.000 0.210 207 L C 2.540 179.439 176.870 0.049 0.000 1.081 207 L CA 1.575 56.449 54.840 0.056 0.000 0.752 207 L CB -0.462 41.622 42.059 0.042 0.000 0.896 207 L HN 0.698 nan 8.230 nan 0.000 0.433 208 Q N -0.001 119.832 119.800 0.056 0.000 2.378 208 Q HA -0.056 4.335 4.340 0.085 0.000 0.205 208 Q C 1.377 177.401 176.000 0.041 0.000 0.954 208 Q CA 0.817 56.646 55.803 0.043 0.000 0.901 208 Q CB 0.275 29.039 28.738 0.044 0.000 0.981 208 Q HN 0.533 nan 8.270 nan 0.000 0.483 209 G N 1.264 110.115 108.800 0.085 0.000 2.143 209 G HA2 -0.285 3.726 3.960 0.085 0.000 0.249 209 G HA3 -0.285 3.726 3.960 0.085 0.000 0.249 209 G C 0.348 175.342 174.900 0.156 0.000 0.981 209 G CA 0.528 45.663 45.100 0.058 0.000 0.665 209 G HN 0.599 nan 8.290 nan 0.000 0.528 210 N N -0.634 118.180 118.700 0.190 0.000 2.325 210 N HA 0.113 4.903 4.740 0.085 0.000 0.182 210 N C 0.263 175.908 175.510 0.225 0.000 1.088 210 N CA 0.404 53.564 53.050 0.183 0.000 0.879 210 N CB 0.378 38.925 38.487 0.100 0.000 0.983 210 N HN 0.298 nan 8.380 nan 0.000 0.471 211 K N 1.045 121.587 120.400 0.237 0.000 2.443 211 K HA 0.404 4.775 4.320 0.085 0.000 0.252 211 K C -0.431 176.100 176.600 -0.115 0.000 0.933 211 K CA -0.601 55.736 56.287 0.084 0.000 0.792 211 K CB 2.627 35.154 32.500 0.046 0.000 1.185 211 K HN -0.007 nan 8.250 nan 0.000 0.425 212 I N 3.149 123.515 120.570 -0.339 0.000 2.575 212 I HA 0.124 4.345 4.170 0.085 0.000 0.285 212 I C 0.353 176.307 176.117 -0.271 0.000 1.085 212 I CA -0.463 60.464 61.300 -0.622 0.000 1.403 212 I CB 0.512 38.210 38.000 -0.502 0.000 1.409 212 I HN 0.242 nan 8.210 nan 0.000 0.557 213 L N 6.646 127.735 121.223 -0.223 0.000 2.312 213 L HA 0.383 4.774 4.340 0.085 0.000 0.281 213 L C -0.295 176.543 176.870 -0.052 0.000 1.070 213 L CA -0.569 54.220 54.840 -0.086 0.000 0.805 213 L CB 0.845 42.879 42.059 -0.042 0.000 1.174 213 L HN 0.410 nan 8.230 nan 0.000 0.434 214 L N 2.795 124.012 121.223 -0.010 0.000 2.305 214 L HA 0.148 4.538 4.340 0.085 0.000 0.281 214 L C 1.219 178.113 176.870 0.040 0.000 1.085 214 L CA 0.162 55.007 54.840 0.008 0.000 0.813 214 L CB 1.535 43.611 42.059 0.029 0.000 1.157 214 L HN 0.735 nan 8.230 nan 0.000 0.436 215 E N 3.596 123.823 120.200 0.045 0.000 2.075 215 E HA 0.106 4.507 4.350 0.085 0.000 0.190 215 E C 0.133 176.836 176.600 0.171 0.000 0.969 215 E CA 0.537 57.012 56.400 0.126 0.000 0.815 215 E CB 0.498 30.260 29.700 0.104 0.000 0.776 215 E HN 0.497 nan 8.360 nan 0.000 0.457 216 L N -0.138 121.101 121.223 0.027 0.000 2.257 216 L HA 0.349 4.740 4.340 0.085 0.000 0.257 216 L C 0.887 177.678 176.870 -0.131 0.000 1.033 216 L CA -0.846 53.969 54.840 -0.041 0.000 0.835 216 L CB 1.369 43.362 42.059 -0.110 0.000 1.398 216 L HN -0.150 nan 8.230 nan 0.000 0.429 217 K N 0.762 121.054 120.400 -0.179 0.000 2.280 217 K HA -0.094 4.277 4.320 0.085 0.000 0.202 217 K C 0.602 177.001 176.600 -0.335 0.000 1.047 217 K CA 1.129 57.305 56.287 -0.186 0.000 0.942 217 K CB -0.080 32.272 32.500 -0.247 0.000 0.739 217 K HN 0.532 nan 8.250 nan 0.000 0.457 218 N N -0.425 118.002 118.700 -0.454 0.000 2.433 218 N HA -0.015 4.776 4.740 0.085 0.000 0.270 218 N C -1.221 173.794 175.510 -0.824 0.000 1.354 218 N CA -0.274 52.281 53.050 -0.824 0.000 0.889 218 N CB 0.706 38.967 38.487 -0.378 0.000 1.285 218 N HN -0.041 nan 8.380 nan 0.000 0.503 219 S N -0.278 115.056 115.700 -0.609 0.000 2.542 219 S HA 0.543 5.064 4.470 0.085 0.000 0.276 219 S C -0.348 174.238 174.600 -0.022 0.000 1.148 219 S CA -1.070 57.041 58.200 -0.148 0.000 0.886 219 S CB 0.711 63.871 63.200 -0.066 0.000 1.109 219 S HN 0.311 nan 8.310 nan 0.000 0.458 220 I N -0.389 120.250 120.570 0.115 0.000 2.577 220 I HA 0.719 4.940 4.170 0.085 0.000 0.300 220 I C 0.043 176.172 176.117 0.021 0.000 0.990 220 I CA -0.887 60.443 61.300 0.050 0.000 1.283 220 I CB 0.778 38.789 38.000 0.018 0.000 1.411 220 I HN 0.667 nan 8.210 nan 0.000 0.515 221 C N 3.911 123.211 119.300 0.000 0.000 2.637 221 C HA 0.381 4.892 4.460 0.085 0.000 0.418 221 C C 0.316 175.307 174.990 0.001 0.000 1.319 221 C CA -0.013 59.011 59.018 0.010 0.000 1.949 221 C CB -0.341 27.401 27.740 0.004 0.000 2.639 221 C HN 0.775 nan 8.230 nan 0.000 0.594 222 Q N 0.972 120.783 119.800 0.017 0.000 2.456 222 Q HA 0.693 5.084 4.340 0.085 0.000 0.283 222 Q C -0.940 175.074 176.000 0.025 0.000 1.084 222 Q CA -0.383 55.433 55.803 0.022 0.000 0.801 222 Q CB 2.340 31.095 28.738 0.028 0.000 1.434 222 Q HN 0.741 nan 8.270 nan 0.000 0.419 223 S N 0.439 116.155 115.700 0.027 0.000 2.537 223 S HA 0.583 5.104 4.470 0.085 0.000 0.270 223 S C -2.830 171.785 174.600 0.025 0.000 1.142 223 S CA -1.339 56.876 58.200 0.024 0.000 0.870 223 S CB 1.442 64.656 63.200 0.024 0.000 1.112 223 S HN 0.229 nan 8.310 nan 0.000 0.466 224 P HA 0.062 nan 4.420 nan 0.000 0.263 224 P C -0.411 176.909 177.300 0.034 0.000 1.175 224 P CA 0.297 63.412 63.100 0.025 0.000 0.761 224 P CB 0.190 31.899 31.700 0.016 0.000 0.794 225 D N 2.028 122.455 120.400 0.044 0.000 2.400 225 D HA 0.229 4.920 4.640 0.085 0.000 0.243 225 D C 0.787 177.138 176.300 0.085 0.000 1.184 225 D CA -0.184 53.853 54.000 0.062 0.000 0.853 225 D CB -0.852 40.001 40.800 0.089 0.000 0.944 225 D HN 0.540 nan 8.370 nan 0.000 0.501 226 G N 1.327 110.174 108.800 0.079 0.000 2.733 226 G HA2 -0.267 3.744 3.960 0.085 0.000 0.686 226 G HA3 -0.267 3.744 3.960 0.085 0.000 0.686 226 G C 0.568 175.507 174.900 0.065 0.000 1.373 226 G CA -0.265 44.902 45.100 0.112 0.000 0.838 226 G HN 0.323 nan 8.290 nan 0.000 0.588 227 N N -0.099 118.627 118.700 0.044 0.000 2.364 227 N HA 0.020 4.811 4.740 0.085 0.000 0.183 227 N C 2.154 177.622 175.510 -0.069 0.000 1.022 227 N CA 2.370 55.406 53.050 -0.024 0.000 0.883 227 N CB -0.492 37.972 38.487 -0.039 0.000 0.965 227 N HN 1.376 nan 8.380 nan 0.000 0.438 228 G N -0.455 108.338 108.800 -0.012 0.000 2.625 228 G HA2 -0.031 3.980 3.960 0.085 0.000 0.214 228 G HA3 -0.031 3.980 3.960 0.085 0.000 0.214 228 G C 1.343 176.237 174.900 -0.010 0.000 1.132 228 G CA 0.428 45.513 45.100 -0.025 0.000 0.782 228 G HN 0.510 nan 8.290 nan 0.000 0.538 229 G N 0.581 109.387 108.800 0.010 0.000 2.679 229 G HA2 -0.001 4.010 3.960 0.085 0.000 0.212 229 G HA3 -0.001 4.010 3.960 0.085 0.000 0.212 229 G C 1.551 176.453 174.900 0.004 0.000 1.137 229 G CA 0.562 45.692 45.100 0.050 0.000 0.787 229 G HN 0.398 nan 8.290 nan 0.000 0.534 230 L N -0.093 121.048 121.223 -0.137 0.000 2.043 230 L HA -0.111 4.280 4.340 0.085 0.000 0.212 230 L C 2.572 179.388 176.870 -0.090 0.000 1.075 230 L CA 1.766 56.516 54.840 -0.150 0.000 0.752 230 L CB -0.596 41.265 42.059 -0.330 0.000 0.891 230 L HN 0.397 nan 8.230 nan 0.000 0.432 231 Y N -0.177 120.184 120.300 0.102 0.000 2.128 231 Y HA -0.303 4.298 4.550 0.084 0.000 0.284 231 Y C 2.742 178.697 175.900 0.091 0.000 1.154 231 Y CA 1.850 60.014 58.100 0.106 0.000 1.149 231 Y CB -0.526 38.044 38.460 0.184 0.000 0.976 231 Y HN 0.195 nan 8.280 nan 0.000 0.505 232 K N 0.604 121.149 120.400 0.243 0.000 2.097 232 K HA -0.150 4.221 4.320 0.085 0.000 0.205 232 K C 2.275 178.955 176.600 0.134 0.000 1.050 232 K CA 1.026 57.413 56.287 0.166 0.000 0.938 232 K CB -0.295 32.298 32.500 0.156 0.000 0.718 232 K HN 0.268 nan 8.250 nan 0.000 0.442 233 A N 1.180 124.096 122.820 0.160 0.000 1.933 233 A HA -0.105 4.266 4.320 0.085 0.000 0.218 233 A C 2.050 179.727 177.584 0.155 0.000 1.175 233 A CA 1.158 53.330 52.037 0.225 0.000 0.628 233 A CB -0.516 18.687 19.000 0.339 0.000 0.814 233 A HN 0.309 nan 8.150 nan 0.000 0.444 234 L N -0.605 120.658 121.223 0.066 0.000 2.046 234 L HA -0.194 4.197 4.340 0.085 0.000 0.208 234 L C 2.655 179.450 176.870 -0.126 0.000 1.077 234 L CA 1.954 56.699 54.840 -0.157 0.000 0.747 234 L CB -0.426 41.568 42.059 -0.109 0.000 0.896 234 L HN 0.491 nan 8.230 nan 0.000 0.432 235 K N 0.249 120.633 120.400 -0.028 0.000 2.001 235 K HA -0.188 4.183 4.320 0.085 0.000 0.208 235 K C 1.584 178.169 176.600 -0.024 0.000 1.048 235 K CA 1.875 58.143 56.287 -0.031 0.000 0.932 235 K CB -0.013 32.489 32.500 0.003 0.000 0.715 235 K HN 0.170 nan 8.250 nan 0.000 0.437 236 D N 0.637 121.046 120.400 0.015 0.000 2.219 236 D HA -0.085 4.605 4.640 0.085 0.000 0.205 236 D C 0.944 177.257 176.300 0.023 0.000 0.970 236 D CA 0.792 54.809 54.000 0.029 0.000 0.851 236 D CB -0.079 40.758 40.800 0.061 0.000 0.943 236 D HN 0.261 nan 8.370 nan 0.000 0.488 237 N N -0.242 118.461 118.700 0.005 0.000 2.235 237 N HA 0.114 4.905 4.740 0.085 0.000 0.209 237 N C 0.925 176.390 175.510 -0.075 0.000 1.122 237 N CA 0.452 53.503 53.050 0.001 0.000 0.845 237 N CB 1.286 39.819 38.487 0.076 0.000 1.004 237 N HN 0.118 nan 8.380 nan 0.000 0.499 238 G N 1.480 110.225 108.800 -0.091 0.000 2.179 238 G HA2 -0.244 3.767 3.960 0.085 0.000 0.257 238 G HA3 -0.244 3.767 3.960 0.085 0.000 0.257 238 G C 0.951 175.748 174.900 -0.173 0.000 1.010 238 G CA 0.031 45.070 45.100 -0.102 0.000 0.736 238 G HN 0.277 nan 8.290 nan 0.000 0.513 239 I N -0.551 119.837 120.570 -0.303 0.000 2.333 239 I HA 0.008 4.229 4.170 0.085 0.000 0.246 239 I C 2.673 178.556 176.117 -0.390 0.000 1.106 239 I CA 1.315 62.333 61.300 -0.470 0.000 1.411 239 I CB -1.112 36.381 38.000 -0.846 0.000 1.082 239 I HN 0.322 nan 8.210 nan 0.000 0.420 240 L N 1.375 122.428 121.223 -0.284 0.000 2.046 240 L HA -0.203 4.188 4.340 0.085 0.000 0.208 240 L C 2.012 178.787 176.870 -0.158 0.000 1.077 240 L CA 1.943 56.658 54.840 -0.209 0.000 0.747 240 L CB -0.835 41.133 42.059 -0.151 0.000 0.896 240 L HN 0.133 nan 8.230 nan 0.000 0.432 241 D N -0.350 119.971 120.400 -0.131 0.000 2.104 241 D HA -0.231 4.460 4.640 0.085 0.000 0.194 241 D C 1.860 178.114 176.300 -0.076 0.000 0.994 241 D CA 1.652 55.599 54.000 -0.088 0.000 0.830 241 D CB -0.209 40.550 40.800 -0.070 0.000 0.959 241 D HN 0.458 nan 8.370 nan 0.000 0.452 242 D N -0.392 119.954 120.400 -0.089 0.000 2.144 242 D HA -0.065 4.626 4.640 0.085 0.000 0.199 242 D C 2.206 178.493 176.300 -0.022 0.000 0.984 242 D CA 0.448 54.428 54.000 -0.032 0.000 0.834 242 D CB -0.059 40.755 40.800 0.024 0.000 0.955 242 D HN 0.135 nan 8.370 nan 0.000 0.465 243 L N 0.168 121.329 121.223 -0.104 0.000 2.083 243 L HA -0.158 4.233 4.340 0.085 0.000 0.209 243 L C 2.126 178.976 176.870 -0.034 0.000 1.083 243 L CA 0.845 55.644 54.840 -0.068 0.000 0.752 243 L CB -0.534 41.445 42.059 -0.133 0.000 0.899 243 L HN 0.111 nan 8.230 nan 0.000 0.433 244 N N -0.293 118.377 118.700 -0.051 0.000 2.106 244 N HA -0.120 4.671 4.740 0.085 0.000 0.188 244 N C 2.028 177.528 175.510 -0.017 0.000 1.029 244 N CA 1.488 54.515 53.050 -0.037 0.000 0.848 244 N CB -0.281 38.178 38.487 -0.048 0.000 1.007 244 N HN 0.150 nan 8.380 nan 0.000 0.423 245 S N 0.857 116.549 115.700 -0.013 0.000 2.419 245 S HA -0.014 4.507 4.470 0.085 0.000 0.233 245 S C 1.548 176.157 174.600 0.015 0.000 1.016 245 S CA 0.996 59.196 58.200 0.000 0.000 0.974 245 S CB 0.031 63.232 63.200 0.001 0.000 0.786 245 S HN 0.360 nan 8.310 nan 0.000 0.492 246 K N 0.190 120.607 120.400 0.029 0.000 2.404 246 K HA 0.191 4.562 4.320 0.085 0.000 0.194 246 K C 1.082 177.705 176.600 0.039 0.000 1.023 246 K CA 0.400 56.715 56.287 0.047 0.000 1.094 246 K CB 0.239 32.790 32.500 0.084 0.000 0.841 246 K HN 0.380 nan 8.250 nan 0.000 0.523 247 G N 2.298 111.111 108.800 0.021 0.000 2.176 247 G HA2 -0.262 3.749 3.960 0.085 0.000 0.252 247 G HA3 -0.262 3.749 3.960 0.085 0.000 0.252 247 G C 0.077 174.986 174.900 0.015 0.000 1.024 247 G CA -0.134 44.973 45.100 0.013 0.000 0.755 247 G HN 0.239 nan 8.290 nan 0.000 0.507 248 I N -0.465 120.118 120.570 0.022 0.000 2.529 248 I HA 0.230 4.451 4.170 0.085 0.000 0.284 248 I C 1.404 177.498 176.117 -0.038 0.000 1.082 248 I CA 0.176 61.494 61.300 0.029 0.000 1.406 248 I CB 1.154 39.198 38.000 0.073 0.000 1.405 248 I HN 0.088 nan 8.210 nan 0.000 0.548 249 K N 3.850 124.187 120.400 -0.105 0.000 2.435 249 K HA 0.220 4.591 4.320 0.085 0.000 0.199 249 K C -0.183 176.147 176.600 -0.450 0.000 1.153 249 K CA 0.093 56.188 56.287 -0.321 0.000 0.974 249 K CB 0.540 32.727 32.500 -0.521 0.000 0.997 249 K HN 0.527 nan 8.250 nan 0.000 0.547 250 H N 0.424 119.562 119.070 0.113 0.000 2.600 250 H HA 0.349 4.954 4.556 0.083 0.000 0.357 250 H C -0.810 174.583 175.328 0.108 0.000 1.106 250 H CA -0.682 55.447 56.048 0.134 0.000 1.193 250 H CB 1.984 31.915 29.762 0.283 0.000 1.594 250 H HN -0.120 nan 8.280 nan 0.000 0.526 251 I N 2.459 123.095 120.570 0.111 0.000 2.465 251 I HA 0.136 4.357 4.170 0.085 0.000 0.291 251 I C 0.228 176.548 176.117 0.338 0.000 1.014 251 I CA -0.259 61.170 61.300 0.215 0.000 1.093 251 I CB 1.732 39.839 38.000 0.179 0.000 1.267 251 I HN 0.607 nan 8.210 nan 0.000 0.431 252 H N 7.496 126.770 119.070 0.340 0.000 2.481 252 H HA 0.434 5.040 4.556 0.084 0.000 0.333 252 H C -1.246 174.381 175.328 0.498 0.000 1.066 252 H CA -0.728 55.582 56.048 0.437 0.000 1.209 252 H CB 1.775 31.803 29.762 0.443 0.000 1.445 252 H HN 0.419 nan 8.280 nan 0.000 0.488 253 M N 6.976 126.799 119.600 0.371 0.000 2.321 253 M HA 0.236 4.767 4.480 0.085 0.000 0.315 253 M C -1.922 174.468 176.300 0.150 0.000 1.052 253 M CA -0.715 54.743 55.300 0.262 0.000 0.936 253 M CB 1.197 34.070 32.600 0.455 0.000 1.639 253 M HN 0.804 nan 8.290 nan 0.000 0.433 254 Y N 1.547 121.836 120.300 -0.018 0.000 2.744 254 Y HA 0.741 5.340 4.550 0.083 0.000 0.330 254 Y C -1.685 174.258 175.900 0.073 0.000 1.263 254 Y CA -1.260 56.830 58.100 -0.017 0.000 1.065 254 Y CB 0.811 39.237 38.460 -0.057 0.000 1.306 254 Y HN 0.569 nan 8.280 nan 0.000 0.459 255 C N 1.360 120.750 119.300 0.149 0.000 2.358 255 C HA 0.371 4.882 4.460 0.085 0.000 0.342 255 C C 1.734 176.840 174.990 0.193 0.000 1.234 255 C CA -0.437 58.621 59.018 0.066 0.000 1.969 255 C CB 1.407 29.208 27.740 0.102 0.000 2.346 255 C HN 0.874 nan 8.230 nan 0.000 0.525 256 V N 2.674 122.635 119.914 0.077 0.000 2.688 256 V HA -0.159 4.012 4.120 0.085 0.000 0.256 256 V C 1.919 178.086 176.094 0.122 0.000 1.084 256 V CA 2.708 65.101 62.300 0.155 0.000 1.103 256 V CB -0.511 31.322 31.823 0.016 0.000 0.688 256 V HN 1.053 nan 8.190 nan 0.000 0.480 257 D N -0.504 119.941 120.400 0.074 0.000 2.363 257 D HA -0.081 4.609 4.640 0.085 0.000 0.220 257 D C 0.890 177.206 176.300 0.027 0.000 0.994 257 D CA 0.150 54.158 54.000 0.013 0.000 0.890 257 D CB -0.755 40.027 40.800 -0.030 0.000 0.906 257 D HN 0.495 nan 8.370 nan 0.000 0.530 258 N N 0.768 119.539 118.700 0.118 0.000 2.439 258 N HA -0.009 4.781 4.740 0.085 0.000 0.243 258 N C 1.111 176.668 175.510 0.078 0.000 1.088 258 N CA -0.423 52.676 53.050 0.082 0.000 0.940 258 N CB 0.528 39.148 38.487 0.220 0.000 1.180 258 N HN 0.286 nan 8.380 nan 0.000 0.505 259 C N 2.905 122.225 119.300 0.034 0.000 2.449 259 C HA 0.122 4.633 4.460 0.085 0.000 0.283 259 C C 1.587 176.673 174.990 0.161 0.000 1.453 259 C CA -0.071 59.004 59.018 0.094 0.000 1.779 259 C CB -1.337 26.446 27.740 0.071 0.000 1.779 259 C HN 0.721 nan 8.230 nan 0.000 0.546 260 L N 0.513 121.778 121.223 0.070 0.000 2.640 260 L HA 0.250 4.641 4.340 0.085 0.000 0.230 260 L C 1.246 178.100 176.870 -0.026 0.000 1.123 260 L CA -0.182 54.658 54.840 -0.000 0.000 0.900 260 L CB -0.212 41.819 42.059 -0.046 0.000 1.146 260 L HN 0.182 nan 8.230 nan 0.000 0.484 261 V N 2.343 122.252 119.914 -0.009 0.000 2.625 261 V HA -0.130 4.041 4.120 0.085 0.000 0.305 261 V C 0.648 176.656 176.094 -0.144 0.000 1.055 261 V CA 0.417 62.667 62.300 -0.084 0.000 1.209 261 V CB 0.292 31.977 31.823 -0.230 0.000 0.877 261 V HN 0.281 nan 8.190 nan 0.000 0.489 262 K N 6.286 126.627 120.400 -0.099 0.000 2.171 262 K HA 0.282 4.653 4.320 0.085 0.000 0.274 262 K C -0.471 176.179 176.600 0.084 0.000 1.110 262 K CA -0.393 55.834 56.287 -0.100 0.000 0.952 262 K CB 0.776 33.281 32.500 0.009 0.000 1.309 262 K HN 0.634 nan 8.250 nan 0.000 0.414 263 V N 2.358 122.297 119.914 0.042 0.000 2.529 263 V HA -0.012 4.159 4.120 0.085 0.000 0.292 263 V C 1.005 177.303 176.094 0.339 0.000 1.028 263 V CA 0.435 62.820 62.300 0.142 0.000 1.074 263 V CB 0.524 32.354 31.823 0.011 0.000 0.958 263 V HN 0.972 nan 8.190 nan 0.000 0.481 264 A N 3.819 126.951 122.820 0.520 0.000 2.822 264 A HA -0.194 4.177 4.320 0.085 0.000 0.287 264 A C 0.572 178.218 177.584 0.104 0.000 1.479 264 A CA 0.790 52.998 52.037 0.285 0.000 0.779 264 A CB -1.828 17.303 19.000 0.218 0.000 1.022 264 A HN 1.121 nan 8.150 nan 0.000 0.532 265 D N 0.082 120.509 120.400 0.044 0.000 2.502 265 D HA 0.144 4.835 4.640 0.085 0.000 0.249 265 D C -0.010 176.314 176.300 0.040 0.000 1.188 265 D CA -0.607 53.456 54.000 0.104 0.000 0.890 265 D CB 0.715 41.567 40.800 0.087 0.000 1.140 265 D HN 0.358 nan 8.370 nan 0.000 0.505 266 P HA -0.130 nan 4.420 nan 0.000 0.220 266 P C 1.811 179.120 177.300 0.014 0.000 1.148 266 P CA 0.767 63.840 63.100 -0.044 0.000 0.803 266 P CB 0.326 31.954 31.700 -0.120 0.000 0.782 267 I N -1.615 119.004 120.570 0.081 0.000 2.252 267 I HA -0.215 4.006 4.170 0.085 0.000 0.245 267 I C 2.453 178.707 176.117 0.230 0.000 1.102 267 I CA 1.176 62.587 61.300 0.186 0.000 1.385 267 I CB -0.594 37.507 38.000 0.167 0.000 1.064 267 I HN -0.154 nan 8.210 nan 0.000 0.414 268 F N 1.721 121.663 119.950 -0.013 0.000 2.128 268 F HA -0.123 4.449 4.527 0.076 0.000 0.295 268 F C 2.239 177.981 175.800 -0.097 0.000 1.100 268 F CA 1.397 59.381 58.000 -0.026 0.000 1.260 268 F CB -0.460 38.502 39.000 -0.064 0.000 1.009 268 F HN -0.098 nan 8.300 nan 0.000 0.476 269 I N -0.069 120.422 120.570 -0.132 0.000 2.226 269 I HA -0.215 4.005 4.170 0.085 0.000 0.245 269 I C 2.727 178.577 176.117 -0.444 0.000 1.100 269 I CA 1.435 62.525 61.300 -0.349 0.000 1.374 269 I CB -1.252 36.642 38.000 -0.175 0.000 1.057 269 I HN 0.242 nan 8.210 nan 0.000 0.413 270 G N 0.628 109.269 108.800 -0.264 0.000 2.422 270 G HA2 -0.311 3.700 3.960 0.085 0.000 0.218 270 G HA3 -0.311 3.700 3.960 0.085 0.000 0.218 270 G C 1.585 176.106 174.900 -0.632 0.000 1.146 270 G CA 0.450 45.367 45.100 -0.305 0.000 0.769 270 G HN 0.324 nan 8.290 nan 0.000 0.547 271 F N 2.683 122.094 119.950 -0.898 0.000 2.095 271 F HA -0.021 4.550 4.527 0.073 0.000 0.298 271 F C 2.705 177.897 175.800 -1.012 0.000 1.104 271 F CA 1.300 58.478 58.000 -1.369 0.000 1.232 271 F CB -0.642 37.880 39.000 -0.796 0.000 0.987 271 F HN 0.227 nan 8.300 nan 0.000 0.475 272 A N 0.634 122.881 122.820 -0.956 0.000 1.902 272 A HA -0.125 4.246 4.320 0.085 0.000 0.217 272 A C 2.400 179.452 177.584 -0.886 0.000 1.181 272 A CA 1.903 53.273 52.037 -1.112 0.000 0.623 272 A CB -1.210 16.732 19.000 -1.764 0.000 0.818 272 A HN 0.512 nan 8.150 nan 0.000 0.443 273 I N -0.370 119.767 120.570 -0.722 0.000 2.202 273 I HA -0.256 3.965 4.170 0.085 0.000 0.242 273 I C 2.979 178.825 176.117 -0.452 0.000 1.091 273 I CA 1.026 62.045 61.300 -0.468 0.000 1.368 273 I CB -0.316 37.456 38.000 -0.379 0.000 1.058 273 I HN 0.354 nan 8.210 nan 0.000 0.410 274 A N 0.526 123.016 122.820 -0.551 0.000 1.933 274 A HA -0.173 4.198 4.320 0.085 0.000 0.218 274 A C 2.110 179.383 177.584 -0.518 0.000 1.175 274 A CA 1.507 53.276 52.037 -0.446 0.000 0.628 274 A CB -0.239 18.481 19.000 -0.467 0.000 0.814 274 A HN 0.245 nan 8.150 nan 0.000 0.444 275 K N -0.641 119.233 120.400 -0.876 0.000 2.404 275 K HA 0.107 4.478 4.320 0.085 0.000 0.194 275 K C -0.287 175.755 176.600 -0.930 0.000 1.023 275 K CA 0.289 55.927 56.287 -1.082 0.000 1.094 275 K CB 0.160 31.395 32.500 -2.109 0.000 0.841 275 K HN 0.567 nan 8.250 nan 0.000 0.523 276 K N 0.743 120.745 120.400 -0.663 0.000 3.150 276 K HA -0.159 4.211 4.320 0.085 0.000 0.267 276 K C -0.572 175.881 176.600 -0.245 0.000 1.028 276 K CA 0.353 56.427 56.287 -0.355 0.000 0.753 276 K CB -2.039 30.333 32.500 -0.212 0.000 1.288 276 K HN 