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 1o94_1_B DATA FIRST_RESID 1 DATA SEQUENCE ARDPKHDILF EPIQIGPKTL RNRFYQVPHC IGAGSDKPGF QSAHRSVKAE DATA SEQUENCE GGWAALNTEY CSINPESDDT HRLSARIWDE GDVRNLKAMT DEVHKYGALA DATA SEQUENCE GVELWYGGAH APNMESRATP RGPSQYASEF ETLSYCKEMD LSDIAQVQQF DATA SEQUENCE YVDAAKRSRD AGFDIVYVYG AHSYLPLQFL NPYYNKRTDK YGGSLENRAR DATA SEQUENCE FWLETLEKVK HAVGSDCAIA TRFGVDTVYG PGQIEAEVDG QKFVEMADSL DATA SEQUENCE VDMWDITIGD IAEWGEDAGP SRFYQQGHTI PWVKLVKQVS KKPVLGVGRY DATA SEQUENCE TDPEKMIEIV TKGYADIIGC ARPSIADPFL PQKVEQGRYD DIRVCIGCNV DATA SEQUENCE CISRWEIGGP PMICTQNATA GEEYRRGWHP EKFRQTKNKD SVLIVGAGPS DATA SEQUENCE GSEAARVLME SGYTVHLTDT AEKIGGHLNQ VAALPGLGEW SYHRDYRETQ DATA SEQUENCE ITKLLKKNKE SQLALGQKPM TADDVLQYGA DKVIIATGAR WNTDGTNCLT DATA SEQUENCE HDPIPGADAS LPDQLTPEQV MDGKKKIGKR VVILNADTYF MAPSLAEKLA DATA SEQUENCE TAGHEVTIVS GVHLANYMHF TLEYPNMMRR LHELHVEELG DHFCSRIEPG DATA SEQUENCE RMEIYNIWGD GSKRTYRGPG VSPRDANTSH RWIEFDSLVL VTGRHSECTL DATA SEQUENCE WNELKARESE WAENDIKGIY LIGDAEAPRL IADATFTGHR VAREIEEANP DATA SEQUENCE QIAIPYKRET IAWGTPHMPG GNFKIEYKV VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.645 177.584 0.102 0.000 1.274 1 A CA 0.000 52.065 52.037 0.046 0.000 0.836 1 A CB 0.000 19.026 19.000 0.042 0.000 0.831 2 R N 1.663 122.204 120.500 0.067 0.000 2.583 2 R HA 0.082 4.481 4.340 0.099 0.000 0.274 2 R C -0.354 176.058 176.300 0.186 0.000 0.998 2 R CA 0.047 56.248 56.100 0.168 0.000 1.081 2 R CB 0.400 30.744 30.300 0.074 0.000 0.940 2 R HN 0.730 nan 8.270 nan 0.000 0.413 3 D N 5.078 125.624 120.400 0.243 0.000 2.450 3 D HA 0.005 4.704 4.640 0.099 0.000 0.247 3 D C -1.652 174.611 176.300 -0.061 0.000 1.162 3 D CA -1.789 52.176 54.000 -0.058 0.000 0.879 3 D CB 1.465 41.999 40.800 -0.443 0.000 1.163 3 D HN 0.379 nan 8.370 nan 0.000 0.472 4 P HA -0.106 nan 4.420 nan 0.000 0.219 4 P C 0.920 178.222 177.300 0.005 0.000 1.146 4 P CA 1.162 64.266 63.100 0.007 0.000 0.808 4 P CB 0.237 31.937 31.700 -0.000 0.000 0.779 5 K N -1.314 119.037 120.400 -0.082 0.000 2.280 5 K HA -0.146 4.234 4.320 0.099 0.000 0.202 5 K C 1.506 178.153 176.600 0.078 0.000 1.047 5 K CA 1.054 57.312 56.287 -0.049 0.000 0.942 5 K CB -0.552 31.876 32.500 -0.120 0.000 0.739 5 K HN 0.481 nan 8.250 nan 0.000 0.457 6 H N -0.086 119.069 119.070 0.142 0.000 2.539 6 H HA 0.019 4.634 4.556 0.099 0.000 0.267 6 H C 0.934 176.442 175.328 0.300 0.000 0.982 6 H CA -0.395 55.783 56.048 0.217 0.000 1.146 6 H CB 0.331 30.294 29.762 0.336 0.000 1.382 6 H HN 0.147 nan 8.280 nan 0.000 0.577 7 D N 1.140 121.733 120.400 0.322 0.000 2.182 7 D HA -0.167 4.532 4.640 0.099 0.000 0.201 7 D C 2.021 178.481 176.300 0.266 0.000 0.986 7 D CA 0.683 54.873 54.000 0.316 0.000 0.847 7 D CB -0.099 40.800 40.800 0.165 0.000 0.942 7 D HN 0.462 nan 8.370 nan 0.000 0.467 8 I N 0.424 121.082 120.570 0.147 0.000 2.530 8 I HA -0.225 4.005 4.170 0.099 0.000 0.257 8 I C 1.657 177.748 176.117 -0.043 0.000 1.179 8 I CA 0.816 62.145 61.300 0.049 0.000 1.440 8 I CB 0.126 38.132 38.000 0.010 0.000 1.087 8 I HN -0.034 nan 8.210 nan 0.000 0.440 9 L N -0.511 120.642 121.223 -0.117 0.000 2.478 9 L HA -0.056 4.343 4.340 0.099 0.000 0.223 9 L C 1.140 177.589 176.870 -0.703 0.000 1.140 9 L CA 0.569 55.103 54.840 -0.510 0.000 0.842 9 L CB -0.328 41.300 42.059 -0.719 0.000 0.953 9 L HN 0.188 nan 8.230 nan 0.000 0.452 10 F N -0.579 119.418 119.950 0.078 0.000 2.664 10 F HA 0.182 4.768 4.527 0.099 0.000 0.303 10 F C 0.936 176.772 175.800 0.059 0.000 1.092 10 F CA -0.481 57.577 58.000 0.096 0.000 1.305 10 F CB 0.089 39.151 39.000 0.104 0.000 1.054 10 F HN -0.028 nan 8.300 nan 0.000 0.565 11 E N 3.420 123.676 120.200 0.093 0.000 2.313 11 E HA 0.153 4.562 4.350 0.099 0.000 0.276 11 E C -2.151 174.477 176.600 0.047 0.000 1.031 11 E CA -2.042 54.400 56.400 0.071 0.000 0.857 11 E CB 0.530 30.255 29.700 0.041 0.000 1.040 11 E HN -0.069 nan 8.360 nan 0.000 0.408 12 P HA 0.147 nan 4.420 nan 0.000 0.273 12 P C -0.578 176.743 177.300 0.036 0.000 1.250 12 P CA 0.026 63.158 63.100 0.053 0.000 0.793 12 P CB 1.037 32.770 31.700 0.056 0.000 1.011 13 I N -0.470 120.125 120.570 0.042 0.000 2.722 13 I HA 0.208 4.437 4.170 0.099 0.000 0.292 13 I C -1.023 175.117 176.117 0.039 0.000 1.267 13 I CA -1.014 60.305 61.300 0.032 0.000 1.036 13 I CB 2.405 40.417 38.000 0.020 0.000 1.281 13 I HN 0.148 nan 8.210 nan 0.000 0.423 14 Q N 6.947 126.764 119.800 0.029 0.000 2.304 14 Q HA 0.518 4.917 4.340 0.099 0.000 0.260 14 Q C -1.064 174.951 176.000 0.024 0.000 0.965 14 Q CA 0.034 55.853 55.803 0.027 0.000 0.898 14 Q CB 0.839 29.588 28.738 0.018 0.000 1.196 14 Q HN 0.523 nan 8.270 nan 0.000 0.402 15 I N 2.218 122.804 120.570 0.027 0.000 2.466 15 I HA 0.758 4.987 4.170 0.099 0.000 0.279 15 I C 0.708 176.825 176.117 0.001 0.000 1.033 15 I CA -0.483 60.824 61.300 0.012 0.000 1.123 15 I CB 1.041 39.056 38.000 0.024 0.000 1.237 15 I HN 0.750 nan 8.210 nan 0.000 0.460 16 G N 7.274 116.066 108.800 -0.013 0.000 2.660 16 G HA2 -0.291 3.729 3.960 0.099 0.000 0.321 16 G HA3 -0.291 3.729 3.960 0.099 0.000 0.321 16 G C -1.498 173.400 174.900 -0.003 0.000 1.246 16 G CA 0.496 45.587 45.100 -0.015 0.000 1.000 16 G HN 0.612 nan 8.290 nan 0.000 0.550 17 P HA 0.269 nan 4.420 nan 0.000 0.257 17 P C 0.095 177.402 177.300 0.012 0.000 1.325 17 P CA 0.808 63.910 63.100 0.004 0.000 0.850 17 P CB 0.351 32.053 31.700 0.002 0.000 1.324 18 K N -0.469 119.943 120.400 0.020 0.000 2.400 18 K HA 0.544 4.923 4.320 0.099 0.000 0.246 18 K C -0.402 176.221 176.600 0.040 0.000 0.995 18 K CA -0.386 55.920 56.287 0.032 0.000 0.840 18 K CB 1.815 34.345 32.500 0.050 0.000 1.293 18 K HN -0.267 nan 8.250 nan 0.000 0.445 19 T N 1.654 116.236 114.554 0.046 0.000 2.809 19 T HA 0.431 4.840 4.350 0.099 0.000 0.284 19 T C 0.077 174.822 174.700 0.076 0.000 0.992 19 T CA -0.654 61.478 62.100 0.054 0.000 0.957 19 T CB 0.764 69.657 68.868 0.042 0.000 0.942 19 T HN 0.237 nan 8.240 nan 0.000 0.439 20 L N 4.007 125.286 121.223 0.094 0.000 2.331 20 L HA 0.384 4.783 4.340 0.099 0.000 0.278 20 L C 2.058 178.989 176.870 0.102 0.000 1.106 20 L CA -0.593 54.319 54.840 0.121 0.000 0.824 20 L CB 0.906 43.062 42.059 0.162 0.000 1.142 20 L HN 0.716 nan 8.230 nan 0.000 0.443 21 R N 1.641 122.206 120.500 0.108 0.000 2.148 21 R HA -0.020 4.379 4.340 0.099 0.000 0.223 21 R C 0.110 176.481 176.300 0.118 0.000 1.088 21 R CA 0.977 57.140 56.100 0.105 0.000 0.985 21 R CB -0.234 30.131 30.300 0.108 0.000 0.880 21 R HN 0.816 nan 8.270 nan 0.000 0.451 22 N N -1.104 117.666 118.700 0.117 0.000 3.439 22 N HA 0.180 4.979 4.740 0.099 0.000 0.313 22 N C -0.501 175.017 175.510 0.014 0.000 1.598 22 N CA -1.166 51.927 53.050 0.071 0.000 0.830 22 N CB 0.614 39.176 38.487 0.124 0.000 1.849 22 N HN -0.129 nan 8.380 nan 0.000 0.598 23 R N -1.211 119.185 120.500 -0.173 0.000 2.359 23 R HA 0.325 4.724 4.340 0.099 0.000 0.231 23 R C -0.492 175.637 176.300 -0.285 0.000 0.913 23 R CA -0.112 55.841 56.100 -0.245 0.000 1.075 23 R CB -0.273 29.800 30.300 -0.378 0.000 1.087 23 R HN 0.335 nan 8.270 nan 0.000 0.515 24 F N 0.656 120.562 119.950 -0.073 0.000 2.404 24 F HA 0.205 4.792 4.527 0.099 0.000 0.358 24 F C -0.187 175.837 175.800 0.373 0.000 1.120 24 F CA -0.703 57.280 58.000 -0.029 0.000 1.144 24 F CB 0.642 39.302 39.000 -0.567 0.000 1.133 24 F HN -0.073 nan 8.300 nan 0.000 0.495 25 Y N 4.005 124.665 120.300 0.600 0.000 2.329 25 Y HA 0.229 4.838 4.550 0.099 0.000 0.328 25 Y C -0.530 175.630 175.900 0.432 0.000 0.992 25 Y CA -1.023 57.360 58.100 0.473 0.000 1.151 25 Y CB 1.090 39.712 38.460 0.270 0.000 1.150 25 Y HN 0.497 nan 8.280 nan 0.000 0.450 26 Q N 6.903 126.780 119.800 0.128 0.000 2.344 26 Q HA 0.348 4.747 4.340 0.099 0.000 0.253 26 Q C -0.355 175.680 176.000 0.059 0.000 1.050 26 Q CA -0.358 55.396 55.803 -0.082 0.000 0.912 26 Q CB 0.525 29.050 28.738 -0.355 0.000 1.258 26 Q HN 0.734 nan 8.270 nan 0.000 0.443 27 V N 2.751 122.841 119.914 0.292 0.000 3.319 27 V HA 0.378 4.557 4.120 0.099 0.000 0.303 27 V C -2.349 173.785 176.094 0.067 0.000 1.094 27 V CA -1.746 60.745 62.300 0.318 0.000 1.106 27 V CB -0.081 31.909 31.823 0.278 0.000 1.099 27 V HN 0.665 nan 8.190 nan 0.000 0.476 28 P HA 0.275 nan 4.420 nan 0.000 0.263 28 P C -1.096 176.074 177.300 -0.216 0.000 1.195 28 P CA 0.785 63.713 63.100 -0.286 0.000 0.762 28 P CB -0.143 31.235 31.700 -0.538 0.000 0.799 29 H N 0.432 119.339 119.070 -0.272 0.000 2.974 29 H HA 0.471 5.087 4.556 0.099 0.000 0.366 29 H C -0.466 174.666 175.328 -0.328 0.000 1.155 29 H CA -1.278 54.586 56.048 -0.306 0.000 1.186 29 H CB -0.071 29.576 29.762 -0.192 0.000 1.799 29 H HN 0.510 nan 8.280 nan 0.000 0.541 30 C N 3.030 122.119 119.300 -0.352 0.000 2.665 30 C HA 0.378 4.898 4.460 0.099 0.000 0.416 30 C C 1.466 176.374 174.990 -0.137 0.000 1.305 30 C CA 0.191 58.991 59.018 -0.363 0.000 1.903 30 C CB -1.304 25.947 27.740 -0.815 0.000 2.704 30 C HN 1.034 nan 8.230 nan 0.000 0.629 31 I N -0.378 120.070 120.570 -0.203 0.000 4.541 31 I HA 0.457 4.686 4.170 0.099 0.000 0.337 31 I C 1.145 177.167 176.117 -0.158 0.000 1.338 31 I CA 0.359 61.533 61.300 -0.210 0.000 1.244 31 I CB -0.308 37.374 38.000 -0.529 0.000 1.417 31 I HN 1.174 nan 8.210 nan 0.000 0.501 32 G N 2.049 110.802 108.800 -0.078 0.000 2.137 32 G HA2 -0.235 3.784 3.960 0.099 0.000 0.237 32 G HA3 -0.235 3.784 3.960 0.099 0.000 0.237 32 G C 0.642 175.468 174.900 -0.123 0.000 1.002 32 G CA 0.524 45.636 45.100 0.019 0.000 0.702 32 G HN 0.815 nan 8.290 nan 0.000 0.515 33 A N -1.104 121.478 122.820 -0.397 0.000 1.988 33 A HA 0.712 5.091 4.320 0.099 0.000 0.201 33 A C 2.548 179.978 177.584 -0.256 0.000 1.410 33 A CA 1.877 53.672 52.037 -0.405 0.000 0.832 33 A CB -0.391 18.093 19.000 -0.862 0.000 0.981 33 A HN 2.493 nan 8.150 nan 0.000 0.492 34 G N -0.359 108.281 108.800 -0.266 0.000 2.566 34 G HA2 -0.273 3.746 3.960 0.099 0.000 0.280 34 G HA3 -0.273 3.746 3.960 0.099 0.000 0.280 34 G C 0.719 175.492 174.900 -0.211 0.000 1.225 34 G CA 0.488 45.450 45.100 -0.231 0.000 0.966 34 G HN 0.917 nan 8.290 nan 0.000 0.560 35 S N 0.725 116.299 115.700 -0.210 0.000 2.634 35 S HA 0.236 4.766 4.470 0.099 0.000 0.221 35 S C 1.091 175.609 174.600 -0.137 0.000 0.952 35 S CA 1.030 59.134 58.200 -0.161 0.000 0.930 35 S CB 0.205 63.294 63.200 -0.184 0.000 0.780 35 S HN 0.512 nan 8.310 nan 0.000 0.498 36 D N 1.513 121.823 120.400 -0.151 0.000 2.355 36 D HA 0.088 4.788 4.640 0.099 0.000 0.206 36 D C 0.396 176.654 176.300 -0.071 0.000 1.010 36 D CA 0.726 54.656 54.000 -0.117 0.000 0.875 36 D CB 0.330 41.058 40.800 -0.119 0.000 0.966 36 D HN 0.055 nan 8.370 nan 0.000 0.512 37 K N 1.193 121.543 120.400 -0.085 0.000 2.679 37 K HA 0.223 4.603 4.320 0.099 0.000 0.188 37 K C -2.152 174.375 176.600 -0.123 0.000 1.055 37 K CA -1.472 54.785 56.287 -0.050 0.000 1.006 37 K CB 2.018 34.553 32.500 0.059 0.000 1.317 37 K HN -0.014 nan 8.250 nan 0.000 0.584 38 P HA -0.133 nan 4.420 nan 0.000 0.219 38 P C 1.365 178.488 177.300 -0.295 0.000 1.150 38 P CA 0.982 63.975 63.100 -0.178 0.000 0.814 38 P CB 0.365 31.990 31.700 -0.125 0.000 0.787 39 G N -0.177 108.281 108.800 -0.570 0.000 2.433 39 G HA2 -0.276 3.743 3.960 0.099 0.000 0.216 39 G HA3 -0.276 3.743 3.960 0.099 0.000 0.216 39 G C 1.535 176.040 174.900 -0.659 0.000 1.186 39 G CA 0.307 44.647 45.100 -1.266 0.000 0.779 39 G HN 0.266 nan 8.290 nan 0.000 0.543 40 F N 1.002 120.640 119.950 -0.520 0.000 2.095 40 F HA -0.203 4.383 4.527 0.099 0.000 0.298 40 F C 2.893 178.631 175.800 -0.104 0.000 1.104 40 F CA 1.791 59.696 58.000 -0.159 0.000 1.232 40 F CB 0.060 38.991 39.000 -0.115 0.000 0.987 40 F HN 0.280 nan 8.300 nan 0.000 0.475 41 Q N 1.187 120.918 119.800 -0.114 0.000 2.061 41 Q HA -0.228 4.172 4.340 0.099 0.000 0.204 41 Q C 2.287 178.246 176.000 -0.069 0.000 0.984 41 Q CA 2.894 58.578 55.803 -0.199 0.000 0.846 41 Q CB -0.439 28.172 28.738 -0.212 0.000 0.902 41 Q HN 0.504 nan 8.270 nan 0.000 0.421 42 S N -0.522 115.137 115.700 -0.068 0.000 2.371 42 S HA -0.010 4.519 4.470 0.099 0.000 0.224 42 S C 2.124 176.750 174.600 0.043 0.000 1.029 42 S CA 0.845 59.025 58.200 -0.033 0.000 0.978 42 S CB -0.772 62.397 63.200 -0.052 0.000 0.833 42 S HN 0.481 nan 8.310 nan 0.000 0.466 43 A N 2.024 124.906 122.820 0.104 0.000 1.858 43 A HA -0.127 4.252 4.320 0.099 0.000 0.216 43 A C 2.133 179.806 177.584 0.148 0.000 1.190 43 A CA 1.978 54.114 52.037 0.165 0.000 0.617 43 A CB -1.555 17.603 19.000 0.262 0.000 0.827 43 A HN 0.722 nan 8.150 nan 0.000 0.443 44 H N -0.298 118.854 119.070 0.136 0.000 2.353 44 H HA -0.110 4.505 4.556 0.099 0.000 0.298 44 H C 2.176 177.504 175.328 0.001 0.000 1.103 44 H CA 2.197 58.313 56.048 0.113 0.000 1.293 44 H CB 0.091 29.981 29.762 0.214 0.000 1.372 44 H HN 0.263 nan 8.280 nan 0.000 0.501 45 R N -0.185 120.277 120.500 -0.064 0.000 2.093 45 R HA -0.002 4.397 4.340 0.099 0.000 0.224 45 R C 2.627 178.856 176.300 -0.117 0.000 1.101 45 R CA 1.152 57.163 56.100 -0.147 0.000 0.979 45 R CB -0.954 29.286 30.300 -0.101 0.000 0.877 45 R HN 0.560 nan 8.270 nan 0.000 0.441 46 S N 0.961 116.630 115.700 -0.053 0.000 2.436 46 S HA -0.084 4.445 4.470 0.099 0.000 0.228 46 S C 2.173 176.652 174.600 -0.201 0.000 1.014 46 S CA 0.907 59.084 58.200 -0.039 0.000 0.950 46 S CB -0.757 62.513 63.200 0.117 0.000 0.784 46 S HN 0.157 nan 8.310 nan 0.000 0.504 47 V N 0.561 120.380 119.914 -0.159 0.000 2.407 47 V HA -0.120 4.059 4.120 0.099 0.000 0.248 47 V C 2.259 178.242 176.094 -0.185 0.000 1.055 47 V CA 1.802 63.995 62.300 -0.178 0.000 1.049 47 V CB -1.084 30.631 31.823 -0.180 0.000 0.662 47 V HN 0.387 nan 8.190 nan 0.000 0.455 48 K N 1.260 121.546 120.400 -0.190 0.000 2.057 48 K HA 0.026 4.406 4.320 0.099 0.000 0.207 48 K C 2.514 179.101 176.600 -0.023 0.000 1.049 48 K CA 1.517 57.745 56.287 -0.099 0.000 0.931 48 K CB -0.622 31.713 32.500 -0.275 0.000 0.714 48 K HN 0.581 nan 8.250 nan 0.000 0.440 49 A N 1.817 124.590 122.820 -0.079 0.000 1.883 49 A HA -0.279 4.100 4.320 0.099 0.000 0.217 49 A C 2.130 179.627 177.584 -0.146 0.000 1.186 49 A CA 1.925 53.950 52.037 -0.019 0.000 0.624 49 A CB -0.574 18.476 19.000 0.082 0.000 0.822 49 A HN 0.449 nan 8.150 nan 0.000 0.444 50 E N -0.552 119.370 120.200 -0.464 0.000 2.085 50 E HA -0.137 4.272 4.350 0.099 0.000 0.194 50 E C 1.894 178.158 176.600 -0.560 0.000 0.994 50 E CA 1.023 57.119 56.400 -0.506 0.000 0.801 50 E CB -0.471 28.843 29.700 -0.645 0.000 0.743 50 E HN 0.514 nan 8.360 nan 0.000 0.453 51 G N -0.688 107.508 108.800 -1.007 0.000 2.708 51 G HA2 -0.021 3.998 3.960 0.099 0.000 0.210 51 G HA3 -0.021 3.998 3.960 0.099 0.000 0.210 51 G C 1.060 175.550 174.900 -0.683 0.000 1.141 51 G CA 0.609 44.797 45.100 -1.520 0.000 0.788 51 G HN 0.573 nan 8.290 nan 0.000 0.531 52 G N -1.997 106.581 108.800 -0.369 0.000 2.195 52 G HA2 -0.227 3.792 3.960 0.099 0.000 0.224 52 G HA3 -0.227 3.792 3.960 0.099 0.000 0.224 52 G C 0.211 174.971 174.900 -0.233 0.000 0.990 52 G CA -0.265 44.675 45.100 -0.267 0.000 0.639 52 G HN 0.296 nan 8.290 nan 0.000 0.514 53 W N 0.724 121.945 121.300 -0.132 0.000 2.223 53 W HA 0.533 5.252 4.660 0.099 0.000 0.334 53 W C 1.412 177.943 176.519 0.019 0.000 1.334 53 W CA 0.362 57.695 57.345 -0.019 0.000 1.246 53 W CB 0.807 30.238 29.460 -0.049 0.000 1.184 53 W HN 0.319 nan 8.180 nan 0.000 0.563 54 A N 3.095 126.072 122.820 0.262 0.000 2.016 54 A HA 0.423 4.803 4.320 0.099 0.000 0.217 54 A C 0.845 178.508 177.584 0.130 0.000 1.162 54 A CA 1.276 53.425 52.037 0.186 0.000 0.662 54 A CB -0.263 18.855 19.000 0.198 0.000 0.812 54 A HN 0.637 nan 8.150 nan 0.000 0.450 55 A N -0.534 122.317 122.820 0.051 0.000 2.488 55 A HA 0.624 5.003 4.320 0.099 0.000 0.298 55 A C -1.388 176.074 177.584 -0.203 0.000 1.044 55 A CA -0.424 51.534 52.037 -0.132 0.000 0.693 55 A CB 1.055 19.811 19.000 -0.408 0.000 1.272 55 A HN 0.128 nan 8.150 nan 0.000 0.402 56 L N 2.643 123.791 121.223 -0.125 0.000 2.356 56 L HA 0.517 4.916 4.340 0.099 0.000 0.277 56 L C -0.526 176.284 176.870 -0.100 0.000 0.996 56 L CA -0.448 54.310 54.840 -0.136 0.000 0.822 56 L CB 1.589 43.591 42.059 -0.094 0.000 1.256 56 L HN 0.747 nan 8.230 nan 0.000 0.413 57 N N 0.843 119.459 118.700 -0.140 0.000 2.370 57 N HA 0.416 5.215 4.740 0.099 0.000 0.303 57 N C 0.026 175.433 175.510 -0.171 0.000 1.103 57 N CA -0.291 52.703 53.050 -0.094 0.000 0.848 57 N CB 2.658 41.093 38.487 -0.086 0.000 1.235 57 N HN 0.645 nan 8.380 nan 0.000 0.496 58 T N -1.449 113.024 114.554 -0.136 0.000 2.748 58 T HA 0.046 4.456 4.350 0.099 0.000 0.304 58 T C 0.783 175.304 174.700 -0.298 0.000 1.041 58 T CA -0.508 61.472 62.100 -0.201 0.000 1.033 58 T CB 0.615 69.377 68.868 -0.177 0.000 0.995 58 T HN 0.484 nan 8.240 nan 0.000 0.536 59 E N 1.042 121.058 120.200 -0.308 0.000 2.605 59 E HA 0.060 4.470 4.350 0.099 0.000 0.255 59 E C 0.051 176.518 176.600 -0.223 0.000 1.369 59 E CA -0.842 55.384 56.400 -0.289 0.000 1.017 59 E CB -0.033 29.541 29.700 -0.210 0.000 1.086 59 E HN 0.865 nan 8.360 nan 0.000 0.605 60 Y N -1.646 118.326 120.300 -0.546 0.000 2.810 60 Y HA 0.133 4.742 4.550 0.099 0.000 0.332 60 Y C -0.159 175.575 175.900 -0.277 0.000 1.243 60 Y CA -1.130 56.669 58.100 -0.503 0.000 1.537 60 Y CB 0.271 38.283 38.460 -0.747 0.000 1.265 60 Y HN 0.341 nan 8.280 nan 0.000 0.572 61 C N 6.327 125.563 119.300 -0.107 0.000 2.386 61 C HA 0.394 4.913 4.460 0.099 0.000 0.318 61 C C 0.279 175.325 174.990 0.092 0.000 1.128 61 C CA -0.573 58.378 59.018 -0.113 0.000 1.438 61 C CB -0.432 27.222 27.740 -0.144 0.000 1.987 61 C HN 1.023 nan 8.230 nan 0.000 0.426 62 S N 4.122 119.908 115.700 0.145 0.000 2.552 62 S HA 0.149 4.679 4.470 0.099 0.000 0.289 62 S C 1.214 175.934 174.600 0.200 0.000 1.304 62 S CA -0.087 58.269 58.200 0.259 0.000 1.063 62 S CB 0.253 63.679 63.200 0.376 0.000 0.848 62 S HN 0.861 nan 8.310 nan 0.000 0.499 63 I N 1.698 122.311 120.570 0.071 0.000 3.728 63 I HA 0.380 4.609 4.170 0.099 0.000 0.307 63 I C 0.520 176.594 176.117 -0.071 0.000 1.276 63 I CA -0.026 61.290 61.300 0.026 0.000 1.285 63 I CB -0.100 37.822 38.000 -0.131 0.000 1.038 63 I HN 0.523 nan 8.210 nan 0.000 0.445 64 N N 0.713 119.284 118.700 -0.214 0.000 3.049 64 N HA 0.186 4.986 4.740 0.099 0.000 0.244 64 N C -2.615 172.282 175.510 -1.020 0.000 1.203 64 N CA -0.772 51.784 53.050 -0.822 