0.129 nan 8.250 nan 0.000 0.473 277 F N 0.063 119.808 119.950 -0.341 0.000 2.389 277 F HA 0.050 4.612 4.527 0.058 0.000 0.337 277 F C 1.807 177.510 175.800 -0.161 0.000 1.112 277 F CA -0.946 56.863 58.000 -0.319 0.000 1.192 277 F CB 0.778 39.474 39.000 -0.506 0.000 1.185 277 F HN 0.010 nan 8.300 nan 0.000 0.552 278 D N 1.347 121.726 120.400 -0.035 0.000 2.240 278 D HA 0.123 4.814 4.640 0.085 0.000 0.206 278 D C -0.190 175.976 176.300 -0.224 0.000 0.963 278 D CA 0.985 54.830 54.000 -0.257 0.000 0.863 278 D CB 0.603 40.865 40.800 -0.897 0.000 0.973 278 D HN 0.213 nan 8.370 nan 0.000 0.501 279 L N -0.350 120.742 121.223 -0.218 0.000 2.513 279 L HA 0.607 4.998 4.340 0.085 0.000 0.261 279 L C -1.918 174.715 176.870 -0.394 0.000 0.945 279 L CA -0.465 54.260 54.840 -0.192 0.000 0.848 279 L CB 1.991 43.942 42.059 -0.179 0.000 1.334 279 L HN -0.104 nan 8.230 nan 0.000 0.407 280 A N 2.100 124.738 122.820 -0.302 0.000 2.569 280 A HA 0.900 5.270 4.320 0.085 0.000 0.290 280 A C -1.092 176.468 177.584 -0.040 0.000 1.136 280 A CA -0.379 51.391 52.037 -0.444 0.000 0.710 280 A CB 2.242 21.133 19.000 -0.182 0.000 1.303 280 A HN 0.582 nan 8.150 nan 0.000 0.413 281 T N -0.287 114.307 114.554 0.067 0.000 2.868 281 T HA 0.550 4.951 4.350 0.085 0.000 0.306 281 T C -1.306 173.488 174.700 0.156 0.000 1.224 281 T CA -0.530 61.779 62.100 0.347 0.000 1.012 281 T CB 1.213 70.234 68.868 0.255 0.000 1.221 281 T HN 0.616 nan 8.240 nan 0.000 0.499 282 K N 1.510 121.895 120.400 -0.025 0.000 2.156 282 K HA 0.780 5.151 4.320 0.085 0.000 0.254 282 K C -0.712 175.806 176.600 -0.138 0.000 0.950 282 K CA -0.814 55.319 56.287 -0.256 0.000 0.849 282 K CB 1.871 34.093 32.500 -0.463 0.000 1.100 282 K HN 0.519 nan 8.250 nan 0.000 0.434 283 V N -1.427 118.392 119.914 -0.159 0.000 3.159 283 V HA 0.738 4.908 4.120 0.085 0.000 0.308 283 V C -0.788 175.208 176.094 -0.164 0.000 1.190 283 V CA -0.984 61.226 62.300 -0.150 0.000 1.037 283 V CB 1.692 33.461 31.823 -0.090 0.000 1.060 283 V HN 0.549 nan 8.190 nan 0.000 0.437 284 V N -0.543 119.272 119.914 -0.166 0.000 2.914 284 V HA 0.707 4.878 4.120 0.085 0.000 0.314 284 V C 0.004 176.047 176.094 -0.086 0.000 1.084 284 V CA -1.064 61.164 62.300 -0.119 0.000 0.963 284 V CB 1.722 33.482 31.823 -0.105 0.000 1.025 284 V HN 1.309 nan 8.190 nan 0.000 0.432 285 R N 2.306 122.771 120.500 -0.059 0.000 2.484 285 R HA 0.212 4.603 4.340 0.085 0.000 0.293 285 R C 0.059 176.339 176.300 -0.033 0.000 1.023 285 R CA -0.154 55.919 56.100 -0.045 0.000 1.037 285 R CB 0.460 30.740 30.300 -0.034 0.000 0.951 285 R HN 0.916 nan 8.270 nan 0.000 0.418 286 K N 4.814 125.195 120.400 -0.032 0.000 2.285 286 K HA 0.080 4.450 4.320 0.085 0.000 0.286 286 K C 0.270 176.866 176.600 -0.008 0.000 1.072 286 K CA -0.220 56.056 56.287 -0.019 0.000 0.913 286 K CB 0.744 33.230 32.500 -0.024 0.000 1.067 286 K HN 0.682 nan 8.250 nan 0.000 0.479 287 R N 1.989 122.489 120.500 -0.001 0.000 2.175 287 R HA 0.004 4.395 4.340 0.085 0.000 0.202 287 R C 0.129 176.434 176.300 0.009 0.000 1.018 287 R CA 1.034 57.135 56.100 0.003 0.000 1.029 287 R CB 0.347 30.648 30.300 0.001 0.000 0.959 287 R HN 0.763 nan 8.270 nan 0.000 0.480 288 D N 0.051 120.457 120.400 0.010 0.000 2.329 288 D HA 0.460 5.151 4.640 0.085 0.000 0.232 288 D C 0.741 177.050 176.300 0.014 0.000 1.088 288 D CA 0.079 54.086 54.000 0.013 0.000 0.835 288 D CB 1.343 42.151 40.800 0.013 0.000 1.078 288 D HN 0.226 nan 8.370 nan 0.000 0.495 289 A N 1.349 124.180 122.820 0.018 0.000 2.194 289 A HA -0.020 4.351 4.320 0.085 0.000 0.220 289 A C 2.209 179.804 177.584 0.019 0.000 1.162 289 A CA 2.489 54.539 52.037 0.022 0.000 0.674 289 A CB -0.947 18.070 19.000 0.028 0.000 0.789 289 A HN 1.051 nan 8.150 nan 0.000 0.470 290 N N -0.311 118.399 118.700 0.017 0.000 2.392 290 N HA 0.072 4.863 4.740 0.085 0.000 0.177 290 N C 0.769 176.287 175.510 0.014 0.000 1.066 290 N CA 0.582 53.642 53.050 0.016 0.000 0.895 290 N CB -0.290 38.207 38.487 0.015 0.000 0.988 290 N HN 0.772 nan 8.380 nan 0.000 0.457 291 E N 0.487 120.695 120.200 0.014 0.000 2.502 291 E HA 0.248 4.649 4.350 0.085 0.000 0.261 291 E C -0.040 176.566 176.600 0.011 0.000 0.974 291 E CA 0.282 56.691 56.400 0.015 0.000 0.936 291 E CB 0.231 29.940 29.700 0.016 0.000 0.926 291 E HN 0.540 nan 8.360 nan 0.000 0.459 292 S N 4.501 120.210 115.700 0.015 0.000 2.955 292 S HA 0.385 4.905 4.470 0.085 0.000 0.294 292 S C -0.545 174.060 174.600 0.008 0.000 1.198 292 S CA -0.448 57.758 58.200 0.011 0.000 1.008 292 S CB 0.569 63.778 63.200 0.015 0.000 1.279 292 S HN 0.302 nan 8.310 nan 0.000 0.508 293 V N 2.146 122.054 119.914 -0.010 0.000 3.120 293 V HA 0.850 5.021 4.120 0.085 0.000 0.303 293 V C 0.361 176.413 176.094 -0.071 0.000 1.238 293 V CA -0.250 62.033 62.300 -0.027 0.000 1.008 293 V CB 1.913 33.726 31.823 -0.018 0.000 1.064 293 V HN 0.874 nan 8.190 nan 0.000 0.434 294 G N 3.966 112.699 108.800 -0.111 0.000 2.491 294 G HA2 0.530 4.541 3.960 0.085 0.000 0.242 294 G HA3 0.530 4.541 3.960 0.085 0.000 0.242 294 G C -0.938 173.849 174.900 -0.188 0.000 1.266 294 G CA -0.316 44.670 45.100 -0.190 0.000 0.844 294 G HN 0.786 nan 8.290 nan 0.000 0.571 295 L N 1.400 122.494 121.223 -0.216 0.000 2.365 295 L HA 0.449 4.840 4.340 0.085 0.000 0.273 295 L C -0.054 176.695 176.870 -0.202 0.000 1.000 295 L CA -0.806 53.925 54.840 -0.182 0.000 0.819 295 L CB 2.286 44.248 42.059 -0.161 0.000 1.284 295 L HN 0.336 nan 8.230 nan 0.000 0.418 296 I N 4.062 124.557 120.570 -0.124 0.000 2.312 296 I HA 0.381 4.602 4.170 0.085 0.000 0.291 296 I C 0.036 176.099 176.117 -0.089 0.000 1.031 296 I CA -0.481 60.779 61.300 -0.066 0.000 1.293 296 I CB 1.231 39.271 38.000 0.067 0.000 1.403 296 I HN 0.359 nan 8.210 nan 0.000 0.484 297 V N 4.600 124.438 119.914 -0.127 0.000 3.156 297 V HA 0.606 4.776 4.120 0.085 0.000 0.310 297 V C -1.021 175.039 176.094 -0.056 0.000 1.234 297 V CA -1.072 61.164 62.300 -0.107 0.000 1.065 297 V CB 2.197 33.920 31.823 -0.166 0.000 1.088 297 V HN 0.516 nan 8.190 nan 0.000 0.451 298 L N 2.041 123.272 121.223 0.013 0.000 2.282 298 L HA 0.642 5.032 4.340 0.085 0.000 0.288 298 L C -0.390 176.582 176.870 0.171 0.000 1.033 298 L CA 0.190 55.057 54.840 0.045 0.000 0.807 298 L CB 1.024 43.107 42.059 0.040 0.000 1.209 298 L HN 0.937 nan 8.230 nan 0.000 0.423 299 D N 3.600 124.107 120.400 0.179 0.000 2.339 299 D HA 0.092 4.783 4.640 0.085 0.000 0.241 299 D C 0.589 176.954 176.300 0.109 0.000 1.183 299 D CA 0.213 54.371 54.000 0.264 0.000 0.859 299 D CB 1.170 42.112 40.800 0.237 0.000 1.067 299 D HN 0.700 nan 8.370 nan 0.000 0.484 300 Q N 2.245 122.086 119.800 0.068 0.000 2.291 300 Q HA -0.114 4.277 4.340 0.085 0.000 0.205 300 Q C 0.628 176.631 176.000 0.004 0.000 0.970 300 Q CA 0.873 56.694 55.803 0.031 0.000 0.876 300 Q CB 0.403 29.155 28.738 0.023 0.000 0.935 300 Q HN 0.547 nan 8.270 nan 0.000 0.455 301 D N 0.584 120.972 120.400 -0.021 0.000 2.117 301 D HA -0.131 4.560 4.640 0.085 0.000 0.198 301 D C 1.166 177.468 176.300 0.002 0.000 0.982 301 D CA 1.343 55.330 54.000 -0.023 0.000 0.828 301 D CB -0.229 40.541 40.800 -0.050 0.000 0.967 301 D HN 0.561 nan 8.370 nan 0.000 0.464 302 N N -0.419 118.293 118.700 0.019 0.000 2.205 302 N HA -0.044 4.747 4.740 0.085 0.000 0.201 302 N C -0.287 175.243 175.510 0.033 0.000 1.128 302 N CA -0.140 52.926 53.050 0.028 0.000 0.867 302 N CB 0.465 38.974 38.487 0.036 0.000 0.996 302 N HN -0.271 nan 8.380 nan 0.000 0.503 303 Q N 0.211 120.031 119.800 0.032 0.000 2.453 303 Q HA -0.138 4.253 4.340 0.085 0.000 0.294 303 Q C -0.971 175.041 176.000 0.020 0.000 1.295 303 Q CA 1.199 57.020 55.803 0.030 0.000 0.853 303 Q CB -0.961 27.794 28.738 0.028 0.000 1.193 303 Q HN 0.551 nan 8.270 nan 0.000 0.461 304 K N 0.326 120.736 120.400 0.018 0.000 2.385 304 K HA 0.584 4.955 4.320 0.085 0.000 0.248 304 K C -2.373 174.183 176.600 -0.074 0.000 0.955 304 K CA -1.974 54.303 56.287 -0.017 0.000 0.816 304 K CB 1.992 34.505 32.500 0.023 0.000 1.250 304 K HN -0.124 nan 8.250 nan 0.000 0.434 305 P HA 0.271 nan 4.420 nan 0.000 0.277 305 P C -0.290 176.873 177.300 -0.228 0.000 1.240 305 P CA -0.334 62.522 63.100 -0.407 0.000 0.798 305 P CB 0.725 31.716 31.700 -1.182 0.000 0.979 306 C N -0.287 118.938 119.300 -0.126 0.000 3.306 306 C HA 0.634 5.145 4.460 0.085 0.000 0.335 306 C C -1.045 173.901 174.990 -0.073 0.000 1.382 306 C CA -0.737 58.282 59.018 0.002 0.000 1.254 306 C CB 0.936 28.691 27.740 0.025 0.000 1.555 306 C HN 0.338 nan 8.230 nan 0.000 0.463 307 V N 2.317 122.127 119.914 -0.175 0.000 2.459 307 V HA 0.657 4.828 4.120 0.085 0.000 0.295 307 V C 0.134 175.974 176.094 -0.423 0.000 1.029 307 V CA -0.190 61.852 62.300 -0.430 0.000 0.874 307 V CB 1.354 32.554 31.823 -1.038 0.000 0.985 307 V HN 0.923 nan 8.190 nan 0.000 0.438 308 I N 1.442 121.762 120.570 -0.417 0.000 2.569 308 I HA 0.825 5.046 4.170 0.085 0.000 0.296 308 I C 0.018 175.987 176.117 -0.247 0.000 1.028 308 I CA -0.666 60.427 61.300 -0.346 0.000 1.082 308 I CB 2.268 39.912 38.000 -0.592 0.000 1.264 308 I HN 0.614 nan 8.210 nan 0.000 0.429 309 E N 2.577 122.705 120.200 -0.119 0.000 2.318 309 E HA 0.295 4.696 4.350 0.085 0.000 0.265 309 E C 1.150 177.725 176.600 -0.042 0.000 1.069 309 E CA 0.213 56.573 56.400 -0.066 0.000 0.893 309 E CB 0.214 29.926 29.700 0.020 0.000 1.076 309 E HN 0.873 nan 8.360 nan 0.000 0.414 310 Y N 0.133 120.415 120.300 -0.029 0.000 2.181 310 Y HA -0.241 4.360 4.550 0.085 0.000 0.284 310 Y C 2.695 178.607 175.900 0.020 0.000 1.179 310 Y CA 2.282 60.377 58.100 -0.008 0.000 1.179 310 Y CB -1.620 36.840 38.460 0.000 0.000 0.973 310 Y HN 0.768 nan 8.280 nan 0.000 0.519 311 S N -0.318 115.402 115.700 0.034 0.000 2.368 311 S HA -0.208 4.313 4.470 0.085 0.000 0.225 311 S C 1.400 176.043 174.600 0.071 0.000 1.030 311 S CA 1.295 59.526 58.200 0.053 0.000 0.999 311 S CB -0.477 62.762 63.200 0.064 0.000 0.844 311 S HN 0.876 nan 8.310 nan 0.000 0.459 312 E N 0.738 120.987 120.200 0.081 0.000 2.515 312 E HA 0.083 4.484 4.350 0.085 0.000 0.201 312 E C 0.470 177.175 176.600 0.175 0.000 1.071 312 E CA 0.496 56.977 56.400 0.136 0.000 0.880 312 E CB -0.542 29.251 29.700 0.155 0.000 0.828 312 E HN 0.620 nan 8.360 nan 0.000 0.540 313 I N 0.354 120.993 120.570 0.114 0.000 2.530 313 I HA 0.619 4.840 4.170 0.085 0.000 0.297 313 I C 0.536 176.708 176.117 0.093 0.000 1.011 313 I CA -0.754 60.622 61.300 0.128 0.000 1.107 313 I CB 1.040 39.095 38.000 0.092 0.000 1.285 313 I HN 0.081 nan 8.210 nan 0.000 0.436 314 S N 2.348 118.104 115.700 0.094 0.000 2.576 314 S HA 0.515 5.036 4.470 0.085 0.000 0.276 314 S C 1.420 176.054 174.600 0.057 0.000 1.339 314 S CA 0.434 58.673 58.200 0.066 0.000 1.039 314 S CB 0.335 63.569 63.200 0.058 0.000 0.902 314 S HN 2.072 nan 8.310 nan 0.000 0.516 315 Q N 0.511 120.337 119.800 0.044 0.000 2.197 315 Q HA -0.053 4.338 4.340 0.085 0.000 0.207 315 Q C 2.175 178.198 176.000 0.038 0.000 0.984 315 Q CA 2.840 58.666 55.803 0.038 0.000 0.869 315 Q CB -1.945 26.811 28.738 0.029 0.000 0.906 315 Q HN 1.218 nan 8.270 nan 0.000 0.426 316 E N 0.354 120.576 120.200 0.036 0.000 2.031 316 E HA -0.030 4.371 4.350 0.085 0.000 0.193 316 E C 2.090 178.716 176.600 0.043 0.000 0.994 316 E CA 1.592 58.011 56.400 0.031 0.000 0.800 316 E CB -0.733 28.980 29.700 0.022 0.000 0.752 316 E HN 0.710 nan 8.360 nan 0.000 0.447 317 L N 0.427 121.688 121.223 0.064 0.000 2.141 317 L HA 0.208 4.599 4.340 0.085 0.000 0.209 317 L C 2.701 179.639 176.870 0.114 0.000 1.094 317 L CA 2.149 57.049 54.840 0.100 0.000 0.763 317 L CB -0.700 41.440 42.059 0.136 0.000 0.908 317 L HN 0.344 nan 8.230 nan 0.000 0.437 318 A N -0.740 122.130 122.820 0.084 0.000 1.969 318 A HA -0.156 4.215 4.320 0.085 0.000 0.218 318 A C 2.065 179.688 177.584 0.065 0.000 1.169 318 A CA 1.706 53.785 52.037 0.069 0.000 0.635 318 A CB -0.566 18.464 19.000 0.049 0.000 0.810 318 A HN 0.622 nan 8.150 nan 0.000 0.445 319 N N -0.490 118.244 118.700 0.057 0.000 2.405 319 N HA -0.040 4.751 4.740 0.085 0.000 0.175 319 N C 0.530 176.071 175.510 0.052 0.000 1.051 319 N CA 0.334 53.412 53.050 0.047 0.000 0.899 319 N CB 0.046 38.553 38.487 0.032 0.000 1.000 319 N HN 0.299 nan 8.380 nan 0.000 0.451 320 K N 2.139 122.575 120.400 0.059 0.000 2.530 320 K HA -0.045 4.326 4.320 0.085 0.000 0.280 320 K C 0.025 176.676 176.600 0.085 0.000 1.004 320 K CA 0.157 56.468 56.287 0.040 0.000 1.071 320 K CB 0.019 32.527 32.500 0.013 0.000 0.876 320 K HN -0.016 nan 8.250 nan 0.000 0.487 321 K N 2.875 123.303 120.400 0.047 0.000 2.090 321 K HA 0.229 4.600 4.320 0.085 0.000 0.249 321 K C -0.054 176.613 176.600 0.112 0.000 0.995 321 K CA -0.542 55.793 56.287 0.080 0.000 0.914 321 K CB 1.150 33.676 32.500 0.043 0.000 1.057 321 K HN 0.900 nan 8.250 nan 0.000 0.462 322 D N 0.905 121.409 120.400 0.173 0.000 2.351 322 D HA 0.169 4.860 4.640 0.085 0.000 0.251 322 D C -1.701 174.669 176.300 0.117 0.000 1.137 322 D CA -2.094 52.057 54.000 0.252 0.000 0.879 322 D CB 1.563 42.493 40.800 0.217 0.000 1.181 322 D HN 0.063 nan 8.370 nan 0.000 0.448 323 P HA -0.092 nan 4.420 nan 0.000 0.219 323 P C 0.516 177.844 177.300 0.046 0.000 1.146 323 P CA 1.202 64.320 63.100 0.028 0.000 0.808 323 P CB 0.268 31.970 31.700 0.004 0.000 0.779 324 Q N -1.514 118.330 119.800 0.073 0.000 2.280 324 Q HA 0.094 4.485 4.340 0.085 0.000 0.201 324 Q C -0.104 175.924 176.000 0.047 0.000 0.890 324 Q CA 0.193 56.030 55.803 0.056 0.000 0.947 324 Q CB 0.333 29.109 28.738 0.063 0.000 1.081 324 Q HN 0.117 nan 8.270 nan 0.000 0.502 325 D N -0.881 119.549 120.400 0.050 0.000 2.686 325 D HA 0.044 4.734 4.640 0.085 0.000 0.229 325 D C 0.339 176.665 176.300 0.043 0.000 1.391 325 D CA 0.301 54.324 54.000 0.039 0.000 0.948 325 D CB 0.013 40.836 40.800 0.037 0.000 1.513 325 D HN 0.099 nan 8.370 nan 0.000 0.522 326 S N 0.597 116.317 115.700 0.032 0.000 2.484 326 S HA -0.196 4.325 4.470 0.085 0.000 0.250 326 S C 1.713 176.331 174.600 0.029 0.000 0.995 326 S CA 2.040 60.257 58.200 0.029 0.000 0.967 326 S CB -0.207 63.003 63.200 0.017 0.000 0.752 326 S HN 0.449 nan 8.310 nan 0.000 0.517 327 S N -0.473 115.243 115.700 0.027 0.000 2.528 327 S HA 0.205 4.726 4.470 0.085 0.000 0.219 327 S C 0.554 175.169 174.600 0.026 0.000 0.985 327 S CA -0.188 58.025 58.200 0.022 0.000 0.914 327 S CB 0.115 63.324 63.200 0.015 0.000 0.776 327 S HN 0.544 nan 8.310 nan 0.000 0.526 328 K N 0.815 121.237 120.400 0.037 0.000 2.156 328 K HA 0.531 4.902 4.320 0.085 0.000 0.250 328 K C -0.707 175.930 176.600 0.063 0.000 0.955 328 K CA -0.731 55.579 56.287 0.039 0.000 0.855 328 K CB 1.558 34.079 32.500 0.034 0.000 1.101 328 K HN 0.164 nan 8.250 nan 0.000 0.434 329 L N 2.311 123.568 121.223 0.057 0.000 2.436 329 L HA 0.095 4.486 4.340 0.085 0.000 0.265 329 L C 1.299 178.248 176.870 0.131 0.000 1.168 329 L CA -0.132 54.761 54.840 0.088 0.000 0.815 329 L CB 0.172 42.266 42.059 0.058 0.000 1.109 329 L HN 0.671 nan 8.230 nan 0.000 0.462 330 F N 2.535 122.491 119.950 0.011 0.000 2.113 330 F HA -0.028 4.555 4.527 0.093 0.000 0.297 330 F C 0.946 176.755 175.800 0.015 0.000 1.103 330 F CA 1.071 59.081 58.000 0.016 0.000 1.248 330 F CB 0.162 39.175 39.000 0.023 0.000 0.999 330 F HN 0.167 nan 8.300 nan 0.000 0.475 331 L N 2.422 123.639 121.223 -0.009 0.000 2.297 331 L HA 0.336 4.727 4.340 0.085 0.000 0.277 331 L C 0.518 177.352 176.870 -0.061 0.000 1.040 331 L CA -0.226 54.548 54.840 -0.110 0.000 0.867 331 L CB 0.769 42.811 42.059 -0.028 0.000 1.244 331 L HN 0.189 nan 8.230 nan 0.000 0.433 332 R N 1.528 121.977 120.500 -0.086 0.000 2.572 332 R HA 0.378 4.769 4.340 0.085 0.000 0.370 332 R C 0.244 176.502 176.300 -0.069 0.000 1.005 332 R CA -0.312 55.753 56.100 -0.057 0.000 1.146 332 R CB 0.583 30.861 30.300 -0.038 0.000 1.390 332 R HN 0.400 nan 8.270 nan 0.000 0.553 333 A N 1.889 124.658 122.820 -0.084 0.000 2.915 333 A HA 0.596 4.967 4.320 0.085 0.000 0.292 333 A C 0.419 177.950 177.584 -0.088 0.000 1.632 333 A CA -0.342 51.647 52.037 -0.079 0.000 1.337 333 A CB -0.311 18.650 19.000 -0.065 0.000 1.111 333 A HN 0.472 nan 8.150 nan 0.000 0.569 334 A N 2.775 125.536 122.820 -0.098 0.000 2.451 334 A HA 0.365 4.736 4.320 0.085 0.000 0.266 334 A C 0.523 178.012 177.584 -0.158 0.000 1.119 334 A CA -0.425 51.540 52.037 -0.119 0.000 0.786 334 A CB -0.268 18.667 19.000 -0.108 0.000 1.061 334 A HN 0.797 nan 8.150 nan 0.000 0.503 335 N N 2.045 120.658 118.700 -0.144 0.000 2.452 335 N HA 0.160 4.951 4.740 0.085 0.000 0.266 335 N C 0.391 175.765 175.510 -0.226 0.000 1.209 335 N CA -0.010 52.970 53.050 -0.117 0.000 0.929 335 N CB 0.176 38.609 38.487 -0.090 0.000 1.063 335 N HN 0.590 nan 8.380 nan 0.000 0.472 336 I N 0.652 121.043 120.570 -0.299 0.000 3.889 336 I HA 0.285 4.506 4.170 0.085 0.000 0.332 336 I C -0.276 175.727 176.117 -0.191 0.000 1.493 336 I CA -0.699 60.268 61.300 -0.555 0.000 1.158 336 I CB 0.080 37.475 38.000 -1.009 0.000 1.117 336 I HN 0.137 nan 8.210 nan 0.000 0.411 337 V N 1.697 121.591 119.914 -0.035 0.000 5.915 337 V HA -0.282 3.889 4.120 0.085 0.000 0.250 337 V C -0.241 175.679 176.094 -0.291 0.000 0.647 337 V CA 1.270 63.538 62.300 -0.055 0.000 0.573 337 V CB -2.239 29.631 31.823 0.078 0.000 0.266 337 V HN 0.934 nan 8.190 nan 0.000 0.580 338 N N 2.243 120.645 118.700 -0.498 0.000 2.594 338 N HA 0.364 5.155 4.740 0.085 0.000 0.280 338 N C -0.922 174.601 175.510 0.022 0.000 1.156 338 N CA -0.411 52.550 53.050 -0.148 0.000 0.831 338 N CB 1.315 39.793 38.487 -0.016 0.000 1.379 338 N HN 0.625 nan 8.380 nan 0.000 0.536 339 H N 1.616 121.029 119.070 0.571 0.000 2.797 339 H HA 0.307 4.914 4.556 0.085 0.000 0.372 339 H C -1.195 174.468 175.328 0.558 0.000 1.168 339 H CA -0.409 55.969 56.048 0.550 0.000 1.163 339 H CB 1.716 31.655 29.762 0.295 0.000 1.778 339 H HN 0.493 nan 8.280 nan 0.000 0.551 340 Y N 1.412 121.824 120.300 0.187 0.000 2.393 340 Y HA 0.471 5.071 4.550 0.084 0.000 0.341 340 Y C -1.789 174.047 175.900 -0.107 0.000 0.988 340 Y CA -0.780 57.276 58.100 -0.074 0.000 1.078 340 Y CB 1.015 39.088 38.460 -0.644 0.000 1.203 340 Y HN 0.462 nan 8.280 nan 0.000 0.453 341 Y N 2.665 122.480 120.300 -0.808 0.000 2.492 341 Y HA 0.429 5.035 4.550 0.093 0.000 0.346 341 Y C -0.244 175.219 175.900 -0.729 0.000 0.997 341 Y CA -1.131 56.703 58.100 -0.444 0.000 1.025 341 Y CB 2.108 40.610 38.460 0.071 0.000 1.263 341 Y HN 0.651 nan 8.280 nan 0.000 0.454 342 S N 0.409 116.052 115.700 -0.094 0.000 2.562 342 S HA 0.317 4.838 4.470 0.085 0.000 0.275 342 S C 0.577 175.233 174.600 0.093 0.000 1.281 342 S CA -0.650 57.572 58.200 0.036 0.000 1.045 342 S CB 1.372 64.693 63.200 0.201 0.000 0.962 342 S HN 0.525 nan 8.310 nan 0.000 0.503 343 V N 2.640 122.557 119.914 0.005 0.000 2.490 343 V HA -0.129 4.042 4.120 0.085 0.000 0.250 343 V C 2.710 178.805 176.094 0.002 0.000 1.061 343 V CA 2.228 64.522 62.300 -0.009 0.000 1.064 343 V CB -1.111 30.681 31.823 -0.052 0.000 0.670 343 V HN 1.070 nan 8.190 nan 0.000 0.461 344 E N -0.276 119.939 120.200 0.026 0.000 2.077 344 E HA -0.275 4.126 4.350 0.085 0.000 0.193 344 E C 2.107 178.749 176.600 0.069 0.000 0.989 344 E CA 1.627 58.045 56.400 0.031 0.000 0.800 344 E CB -0.187 29.541 29.700 0.047 0.000 0.746 344 E HN 0.545 nan 8.360 nan 0.000 0.452 345 F N 1.260 121.193 119.950 -0.028 0.000 2.134 345 F HA -0.118 4.471 4.527 0.103 0.000 0.299 345 F C 1.914 177.634 175.800 -0.133 0.000 1.097 345 F CA 1.194 59.171 58.000 -0.037 0.000 1.264 345 F CB -0.239 38.807 39.000 0.077 0.000 1.001 345 F HN 0.012 nan 8.300 nan 0.000 0.479 346 L N -0.059 121.124 121.223 -0.067 0.000 2.046 346 L HA -0.272 4.119 4.340 0.085 0.000 0.208 346 L C 2.359 179.034 176.870 -0.324 0.000 1.077 346 L CA 1.333 