0.000 0.945 64 N CB 1.949 39.781 38.487 -1.092 0.000 1.616 64 N HN -0.360 nan 8.380 nan 0.000 0.505 65 P HA -0.156 nan 4.420 nan 0.000 0.218 65 P C 0.747 177.682 177.300 -0.610 0.000 1.146 65 P CA 1.417 63.711 63.100 -1.344 0.000 0.820 65 P CB 0.080 31.068 31.700 -1.188 0.000 0.778 66 E N -1.253 118.645 120.200 -0.504 0.000 2.511 66 E HA -0.010 4.400 4.350 0.099 0.000 0.196 66 E C 0.361 176.667 176.600 -0.491 0.000 1.066 66 E CA 0.246 56.446 56.400 -0.332 0.000 0.871 66 E CB -0.270 29.346 29.700 -0.139 0.000 0.863 66 E HN -0.037 nan 8.360 nan 0.000 0.520 67 S N 1.051 116.384 115.700 -0.612 0.000 2.080 67 S HA 0.137 4.666 4.470 0.099 0.000 0.162 67 S C -1.404 172.989 174.600 -0.345 0.000 1.618 67 S CA -0.839 56.871 58.200 -0.816 0.000 1.200 67 S CB 0.398 62.751 63.200 -1.412 0.000 1.135 67 S HN 0.311 nan 8.310 nan 0.000 0.455 68 D N 1.563 121.919 120.400 -0.073 0.000 2.381 68 D HA 0.346 5.045 4.640 0.099 0.000 0.235 68 D C 0.411 176.863 176.300 0.253 0.000 1.068 68 D CA -0.449 53.670 54.000 0.200 0.000 0.832 68 D CB 1.582 42.481 40.800 0.164 0.000 1.101 68 D HN 0.193 nan 8.370 nan 0.000 0.515 69 D N 1.982 122.600 120.400 0.365 0.000 2.349 69 D HA 0.015 4.715 4.640 0.099 0.000 0.224 69 D C -0.100 176.300 176.300 0.166 0.000 1.029 69 D CA 0.305 54.512 54.000 0.345 0.000 0.879 69 D CB 0.100 41.109 40.800 0.349 0.000 0.906 69 D HN 0.398 nan 8.370 nan 0.000 0.528 70 T N -0.192 114.434 114.554 0.121 0.000 2.819 70 T HA -0.135 4.274 4.350 0.099 0.000 0.282 70 T C 1.284 176.076 174.700 0.154 0.000 1.013 70 T CA 0.530 62.684 62.100 0.089 0.000 1.159 70 T CB 0.215 69.134 68.868 0.085 0.000 1.007 70 T HN 0.455 nan 8.240 nan 0.000 0.514 71 H N 1.548 120.597 119.070 -0.035 0.000 2.547 71 H HA 0.201 4.816 4.556 0.099 0.000 0.272 71 H C 0.962 176.223 175.328 -0.113 0.000 0.989 71 H CA -0.214 55.793 56.048 -0.070 0.000 1.214 71 H CB 0.271 29.976 29.762 -0.094 0.000 1.389 71 H HN 0.359 nan 8.280 nan 0.000 0.577 72 R N 0.781 120.984 120.500 -0.495 0.000 2.615 72 R HA 0.239 4.638 4.340 0.099 0.000 0.270 72 R C -0.905 175.299 176.300 -0.160 0.000 1.081 72 R CA -0.891 54.889 56.100 -0.534 0.000 1.154 72 R CB 0.931 30.780 30.300 -0.752 0.000 1.063 72 R HN 0.167 nan 8.270 nan 0.000 0.519 73 L N 1.711 122.899 121.223 -0.058 0.000 2.265 73 L HA 0.262 4.661 4.340 0.099 0.000 0.289 73 L C -0.323 176.633 176.870 0.143 0.000 1.033 73 L CA 0.250 55.106 54.840 0.028 0.000 0.814 73 L CB 1.196 43.263 42.059 0.012 0.000 1.203 73 L HN 0.740 nan 8.230 nan 0.000 0.423 74 S N 4.180 119.787 115.700 -0.155 0.000 2.718 74 S HA 0.936 5.465 4.470 0.099 0.000 0.300 74 S C 0.127 174.482 174.600 -0.409 0.000 1.117 74 S CA -0.385 57.451 58.200 -0.606 0.000 1.002 74 S CB 1.373 63.711 63.200 -1.438 0.000 1.092 74 S HN 1.003 nan 8.310 nan 0.000 0.542 75 A N 1.162 123.731 122.820 -0.418 0.000 2.366 75 A HA 0.653 5.032 4.320 0.099 0.000 0.249 75 A C 0.263 177.632 177.584 -0.358 0.000 1.084 75 A CA -0.469 51.374 52.037 -0.323 0.000 0.794 75 A CB 0.020 18.867 19.000 -0.255 0.000 1.034 75 A HN 0.867 nan 8.150 nan 0.000 0.491 76 R N -0.442 119.826 120.500 -0.386 0.000 2.725 76 R HA 0.607 5.006 4.340 0.099 0.000 0.277 76 R C -1.075 175.016 176.300 -0.349 0.000 0.987 76 R CA -0.476 55.295 56.100 -0.547 0.000 0.901 76 R CB 1.994 31.559 30.300 -1.226 0.000 1.207 76 R HN 0.618 nan 8.270 nan 0.000 0.463 77 I N 2.318 122.776 120.570 -0.187 0.000 2.953 77 I HA 0.176 4.405 4.170 0.099 0.000 0.325 77 I C -0.383 175.832 176.117 0.163 0.000 1.421 77 I CA -0.246 61.047 61.300 -0.013 0.000 0.845 77 I CB 0.346 38.358 38.000 0.019 0.000 2.186 77 I HN 0.733 nan 8.210 nan 0.000 0.604 78 W N 1.836 123.112 121.300 -0.040 0.000 2.476 78 W HA 0.085 4.804 4.660 0.099 0.000 0.281 78 W C 0.663 177.163 176.519 -0.031 0.000 1.230 78 W CA 0.302 57.608 57.345 -0.065 0.000 1.287 78 W CB -0.539 28.876 29.460 -0.075 0.000 1.108 78 W HN 0.444 nan 8.180 nan 0.000 0.567 79 D N -4.340 116.193 120.400 0.223 0.000 2.779 79 D HA 0.051 4.751 4.640 0.099 0.000 0.331 79 D C 0.456 176.808 176.300 0.088 0.000 1.331 79 D CA -0.449 53.637 54.000 0.143 0.000 0.866 79 D CB 0.872 41.769 40.800 0.161 0.000 1.409 79 D HN -0.310 nan 8.370 nan 0.000 0.486 80 E N -1.115 119.112 120.200 0.046 0.000 2.268 80 E HA 0.076 4.485 4.350 0.099 0.000 0.195 80 E C 1.922 178.491 176.600 -0.051 0.000 0.995 80 E CA 1.311 57.713 56.400 0.004 0.000 0.836 80 E CB -0.718 28.977 29.700 -0.010 0.000 0.763 80 E HN 0.582 nan 8.360 nan 0.000 0.491 81 G N 1.029 109.771 108.800 -0.097 0.000 2.403 81 G HA2 -0.251 3.768 3.960 0.099 0.000 0.216 81 G HA3 -0.251 3.768 3.960 0.099 0.000 0.216 81 G C 1.277 176.087 174.900 -0.150 0.000 1.154 81 G CA 0.888 45.786 45.100 -0.338 0.000 0.784 81 G HN 0.330 nan 8.290 nan 0.000 0.538 82 D N 0.312 120.736 120.400 0.040 0.000 2.183 82 D HA -0.053 4.646 4.640 0.099 0.000 0.203 82 D C 2.763 179.073 176.300 0.016 0.000 0.969 82 D CA 0.403 54.425 54.000 0.036 0.000 0.842 82 D CB -0.152 40.646 40.800 -0.002 0.000 0.957 82 D HN 0.172 nan 8.370 nan 0.000 0.484 83 V N 1.486 121.412 119.914 0.020 0.000 2.287 83 V HA -0.255 3.924 4.120 0.099 0.000 0.248 83 V C 2.641 178.726 176.094 -0.015 0.000 1.053 83 V CA 1.705 64.021 62.300 0.027 0.000 1.027 83 V CB -0.457 31.384 31.823 0.029 0.000 0.646 83 V HN 0.168 nan 8.190 nan 0.000 0.447 84 R N 0.194 120.667 120.500 -0.045 0.000 2.083 84 R HA -0.206 4.193 4.340 0.099 0.000 0.237 84 R C 2.165 178.426 176.300 -0.065 0.000 1.137 84 R CA 2.271 58.332 56.100 -0.065 0.000 0.951 84 R CB -0.371 29.874 30.300 -0.091 0.000 0.851 84 R HN 0.515 nan 8.270 nan 0.000 0.434 85 N N 0.619 119.285 118.700 -0.056 0.000 2.120 85 N HA -0.119 4.680 4.740 0.099 0.000 0.188 85 N C 1.794 177.268 175.510 -0.061 0.000 1.024 85 N CA 1.211 54.230 53.050 -0.050 0.000 0.852 85 N CB -0.191 38.287 38.487 -0.015 0.000 1.003 85 N HN 0.247 nan 8.380 nan 0.000 0.424 86 L N 0.394 121.595 121.223 -0.035 0.000 2.179 86 L HA -0.009 4.390 4.340 0.099 0.000 0.208 86 L C 2.181 178.959 176.870 -0.154 0.000 1.096 86 L CA 0.726 55.553 54.840 -0.022 0.000 0.779 86 L CB -0.234 41.917 42.059 0.153 0.000 0.922 86 L HN 0.141 nan 8.230 nan 0.000 0.443 87 K N 0.671 120.976 120.400 -0.158 0.000 2.280 87 K HA -0.169 4.211 4.320 0.099 0.000 0.202 87 K C 2.063 178.551 176.600 -0.188 0.000 1.047 87 K CA 1.036 57.192 56.287 -0.219 0.000 0.942 87 K CB 0.013 32.429 32.500 -0.140 0.000 0.739 87 K HN 0.287 nan 8.250 nan 0.000 0.457 88 A N 1.196 123.935 122.820 -0.136 0.000 1.933 88 A HA -0.183 4.196 4.320 0.099 0.000 0.218 88 A C 2.088 179.595 177.584 -0.129 0.000 1.175 88 A CA 1.416 53.387 52.037 -0.109 0.000 0.628 88 A CB -0.455 18.491 19.000 -0.090 0.000 0.814 88 A HN 0.395 nan 8.150 nan 0.000 0.444 89 M N 0.634 120.138 119.600 -0.159 0.000 2.156 89 M HA -0.120 4.419 4.480 0.099 0.000 0.264 89 M C 2.297 178.439 176.300 -0.264 0.000 1.067 89 M CA 2.460 57.662 55.300 -0.163 0.000 1.131 89 M CB -0.983 31.541 32.600 -0.127 0.000 1.368 89 M HN 0.630 nan 8.290 nan 0.000 0.416 90 T N -1.921 112.371 114.554 -0.436 0.000 2.821 90 T HA -0.120 4.289 4.350 0.099 0.000 0.267 90 T C 1.428 175.729 174.700 -0.664 0.000 1.046 90 T CA 1.523 63.210 62.100 -0.688 0.000 1.139 90 T CB -0.560 67.770 68.868 -0.896 0.000 0.871 90 T HN 0.255 nan 8.240 nan 0.000 0.454 91 D N 1.156 121.345 120.400 -0.351 0.000 2.117 91 D HA -0.042 4.658 4.640 0.099 0.000 0.197 91 D C 2.205 178.443 176.300 -0.103 0.000 0.987 91 D CA 1.229 55.127 54.000 -0.170 0.000 0.829 91 D CB -0.331 40.414 40.800 -0.091 0.000 0.961 91 D HN 0.487 nan 8.370 nan 0.000 0.460 92 E N 0.154 120.301 120.200 -0.089 0.000 2.072 92 E HA -0.077 4.332 4.350 0.099 0.000 0.190 92 E C 2.098 178.755 176.600 0.094 0.000 0.982 92 E CA 0.360 56.773 56.400 0.023 0.000 0.803 92 E CB -0.122 29.616 29.700 0.063 0.000 0.755 92 E HN -0.022 nan 8.360 nan 0.000 0.453 93 V N 0.542 120.458 119.914 0.004 0.000 2.332 93 V HA -0.313 3.866 4.120 0.099 0.000 0.248 93 V C 1.898 178.082 176.094 0.149 0.000 1.055 93 V CA 2.387 64.725 62.300 0.064 0.000 1.038 93 V CB -0.663 31.124 31.823 -0.059 0.000 0.651 93 V HN 0.459 nan 8.190 nan 0.000 0.450 94 H N -0.212 118.871 119.070 0.021 0.000 2.421 94 H HA -0.160 4.456 4.556 0.099 0.000 0.298 94 H C 2.430 177.739 175.328 -0.032 0.000 1.087 94 H CA 1.425 57.470 56.048 -0.004 0.000 1.330 94 H CB 0.034 29.775 29.762 -0.036 0.000 1.388 94 H HN 0.380 nan 8.280 nan 0.000 0.526 95 K N 0.843 121.264 120.400 0.034 0.000 2.211 95 K HA -0.167 4.213 4.320 0.099 0.000 0.204 95 K C 0.894 177.304 176.600 -0.315 0.000 1.047 95 K CA 1.237 57.417 56.287 -0.179 0.000 0.935 95 K CB -0.639 31.673 32.500 -0.314 0.000 0.728 95 K HN 0.525 nan 8.250 nan 0.000 0.452 96 Y N -0.397 119.940 120.300 0.063 0.000 2.524 96 Y HA 0.366 4.975 4.550 0.099 0.000 0.266 96 Y C 1.720 177.651 175.900 0.051 0.000 1.180 96 Y CA -0.136 57.995 58.100 0.052 0.000 1.244 96 Y CB 0.337 38.824 38.460 0.045 0.000 1.125 96 Y HN 0.392 nan 8.280 nan 0.000 0.524 97 G N 0.163 109.044 108.800 0.135 0.000 2.143 97 G HA2 -0.194 3.825 3.960 0.099 0.000 0.248 97 G HA3 -0.194 3.825 3.960 0.099 0.000 0.248 97 G C 0.314 175.287 174.900 0.122 