56.031 54.840 -0.236 0.000 0.747 346 L CB -0.902 41.112 42.059 -0.074 0.000 0.896 346 L HN 0.164 nan 8.230 nan 0.000 0.432 347 N N 0.256 118.829 118.700 -0.211 0.000 2.104 347 N HA -0.225 4.566 4.740 0.085 0.000 0.190 347 N C 1.827 177.174 175.510 -0.272 0.000 1.024 347 N CA 1.329 54.258 53.050 -0.201 0.000 0.853 347 N CB -0.101 38.309 38.487 -0.128 0.000 1.008 347 N HN 0.351 nan 8.380 nan 0.000 0.424 348 K N 0.096 120.307 120.400 -0.314 0.000 2.062 348 K HA 0.013 4.383 4.320 0.085 0.000 0.205 348 K C 1.609 177.861 176.600 -0.580 0.000 1.051 348 K CA 0.868 56.941 56.287 -0.357 0.000 0.941 348 K CB 0.157 32.495 32.500 -0.269 0.000 0.719 348 K HN 0.021 nan 8.250 nan 0.000 0.440 349 M N 0.302 119.324 119.600 -0.963 0.000 2.486 349 M HA 0.068 4.599 4.480 0.085 0.000 0.264 349 M C 2.040 177.420 176.300 -1.533 0.000 1.125 349 M CA 0.631 55.022 55.300 -1.515 0.000 1.144 349 M CB -0.351 30.750 32.600 -2.499 0.000 1.353 349 M HN 0.115 nan 8.290 nan 0.000 0.466 350 I N 1.270 121.227 120.570 -1.023 0.000 2.151 350 I HA -0.259 3.962 4.170 0.085 0.000 0.243 350 I C -0.532 175.407 176.117 -0.297 0.000 1.080 350 I CA 1.862 62.870 61.300 -0.487 0.000 1.339 350 I CB -1.753 36.132 38.000 -0.192 0.000 1.039 350 I HN 0.153 nan 8.210 nan 0.000 0.409 351 P HA -0.155 nan 4.420 nan 0.000 0.218 351 P C 1.308 178.513 177.300 -0.159 0.000 1.149 351 P CA 1.464 64.460 63.100 -0.173 0.000 0.817 351 P CB 0.000 31.600 31.700 -0.167 0.000 0.785 352 K N -1.451 118.766 120.400 -0.307 0.000 2.007 352 K HA -0.117 4.254 4.320 0.085 0.000 0.206 352 K C 2.085 178.636 176.600 -0.082 0.000 1.047 352 K CA 1.264 57.410 56.287 -0.235 0.000 0.937 352 K CB -0.574 31.636 32.500 -0.484 0.000 0.718 352 K HN 0.141 nan 8.250 nan 0.000 0.438 353 W N 1.893 122.968 121.300 -0.376 0.000 2.338 353 W HA -0.122 4.584 4.660 0.077 0.000 0.304 353 W C 2.006 178.523 176.519 -0.003 0.000 1.212 353 W CA 0.737 57.929 57.345 -0.255 0.000 1.264 353 W CB -0.739 28.462 29.460 -0.431 0.000 1.142 353 W HN 0.135 nan 8.180 nan 0.000 0.512 354 I N -0.210 120.490 120.570 0.217 0.000 3.564 354 I HA 0.019 4.240 4.170 0.085 0.000 0.294 354 I C 1.540 177.729 176.117 0.119 0.000 1.289 354 I CA 1.442 62.845 61.300 0.172 0.000 1.325 354 I CB -0.659 37.430 38.000 0.148 0.000 1.039 354 I HN -0.090 nan 8.210 nan 0.000 0.474 355 S N -0.664 115.108 115.700 0.121 0.000 2.539 355 S HA 0.261 4.781 4.470 0.085 0.000 0.221 355 S C 0.532 175.175 174.600 0.072 0.000 0.987 355 S CA -0.109 58.140 58.200 0.081 0.000 0.929 355 S CB -0.007 63.230 63.200 0.060 0.000 0.832 355 S HN 0.471 nan 8.310 nan 0.000 0.492 356 S N -0.077 115.682 115.700 0.098 0.000 2.535 356 S HA 0.321 4.842 4.470 0.085 0.000 0.272 356 S C -0.071 174.486 174.600 -0.072 0.000 1.149 356 S CA -0.525 57.677 58.200 0.004 0.000 0.888 356 S CB 1.343 64.540 63.200 -0.005 0.000 1.110 356 S HN 0.086 nan 8.310 nan 0.000 0.463 357 Q N 2.305 121.996 119.800 -0.181 0.000 2.437 357 Q HA -0.071 4.319 4.340 0.085 0.000 0.210 357 Q C 1.644 177.507 176.000 -0.229 0.000 0.972 357 Q CA 0.827 56.473 55.803 -0.262 0.000 0.903 357 Q CB -0.159 28.403 28.738 -0.294 0.000 0.967 357 Q HN 0.740 nan 8.270 nan 0.000 0.486 358 K N 0.013 120.245 120.400 -0.280 0.000 2.103 358 K HA -0.178 4.192 4.320 0.085 0.000 0.207 358 K C 1.189 177.567 176.600 -0.370 0.000 1.048 358 K CA 1.406 57.452 56.287 -0.402 0.000 0.930 358 K CB 0.048 32.150 32.500 -0.663 0.000 0.716 358 K HN 0.230 nan 8.250 nan 0.000 0.444 359 Y N -0.716 119.574 120.300 -0.016 0.000 2.522 359 Y HA 0.209 4.808 4.550 0.082 0.000 0.277 359 Y C 0.567 176.406 175.900 -0.100 0.000 1.104 359 Y CA -0.217 57.867 58.100 -0.028 0.000 1.260 359 Y CB 0.717 39.217 38.460 0.068 0.000 1.151 359 Y HN -0.150 nan 8.280 nan 0.000 0.539 360 L N 3.012 124.260 121.223 0.041 0.000 2.529 360 L HA 0.352 4.743 4.340 0.085 0.000 0.246 360 L C -2.726 174.031 176.870 -0.188 0.000 1.394 360 L CA -1.843 52.977 54.840 -0.033 0.000 0.906 360 L CB 1.065 43.143 42.059 0.032 0.000 1.170 360 L HN -0.173 nan 8.230 nan 0.000 0.501 361 P HA 0.063 nan 4.420 nan 0.000 0.272 361 P C -0.412 176.671 177.300 -0.361 0.000 1.223 361 P CA 0.021 62.908 63.100 -0.354 0.000 0.784 361 P CB 0.673 32.190 31.700 -0.304 0.000 0.923 362 F N 1.247 121.029 119.950 -0.279 0.000 2.456 362 F HA 0.142 4.721 4.527 0.086 0.000 0.358 362 F C 1.713 177.229 175.800 -0.474 0.000 1.095 362 F CA -0.243 57.586 58.000 -0.285 0.000 1.216 362 F CB 0.343 39.222 39.000 -0.202 0.000 1.125 362 F HN 0.237 nan 8.300 nan 0.000 0.549 363 H N 4.456 123.434 119.070 -0.154 0.000 2.458 363 H HA 0.353 4.960 4.556 0.084 0.000 0.330 363 H C -0.156 175.098 175.328 -0.123 0.000 1.111 363 H CA -0.582 55.310 56.048 -0.260 0.000 1.245 363 H CB 1.797 31.130 29.762 -0.715 0.000 1.456 363 H HN 0.259 nan 8.280 nan 0.000 0.488 364 I N 1.998 122.573 120.570 0.008 0.000 2.359 364 I HA 0.335 4.556 4.170 0.085 0.000 0.294 364 I C 0.425 176.569 176.117 0.045 0.000 0.987 364 I CA -0.616 60.685 61.300 0.002 0.000 1.225 364 I CB 1.069 39.057 38.000 -0.020 0.000 1.366 364 I HN 0.513 nan 8.210 nan 0.000 0.466 365 A N 6.916 129.758 122.820 0.038 0.000 2.332 365 A HA 0.528 4.899 4.320 0.085 0.000 0.300 365 A C -0.268 177.338 177.584 0.035 0.000 1.153 365 A CA -0.818 51.251 52.037 0.053 0.000 0.764 365 A CB 0.818 19.860 19.000 0.069 0.000 1.174 365 A HN 0.679 nan 8.150 nan 0.000 0.467 366 K N 2.535 122.955 120.400 0.034 0.000 2.339 366 K HA 0.391 4.762 4.320 0.085 0.000 0.286 366 K C -0.335 176.277 176.600 0.020 0.000 1.050 366 K CA -0.016 56.286 56.287 0.026 0.000 0.956 366 K CB 0.697 33.212 32.500 0.024 0.000 0.990 366 K HN 0.511 nan 8.250 nan 0.000 0.475 367 K N 2.292 122.700 120.400 0.012 0.000 2.480 367 K HA 0.309 4.680 4.320 0.085 0.000 0.258 367 K C -0.842 175.745 176.600 -0.022 0.000 0.990 367 K CA -0.937 55.349 56.287 -0.002 0.000 0.857 367 K CB 1.963 34.463 32.500 0.001 0.000 1.384 367 K HN 0.350 nan 8.250 nan 0.000 0.446 368 K N 1.877 122.252 120.400 -0.042 0.000 2.263 368 K HA 0.391 4.762 4.320 0.085 0.000 0.282 368 K C -0.262 176.272 176.600 -0.110 0.000 1.089 368 K CA -0.114 56.124 56.287 -0.082 0.000 0.907 368 K CB 0.170 32.620 32.500 -0.083 0.000 1.148 368 K HN 0.374 nan 8.250 nan 0.000 0.470 369 I N 5.645 126.133 120.570 -0.137 0.000 2.330 369 I HA 0.215 4.436 4.170 0.085 0.000 0.286 369 I C -2.267 173.692 176.117 -0.263 0.000 1.025 369 I CA -2.703 58.513 61.300 -0.139 0.000 1.197 369 I CB 1.319 39.276 38.000 -0.072 0.000 1.358 369 I HN 0.223 nan 8.210 nan 0.000 0.467 370 P HA 0.061 nan 4.420 nan 0.000 0.263 370 P C -0.463 176.561 177.300 -0.460 0.000 1.195 370 P CA 0.411 63.200 63.100 -0.519 0.000 0.762 370 P CB 0.628 32.210 31.700 -0.197 0.000 0.799 371 S N 2.104 117.377 115.700 -0.711 0.000 2.671 371 S HA 0.339 4.860 4.470 0.085 0.000 0.270 371 S C -1.030 173.524 174.600 -0.076 0.000 1.166 371 S CA -1.069 57.002 58.200 -0.213 0.000 0.868 371 S CB 0.270 63.442 63.200 -0.048 0.000 1.190 371 S HN 0.133 nan 8.310 nan 0.000 0.494 372 L N 2.541 123.827 121.223 0.105 0.000 2.410 372 L HA 0.321 4.712 4.340 0.085 0.000 0.273 372 L C 0.735 177.670 176.870 0.109 0.000 1.152 372 L CA -0.479 54.433 54.840 0.120 0.000 0.855 372 L CB 0.172 42.292 42.059 0.101 0.000 1.129 372 L HN 0.713 nan 8.230 nan 0.000 0.463 373 N N 3.367 122.036 118.700 -0.052 0.000 2.468 373 N HA -0.034 4.757 4.740 0.085 0.000 0.265 373 N C 0.769 176.208 175.510 -0.118 0.000 1.199 373 N CA -0.466 52.377 53.050 -0.346 0.000 0.928 373 N CB 1.141 39.275 38.487 -0.589 0.000 1.059 373 N HN 0.507 nan 8.380 nan 0.000 0.467 374 L N 3.029 124.203 121.223 -0.081 0.000 2.447 374 L HA -0.154 4.237 4.340 0.085 0.000 0.225 374 L C 2.220 179.081 176.870 -0.014 0.000 1.148 374 L CA 1.651 56.482 54.840 -0.014 0.000 0.808 374 L CB -1.993 40.063 42.059 -0.005 0.000 0.928 374 L HN 0.779 nan 8.230 nan 0.000 0.448 375 E N 1.606 121.773 120.200 -0.055 0.000 2.062 375 E HA -0.131 4.270 4.350 0.085 0.000 0.196 375 E C 1.625 178.225 176.600 0.001 0.000 0.949 375 E CA 0.781 57.161 56.400 -0.033 0.000 0.889 375 E CB -0.939 28.722 29.700 -0.065 0.000 0.928 375 E HN 0.603 nan 8.360 nan 0.000 0.476 376 N N -0.605 118.075 118.700 -0.034 0.000 2.459 376 N HA 0.205 4.996 4.740 0.085 0.000 0.181 376 N C 1.564 177.081 175.510 0.012 0.000 1.046 376 N CA 1.377 54.419 53.050 -0.012 0.000 0.904 376 N CB 0.359 38.816 38.487 -0.051 0.000 0.964 376 N HN 1.005 nan 8.380 nan 0.000 0.444 377 G N -1.225 107.591 108.800 0.026 0.000 2.136 377 G HA2 -0.253 3.758 3.960 0.085 0.000 0.242 377 G HA3 -0.253 3.758 3.960 0.085 0.000 0.242 377 G C -0.653 174.153 174.900 -0.158 0.000 0.989 377 G CA 0.187 45.275 45.100 -0.020 0.000 0.682 377 G HN 0.402 nan 8.290 nan 0.000 0.522 378 E N -0.652 119.502 120.200 -0.076 0.000 2.191 378 E HA 0.550 4.950 4.350 0.085 0.000 0.274 378 E C 0.061 176.708 176.600 0.078 0.000 0.948 378 E CA -1.148 55.238 56.400 -0.023 0.000 0.802 378 E CB 1.382 31.069 29.700 -0.022 0.000 1.137 378 E HN 0.162 nan 8.360 nan 0.000 0.397 379 F N 3.486 123.438 119.950 0.002 0.000 2.595 379 F HA 0.110 4.688 4.527 0.085 0.000 0.359 379 F C -0.116 175.804 175.800 0.200 0.000 1.147 379 F CA 0.483 58.533 58.000 0.084 0.000 1.341 379 F CB 0.237 39.246 39.000 0.016 0.000 1.104 379 F HN 0.424 nan 8.300 nan 0.000 0.603 380 Y N 1.552 121.408 120.300 -0.741 0.000 2.662 380 Y HA 0.465 5.066 4.550 0.085 0.000 0.334 380 Y C -1.936 173.631 175.900 -0.554 0.000 1.185 380 Y CA -1.691 56.149 58.100 -0.432 0.000 1.074 380 Y CB 0.939 39.275 38.460 -0.207 0.000 1.330 380 Y HN 0.430 nan 8.280 nan 0.000 0.458 381 K N 4.569 124.671 120.400 -0.497 0.000 2.316 381 K HA 0.390 4.761 4.320 0.085 0.000 0.267 381 K C -2.713 173.582 176.600 -0.509 0.000 1.025 381 K CA -1.794 54.186 56.287 -0.511 0.000 0.896 381 K CB 1.431 33.814 32.500 -0.196 0.000 1.124 381 K HN 0.456 nan 