0.000 0.991 97 G CA 0.098 45.260 45.100 0.102 0.000 0.689 97 G HN 0.630 nan 8.290 nan 0.000 0.522 98 A N -0.638 122.281 122.820 0.165 0.000 2.269 98 A HA 0.885 5.264 4.320 0.099 0.000 0.319 98 A C 0.548 178.246 177.584 0.190 0.000 1.110 98 A CA -0.587 51.544 52.037 0.155 0.000 0.847 98 A CB 0.805 19.892 19.000 0.144 0.000 1.161 98 A HN 0.749 nan 8.150 nan 0.000 0.497 99 L N 0.221 121.536 121.223 0.153 0.000 2.421 99 L HA 0.628 5.027 4.340 0.099 0.000 0.263 99 L C 0.533 177.492 176.870 0.149 0.000 1.122 99 L CA -0.478 54.471 54.840 0.181 0.000 0.804 99 L CB 1.330 43.473 42.059 0.140 0.000 1.150 99 L HN 0.760 nan 8.230 nan 0.000 0.457 100 A N 0.586 123.522 122.820 0.193 0.000 2.365 100 A HA 0.835 5.214 4.320 0.099 0.000 0.318 100 A C -0.244 177.567 177.584 0.378 0.000 1.091 100 A CA -0.298 51.845 52.037 0.176 0.000 0.763 100 A CB 1.595 20.579 19.000 -0.026 0.000 1.248 100 A HN 0.765 nan 8.150 nan 0.000 0.442 101 G N -0.564 108.454 108.800 0.364 0.000 2.563 101 G HA2 0.639 4.658 3.960 0.099 0.000 0.302 101 G HA3 0.639 4.658 3.960 0.099 0.000 0.302 101 G C -1.497 173.387 174.900 -0.026 0.000 1.301 101 G CA -0.495 44.772 45.100 0.277 0.000 0.965 101 G HN 1.528 nan 8.290 nan 0.000 0.480 102 V N -0.005 119.698 119.914 -0.351 0.000 2.876 102 V HA 0.742 4.922 4.120 0.099 0.000 0.312 102 V C -0.985 175.001 176.094 -0.180 0.000 1.085 102 V CA -0.914 61.009 62.300 -0.627 0.000 0.945 102 V CB 2.015 32.996 31.823 -1.404 0.000 1.017 102 V HN 0.819 nan 8.190 nan 0.000 0.428 103 E N 5.723 125.806 120.200 -0.195 0.000 2.121 103 E HA 0.402 4.811 4.350 0.099 0.000 0.255 103 E C -1.084 175.542 176.600 0.044 0.000 0.906 103 E CA -0.572 55.746 56.400 -0.136 0.000 0.745 103 E CB 1.001 30.410 29.700 -0.486 0.000 1.155 103 E HN 0.734 nan 8.360 nan 0.000 0.424 104 L N 4.827 126.175 121.223 0.209 0.000 2.418 104 L HA 0.192 4.592 4.340 0.099 0.000 0.274 104 L C -0.339 176.801 176.870 0.450 0.000 1.135 104 L CA -0.113 54.888 54.840 0.268 0.000 0.870 104 L CB 0.110 42.363 42.059 0.324 0.000 1.154 104 L HN 0.555 nan 8.230 nan 0.000 0.462 105 W N 5.843 127.215 121.300 0.120 0.000 2.702 105 W HA 0.444 5.163 4.660 0.099 0.000 0.331 105 W C -1.581 174.953 176.519 0.026 0.000 1.049 105 W CA -0.988 56.450 57.345 0.153 0.000 1.230 105 W CB 1.036 30.563 29.460 0.112 0.000 1.408 105 W HN 0.253 nan 8.180 nan 0.000 0.492 106 Y N 4.734 124.634 120.300 -0.667 0.000 2.373 106 Y HA 0.498 5.107 4.550 0.099 0.000 0.336 106 Y C 0.717 176.040 175.900 -0.962 0.000 0.979 106 Y CA -0.271 57.293 58.100 -0.894 0.000 1.080 106 Y CB 2.317 40.550 38.460 -0.377 0.000 1.190 106 Y HN 0.625 nan 8.280 nan 0.000 0.446 107 G N 2.675 110.682 108.800 -1.322 0.000 2.838 107 G HA2 0.372 4.391 3.960 0.099 0.000 0.210 107 G HA3 0.372 4.391 3.960 0.099 0.000 0.210 107 G C 0.858 175.773 174.900 0.024 0.000 1.153 107 G CA 0.421 45.284 45.100 -0.394 0.000 0.778 107 G HN 1.364 nan 8.290 nan 0.000 0.539 108 G N 0.327 109.079 108.800 -0.080 0.000 2.582 108 G HA2 -0.010 4.010 3.960 0.099 0.000 0.288 108 G HA3 -0.010 4.010 3.960 0.099 0.000 0.288 108 G C 1.413 176.262 174.900 -0.085 0.000 1.247 108 G CA 1.033 46.151 45.100 0.030 0.000 0.972 108 G HN 1.210 nan 8.290 nan 0.000 0.557 109 A N -1.389 121.329 122.820 -0.170 0.000 2.168 109 A HA 0.156 4.535 4.320 0.099 0.000 0.215 109 A C 1.818 179.447 177.584 0.076 0.000 1.152 109 A CA 1.928 53.844 52.037 -0.202 0.000 0.716 109 A CB -0.542 18.077 19.000 -0.634 0.000 0.794 109 A HN 0.736 nan 8.150 nan 0.000 0.465 110 H N 0.092 119.337 119.070 0.292 0.000 2.521 110 H HA 0.163 4.778 4.556 0.099 0.000 0.286 110 H C 1.030 176.641 175.328 0.472 0.000 1.034 110 H CA 0.529 56.856 56.048 0.463 0.000 1.278 110 H CB -0.368 29.741 29.762 0.578 0.000 1.386 110 H HN 0.461 nan 8.280 nan 0.000 0.567 111 A N 2.873 125.929 122.820 0.393 0.000 2.279 111 A HA 0.271 4.650 4.320 0.099 0.000 0.306 111 A C -1.383 176.304 177.584 0.172 0.000 1.300 111 A CA -1.315 50.917 52.037 0.326 0.000 0.925 111 A CB 0.830 19.859 19.000 0.048 0.000 1.152 111 A HN 0.031 nan 8.150 nan 0.000 0.544 112 P HA -0.036 nan 4.420 nan 0.000 0.241 112 P C -0.285 177.051 177.300 0.060 0.000 1.191 112 P CA 0.137 63.298 63.100 0.101 0.000 0.771 112 P CB -0.055 31.706 31.700 0.101 0.000 0.929 113 N N -0.887 117.852 118.700 0.066 0.000 2.740 113 N HA -0.169 4.630 4.740 0.099 0.000 0.248 113 N C 0.702 176.229 175.510 0.030 0.000 1.062 113 N CA 0.730 53.796 53.050 0.027 0.000 0.704 113 N CB -2.177 36.293 38.487 -0.028 0.000 0.968 113 N HN 0.335 nan 8.380 nan 0.000 0.547 114 M N -0.698 118.934 119.600 0.053 0.000 2.394 114 M HA -0.071 4.469 4.480 0.099 0.000 0.264 114 M C 1.978 178.299 176.300 0.035 0.000 1.073 114 M CA 1.211 56.533 55.300 0.036 0.000 1.111 114 M CB 0.039 32.662 32.600 0.040 0.000 1.401 114 M HN 0.288 nan 8.290 nan 0.000 0.448 115 E N 0.367 120.600 120.200 0.055 0.000 2.042 115 E HA -0.132 4.278 4.350 0.099 0.000 0.189 115 E C 2.038 178.662 176.600 0.039 0.000 0.974 115 E CA 1.456 57.890 56.400 0.058 0.000 0.806 115 E CB 0.178 29.937 29.700 0.097 0.000 0.769 115 E HN 0.432 nan 8.360 nan 0.000 0.451 116 S N 0.009 115.725 115.700 0.026 0.000 2.414 116 S HA -0.056 4.473 4.470 0.099 0.000 0.227 116 S C 1.048 175.620 174.600 -0.047 0.000 1.022 116 S CA 0.691 58.870 58.200 -0.035 0.000 0.958 116 S CB -0.193 62.933 63.200 -0.122 0.000 0.797 116 S HN 0.374 nan 8.310 nan 0.000 0.493 117 R N 0.173 120.654 120.500 -0.031 0.000 4.000 117 R HA -0.159 4.241 4.340 0.099 0.000 0.362 117 R C 0.472 176.744 176.300 -0.047 0.000 1.183 117 R CA 0.501 56.582 56.100 -0.031 0.000 1.011 117 R CB -2.856 27.430 30.300 -0.023 0.000 1.501 117 R HN 0.636 nan 8.270 nan 0.000 0.553 118 A N 0.835 123.611 122.820 -0.073 0.000 2.296 118 A HA 0.471 4.850 4.320 0.099 0.000 0.264 118 A C 0.519 178.064 177.584 -0.065 0.000 1.097 118 A CA 0.168 52.155 52.037 -0.083 0.000 0.811 118 A CB 0.445 19.363 19.000 -0.135 0.000 1.072 118 A HN 0.147 nan 8.150 nan 0.000 0.495 119 T N 3.224 117.748 114.554 -0.049 0.000 2.744 119 T HA 0.528 4.937 4.350 0.099 0.000 0.291 119 T C -2.477 172.206 174.700 -0.028 0.000 0.957 119 T CA -0.809 61.270 62.100 -0.035 0.000 1.002 119 T CB 0.978 69.831 68.868 -0.024 0.000 0.919 119 T HN 0.554 nan 8.240 nan 0.000 0.468 120 P HA 0.377 nan 4.420 nan 0.000 0.274 120 P C -0.423 176.902 177.300 0.042 0.000 1.237 120 P CA -0.680 62.401 63.100 -0.032 0.000 0.793 120 P CB 1.121 32.754 31.700 -0.111 0.000 0.977 121 R N -0.084 120.526 120.500 0.183 0.000 2.832 121 R HA 0.826 5.225 4.340 0.099 0.000 0.271 121 R C 0.061 176.397 176.300 0.058 0.000 0.996 121 R CA -0.742 55.407 56.100 0.081 0.000 0.977 121 R CB 2.183 32.515 30.300 0.052 0.000 1.168 121 R HN 0.705 nan 8.270 nan 0.000 0.482 122 G N 0.361 109.135 108.800 -0.044 0.000 2.660 122 G HA2 0.331 4.351 3.960 0.099 0.000 0.290 122 G HA3 0.331 4.351 3.960 0.099 0.000 0.290 122 G C -2.458 172.287 174.900 -0.259 0.000 1.432 122 G CA -0.999 44.040 45.100 -0.103 0.000 0.807 122 G HN 0.285 nan 8.290 nan 0.000 0.485 123 P HA 0.027 nan 4.420 nan 0.000 0.218 123 P C 0.607 177.715 177.300 -0.320 0.000 1.149 123 P CA 0.898 63.460 63.100 -0.897 0.000 0.817 123 P CB 0.397 31.252 31.700 -1.408 0.000 0.785 124 S N -1.788 113.826 115.700 -0.143 0.000 2.651 124 S HA 0.300 4.830 4.470 0.099 0.000 0.279 124 S C -0.867 173.777 174.600 0.073 0.000 1.148 124 S CA -0.683 57.506 58.200 -0.018 0.000 0.837 124 S CB 1.863 65.063 63.200 -0.001 0.000 1.138 124 S HN -0.045 nan 8.310 nan 0.000 0.478 125 Q N 0.958 120.790 119.800 0.053 0.000 2.296 125 Q HA 0.467 4.866 4.340 0.099 0.000 0.262 125 Q C -1.559 174.525 176.000 0.140 0.000 0.981 125 Q CA -0.084 55.745 55.803 0.044 0.000 0.905 125 Q CB 0.254 29.013 28.738 0.035 0.000 1.186 125 Q HN 0.688 nan 8.270 nan 0.000 0.399 126 Y N 0.662 120.978 120.300 0.026 0.000 2.638 126 Y HA 0.772 5.381 4.550 0.099 0.000 0.335 126 Y C -1.780 174.042 175.900 -0.131 0.000 1.155 126 Y CA -1.356 56.728 58.100 -0.026 0.000 1.046 126 Y CB 0.712 39.124 38.460 -0.081 0.000 1.303 126 Y HN 0.541 nan 8.280 nan 0.000 0.460 127 A N 1.556 124.196 122.820 -0.300 0.000 2.292 127 A HA 0.579 4.958 4.320 0.099 0.000 0.319 127 A C -0.093 177.441 177.584 -0.084 0.000 1.206 127 A CA -0.447 51.147 52.037 -0.738 0.000 0.835 127 A CB 0.689 19.034 19.000 -1.092 0.000 1.164 127 A HN 0.927 nan 8.150 nan 0.000 0.505 128 S N 1.284 116.980 115.700 -0.006 0.000 2.546 128 S HA 0.018 4.548 4.470 0.099 0.000 0.290 128 S C 1.459 176.251 174.600 0.320 0.000 1.290 128 S CA 0.300 58.744 58.200 0.407 0.000 1.069 128 S CB 0.339 63.838 63.200 0.498 0.000 0.846 128 S HN 0.753 nan 8.310 nan 0.000 0.495 129 E N 5.065 125.505 120.200 0.400 0.000 2.333 129 E HA -0.189 4.220 4.350 0.099 0.000 0.198 129 E C 1.246 178.033 176.600 0.311 0.000 1.007 129 E CA 1.141 57.716 56.400 0.291 0.000 0.845 129 E CB -0.342 29.545 29.700 0.311 0.000 0.766 129 E HN 0.847 nan 8.360 nan 0.000 0.507 130 F N 1.226 121.284 119.950 0.179 0.000 2.453 130 F HA 0.191 4.777 4.527 0.099 0.000 0.284 130 F C 0.801 176.672 175.800 0.118 0.000 1.065 130 F CA -0.022 58.048 58.000 0.116 0.000 1.411 130 F CB 0.704 39.732 39.000 0.048 0.000 1.131 130 F HN -0.251 nan 8.300 nan 0.000 0.582 131 E N 1.656 121.915 120.200 0.098 0.000 2.167 131 E HA 0.112 4.522 4.350 0.099 0.000 0.247 131 E C 0.806 177.402 176.600 -0.008 0.000 0.961 131 E CA 0.229 56.601 56.400 -0.047 0.000 0.797 131 E CB 0.897 30.636 29.700 0.065 0.000 1.182 131 E HN 0.383 nan 8.360 nan 0.000 0.437 132 T N -0.972 113.556 114.554 -0.043 0.000 3.113 132 T HA 0.013 4.422 4.350 0.099 0.000 0.263 132 T C 1.407 176.052 174.700 -0.092 0.000 1.143 132 T CA 0.450 62.517 62.100 -0.054 0.000 1.090 132 T CB 0.032 68.883 68.868 -0.029 0.000 0.922 132 T HN 0.266 nan 8.240 nan 0.000 0.521 133 L N 0.772 121.963 121.223 -0.053 0.000 2.667 133 L HA 0.354 4.753 4.340 0.099 0.000 0.232 133 L C 0.997 177.892 176.870 0.042 0.000 1.138 133 L CA -0.311 54.539 54.840 0.016 0.000 0.921 133 L CB 0.428 42.503 42.059 0.027 0.000 1.180 133 L HN 0.184 nan 8.230 nan 0.000 0.487 134 S N -0.160 115.507 115.700 -0.055 0.000 2.422 134 S HA 0.458 4.987 4.470 0.099 0.000 0.298 134 S C -0.859 173.641 174.600 -0.166 0.000 1.118 134 S CA -0.266 57.920 58.200 -0.025 0.000 1.083 134 S CB 0.263 63.465 63.200 0.004 0.000 0.971 134 S HN 0.103 nan 8.310 nan 0.000 0.478 135 Y N 2.407 122.632 120.300 -0.124 0.000 2.509 135 Y HA 0.551 5.160 4.550 0.099 0.000 0.341 135 Y C 0.732 176.484 175.900 -0.245 0.000 1.038 135 Y CA -0.954 57.020 58.100 -0.210 0.000 1.089 135 Y CB 1.429 39.803 38.460 -0.142 0.000 1.241 135 Y HN 0.857 nan 8.280 nan 0.000 0.468 136 C N 0.653 119.832 119.300 -0.201 0.000 2.399 136 C HA 0.637 5.156 4.460 0.099 0.000 0.348 136 C C -0.344 174.592 174.990 -0.090 0.000 1.183 136 C CA -1.431 57.482 59.018 -0.175 0.000 2.023 136 C CB 1.115 28.686 27.740 -0.282 0.000 2.361 136 C HN 0.890 nan 8.230 nan 0.000 0.521 137 K N 1.340 121.705 120.400 -0.058 0.000 2.276 137 K HA 0.171 4.551 4.320 0.099 0.000 0.283 137 K C 0.166 176.740 176.600 -0.043 0.000 1.044 137 K CA 0.221 56.483 56.287 -0.041 0.000 0.944 137 K CB 0.592 33.075 32.500 -0.027 0.000 1.012 137 K HN 0.931 nan 8.250 nan 0.000 0.472 138 E N 4.348 124.527 120.200 -0.035 0.000 2.376 138 E HA -0.014 4.395 4.350 0.099 0.000 0.266 138 E C -0.499 176.081 176.600 -0.033 0.000 1.009 138 E CA -0.094 56.284 56.400 -0.036 0.000 0.902 138 E CB 0.591 30.278 29.700 -0.021 0.000 0.972 138 E HN 0.457 nan 8.360 nan 0.000 0.439 139 M N 4.251 123.828 119.600 -0.038 0.000 2.200 139 M HA 0.062 4.601 4.480 0.099 0.000 0.355 139 M C -0.028 176.261 176.300 -0.018 0.000 1.283 139 M CA -0.312 54.972 55.300 -0.026 0.000 1.124 139 M CB 0.528 33.121 32.600 -0.011 0.000 1.625 139 M HN 0.490 nan 8.290 nan 0.000 0.463 140 D N 2.329 122.714 120.400 -0.025 0.000 2.506 140 D HA 0.226 4.925 4.640 0.099 0.000 0.272 140 D C 0.735 177.013 176.300 -0.037 0.000 1.214 140 D CA -0.544 53.446 54.000 -0.016 0.000 1.067 140 D CB 0.534 41.329 40.800 -0.009 0.000 1.117 140 D HN 0.545 nan 8.370 nan 0.000 0.578 141 L N -0.457 120.755 121.223 -0.018 0.000 2.141 141 L HA -0.132 4.267 4.340 0.099 0.000 0.209 141 L C 2.399 179.239 176.870 -0.051 0.000 1.094 141 L CA 1.494 56.316 54.840 -0.030 0.000 0.763 141 L CB -0.636 41.445 42.059 0.037 0.000 0.908 141 L HN 0.526 nan 8.230 nan 0.000 0.437 142 S N -1.195 114.479 115.700 -0.042 0.000 2.406 142 S HA -0.157 4.373 4.470 0.099 0.000 0.228 142 S C 1.534 176.079 174.600 -0.090 0.000 1.020 142 S CA 0.876 59.041 58.200 -0.058 0.000 0.965 142 S CB -0.286 62.888 63.200 -0.044 0.000 0.798 142 S HN 0.356 nan 8.310 nan 0.000 0.488 143 D N 2.048 122.396 120.400 -0.086 0.000 2.104 143 D HA -0.057 4.642 4.640 0.099 0.000 0.194 143 D C 1.957 178.174 176.300 -0.138 0.000 0.994 143 D CA 1.375 55.309 54.000 -0.111 0.000 0.830 143 D CB -0.410 40.343 40.800 -0.078 0.000 0.959 143 D HN 0.452 nan 8.370 nan 0.000 0.452 144 I N 1.392 121.892 120.570 -0.115 0.000 2.163 144 I HA -0.297 3.932 4.170 0.099 0.000 0.243 144 I C 2.579 178.635 176.117 -0.100 0.000 1.085 144 I CA 1.200 62.448 61.300 -0.086 0.000 1.347 144 I CB -0.239 37.595 38.000 -0.276 0.000 1.044 144 I HN -0.069 nan 8.210 nan 0.000 0.408 145 A N 0.235 122.977 122.820 -0.129 0.000 1.908 145 A HA -0.297 4.082 4.320 0.099 0.000 0.218 145 A C 2.434 179.903 177.584 -0.191 0.000 1.181 145 A CA 2.436 54.393 52.037 -0.133 0.000 0.627 145 A CB -1.150 17.794 19.000 -0.093 0.000 0.818 145 A HN 0.498 nan 8.150 nan 0.000 0.445 146 Q N -0.931 118.715 119.800 -0.257 0.000 2.123 146 Q HA 0.079 4.478 4.340 0.099 0.000 0.199 146 Q C 2.217 177.716 176.000 -0.834 0.000 0.966 146 Q CA 1.596 57.136 55.803 -0.438 0.000 0.845 146 Q CB -1.231 27.279 28.738 -0.380 0.000 0.907 146 Q HN 0.523 nan 8.270 nan 0.000 0.439 147 V N 0.999 120.518 119.914 -0.660 0.000 2.358 147 V HA -0.332 3.848 4.120 0.099 0.000 0.246 147 V C 2.579 178.606 176.094 -0.111 0.000 1.047 147 V CA 2.007 63.957 62.300 -0.584 0.000 1.035 147 V CB -0.663 30.925 31.823 -0.391 0.000 0.658 147 V HN 0.696 nan 8.190 nan 0.000 0.452 148 Q N -0.454 119.303 119.800 -0.070 0.000 2.096 148 Q HA -0.325 4.074 4.340 0.099 0.000 0.204 148 Q C 2.375 178.393 176.000 0.031 0.000 0.982 148 Q CA 2.128 57.897 55.803 -0.057 0.000 0.850 148 Q CB -0.224 28.365 28.738 -0.248 0.000 0.901 148 Q HN 0.567 nan 8.270 nan 0.000 0.422 149 Q N 0.316 120.080 119.800 -0.060 0.000 2.124 149 Q HA -0.131 4.269 4.340 0.099 0.000 0.202 149 Q C 1.525 177.615 176.000 0.150 0.000 0.977 149 Q CA 1.587 57.393 55.803 0.005 0.000 0.850 149 Q CB -0.319 28.385 28.738 -0.055 0.000 0.901 149 Q HN 0.457 nan 8.270 nan 0.000 0.429 150 F N -1.324 118.644 119.950 0.030 0.000 2.120 150 F HA -0.305 4.282 4.527 0.099 0.000 0.300 150 F C 1.740 177.546 175.800 0.010 0.000 1.095 150 F CA 0.763 58.758 58.000 -0.008 0.000 1.249 150 F CB -0.321 38.636 39.000 -0.071 0.000 0.995 150 F HN 0.163 nan 8.300 nan 0.000 0.480 151 Y N -0.211 120.218 120.300 0.216 0.000 2.181 151 Y HA -0.223 4.386 4.550 0.099 0.000 0.288 151 Y C 2.401 178.364 175.900 0.104 0.000 1.146 151 Y CA 1.203 59.385 58.100 0.137 0.000 1.164 151 Y CB -0.893 37.609 38.460 0.070 0.000 0.982 151 Y HN -0.200 nan 8.280 nan 0.000 0.515 152 V N -0.061 119.995 119.914 0.236 0.000 2.358 152 V HA -0.262 3.918 4.120 0.099 0.000 0.246 152 V C 1.747 177.925 176.094 0.140 0.000 1.047 152 V CA 2.076 64.470 62.300 0.156 0.000 1.035 152 V CB -0.488 31.404 31.823 0.113 0.000 0.658 152 V HN 0.367 nan 8.190 nan 0.000 0.452 153 D N 0.387 120.877 120.400 0.148 0.000 2.117 153 D HA -0.088 4.611 4.640 0.099 0.000 0.198 153 D C 2.215 178.585 176.300 0.117 0.000 0.982 153 D CA 1.571 55.646 54.000 0.125 0.000 0.828 153 D CB -0.297 40.588 40.800 0.141 0.000 0.967 153 D HN 0.429 nan 8.370 nan 0.000 0.464 154 A N 1.065 123.962 122.820 0.127 0.000 1.898 154 A HA -0.023 4.356 4.320 0.099 0.000 0.216 154 A C 2.314 179.965 177.584 0.111 0.000 1.181 154 A CA 2.079 54.182 52.037 0.110 0.000 0.620 154 A CB -0.685 18.369 19.000 0.090 0.000 0.819 154 A HN 0.224 nan 8.150 nan 0.000 0.442 155 A N -0.108 122.790 122.820 0.131 0.000 1.902 155 A HA -0.187 4.192 4.320 0.099 0.000 0.217 155 A C 2.109 179.756 177.584 0.106 0.000 1.181 155 A CA 1.952 54.060 52.037 0.119 0.000 0.623 155 A CB -0.445 18.630 19.000 0.125 0.000 0.818 155 A HN 0.543 nan 8.150 nan 0.000 0.443 156 K N -0.686 119.773 120.400 0.097 0.000 2.057 156 K HA -0.102 4.277 4.320 0.099 0.000 0.207 156 K C 2.315 178.969 176.600 0.091 0.000 1.049 156 K CA 1.454 57.791 56.287 0.083 0.000 0.931 156 K CB -0.180 32.362 32.500 0.071 0.000 0.714 156 K HN 0.382 nan 8.250 nan 0.000 0.440 157 R N 0.232 120.791 120.500 0.097 0.000 2.096 157 R HA -0.059 4.340 4.340 0.099 0.000 0.235 157 R C 2.412 178.800 176.300 0.146 0.000 1.127 157 R CA 1.367 57.529 56.100 0.104 0.000 0.968 157 R CB -0.189 30.170 30.300 0.099 0.000 0.861 157 R HN 0.088 nan 8.270 nan 0.000 0.440 158 S N 0.516 116.315 115.700 0.164 0.000 2.368 158 S HA -0.165 4.364 4.470 0.099 0.000 0.225 158 S C 1.843 176.637 174.600 0.323 0.000 1.030 158 S CA 1.198 59.562 58.200 0.274 0.000 0.999 158 S CB -0.183 63.092 63.200 0.125 0.000 0.844 158 S HN 0.350 nan 8.310 nan 0.000 0.459 159 R N 1.175 121.790 120.500 0.192 0.000 2.092 159 R HA -0.115 4.285 4.340 0.099 0.000 0.231 159 R C 1.313 177.679 176.300 0.110 0.000 1.119 159 R CA 1.647 57.836 56.100 0.148 0.000 0.970 159 R CB -0.301 30.056 30.300 0.097 0.000 0.864 159 R HN 0.230 nan 8.270 nan 0.000 0.440 160 D N 0.570 121.027 120.400 0.096 0.000 2.149 160 D HA -0.147 4.553 4.640 0.099 0.000 0.198 160 D C 1.444 177.768 176.300 0.040 0.000 0.990 160 D CA 1.551 55.587 54.000 0.060 0.000 0.839 160 D CB -0.150 40.683 40.800 0.055 0.000 0.948 160 D HN 0.411 nan 8.370 nan 0.000 0.460 161 A N -0.409 122.453 122.820 0.070 0.000 2.235 161 A HA 0.367 4.747 4.320 0.099 0.000 0.208 161 A C 1.752 179.211 177.584 -0.209 0.000 1.172 161 A CA 1.143 53.166 52.037 -0.023 0.000 0.786 161 A CB -0.268 18.799 19.000 0.112 0.000 0.804 161 A HN 0.270 nan 8.150 nan 0.000 0.479 162 G N -1.978 106.769 108.800 -0.088 0.000 2.141 162 G HA2 -0.241 3.778 3.960 0.099 0.000 0.242 162 G HA3 -0.241 3.778 3.960 0.099 0.000 0.242 162 G C -0.039 174.790 174.900 -0.118 0.000 0.982 162 G CA -0.005 45.044 45.100 -0.083 0.000 0.662 162 G HN 0.301 nan 8.290 nan 0.000 0.527 163 F N 1.247 121.238 119.950 0.068 0.000 2.518 163 F HA 0.321 4.908 4.527 0.099 0.000 0.359 163 F C 1.532 177.399 175.800 0.112 0.000 1.118 163 F CA 0.256 58.304 58.000 0.080 0.000 1.287 163 F CB 0.637 39.672 39.000 0.059 0.000 1.132 163 F HN 0.022 nan 8.300 nan 0.000 0.587 164 D N 2.055 122.653 120.400 0.330 0.000 2.327 164 D HA 0.140 4.839 4.640 0.099 0.000 0.205 164 D C 0.347 176.753 176.300 0.175 0.000 0.989 164 D CA 1.101 55.230 54.000 0.214 0.000 0.873 164 D CB 0.724 41.642 40.800 0.197 0.000 0.955 164 D HN 0.248 nan 8.370 nan 0.000 0.515 165 I N 1.188 121.884 120.570 0.209 0.000 2.533 165 I HA 0.203 4.433 4.170 0.099 0.000 0.290 165 I C -0.980 175.208 176.117 0.117 0.000 1.056 165 I CA -0.748 60.630 61.300 0.129 0.000 1.057 165 I CB 3.084 41.178 38.000 0.155 0.000 1.240 165 I HN -0.393 nan 8.210 nan 0.000 0.423 166 V N 6.346 126.291 119.914 0.052 0.000 2.487 166 V HA 0.397 4.576 4.120 0.099 0.000 0.298 166 V C -0.937 175.195 176.094 0.064 0.000 1.028 166 V CA -0.705 61.638 62.300 0.071 0.000 0.860 166 V CB 1.656 33.524 31.823 0.075 0.000 0.991 166 V HN 0.432 nan 8.190 nan 0.000 0.427 167 Y N 2.601 122.938 120.300 0.062 0.000 2.334 167 Y HA 0.521 5.130 4.550 0.099 0.000 0.328 167 Y C 0.341 176.347 175.900 0.177 0.000 1.130 167 Y CA -0.594 57.577 58.100 0.118 0.000 1.163 167 Y CB 1.909 40.444 38.460 0.125 0.000 1.207 167 Y HN 0.377 nan 8.280 nan 0.000 0.471 168 V N 4.577 124.705 119.914 0.356 0.000 2.406 168 V HA 0.041 4.221 4.120 0.099 0.000 0.272 168 V C -0.673 175.693 176.094 0.454 0.000 1.043 168 V CA -0.744 61.759 62.300 0.339 0.000 0.915 168 V CB 0.322 32.250 31.823 0.175 0.000 0.988 168 V HN 0.682 nan 8.190 nan 0.000 0.466 169 Y N 3.873 124.338 120.300 0.275 0.000 2.454 169 Y HA 0.578 5.187 4.550 0.099 0.000 0.345 169 Y C 0.888 176.851 175.900 0.105 0.000 0.970 169 Y CA -0.681 57.580 58.100 0.268 0.000 1.204 169 Y CB 1.002 39.648 38.460 0.310 0.000 1.122 169 Y HN 0.690 nan 8.280 nan 0.000 0.514 170 G N 4.641 113.482 108.800 0.068 0.000 4.637 170 G HA2 0.531 4.551 3.960 0.099 0.000 0.294 170 G HA3 0.531 4.551 3.960 0.099 0.000 0.294 170 G C -0.459 174.510 174.900 0.115 0.000 1.215 170 G CA 0.049 44.934 45.100 -0.359 0.000 0.943 170 G HN 0.771 nan 8.290 nan 0.000 0.572 171 A N -0.541 122.325 122.820 0.076 0.000 2.312 171 A HA 0.716 5.095 4.320 0.099 0.000 0.310 171 A C 0.577 177.985 177.584 -0.293 0.000 1.139 171 A CA -0.671 51.346 52.037 -0.033 0.000 0.886 171 A CB 0.296 19.299 19.000 0.004 0.000 1.350 171 A HN 0.743 nan 8.150 nan 0.000 0.479 172 H N -0.326 118.624 119.070 -0.199 0.000 2.690 172 H HA -0.149 4.466 4.556 0.099 0.000 0.309 172 H C 0.672 175.566 175.328 -0.723 0.000 1.138 172 H CA 0.738 56.495 56.048 -0.484 0.000 1.142 172 H CB -2.054 27.344 29.762 -0.607 0.000 1.410 172 H HN 0.879 nan 8.280 nan 0.000 0.409 173 S N -2.663 112.849 115.700 -0.314 0.000 3.581 173 S HA -0.262 4.268 4.470 0.099 0.000 0.354 173 S C 0.329 174.812 174.600 -0.196 0.000 1.059 173 S CA 1.065 59.159 58.200 -0.177 0.000 1.060 173 S CB -1.107 62.092 63.200 -0.000 0.000 0.908 173 S HN 0.531 nan 8.310 nan 0.000 0.475 174 Y N -0.343 119.908 120.300 -0.082 0.000 2.356 174 Y HA 0.471 5.081 4.550 0.099 0.000 0.341 174 Y C 1.547 177.371 175.900 -0.126 0.000 1.343 174 Y CA -0.862 57.213 58.100 -0.041 0.000 1.570 174 Y CB -0.270 38.176 38.460 -0.024 0.000 1.558 174 Y HN 0.122 nan 8.280 nan 0.000 0.557 175 L N 1.838 123.154 121.223 0.155 0.000 2.013 175 L HA -0.121 4.279 4.340 0.099 0.000 0.212 175 L C -1.071 175.793 176.870 -0.011 0.000 1.073 175 L CA 2.172 57.046 54.840 0.056 0.000 0.753 175 L CB -1.595 40.549 42.059 0.141 0.000 0.890 175 L HN 0.465 nan 8.230 nan 0.000 0.432 176 P HA -0.192 nan 4.420 nan 0.000 0.216 176 P C 1.981 179.211 177.300 -0.116 0.000 1.150 176 P CA 1.151 64.113 63.100 -0.231 0.000 0.837 176 P CB -0.159 30.879 31.700 -1.104 0.000 0.786 177 L N -0.050 121.051 121.223 -0.205 0.000 2.109 177 L HA -0.146 4.253 4.340 0.099 0.000 0.207 177 L C 1.992 178.897 176.870 0.057 0.000 1.086 177 L CA 1.987 56.851 54.840 0.041 0.000 0.760 177 L CB -1.364 40.716 42.059 0.035 0.000 0.910 177 L HN 0.056 nan 8.230 nan 0.000 0.437 178 Q N -1.063 118.664 119.800 -0.121 0.000 2.112 178 Q HA -0.259 4.141 4.340 0.099 0.000 0.206 178 Q C 2.090 178.028 176.000 -0.104 0.000 0.987 178 Q CA 2.016 57.649 55.803 -0.284 0.000 0.858 178 Q CB -0.247 28.160 28.738 -0.552 0.000 0.905 178 Q HN 0.404 nan 8.270 nan 0.000 0.420 179 F N -0.106 119.802 119.950 -0.069 0.000 2.259 179 F HA -0.130 4.457 4.527 0.099 0.000 0.298 179 F C 1.944 177.813 175.800 0.115 0.000 1.088 179 F CA 0.512 58.522 58.000 0.015 0.000 1.358 179 F CB 0.020 39.037 39.000 0.028 0.000 1.040 179 F HN 0.083 nan 8.300 nan 0.000 0.505 180 L N -0.186 121.221 121.223 0.307 0.000 2.291 180 L HA -0.036 4.364 4.340 0.099 0.000 0.214 180 L C 0.541 177.530 176.870 0.200 0.000 1.120 180 L CA 1.152 56.133 54.840 0.235 0.000 0.799 180 L CB -0.573 41.594 42.059 0.180 0.000 0.925 180 L HN -0.050 nan 8.230 nan 0.000 0.446 181 N N -0.553 118.271 118.700 0.207 0.000 2.446 181 N HA 0.250 5.050 4.740 0.099 0.000 0.265 181 N C -2.098 173.513 175.510 0.169 0.000 0.975 181 N CA -2.459 50.717 53.050 0.210 0.000 0.928 181 N CB 1.640 40.305 38.487 0.296 0.000 1.160 181 N HN -0.141 nan 8.380 nan 0.000 0.495 182 P HA -0.130 nan 4.420 nan 0.000 0.223 182 P C 1.069 178.388 177.300 0.032 0.000 1.144 182 P CA 0.900 64.042 63.100 0.071 0.000 0.783 182 P CB -0.057 31.686 31.700 0.072 0.000 0.771 183 Y N -0.787 119.418 120.300 -0.159 0.000 2.256 183 Y HA -0.267 4.342 4.550 0.099 0.000 0.288 183 Y C 1.628 177.211 175.900 -0.529 0.000 1.155 183 Y CA 1.640 59.524 58.100 -0.360 0.000 1.203 183 Y CB -0.297 37.835 38.460 -0.547 0.000 0.980 183 Y HN -0.091 nan 8.280 nan 0.000 0.530 184 Y N -1.478 118.682 120.300 -0.233 0.000 2.464 184 Y HA 0.106 4.715 4.550 0.099 0.000 0.288 184 Y C 0.754 176.474 175.900 -0.301 0.000 1.133 184 Y CA 0.152 57.972 58.100 -0.466 0.000 1.223 184 Y CB -0.241 37.911 38.460 -0.512 0.000 1.187 184 Y HN -0.101 nan 8.280 nan 0.000 0.539 185 N N 1.682 120.360 118.700 -0.037 0.000 2.437 185 N HA 0.052 4.851 4.740 0.099 0.000 0.243 185 N C -0.357 175.135 175.510 -0.030 0.000 1.041 185 N CA 0.096 53.102 53.050 -0.072 0.000 0.940 185 N CB 0.485 38.955 38.487 -0.028 0.000 1.133 185 N HN 0.076 nan 8.380 nan 0.000 0.506 186 K N 2.999 123.379 120.400 -0.033 0.000 2.514 186 K HA 0.207 4.586 4.320 0.099 0.000 0.207 186 K C 0.180 176.790 176.600 0.016 0.000 1.035 186 K CA -0.245 56.039 56.287 -0.005 0.000 1.113 186 K CB 0.672 33.166 32.500 -0.011 0.000 0.846 186 K HN 0.435 nan 8.250 nan 0.000 0.491 187 R N 0.846 121.363 120.500 0.028 0.000 2.679 187 R HA 0.111 4.510 4.340 0.099 0.000 0.269 187 R C 0.959 177.305 176.300 0.076 0.000 1.076 187 R CA 0.428 56.564 56.100 0.060 0.000 1.160 187 R CB 0.260 30.625 30.300 0.108 0.000 1.054 187 R HN 0.081 nan 8.270 nan 0.000 0.507 188 T N -3.404 111.196 114.554 0.077 0.000 3.231 188 T HA 0.058 4.468 4.350 0.099 0.000 0.292 188 T C -0.035 174.713 174.700 0.080 0.000 1.001 188 T CA -0.636 61.505 62.100 0.069 0.000 0.920 188 T CB -0.207 68.691 68.868 0.050 0.000 1.140 188 T HN 0.639 nan 8.240 nan 0.000 0.525 189 D N 1.827 122.295 120.400 0.112 0.000 2.530 189 D HA 0.181 4.880 4.640 0.099 0.000 0.282 189 D C 1.252 177.629 176.300 0.129 0.000 1.204 189 D CA -0.830 53.245 54.000 0.125 0.000 1.093 189 D CB 0.696 41.592 40.800 0.160 0.000 1.154 189 D HN 0.275 nan 8.370 nan 0.000 0.593 190 K N -1.454 119.015 120.400 0.115 0.000 2.555 190 K HA -0.048 4.332 4.320 0.099 0.000 0.193 190 K C 0.586 177.143 176.600 -0.072 0.000 1.032 190 K CA 0.825 57.113 56.287 0.001 0.000 1.004 190 K CB -0.489 31.964 32.500 -0.078 0.000 0.804 190 K HN 0.327 nan 8.250 nan 0.000 0.496 191 Y N 0.718 121.102 120.300 0.141 0.000 2.507 191 Y HA 0.333 4.942 4.550 0.099 0.000 0.254 191 Y C 0.871 176.917 175.900 0.243 0.000 1.171 191 Y CA -0.469 57.766 58.100 0.224 0.000 1.238 191 Y CB 1.330 39.992 38.460 0.337 0.000 1.148 191 Y HN 0.222 nan 8.280 nan 0.000 0.525 192 G N -1.834 107.119 108.800 0.254 0.000 2.694 192 G HA2 0.519 4.538 3.960 0.099 0.000 0.290 192 G HA3 0.519 4.538 3.960 0.099 0.000 0.290 192 G C 0.212 175.184 174.900 0.120 0.000 1.386 192 G CA -0.188 45.022 45.100 0.184 0.000 0.872 192 G HN 0.311 nan 8.290 nan 0.000 0.475 193 G N 0.041 108.901 108.800 0.101 0.000 3.675 193 G HA2 -0.031 3.988 3.960 0.099 0.000 0.275 193 G HA3 -0.031 3.988 3.960 0.099 0.000 0.275 193 G C 1.117 176.063 174.900 0.077 0.000 1.648 193 G CA 0.846 45.992 45.100 0.077 0.000 1.093 193 G HN 2.319 nan 8.290 nan 0.000 0.617 194 S N 1.269 117.010 115.700 0.068 0.000 2.589 194 S HA 0.478 5.008 4.470 0.099 0.000 0.265 194 S C 1.534 176.185 174.600 0.084 0.000 1.342 194 S CA 0.501 58.739 58.200 0.065 0.000 1.005 194 S CB 1.566 64.794 63.200 0.048 0.000 0.909 194 S HN 1.747 nan 8.310 nan 0.000 0.555 195 L N 1.824 123.098 121.223 0.085 0.000 2.012 195 L HA -0.010 4.390 4.340 0.099 0.000 0.210 195 L C 2.968 179.905 176.870 0.112 0.000 1.073 195 L CA 2.827 