8.250 nan 0.000 0.451 382 P HA 0.003 nan 4.420 nan 0.000 0.274 382 P C 0.323 177.534 177.300 -0.148 0.000 1.231 382 P CA -0.181 62.698 63.100 -0.368 0.000 0.790 382 P CB 1.115 32.593 31.700 -0.370 0.000 0.951 383 T N -2.446 112.081 114.554 -0.045 0.000 3.044 383 T HA 0.171 4.572 4.350 0.085 0.000 0.250 383 T C 0.394 175.084 174.700 -0.017 0.000 1.081 383 T CA 0.108 62.193 62.100 -0.025 0.000 1.040 383 T CB 0.092 68.961 68.868 0.002 0.000 0.962 383 T HN 0.455 nan 8.240 nan 0.000 0.506 384 E N 1.466 121.659 120.200 -0.011 0.000 2.343 384 E HA 0.416 4.817 4.350 0.085 0.000 0.270 384 E C -3.101 173.494 176.600 -0.009 0.000 0.895 384 E CA -2.984 53.414 56.400 -0.003 0.000 0.767 384 E CB 1.740 31.448 29.700 0.014 0.000 1.248 384 E HN 0.001 nan 8.360 nan 0.000 0.440 385 P HA -0.084 nan 4.420 nan 0.000 0.260 385 P C -0.127 177.178 177.300 0.008 0.000 1.172 385 P CA 0.492 63.590 63.100 -0.003 0.000 0.760 385 P CB 0.273 31.977 31.700 0.008 0.000 0.773 386 N N 1.926 120.627 118.700 0.002 0.000 2.160 386 N HA 0.229 5.020 4.740 0.085 0.000 0.226 386 N C 0.261 175.791 175.510 0.033 0.000 1.256 386 N CA -0.205 52.862 53.050 0.029 0.000 0.890 386 N CB 0.823 39.337 38.487 0.044 0.000 1.116 386 N HN 0.448 nan 8.380 nan 0.000 0.517 387 G N 0.458 109.274 108.800 0.027 0.000 2.488 387 G HA2 0.519 4.530 3.960 0.085 0.000 0.301 387 G HA3 0.519 4.530 3.960 0.085 0.000 0.301 387 G C -1.910 173.018 174.900 0.047 0.000 1.339 387 G CA -0.753 44.375 45.100 0.047 0.000 0.803 387 G HN 0.308 nan 8.290 nan 0.000 0.482 388 I N -2.675 117.939 120.570 0.073 0.000 2.730 388 I HA 0.808 5.029 4.170 0.085 0.000 0.298 388 I C -0.762 175.392 176.117 0.063 0.000 1.089 388 I CA -1.119 60.214 61.300 0.054 0.000 1.041 388 I CB 2.545 40.564 38.000 0.032 0.000 1.235 388 I HN 0.310 nan 8.210 nan 0.000 0.423 389 K N 5.047 125.466 120.400 0.032 0.000 2.203 389 K HA 0.688 5.059 4.320 0.085 0.000 0.251 389 K C -1.278 175.309 176.600 -0.023 0.000 0.944 389 K CA -0.764 55.536 56.287 0.023 0.000 0.829 389 K CB 2.521 35.037 32.500 0.027 0.000 1.125 389 K HN 0.543 nan 8.250 nan 0.000 0.430 390 L N 1.889 123.067 121.223 -0.075 0.000 2.334 390 L HA 0.458 4.849 4.340 0.085 0.000 0.275 390 L C -0.147 176.682 176.870 -0.068 0.000 1.036 390 L CA -0.486 54.248 54.840 -0.177 0.000 0.807 390 L CB 1.221 42.986 42.059 -0.489 0.000 1.231 390 L HN 0.565 nan 8.230 nan 0.000 0.438 391 E N 1.794 121.989 120.200 -0.009 0.000 2.321 391 E HA 0.347 4.748 4.350 0.085 0.000 0.278 391 E C -1.578 175.052 176.600 0.049 0.000 0.902 391 E CA -0.776 55.662 56.400 0.064 0.000 0.758 391 E CB 2.804 32.590 29.700 0.144 0.000 1.213 391 E HN 0.514 nan 8.360 nan 0.000 0.426 392 Q N 1.466 121.340 119.800 0.123 0.000 2.266 392 Q HA 0.489 4.880 4.340 0.085 0.000 0.261 392 Q C -1.071 175.011 176.000 0.136 0.000 0.985 392 Q CA -0.738 55.122 55.803 0.095 0.000 0.873 392 Q CB 1.544 30.374 28.738 0.153 0.000 1.306 392 Q HN 0.279 nan 8.270 nan 0.000 0.447 393 F N 1.341 121.206 119.950 -0.142 0.000 2.436 393 F HA 0.267 4.844 4.527 0.083 0.000 0.340 393 F C 0.999 176.488 175.800 -0.519 0.000 1.113 393 F CA -1.692 55.994 58.000 -0.523 0.000 1.022 393 F CB 0.828 39.187 39.000 -1.070 0.000 1.128 393 F HN 0.587 nan 8.300 nan 0.000 0.466 394 I N 3.341 123.752 120.570 -0.265 0.000 2.248 394 I HA -0.308 3.913 4.170 0.085 0.000 0.248 394 I C 2.014 178.024 176.117 -0.177 0.000 1.107 394 I CA 1.864 63.093 61.300 -0.118 0.000 1.373 394 I CB -0.436 37.563 38.000 -0.001 0.000 1.055 394 I HN 0.517 nan 8.210 nan 0.000 0.418 395 F N -0.991 118.791 119.950 -0.281 0.000 2.802 395 F HA 0.151 4.729 4.527 0.086 0.000 0.300 395 F C 1.631 176.991 175.800 -0.735 0.000 1.168 395 F CA 0.010 57.430 58.000 -0.967 0.000 1.433 395 F CB -1.587 36.793 39.000 -1.032 0.000 1.115 395 F HN 0.006 nan 8.300 nan 0.000 0.582 396 D N 1.275 121.552 120.400 -0.205 0.000 2.350 396 D HA -0.091 4.600 4.640 0.085 0.000 0.216 396 D C 2.474 178.741 176.300 -0.054 0.000 0.968 396 D CA 1.339 55.336 54.000 -0.005 0.000 0.894 396 D CB 0.025 40.852 40.800 0.043 0.000 0.909 396 D HN 0.452 nan 8.370 nan 0.000 0.520 397 V N -2.258 117.525 119.914 -0.219 0.000 3.306 397 V HA -0.057 4.114 4.120 0.085 0.000 0.264 397 V C 1.965 178.142 176.094 0.137 0.000 1.149 397 V CA 0.393 62.483 62.300 -0.351 0.000 1.143 397 V CB -0.846 30.143 31.823 -1.389 0.000 0.767 397 V HN -0.140 nan 8.190 nan 0.000 0.476 398 F N 1.654 121.610 119.950 0.009 0.000 2.120 398 F HA 0.034 4.623 4.527 0.103 0.000 0.300 398 F C 0.150 175.947 175.800 -0.004 0.000 1.095 398 F CA 1.029 59.036 58.000 0.012 0.000 1.249 398 F CB -2.594 36.355 39.000 -0.084 0.000 0.995 398 F HN 0.351 nan 8.300 nan 0.000 0.480 399 P HA -0.096 nan 4.420 nan 0.000 0.225 399 P C 1.618 179.054 177.300 0.226 0.000 1.148 399 P CA 1.713 64.910 63.100 0.161 0.000 0.779 399 P CB -0.248 31.541 31.700 0.149 0.000 0.780 400 S N -2.020 113.889 115.700 0.347 0.000 2.527 400 S HA 0.019 4.539 4.470 0.085 0.000 0.222 400 S C 0.852 175.698 174.600 0.410 0.000 0.985 400 S CA -0.157 58.298 58.200 0.424 0.000 0.921 400 S CB -1.023 62.509 63.200 0.554 0.000 0.772 400 S HN -0.014 nan 8.310 nan 0.000 0.529 401 V N 2.344 122.484 119.914 0.378 0.000 2.834 401 V HA 0.289 4.460 4.120 0.085 0.000 0.301 401 V C -0.135 176.048 176.094 0.148 0.000 1.066 401 V CA -0.630 61.851 62.300 0.301 0.000 1.052 401 V CB 1.189 33.106 31.823 0.156 0.000 1.021 401 V HN 0.352 nan 8.190 nan 0.000 0.480 402 E N 3.703 123.965 120.200 0.104 0.000 2.360 402 E HA 0.057 4.458 4.350 0.085 0.000 0.269 402 E C 0.691 177.312 176.600 0.036 0.000 1.022 402 E CA -0.111 56.331 56.400 0.070 0.000 0.887 402 E CB 1.302 31.040 29.700 0.064 0.000 0.990 402 E HN 0.676 nan 8.360 nan 0.000 0.426 403 L N 4.623 125.862 121.223 0.026 0.000 2.051 403 L HA -0.288 4.103 4.340 0.085 0.000 0.214 403 L C 1.435 178.323 176.870 0.031 0.000 1.076 403 L CA 2.217 57.063 54.840 0.010 0.000 0.758 403 L CB -0.538 41.527 42.059 0.010 0.000 0.890 403 L HN 0.537 nan 8.230 nan 0.000 0.433 404 N N -1.745 116.982 118.700 0.044 0.000 2.521 404 N HA -0.122 4.669 4.740 0.085 0.000 0.188 404 N C 1.007 176.575 175.510 0.097 0.000 1.146 404 N CA 0.705 53.797 53.050 0.070 0.000 0.893 404 N CB -0.372 38.158 38.487 0.071 0.000 0.975 404 N HN 0.321 nan 8.380 nan 0.000 0.451 405 K N -0.328 120.095 120.400 0.038 0.000 2.373 405 K HA 0.174 4.545 4.320 0.085 0.000 0.202 405 K C -0.736 175.758 176.600 -0.178 0.000 1.025 405 K CA -0.313 55.993 56.287 0.032 0.000 1.115 405 K CB 0.004 32.482 32.500 -0.036 0.000 0.858 405 K HN 0.223 nan 8.250 nan 0.000 0.525 406 F N 0.565 120.207 119.950 -0.513 0.000 2.443 406 F HA 0.580 5.119 4.527 0.020 0.000 0.335 406 F C 0.251 175.303 175.800 -1.246 0.000 1.104 406 F CA -0.769 56.799 58.000 -0.719 0.000 1.013 406 F CB 1.510 40.250 39.000 -0.433 0.000 1.136 406 F HN -0.025 nan 8.300 nan 0.000 0.470 407 G N 3.126 110.725 108.800 -2.001 0.000 2.519 407 G HA2 0.520 4.530 3.960 0.085 0.000 0.307 407 G HA3 0.520 4.530 3.960 0.085 0.000 0.307 407 G C -2.137 172.285 174.900 -0.796 0.000 1.266 407 G CA -0.726 43.477 45.100 -1.495 0.000 0.970 407 G HN 0.878 nan 8.290 nan 0.000 0.481 408 C N 3.269 122.494 119.300 -0.124 0.000 2.478 408 C HA 0.629 5.140 4.460 0.085 0.000 0.334 408 C C -0.769 174.247 174.990 0.043 0.000 1.106 408 C CA -0.854 58.142 59.018 -0.036 0.000 1.363 408 C CB -0.306 27.446 27.740 0.021 0.000 1.941 408 C HN 0.740 nan 8.230 nan 0.000 0.436 409 L N 5.480 126.686 121.223 -0.029 0.000 2.257 409 L HA 0.522 4.913 4.340 0.085 0.000 0.290 409 L C 0.269 177.020 176.870 -0.199 0.000 1.044 409 L CA 0.526 55.207 54.840 -0.265 0.000 0.810 409 L CB 0.887 42.693 42.059 -0.423 0.000 1.193 409 L HN 0.791 nan 8.230 nan 0.000 0.425 410 E N 4.498 124.604 120.200 -0.157 0.000 2.289 410 E HA 0.492 4.893 4.350 0.085 0.000 0.278 410 E C -0.949 175.570 176.600 -0.135 0.000 1.032 410 E CA -0.545 55.779 56.400 -0.127 0.000 0.854 410 E CB 1.083 30.730 29.700 -0.088 0.000 1.046 410 E HN 0.578 nan 8.360 nan 0.000 0.409 411 V N 0.946 120.782 119.914 -0.130 0.000 3.155 411 V HA 0.420 4.591 4.120 0.085 0.000 0.313 411 V C -0.344 175.706 176.094 -0.074 0.000 1.162 411 V CA -1.145 61.090 62.300 -0.108 0.000 1.048 411 V CB 1.758 33.503 31.823 -0.130 0.000 1.092 411 V HN 0.660 nan 8.190 nan 0.000 0.447 412 D N 0.719 121.089 120.400 -0.051 0.000 2.336 412 D HA 0.225 4.916 4.640 0.085 0.000 0.249 412 D C 1.139 177.424 176.300 -0.025 0.000 1.213 412 D CA 0.047 54.026 54.000 -0.035 0.000 0.870 412 D CB 1.186 41.973 40.800 -0.022 0.000 1.076 412 D HN 0.717 nan 8.370 nan 0.000 0.483 413 R N 3.785 124.273 120.500 -0.020 0.000 2.119 413 R HA -0.163 4.228 4.340 0.085 0.000 0.246 413 R C 1.749 178.024 176.300 -0.042 0.000 1.146 413 R CA 1.254 57.362 56.100 0.014 0.000 0.962 413 R CB -0.065 30.246 30.300 0.019 0.000 0.863 413 R HN 0.551 nan 8.270 nan 0.000 0.442 414 L N 0.057 121.224 121.223 -0.092 0.000 2.191 414 L HA -0.159 4.232 4.340 0.085 0.000 0.212 414 L C 1.502 178.291 176.870 -0.135 0.000 1.103 414 L CA 1.007 55.755 54.840 -0.153 0.000 0.769 414 L CB -0.324 41.656 42.059 -0.131 0.000 0.908 414 L HN 0.187 nan 8.230 nan 0.000 0.438 415 D N -0.795 119.566 120.400 -0.065 0.000 2.366 415 D HA -0.018 4.673 4.640 0.085 0.000 0.205 415 D C 1.641 177.929 176.300 -0.019 0.000 1.022 415 D CA 0.642 54.625 54.000 -0.028 0.000 0.868 415 D CB 0.540 41.384 40.800 0.074 0.000 0.953 415 D HN 0.375 nan 8.370 nan 0.000 0.514 416 E N -1.118 119.081 120.200 -0.002 0.000 2.606 416 E HA 0.102 4.503 4.350 0.085 0.000 0.224 416 E C -0.448 176.236 176.600 0.140 0.000 0.930 416 E CA -0.208 56.211 56.400 0.032 0.000 1.125 416 E CB 1.707 31.413 29.700 0.010 0.000 1.123 416 E HN -0.004 nan 8.360 nan 0.000 0.522 417 F N 1.271 121.176 119.950 -0.076 0.000 2.653 417 F HA 0.410 4.991 4.527 0.091 0.000 0.327 417 F C -1.447 174.330 175.800 -0.038 0.000 1.195 417 F CA -0.790 57.181 58.000 -0.049 0.000 0.993 417 F CB 2.123 41.093 39.000 -0.050 0.000 1.259 417 F HN -0.270 nan 8.300 nan 0.000 0.478 418 S N 8.358 123.740 115.700 -0.529 0.000 2.511 418 S HA 0.474 4.995 4.470 0.085 0.000 0.233 418 S C -3.198 171.129 174.600 -0.454 0.000 1.104 418 S CA -0.960 56.977 58.200 -0.439 0.000 1.129 418 S CB 1.181 64.362 63.200 -0.030 0.000 1.159 418 S HN 0.428 nan 8.310 nan 0.000 0.451 419 P HA 0.333 nan 4.420 nan 0.000 0.284 419 P C -0.865 176.308 177.300 -0.212 0.000 1.253 419 P CA -0.760 62.124 63.100 -0.359 0.000 0.800 419 P CB 1.049 32.544 31.700 -0.343 0.000 0.961 420 L N 4.055 125.180 121.223 -0.164 0.000 2.259 420 L HA 0.285 4.676 4.340 0.085 0.000 0.288 420 L C 0.871 177.630 176.870 -0.185 0.000 1.051 420 L CA 0.560 55.284 54.840 -0.193 0.000 0.824 420 L CB 0.059 41.982 42.059 -0.226 0.000 1.206 420 L HN 0.337 nan 8.230 nan 0.000 0.429 421 K N 2.482 122.782 120.400 -0.167 0.000 2.462 421 K HA 0.329 4.700 4.320 0.085 0.000 0.201 421 K C -0.157 176.361 176.600 -0.137 0.000 1.268 421 K CA -0.192 56.016 56.287 -0.132 0.000 0.933 421 K CB 0.653 33.103 32.500 -0.084 0.000 1.162 421 K HN 0.493 nan 8.250 nan 0.000 0.527 422 N N 0.823 119.438 118.700 -0.142 0.000 2.335 422 N HA 0.353 5.144 4.740 0.085 0.000 0.304 422 N C -0.906 174.518 175.510 -0.144 0.000 1.135 422 N CA -0.410 52.568 53.050 -0.121 0.000 0.817 422 N CB 1.817 40.254 38.487 -0.084 0.000 1.294 422 N HN 0.030 nan 8.380 nan 0.000 0.497 423 A N 0.434 123.187 122.820 -0.112 0.000 2.406 423 A HA 0.085 4.456 4.320 0.085 0.000 0.243 423 A C 0.174 177.718 177.584 -0.066 0.000 1.082 423 A CA -0.088 51.894 52.037 -0.091 0.000 0.786 423 A CB 0.009 18.980 19.000 -0.048 0.000 1.029 423 A HN 0.571 nan 8.150 nan 0.000 0.495 424 D N -0.328 120.049 120.400 -0.038 0.000 2.478 424 D HA 0.349 5.040 4.640 0.085 0.000 0.234 424 D C 1.266 177.550 176.300 -0.027 0.000 1.154 424 D CA 2.175 56.157 54.000 -0.029 0.000 0.874 424 D CB 0.934 41.733 40.800 -0.002 0.000 1.198 424 D HN 0.989 nan 8.370 nan 0.000 0.455 425 G N 0.759 109.540 108.800 -0.031 0.000 2.481 425 G HA2 -0.116 3.895 3.960 0.085 0.000 0.200 425 G HA3 -0.116 3.895 3.960 0.085 0.000 0.200 425 G C 0.405 175.287 174.900 -0.030 0.000 1.012 425 G CA 0.272 45.356 45.100 -0.026 0.000 0.676 425 G HN 0.838 nan 8.290 nan 0.000 0.488 426 A N 0.574 123.372 122.820 -0.037 0.000 2.313 426 A HA 0.698 5.069 4.320 0.085 0.000 0.261 426 A C 1.327 178.888 177.584 -0.038 0.000 1.090 426 A CA 1.196 53.212 52.037 -0.036 0.000 0.807 426 A CB 0.592 19.567 19.000 -0.043 0.000 1.055 426 A HN 0.563 nan 8.150 nan 0.000 0.492 427 K N -0.241 120.140 120.400 -0.031 0.000 2.155 427 K HA -0.052 4.319 4.320 0.085 0.000 0.203 427 K C -0.181 176.397 176.600 -0.036 0.000 1.052 427 K CA 1.290 57.560 56.287 -0.029 0.000 0.948 427 K CB -0.100 32.389 32.500 -0.018 0.000 0.728 427 K HN 0.765 nan 8.250 nan 0.000 0.448 428 N N 0.281 118.958 118.700 -0.038 0.000 2.321 428 N HA 0.131 4.922 4.740 0.085 0.000 0.290 428 N C -1.650 173.822 175.510 -0.063 0.000 1.212 428 N CA -0.566 52.460 53.050 -0.040 0.000 0.767 428 N CB 1.683 40.161 38.487 -0.015 0.000 1.494 428 N HN 0.015 nan 8.380 nan 0.000 0.479 429 D N -0.376 119.978 120.400 -0.077 0.000 2.697 429 D HA -0.156 4.535 4.640 0.085 0.000 0.235 429 D C -0.420 175.802 176.300 -0.130 0.000 1.167 429 D CA 1.084 55.019 54.000 -0.109 0.000 0.656 429 D CB -1.581 39.161 40.800 -0.097 0.000 1.025 429 D HN 0.618 nan 8.370 nan 0.000 0.419 430 T N -4.781 109.692 114.554 -0.135 0.000 2.905 430 T HA 0.579 4.980 4.350 0.085 0.000 0.283 430 T C -2.043 172.572 174.700 -0.142 0.000 1.031 430 T CA -1.785 60.232 62.100 -0.139 0.000 1.002 430 T CB 2.632 71.437 68.868 -0.104 0.000 1.200 430 T HN -0.350 nan 8.240 nan 0.000 0.560 431 P HA -0.024 nan 4.420 nan 0.000 0.217 431 P C 1.531 178.797 177.300 -0.056 0.000 1.150 431 P CA 1.144 64.220 63.100 -0.041 0.000 0.832 431 P CB -0.233 31.537 31.700 0.116 0.000 0.787 432 T N -1.016 113.495 114.554 -0.071 0.000 2.777 432 T HA -0.139 4.262 4.350 0.085 0.000 0.266 432 T C 1.846 176.448 174.700 -0.164 0.000 1.040 432 T CA 2.234 64.278 62.100 -0.093 0.000 1.141 432 T CB -1.247 67.574 68.868 -0.077 0.000 0.868 432 T HN 0.329 nan 8.240 nan 0.000 0.444 433 T N -0.034 114.390 114.554 -0.216 0.000 2.821 433 T HA -0.106 4.295 4.350 0.085 0.000 0.267 433 T C 2.275 176.701 174.700 -0.457 0.000 1.046 433 T CA 1.112 62.966 62.100 -0.411 0.000 1.139 433 T CB -1.219 67.433 68.868 -0.361 0.000 0.871 433 T HN 0.398 nan 8.240 nan 0.000 0.454 434 C N 1.279 120.444 119.300 -0.225 0.000 2.432 434 C HA 0.056 4.567 4.460 0.085 0.000 0.277 434 C C 3.047 177.999 174.990 -0.064 0.000 1.249 434 C CA 0.987 59.939 59.018 -0.110 0.000 1.725 434 C CB -1.141 26.549 27.740 -0.084 0.000 2.028 434 C HN 0.650 nan 8.230 nan 0.000 0.477 435 R N 1.093 121.539 120.500 -0.090 0.000 2.083 435 R HA -0.131 4.260 4.340 0.085 0.000 0.237 435 R C 1.940 178.217 176.300 -0.039 0.000 1.137 435 R CA 1.828 57.887 56.100 -0.068 0.000 0.951 435 R CB -0.336 29.919 30.300 -0.074 0.000 0.851 435 R HN 0.523 nan 8.270 nan 0.000 0.434 436 N N -0.027 118.610 118.700 -0.106 0.000 2.188 436 N HA -0.141 4.649 4.740 0.085 0.000 0.184 436 N C 1.555 177.057 175.510 -0.014 0.000 1.018 436 N CA 1.391 54.388 53.050 -0.090 0.000 0.858 436 N CB -0.378 38.021 38.487 -0.147 0.000 0.989 436 N HN 0.530 nan 8.380 nan 0.000 0.426 437 H N -1.551 117.494 119.070 -0.043 0.000 2.389 437 H HA -0.090 4.517 4.556 0.086 0.000 0.299 437 H C 1.604 176.880 175.328 -0.087 0.000 1.081 437 H CA 0.872 56.876 56.048 -0.074 0.000 1.345 437 H CB 0.024 29.736 29.762 -0.083 0.000 1.393 437 H HN 0.246 nan 8.280 nan 0.000 0.520 438 Y N 1.279 121.550 120.300 -0.047 0.000 2.163 438 Y HA -0.196 4.405 4.550 0.085 0.000 0.288 438 Y C 2.159 177.943 175.900 -0.194 0.000 1.136 438 Y CA 1.156 59.174 58.100 -0.137 0.000 1.147 438 Y CB -0.109 38.287 38.460 -0.106 0.000 0.987 438 Y HN 0.054 nan 8.280 nan 0.000 0.509 439 L N -0.230 121.058 121.223 0.109 0.000 2.093 439 L HA -0.184 4.207 4.340 0.085 0.000 0.208 439 L C 2.162 178.965 176.870 -0.111 0.000 1.085 439 L CA 1.509 56.351 54.840 0.003 0.000 0.755 439 L CB -0.499 41.567 42.059 0.011 0.000 0.904 439 L HN 0.279 nan 8.230 nan 0.000 0.435 440 E N -0.171 119.969 120.200 -0.099 0.000 2.106 440 E HA -0.217 4.184 4.350 0.085 0.000 0.192 440 E C 2.252 178.704 176.600 -0.247 0.000 0.984 440 E CA 0.684 57.010 56.400 -0.123 0.000 0.806 440 E CB -0.007 29.663 29.700 -0.051 0.000 0.750 440 E HN 0.309 nan 8.360 nan 0.000 0.458 441 R N 0.588 120.864 120.500 -0.374 0.000 2.066 441 R HA -0.105 4.286 4.340 0.085 0.000 0.232 441 R C 2.301 178.002 176.300 -0.998 0.000 1.131 441 R CA 1.632 57.326 56.100 -0.676 0.000 0.955 441 R CB -0.112 29.706 30.300 -0.805 0.000 0.851 441 R HN -0.009 nan 8.270 nan 0.000 0.432 442 S N 0.316 115.519 115.700 -0.828 0.000 2.359 442 S HA -0.130 4.391 4.470 0.085 0.000 0.224 442 S C 1.964 176.380 174.600 -0.308 0.000 1.035 442 S CA 1.748 59.585 58.200 -0.605 0.000 1.018 442 S CB -0.154 62.850 63.200 -0.326 0.000 0.876 442 S HN 0.415 nan 8.310 nan 0.000 0.448 443 S N 1.121 116.673 115.700 -0.246 0.000 2.368 443 S HA -0.108 4.413 4.470 0.085 0.000 0.225 443 S C 1.848 176.380 174.600 -0.114 0.000 1.030 443 S CA 1.180 59.287 58.200 -0.154 0.000 0.999 443 S CB -0.266 62.866 63.200 -0.114 0.000 0.844 443 S HN 0.518 nan 8.310 nan 0.000 0.459 444 K N 0.068 120.381 120.400 -0.144 0.000 2.032 444 K HA -0.171 4.200 4.320 0.085 0.000 0.209 444 K C 1.836 178.473 176.600 0.061 0.000 1.048 444 K CA 1.559 57.807 56.287 -0.065 0.000 0.927 444 K CB -0.212 32.227 32.500 -0.102 0.000 0.712 444 K HN 0.344 nan 8.250 nan 0.000 0.441 445 W N 0.852 122.088 121.300 -0.108 0.000 2.335 445 W HA -0.150 4.560 4.660 0.083 0.000 0.311 445 W C 2.171 178.614 176.519 -0.126 0.000 1.213 445 W CA 0.462 57.741 57.345 -0.110 0.000 1.274 445 W CB -1.139 28.249 29.460 -0.120 0.000 1.148 445 W HN -0.057 nan 8.180 nan 0.000 0.498 446 V N 0.597 120.558 119.914 0.078 0.000 2.295 446 V HA -0.290 3.881 4.120 0.085 0.000 0.246 446 V C 2.151 178.223 176.094 -0.035 0.000 1.049 446 V CA 1.735 63.999 62.300 -0.060 0.000 1.024 446 V CB -0.888 30.807 31.823 -0.213 0.000 0.648 446 V HN 0.051 nan 8.190 nan 0.000 0.447 447 I N -0.356 120.202 120.570 -0.020 0.000 2.394 447 I HA -0.272 3.949 4.170 0.085 0.000 0.251 447 I C 2.578 178.692 176.117 -0.005 0.000 1.136 447 I CA 1.353 62.645 61.300 -0.014 0.000 1.425 447 I CB -0.358 37.633 38.000 -0.016 0.000 1.079 447 I HN 0.390 nan 8.210 nan 0.000 0.425 448 Q N 0.341 120.149 119.800 0.014 0.000 2.291 448 Q HA -0.101 4.290 4.340 0.085 0.000 0.205 448 Q C 1.145 177.139 176.000 -0.009 0.000 0.970 448 Q CA 0.849 56.659 55.803 0.011 0.000 0.876 448 Q CB -0.088 28.672 28.738 0.036 0.000 0.935 448 Q HN 0.532 nan 8.270 nan 0.000 0.455 449 N N -0.821 117.867 118.700 -0.020 0.000 2.251 449 N HA 0.071 4.862 4.740 0.085 0.000 0.217 449 N C 0.402 175.890 175.510 -0.037 0.000 1.124 449 N CA 0.707 53.733 53.050 -0.040 0.000 0.843 449 N CB 1.429 39.873 38.487 -0.073 0.000 1.024 449 N HN 0.351 nan 8.380 nan 0.000 0.501 450 G N 0.205 108.990 108.800 -0.025 0.000 2.176 450 G HA2 -0.218 3.793 3.960 0.085 0.000 0.253 450 G HA3 -0.218 3.793 3.960 0.085 0.000 0.253 450 G C 0.459 175.346 174.900 -0.022 0.000 0.979 450 G CA -0.034 45.052 45.100 -0.023 0.000 0.641 450 G HN 0.510 nan 8.290 nan 0.000 0.530 451 G N -1.127 107.673 108.800 -0.000 0.000 2.537 451 G HA2 0.651 4.662 3.960 0.085 0.000 0.273 451 G HA3 0.651 4.662 3.960 0.085 0.000 0.273 451 G C -0.377 174.526 174.900 0.005 0.000 1.189 451 G CA 0.162 45.306 45.100 0.072 0.000 0.881 451 G HN 1.033 nan 8.290 nan 0.000 0.535 452 V N 1.044 120.937 119.914 -0.034 0.000 2.588 452 V HA 0.415 4.586 4.120 0.085 0.000 0.304 452 V C -0.332 175.777 176.094 0.026 0.000 1.042 452 V CA -0.521 61.694 62.300 -0.141 0.000 0.877 452 V CB 1.787 33.283 31.823 -0.546 0.000 0.996 452 V HN 0.610 nan 8.190 nan 0.000 0.425 453 I N 3.879 124.484 120.570 0.058 0.000 2.355 453 I HA 0.401 4.622 4.170 0.085 0.000 0.288 453 I C -0.332 175.844 176.117 0.098 0.000 0.999 453 I CA -0.508 60.862 61.300 0.117 0.000 1.163 453 I CB 1.399 39.442 38.000 0.072 0.000 1.316 453 I HN 0.540 nan 8.210 nan 0.000 0.454 454 D N 5.447 125.927 120.400 0.134 0.000 2.377 454 D HA 0.110 4.801 4.640 0.085 0.000 0.245 454 D C 0.552 176.896 176.300 0.073 0.000 1.196 454 D CA 0.017 54.084 54.000 0.112 0.000 0.962 454 D CB 0.377 41.251 40.800 0.123 0.000 1.127 454 D HN 0.450 nan 8.370 nan 0.000 0.471 455 N N 0.434 119.168 118.700 0.056 0.000 2.708 455 N HA -0.232 4.559 4.740 0.085 0.000 0.249 455 N C -0.526 175.002 175.510 0.030 0.000 1.097 455 N CA 0.745 53.818 53.050 0.038 0.000 0.710 455 N CB -0.836 37.673 38.487 0.036 0.000 1.032 455 N HN 0.396 nan 8.380 nan 0.000 0.551 456 Q N -3.742 116.075 119.800 0.029 0.000 2.494 456 Q HA -0.166 4.225 4.340 0.085 0.000 0.266 456 Q C 0.855 176.865 176.000 0.017 0.000 1.053 456 Q CA 1.597 57.412 55.803 0.019 0.000 1.029 456 Q CB -1.790 26.956 28.738 0.013 0.000 1.423 456 Q HN 0.729 nan 8.270 nan 0.000 0.516 457 G N -0.970 107.845 108.800 0.025 0.000 2.557 457 G HA2 0.803 4.814 3.960 0.085 0.000 0.302 457 G HA3 0.803 4.814 3.960 0.085 0.000 0.302 457 G C -0.598 174.309 174.900 0.012 0.000 1.311 457 G CA -0.797 44.317 45.100 0.022 0.000 1.030 457 G HN 0.086 nan 8.290 nan 0.000 0.509 458 L N -0.768 120.458 121.223 0.006 0.000 2.371 458 L HA 0.655 5.046 4.340 0.085 0.000 0.262 458 L C -0.063 176.798 176.870 -0.015 0.000 1.006 458 L CA -1.149 53.682 54.840 -0.015 0.000 0.818 458 L CB 2.339 44.385 42.059 -0.022 0.000 1.354 458 L HN 0.529 nan 8.230 nan 0.000 0.415 459 V N -1.745 118.139 119.914 -0.049 0.000 3.158 459 V HA 0.663 4.834 4.120 0.085 0.000 0.315 459 V C -0.897 175.166 176.094 -0.052 0.000 1.148 459 V CA -0.675 61.589 62.300 -0.060 0.000 1.042 459 V CB 1.989 33.716 31.823 -0.160 0.000 1.101 459 V HN 0.868 nan 8.190 nan 0.000 0.448 460 E N 0.570 120.756 120.200 -0.023 0.000 2.210 460 E HA 0.642 5.043 4.350 0.085 0.000 0.266 460 E C -1.808 174.812 176.600 0.034 0.000 0.883 460 E CA -0.750 55.672 56.400 0.037 0.000 0.761 460 E CB 2.344 32.093 29.700 0.082 0.000 1.156 460 E HN 0.682 nan 8.360 nan 0.000 0.412 461 V N 4.082 124.028 119.914 0.054 0.000 2.394 461 V HA 0.125 4.296 4.120 0.085 0.000 0.282 461 V C 0.008 176.202 176.094 0.168 0.000 1.031 461 V CA -0.722 61.644 62.300 0.110 0.000 0.881 461 V CB 1.440 33.385 31.823 0.204 0.000 0.982 461 V HN 0.721 nan 8.190 nan 0.000 0.451 462 D N 3.141 123.636 120.400 0.158 0.000 2.350 462 D HA 0.128 4.819 4.640 0.085 0.000 0.249 462 D C 1.195 177.594 176.300 0.165 0.000 1.119 462 D CA 0.235 54.328 54.000 0.155 0.000 0.886 462 D CB 1.873 42.750 40.800 0.129 0.000 1.195 462 D HN 0.446 nan 8.370 nan 0.000 0.437 463 S N 2.555 118.351 115.700 0.160 0.000 2.442 463 S HA -0.197 4.324 4.470 0.085 0.000 0.236 463 S C 1.632 176.317 174.600 0.141 0.000 1.007 463 S CA 1.185 59.476 58.200 0.152 0.000 0.965 463 S CB -0.108 63.175 63.200 0.138 0.000 0.773 463 S HN 0.671 nan 8.310 nan 0.000 0.504 464 K N 0.695 121.169 120.400 0.124 0.000 2.283 464 K HA 0.002 4.372 4.320 0.085 0.000 0.202 464 K C 1.574 178.233 176.600 0.098 0.000 1.048 464 K CA 1.537 57.886 56.287 0.104 0.000 0.948 464 K CB -0.361 32.192 32.500 0.089 0.000 0.742 464 K HN 0.116 nan 8.250 nan 0.000 0.458 465 T N -0.415 114.212 114.554 0.121 0.000 2.939 465 T HA 0.020 4.421 4.350 0.085 0.000 0.254 465 T C 0.375 175.156 174.700 0.135 0.000 1.041 465 T CA 0.762 62.946 62.100 0.140 0.000 1.142 465 T CB 0.201 69.191 68.868 0.204 0.000 0.874 465 T HN 0.241 nan 8.240 nan 0.000 0.452 466 S N -0.770 115.006 115.700 0.127 0.000 2.603 466 S HA 0.398 4.918 4.470 0.085 0.000 0.274 466 S C -0.255 174.387 174.600 0.070 0.000 1.168 466 S CA -0.841 57.391 58.200 0.052 0.000 0.963 466 S CB 1.022 64.199 63.200 -0.037 0.000 1.078 466 S HN 0.326 nan 8.310 nan 0.000 0.477 467 Y N 4.359 124.607 120.300 -0.087 0.000 2.184 467 Y HA 0.316 4.916 4.550 0.083 0.000 0.290 467 Y C 1.535 177.375 175.900 -0.101 0.000 1.129 467 Y CA 2.100 60.170 58.100 -0.049 0.000 1.144 467 Y CB 0.063 38.490 38.460 -0.055 0.000 0.995 467 Y HN 0.722 nan 8.280 nan 0.000 0.513 468 G N -1.984 106.676 108.800 -0.235 0.000 4.908 468 G HA2 0.413 4.423 3.960 0.085 0.000 0.267 468 G HA3 0.413 4.423 3.960 0.085 0.000 0.267 468 G C 0.572 174.692 174.900 -1.300 0.000 0.958 468 G CA 0.035 44.806 45.100 -0.549 0.000 0.743 468 G HN 0.861 nan 8.290 nan 0.000 0.410 469 G N 0.383 108.159 108.800 -1.707 0.000 2.231 469 G HA2 -0.186 3.825 3.960 0.085 0.000 0.206 469 G HA3 -0.186 3.825 3.960 0.085 0.000 0.206 469 G C 0.337 174.854 174.900 -0.638 0.000 0.996 469 G CA 0.195 44.346 45.100 -1.581 0.000 0.645 469 G HN 0.811 nan 8.290 nan 0.000 0.498 470 E N 1.255 121.213 120.200 -0.404 0.000 2.345 470 E HA 0.493 4.894 4.350 0.085 0.000 0.259 470 E C 1.189 177.725 176.600 -0.106 0.000 1.117 470 E CA 0.320 56.602 56.400 -0.197 0.000 0.913 470 E CB 0.633 30.255 29.700 -0.130 0.000 1.057 470 E HN 1.658 nan 8.360 nan 0.000 0.432 471 G N 1.506 110.286 108.800 -0.032 0.000 2.153 471 G HA2 -0.267 3.744 3.960 0.085 0.000 0.252 471 G HA3 -0.267 3.744 3.960 0.085 0.000 0.252 471 G C 0.507 175.510 174.900 0.171 0.000 0.994 471 G CA 0.569 45.706 45.100 0.063 0.000 0.698 471 G HN 0.454 nan 8.290 nan 0.000 0.521 472 L N -0.427 120.828 121.223 0.053 0.000 2.653 472 L HA 0.269 4.660 4.340 0.085 0.000 0.231 472 L C 2.120 178.915 176.870 -0.124 0.000 1.153 472 L CA 0.175 54.991 54.840 -0.040 0.000 0.933 472 L CB 0.167 42.153 42.059 -0.122 0.000 1.175 472 L HN 0.138 nan 8.230 nan 0.000 0.473 473 E N 0.758 120.976 120.200 0.030 0.000 2.171 473 E HA -0.271 4.130 4.350 0.085 0.000 0.197 473 E C 1.780 178.401 176.600 0.035 0.000 0.997 473 E CA 1.700 58.115 56.400 0.026 0.000 0.810 473 E CB -0.301 29.439 29.700 0.065 0.000 0.738 473 E HN 0.636 nan 8.360 nan 0.000 0.467 474 F N -0.393 119.583 119.950 0.043 0.000 2.494 474 F HA -0.083 4.494 4.527 0.084 0.000 0.298 474 F C 1.694 177.552 175.800 0.096 0.000 1.106 474 F CA 0.676 58.712 58.000 0.060 0.000 1.452 474 F CB -0.743 38.293 39.000 0.059 0.000 1.085 474 F HN -0.018 nan 8.300 nan 0.000 0.569 475 V N -1.411 118.171 119.914 -0.553 0.000 3.461 475 V HA 0.033 4.204 4.120 0.085 0.000 0.267 475 V C 0.828 176.899 176.094 -0.039 0.000 1.186 475 V CA 0.147 62.294 62.300 -0.255 0.000 1.154 475 V CB -1.819 29.868 31.823 -0.226 0.000 0.802 475 V HN 0.477 nan 8.190 nan 0.000 0.474 476 N N 1.440 120.113 118.700 -0.044 0.000 2.301 476 N HA 0.209 5.000 4.740 0.085 0.000 0.267 476 N C 1.395 176.905 175.510 -0.000 0.000 1.304 476 N CA 0.976 54.019 53.050 -0.012 0.000 0.851 476 N CB 0.065 38.553 38.487 0.001 0.000 1.070 476 N HN 0.700 nan 8.380 nan 0.000 0.483 477 G N 2.501 111.293 108.800 -0.014 0.000 2.234 477 G HA2 -0.344 3.667 3.960 0.085 0.000 0.260 477 G HA3 -0.344 3.667 3.960 0.085 0.000 0.260 477 G C 0.249 175.136 174.900 -0.022 0.000 0.987 477 G CA 0.453 45.547 45.100 -0.010 0.000 0.625 477 G HN 0.658 nan 8.290 nan 0.000 0.532 478 K N 1.031 121.394 120.400 -0.063 0.000 2.270 478 K HA 0.425 4.795 4.320 0.085 0.000 0.276 478 K C -0.141 176.250 176.600 -0.348 0.000 1.023 478 K CA -0.581 55.592 56.287 -0.191 0.000 0.955 478 K CB 0.189 32.515 32.500 -0.289 0.000 0.975 478 K HN 0.389 nan 8.250 nan 0.000 0.471 479 H N 3.281 122.102 119.070 -0.414 0.000 2.458 479 H HA 0.273 4.880 4.556 0.085 0.000 0.330 479 H C -0.826 174.190 175.328 -0.520 0.000 1.111 479 H CA -0.339 55.536 56.048 -0.287 0.000 1.245 479 H CB 0.836 30.517 29.762 -0.134 0.000 1.456 479 H HN 0.393 nan 8.280 nan 0.000 0.488 480 F N 0.341 120.340 119.950 0.082 0.000 2.579 480 F HA 0.297 4.876 4.527 0.086 0.000 0.324 480 F C 0.487 176.323 175.800 0.059 0.000 1.058 480 F CA -0.837 57.199 58.000 0.060 0.000 0.944 480 F CB 1.482 40.497 39.000 0.025 0.000 1.245 480 F HN 0.144 nan 8.300 nan 0.000 0.477 481 K N -0.166 120.378 120.400 0.241 0.000 2.185 481 K HA 0.356 4.727 4.320 0.085 0.000 0.240 481 K C -0.707 175.968 176.600 0.124 0.000 0.983 481 K CA -1.165 55.209 56.287 0.145 0.000 0.873 481 K CB 1.715 34.274 32.500 0.099 0.000 1.118 481 K HN 0.655 nan 8.250 nan 0.000 0.441 482 N N 0.298 119.047 118.700 0.081 0.000 2.412 482 N HA 0.151 4.942 4.740 0.085 0.000 0.258 482 N C 1.106 176.647 175.510 0.051 0.000 1.236 482 N CA 2.021 55.103 53.050 0.055 0.000 0.882 482 N CB 0.184 38.693 38.487 0.037 0.000 1.066 482 N HN 0.859 nan 8.380 nan 0.000 0.465 483 G N 2.063 110.887 108.800 0.039 0.000 2.199 483 G HA2 -0.263 3.748 3.960 0.085 0.000 0.254 483 G HA3 -0.263 3.748 3.960 0.085 0.000 0.254 483 G C -0.242 174.688 174.900 0.050 0.000 0.982 483 G CA 0.150 45.271 45.100 0.035 0.000 0.632 483 G HN 0.682 nan 8.290 nan 0.000 0.529 484 D N 0.484 120.931 120.400 0.078 0.000 2.472 484 D HA 0.405 5.096 4.640 0.085 0.000 0.237 484 D C 0.910 177.251 176.300 0.068 0.000 1.141 484 D CA 0.442 54.508 54.000 0.110 0.000 0.875 484 D CB 0.624 41.554 40.800 0.216 0.000 1.192 484 D HN 0.389 nan 8.370 nan 0.000 0.450 485 I N 3.087 123.708 120.570 0.085 0.000 2.354 485 I HA 0.327 4.548 4.170 0.085 0.000 0.292 485 I C 0.399 176.574 176.117 0.096 0.000 0.989 485 I CA -0.560 60.782 61.300 0.071 0.000 1.188 485 I CB 1.060 39.105 38.000 0.075 0.000 1.342 485 I HN 0.116 nan 8.210 nan 0.000 0.457 486 I N 0.000 120.610 120.570 0.066 0.000 2.984 486 I HA 0.000 4.221 4.170 0.085 0.000 0.288 486 I CA 0.000 61.368 61.300 0.113 0.000 1.566 486 I CB 0.000 37.967 38.000 -0.055 0.000 1.214 486 I HN 0.000 nan 8.210 nan 0.000 0.494