57.732 54.840 0.109 0.000 0.748 195 L CB -1.825 40.298 42.059 0.106 0.000 0.891 195 L HN 1.024 nan 8.230 nan 0.000 0.431 196 E N -0.412 119.833 120.200 0.074 0.000 2.097 196 E HA -0.300 4.109 4.350 0.099 0.000 0.196 196 E C 1.954 178.583 176.600 0.049 0.000 1.000 196 E CA 1.819 58.251 56.400 0.052 0.000 0.804 196 E CB -1.164 28.546 29.700 0.017 0.000 0.740 196 E HN 0.708 nan 8.360 nan 0.000 0.454 197 N N -0.305 118.425 118.700 0.050 0.000 2.135 197 N HA -0.036 4.763 4.740 0.099 0.000 0.186 197 N C 1.974 177.565 175.510 0.134 0.000 1.027 197 N CA 1.224 54.296 53.050 0.037 0.000 0.849 197 N CB -0.251 38.267 38.487 0.051 0.000 1.002 197 N HN 0.450 nan 8.380 nan 0.000 0.425 198 R N 0.492 121.101 120.500 0.182 0.000 2.105 198 R HA 0.024 4.423 4.340 0.099 0.000 0.239 198 R C 1.864 178.343 176.300 0.299 0.000 1.135 198 R CA 1.310 57.566 56.100 0.260 0.000 0.967 198 R CB -0.279 30.143 30.300 0.204 0.000 0.861 198 R HN 0.177 nan 8.270 nan 0.000 0.442 199 A N 0.855 123.823 122.820 0.248 0.000 2.119 199 A HA -0.091 4.288 4.320 0.099 0.000 0.217 199 A C 2.017 179.782 177.584 0.303 0.000 1.153 199 A CA 0.568 52.794 52.037 0.314 0.000 0.692 199 A CB -0.366 18.867 19.000 0.388 0.000 0.799 199 A HN 0.208 nan 8.150 nan 0.000 0.458 200 R N -1.287 119.327 120.500 0.191 0.000 2.091 200 R HA -0.193 4.206 4.340 0.099 0.000 0.238 200 R C 1.842 178.233 176.300 0.152 0.000 1.136 200 R CA 1.981 58.116 56.100 0.060 0.000 0.959 200 R CB -0.438 29.717 30.300 -0.241 0.000 0.856 200 R HN 0.513 nan 8.270 nan 0.000 0.437 201 F N -0.011 120.013 119.950 0.124 0.000 2.102 201 F HA -0.252 4.335 4.527 0.099 0.000 0.298 201 F C 2.084 177.886 175.800 0.004 0.000 1.105 201 F CA 1.643 59.585 58.000 -0.097 0.000 1.239 201 F CB -0.390 38.109 39.000 -0.835 0.000 0.991 201 F HN 0.152 nan 8.300 nan 0.000 0.474 202 W N 0.515 121.858 121.300 0.072 0.000 2.381 202 W HA -0.148 4.571 4.660 0.099 0.000 0.301 202 W C 1.955 178.460 176.519 -0.023 0.000 1.205 202 W CA 0.973 58.339 57.345 0.035 0.000 1.285 202 W CB -0.887 28.657 29.460 0.140 0.000 1.133 202 W HN 0.008 nan 8.180 nan 0.000 0.521 203 L N 0.980 122.369 121.223 0.276 0.000 2.042 203 L HA -0.197 4.202 4.340 0.099 0.000 0.210 203 L C 2.320 179.176 176.870 -0.024 0.000 1.076 203 L CA 2.006 56.890 54.840 0.073 0.000 0.749 203 L CB -1.576 40.501 42.059 0.031 0.000 0.893 203 L HN 0.062 nan 8.230 nan 0.000 0.432 204 E N -1.593 118.556 120.200 -0.084 0.000 2.150 204 E HA -0.147 4.263 4.350 0.099 0.000 0.193 204 E C 1.972 178.440 176.600 -0.220 0.000 0.985 204 E CA 1.424 57.732 56.400 -0.153 0.000 0.814 204 E CB -0.086 29.511 29.700 -0.172 0.000 0.752 204 E HN 0.454 nan 8.360 nan 0.000 0.466 205 T N 1.536 115.891 114.554 -0.331 0.000 2.737 205 T HA -0.096 4.313 4.350 0.099 0.000 0.265 205 T C 1.959 176.559 174.700 -0.167 0.000 1.038 205 T CA 0.714 62.588 62.100 -0.378 0.000 1.144 205 T CB -0.174 68.300 68.868 -0.657 0.000 0.866 205 T HN 0.067 nan 8.240 nan 0.000 0.434 206 L N 0.706 121.902 121.223 -0.045 0.000 2.012 206 L HA -0.145 4.254 4.340 0.099 0.000 0.210 206 L C 2.805 179.658 176.870 -0.027 0.000 1.073 206 L CA 1.580 56.420 54.840 0.000 0.000 0.748 206 L CB -0.464 41.611 42.059 0.027 0.000 0.891 206 L HN 0.337 nan 8.230 nan 0.000 0.431 207 E N 0.263 120.436 120.200 -0.044 0.000 2.077 207 E HA -0.254 4.155 4.350 0.099 0.000 0.193 207 E C 2.169 178.767 176.600 -0.004 0.000 0.989 207 E CA 1.350 57.730 56.400 -0.035 0.000 0.800 207 E CB 0.144 29.808 29.700 -0.061 0.000 0.746 207 E HN 0.390 nan 8.360 nan 0.000 0.452 208 K N -0.224 120.159 120.400 -0.029 0.000 2.103 208 K HA -0.078 4.302 4.320 0.099 0.000 0.204 208 K C 2.114 178.755 176.600 0.069 0.000 1.052 208 K CA 1.060 57.354 56.287 0.012 0.000 0.945 208 K CB 0.121 32.597 32.500 -0.040 0.000 0.722 208 K HN 0.026 nan 8.250 nan 0.000 0.443 209 V N 1.794 121.731 119.914 0.037 0.000 2.307 209 V HA -0.236 3.944 4.120 0.099 0.000 0.245 209 V C 2.320 178.447 176.094 0.053 0.000 1.045 209 V CA 1.617 63.953 62.300 0.061 0.000 1.024 209 V CB -0.340 31.519 31.823 0.061 0.000 0.651 209 V HN 0.302 nan 8.190 nan 0.000 0.449 210 K N -0.564 119.858 120.400 0.038 0.000 2.063 210 K HA -0.268 4.111 4.320 0.099 0.000 0.208 210 K C 2.326 178.955 176.600 0.050 0.000 1.048 210 K CA 1.787 58.089 56.287 0.026 0.000 0.928 210 K CB -0.355 32.149 32.500 0.007 0.000 0.713 210 K HN 0.649 nan 8.250 nan 0.000 0.442 211 H N -0.221 118.841 119.070 -0.013 0.000 2.387 211 H HA -0.073 4.542 4.556 0.099 0.000 0.299 211 H C 1.660 176.990 175.328 0.003 0.000 1.090 211 H CA 1.522 57.565 56.048 -0.010 0.000 1.332 211 H CB 0.162 29.915 29.762 -0.015 0.000 1.386 211 H HN 0.342 nan 8.280 nan 0.000 0.516 212 A N 0.603 123.409 122.820 -0.023 0.000 1.898 212 A HA -0.065 4.314 4.320 0.099 0.000 0.216 212 A C 2.329 179.876 177.584 -0.061 0.000 1.181 212 A CA 2.354 54.357 52.037 -0.057 0.000 0.620 212 A CB -0.423 18.604 19.000 0.046 0.000 0.819 212 A HN 0.443 nan 8.150 nan 0.000 0.442 213 V N -4.813 115.089 119.914 -0.020 0.000 3.392 213 V HA 0.412 4.591 4.120 0.099 0.000 0.285 213 V C 1.720 177.813 176.094 -0.002 0.000 1.582 213 V CA 0.772 63.072 62.300 -0.001 0.000 1.034 213 V CB -0.384 31.462 31.823 0.039 0.000 0.846 213 V HN 0.357 nan 8.190 nan 0.000 0.431 214 G N 1.860 110.653 108.800 -0.011 0.000 2.509 214 G HA2 -0.165 3.854 3.960 0.099 0.000 0.218 214 G HA3 -0.165 3.854 3.960 0.099 0.000 0.218 214 G C 1.535 176.427 174.900 -0.013 0.000 1.124 214 G CA 1.439 46.533 45.100 -0.009 0.000 0.776 214 G HN 0.870 nan 8.290 nan 0.000 0.547 215 S N -0.283 115.403 115.700 -0.022 0.000 2.527 215 S HA 0.030 4.559 4.470 0.099 0.000 0.222 215 S C 1.422 176.017 174.600 -0.008 0.000 0.985 215 S CA 0.984 59.174 58.200 -0.017 0.000 0.921 215 S CB 0.153 63.338 63.200 -0.025 0.000 0.772 215 S HN 0.271 nan 8.310 nan 0.000 0.529 216 D N 0.325 120.724 120.400 -0.001 0.000 2.379 216 D HA 0.242 4.941 4.640 0.099 0.000 0.218 216 D C 0.081 176.397 176.300 0.027 0.000 1.006 216 D CA 0.340 54.346 54.000 0.011 0.000 0.893 216 D CB 0.416 41.225 40.800 0.015 0.000 1.019 216 D HN 0.363 nan 8.370 nan 0.000 0.503 217 C N 1.328 120.647 119.300 0.032 0.000 2.507 217 C HA 0.775 5.294 4.460 0.099 0.000 0.319 217 C C 0.478 175.484 174.990 0.026 0.000 1.208 217 C CA -1.321 57.727 59.018 0.050 0.000 1.619 217 C CB 1.290 29.075 27.740 0.074 0.000 2.230 217 C HN 0.266 nan 8.230 nan 0.000 0.492 218 A N 3.043 125.879 122.820 0.026 0.000 2.462 218 A HA 0.552 4.931 4.320 0.099 0.000 0.243 218 A C -0.225 177.332 177.584 -0.044 0.000 1.076 218 A CA 0.111 52.141 52.037 -0.011 0.000 0.773 218 A CB 0.011 19.009 19.000 -0.004 0.000 1.010 218 A HN 0.715 nan 8.150 nan 0.000 0.493 219 I N 2.181 122.701 120.570 -0.082 0.000 2.306 219 I HA 0.431 4.660 4.170 0.099 0.000 0.288 219 I C 0.728 176.718 176.117 -0.212 0.000 1.036 219 I CA -0.166 61.070 61.300 -0.107 0.000 1.221 219 I CB 0.141 38.093 38.000 -0.081 0.000 1.385 219 I HN 0.687 nan 8.210 nan 0.000 0.472 220 A N 4.819 127.446 122.820 -0.320 0.000 2.281 220 A HA 0.850 5.230 4.320 0.099 0.000 0.329 220 A C 0.011 177.406 177.584 -0.316 0.000 1.122 220 A CA -0.443 51.279 52.037 -0.524 0.000 0.850 220 A CB 1.489 19.817 19.000 -1.120 0.000 1.207 220 A HN 0.594 nan 8.150 nan 0.000 0.495 221 T N -0.340 114.111 114.554 -0.172 0.000 2.916 221 T HA 0.575 4.984 4.350 0.099 0.000 0.305 221 T C -0.894 174.148 174.700 0.571 0.000 1.119 221 T CA -0.552 61.710 62.100 0.270 0.000 1.008 221 T CB 1.017 70.020 68.868 0.224 0.000 1.129 221 T HN 0.764 nan 8.240 nan 0.000 0.480 222 R N 2.846 123.834 120.500 0.814 0.000 2.445 222 R HA 0.714 5.114 4.340 0.099 0.000 0.308 222 R C -1.821 175.005 176.300 0.877 0.000 0.961 222 R CA -0.643 55.912 56.100 0.759 0.000 0.862 222 R CB 0.853 31.512 30.300 0.598 0.000 1.144 222 R HN 0.464 nan 8.270 nan 0.000 0.447 223 F N 2.878 123.183 119.950 0.592 0.000 2.585 223 F HA 0.453 5.039 4.527 0.099 0.000 0.319 223 F C -0.411 175.573 175.800 0.307 0.000 1.165 223 F CA -1.532 56.834 58.000 0.609 0.000 0.949 223 F CB 1.969 41.383 39.000 0.690 0.000 1.218 223 F HN 0.624 nan 8.300 nan 0.000 0.453 224 G N 4.713 113.611 108.800 0.163 0.000 2.605 224 G HA2 0.271 4.290 3.960 0.099 0.000 0.301 224 G HA3 0.271 4.290 3.960 0.099 0.000 0.301 224 G C 0.691 175.147 174.900 -0.741 0.000 0.881 224 G CA 0.042 45.003 45.100 -0.230 0.000 1.553 224 G HN 0.738 nan 8.290 nan 0.000 0.483 225 V N 1.813 121.153 119.914 -0.956 0.000 3.078 225 V HA 0.026 4.205 4.120 0.099 0.000 0.265 225 V C 0.444 176.270 176.094 -0.448 0.000 1.122 225 V CA 1.599 63.227 62.300 -1.120 0.000 1.141 225 V CB -0.091 31.372 31.823 -0.600 0.000 0.735 225 V HN 0.623 nan 8.190 nan 0.000 0.498 226 D N -2.177 118.036 120.400 -0.311 0.000 2.977 226 D HA 0.196 4.895 4.640 0.099 0.000 0.220 226 D C 0.493 176.664 176.300 -0.216 0.000 1.267 226 D CA -0.054 53.849 54.000 -0.161 0.000 0.884 226 D CB 2.270 43.053 40.800 -0.028 0.000 1.667 226 D HN 0.043 nan 8.370 nan 0.000 0.536 227 T N 0.731 115.207 114.554 -0.129 0.000 3.113 227 T HA 0.022 4.432 4.350 0.099 0.000 0.256 227 T C 1.321 175.953 174.700 -0.113 0.000 1.131 227 T CA 0.726 62.746 62.100 -0.133 0.000 1.074 227 T CB -0.306 68.484 68.868 -0.130 0.000 0.944 227 T HN 0.889 nan 8.240 nan 0.000 0.516 228 V N -1.438 118.401 119.914 -0.126 0.000 5.325 228 V HA -0.285 3.895 4.120 0.099 0.000 0.291 228 V C 0.271 176.380 176.094 0.025 0.000 0.541 228 V CA 1.307 63.538 62.300 -0.116 0.000 0.687 228 V CB -2.952 28.655 31.823 -0.360 0.000 0.491 228 V HN 0.607 nan 8.190 nan 0.000 1.145 229 Y N 0.789 121.027 120.300 -0.103 0.000 2.471 229 Y HA 0.567 5.176 4.550 0.099 0.000 0.249 229 Y C 1.549 177.411 175.900 -0.063 0.000 1.116 229 Y CA 0.891 58.926 58.100 -0.108 0.000 1.240 229 Y CB 1.294 39.645 38.460 -0.183 0.000 1.251 229 Y HN 1.653 nan 8.280 nan 0.000 0.527 230 G N 1.058 109.907 108.800 0.082 0.000 2.698 230 G HA2 -0.211 3.808 3.960 0.099 0.000 0.225 230 G HA3 -0.211 3.808 3.960 0.099 0.000 0.225 230 G C -2.710 172.242 174.900 0.087 0.000 1.345 230 G CA -0.863 44.269 45.100 0.053 0.000 0.871 230 G HN 0.039 nan 8.290 nan 0.000 0.540 231 P HA 0.388 nan 4.420 nan 0.000 0.268 231 P C 1.128 178.484 177.300 0.093 0.000 1.208 231 P CA 2.075 65.216 63.100 0.069 0.000 0.777 231 P CB 0.660 32.389 31.700 0.050 0.000 0.875 232 G N 0.077 108.927 108.800 0.084 0.000 2.232 232 G HA2 -0.193 3.827 3.960 0.099 0.000 0.226 232 G HA3 -0.193 3.827 3.960 0.099 0.000 0.226 232 G C 0.297 175.230 174.900 0.056 0.000 0.996 232 G CA -0.092 45.064 45.100 0.092 0.000 0.626 232 G HN 0.570 nan 8.290 nan 0.000 0.509 233 Q N -0.828 118.989 119.800 0.028 0.000 3.274 233 Q HA 0.647 5.047 4.340 0.099 0.000 0.240 233 Q C -0.143 175.872 176.000 0.026 0.000 1.075 233 Q CA -1.001 54.770 55.803 -0.054 0.000 0.702 233 Q CB 0.789 29.356 28.738 -0.284 0.000 3.188 233 Q HN 0.197 nan 8.270 nan 0.000 0.369 234 I N 1.765 122.347 120.570 0.021 0.000 2.396 234 I HA 0.236 4.466 4.170 0.099 0.000 0.292 234 I C -0.249 175.897 176.117 0.048 0.000 0.999 234 I CA 0.255 61.593 61.300 0.063 0.000 1.310 234 I CB 0.857 38.908 38.000 0.085 0.000 1.404 234 I HN 0.517 nan 8.210 nan 0.000 0.496 235 E N 3.671 123.915 120.200 0.073 0.000 2.187 235 E HA 0.480 4.889 4.350 0.099 0.000 0.268 235 E C 0.440 177.088 176.600 0.081 0.000 0.896 235 E CA -0.593 55.858 56.400 0.084 0.000 0.766 235 E CB 2.209 31.958 29.700 0.082 0.000 1.142 235 E HN 0.679 nan 8.360 nan 0.000 0.408 236 A N 3.400 126.276 122.820 0.094 0.000 1.883 236 A HA -0.230 4.149 4.320 0.099 0.000 0.217 236 A C 1.505 179.116 177.584 0.045 0.000 1.186 236 A CA 1.554 53.631 52.037 0.066 0.000 0.624 236 A CB -0.241 18.831 19.000 0.120 0.000 0.822 236 A HN 0.682 nan 8.150 nan 0.000 0.444 237 E N -0.786 119.436 120.200 0.036 0.000 2.489 237 E HA 0.127 4.536 4.350 0.099 0.000 0.193 237 E C 1.086 177.706 176.600 0.033 0.000 1.057 237 E CA 0.178 56.588 56.400 0.017 0.000 0.866 237 E CB 0.195 29.890 29.700 -0.009 0.000 0.916 237 E HN 0.489 nan 8.360 nan 0.000 0.500 238 V N 0.819 120.766 119.914 0.055 0.000 3.064 238 V HA -0.076 4.104 4.120 0.099 0.000 0.215 238 V C 1.390 177.536 176.094 0.087 0.000 1.167 238 V CA 0.744 63.082 62.300 0.063 0.000 1.286 238 V CB -0.139 31.722 31.823 0.063 0.000 1.103 238 V HN 0.050 nan 8.190 nan 0.000 0.510 239 D N 0.797 121.267 120.400 0.117 0.000 2.234 239 D HA -0.006 4.693 4.640 0.099 0.000 0.205 239 D C 1.979 178.422 176.300 0.239 0.000 0.962 239 D CA 1.377 55.477 54.000 0.166 0.000 0.855 239 D CB -0.319 40.588 40.800 0.179 0.000 0.951 239 D HN 0.459 nan 8.370 nan 0.000 0.500 240 G N 1.007 109.940 108.800 0.222 0.000 2.453 240 G HA2 -0.286 3.733 3.960 0.099 0.000 0.215 240 G HA3 -0.286 3.733 3.960 0.099 0.000 0.215 240 G C 1.544 176.599 174.900 0.260 0.000 1.201 240 G CA 0.459 45.745 45.100 0.311 0.000 0.784 240 G HN 0.252 nan 8.290 nan 0.000 0.545 241 Q N -0.077 119.780 119.800 0.096 0.000 2.135 241 Q HA -0.107 4.292 4.340 0.099 0.000 0.204 241 Q C 2.942 178.943 176.000 0.001 0.000 0.981 241 Q CA 1.661 57.468 55.803 0.006 0.000 0.856 241 Q CB -0.072 28.656 28.738 -0.017 0.000 0.902 241 Q HN 0.359 nan 8.270 nan 0.000 0.425 242 K N 0.007 120.440 120.400 0.054 0.000 2.097 242 K HA -0.112 4.267 4.320 0.099 0.000 0.205 242 K C 1.639 178.253 176.600 0.024 0.000 1.050 242 K CA 1.048 57.355 56.287 0.034 0.000 0.938 242 K CB -0.653 31.882 32.500 0.058 0.000 0.718 242 K HN 0.337 nan 8.250 nan 0.000 0.442 243 F N 1.435 121.359 119.950 -0.043 0.000 2.095 243 F HA -0.216 4.371 4.527 0.099 0.000 0.298 243 F C 2.077 177.747 175.800 -0.216 0.000 1.104 243 F CA 1.291 59.198 58.000 -0.154 0.000 1.232 243 F CB -0.650 38.185 39.000 -0.274 0.000 0.987 243 F HN -0.134 nan 8.300 nan 0.000 0.475 244 V N 0.910 120.623 119.914 -0.335 0.000 2.250 244 V HA -0.399 3.780 4.120 0.099 0.000 0.253 244 V C 2.280 178.176 176.094 -0.331 0.000 1.065 244 V CA 2.529 64.480 62.300 -0.581 0.000 1.039 244 V CB -0.970 30.469 31.823 -0.640 0.000 0.647 244 V HN 0.422 nan 8.190 nan 0.000 0.446 245 E N -0.608 119.456 120.200 -0.227 0.000 2.153 245 E HA -0.223 4.187 4.350 0.099 0.000 0.194 245 E C 2.175 178.675 176.600 -0.167 0.000 0.988 245 E CA 1.437 57.749 56.400 -0.145 0.000 0.811 245 E CB -0.250 29.392 29.700 -0.096 0.000 0.746 245 E HN 0.574 nan 8.360 nan 0.000 0.466 246 M N 0.083 119.525 119.600 -0.262 0.000 2.200 246 M HA -0.064 4.475 4.480 0.099 0.000 0.265 246 M C 2.200 178.303 176.300 -0.328 0.000 1.066 246 M CA 1.266 56.403 55.300 -0.271 0.000 1.127 246 M CB 0.109 32.537 32.600 -0.288 0.000 1.379 246 M HN 0.104 nan 8.290 nan 0.000 0.420 247 A N -1.137 121.392 122.820 -0.484 0.000 2.220 247 A HA -0.026 4.353 4.320 0.099 0.000 0.211 247 A C 1.456 178.969 177.584 -0.118 0.000 1.176 247 A CA 0.585 52.371 52.037 -0.419 0.000 0.834 247 A CB -0.308 18.213 19.000 -0.799 0.000 0.868 247 A HN 0.301 nan 8.150 nan 0.000 0.488 248 D N 0.867 121.288 120.400 0.036 0.000 2.158 248 D HA -0.172 4.528 4.640 0.099 0.000 0.197 248 D C 2.306 178.620 176.300 0.024 0.000 0.995 248 D CA 1.992 56.096 54.000 0.175 0.000 0.846 248 D CB 0.063 40.936 40.800 0.121 0.000 0.941 248 D HN 0.505 nan 8.370 nan 0.000 0.456 249 S N -1.049 114.629 115.700 -0.036 0.000 2.453 249 S HA -0.053 4.476 4.470 0.099 0.000 0.231 249 S C 2.007 176.564 174.600 -0.072 0.000 1.005 249 S CA 0.440 58.612 58.200 -0.046 0.000 0.949 249 S CB -0.306 62.865 63.200 -0.048 0.000 0.774 249 S HN 0.307 nan 8.310 nan 0.000 0.510 250 L N 1.538 122.695 121.223 -0.109 0.000 2.354 250 L HA 0.285 4.684 4.340 0.099 0.000 0.212 250 L C 0.638 177.405 176.870 -0.172 0.000 1.091 250 L CA -0.081 54.685 54.840 -0.123 0.000 0.828 250 L CB 0.022 42.005 42.059 -0.127 0.000 0.973 250 L HN 0.308 nan 8.230 nan 0.000 0.461 251 V N -3.710 116.047 119.914 -0.261 0.000 2.509 251 V HA 0.286 4.466 4.120 0.099 0.000 0.284 251 V C 0.288 176.206 176.094 -0.292 0.000 1.047 251 V CA -0.547 61.508 62.300 -0.409 0.000 0.952 251 V CB 1.461 32.725 31.823 -0.930 0.000 0.988 251 V HN 0.039 nan 8.190 nan 0.000 0.469 252 D N 3.068 123.318 120.400 -0.249 0.000 2.305 252 D HA 0.185 4.884 4.640 0.099 0.000 0.206 252 D C 0.381 176.585 176.300 -0.160 0.000 0.974 252 D CA 1.160 55.066 54.000 -0.157 0.000 0.871 252 D CB 0.701 41.435 40.800 -0.111 0.000 0.947 252 D HN 0.682 nan 8.370 nan 0.000 0.516 253 M N -0.189 119.253 119.600 -0.263 0.000 2.365 253 M HA 0.254 4.794 4.480 0.099 0.000 0.288 253 M C -2.113 174.025 176.300 -0.269 0.000 1.152 253 M CA -0.580 54.608 55.300 -0.188 0.000 0.948 253 M CB 2.023 34.538 32.600 -0.142 0.000 1.729 253 M HN -0.232 nan 8.290 nan 0.000 0.487 254 W N 3.099 124.399 121.300 0.001 0.000 2.417 254 W HA 0.468 5.187 4.660 0.099 0.000 0.317 254 W C -0.325 176.248 176.519 0.090 0.000 1.121 254 W CA 0.139 57.532 57.345 0.079 0.000 1.208 254 W CB 0.907 30.424 29.460 0.096 0.000 1.253 254 W HN 0.429 nan 8.180 nan 0.000 0.533 255 D N 3.718 124.395 120.400 0.462 0.000 2.469 255 D HA 0.264 4.964 4.640 0.099 0.000 0.251 255 D C -1.248 175.306 176.300 0.422 0.000 1.173 255 D CA -0.337 53.888 54.000 0.375 0.000 0.882 255 D CB 0.882 41.983 40.800 0.501 0.000 1.129 255 D HN 0.072 nan 8.370 nan 0.000 0.549 256 I N 3.130 123.879 120.570 0.299 0.000 2.377 256 I HA 0.349 4.578 4.170 0.099 0.000 0.293 256 I C 0.993 177.182 176.117 0.120 0.000 0.987 256 I CA -0.475 60.962 61.300 0.227 0.000 1.185 256 I CB 1.190 39.283 38.000 0.154 0.000 1.341 256 I HN 0.391 nan 8.210 nan 0.000 0.455 257 T N 4.283 118.861 114.554 0.041 0.000 2.831 257 T HA 0.891 5.300 4.350 0.099 0.000 0.287 257 T C -0.269 174.330 174.700 -0.169 0.000 1.070 257 T CA -0.749 61.319 62.100 -0.053 0.000 1.010 257 T CB 2.402 71.213 68.868 -0.096 0.000 1.264 257 T HN 0.487 nan 8.240 nan 0.000 0.532 258 I N -2.651 117.787 120.570 -0.220 0.000 3.042 258 I HA 0.864 5.093 4.170 0.099 0.000 0.310 258 I C 0.436 176.395 176.117 -0.263 0.000 1.117 258 I CA -0.961 60.140 61.300 -0.332 0.000 1.003 258 I CB 1.491 39.147 38.000 -0.573 0.000 1.228 258 I HN 1.319 nan 8.210 nan 0.000 0.443 259 G N 2.511 111.154 108.800 -0.261 0.000 2.685 259 G HA2 -0.026 3.994 3.960 0.099 0.000 0.387 259 G HA3 -0.026 3.994 3.960 0.099 0.000 0.387 259 G C -1.245 173.582 174.900 -0.122 0.000 1.324 259 G CA 0.087 45.093 45.100 -0.156 0.000 0.878 259 G HN 1.254 nan 8.290 nan 0.000 0.527 260 D N -1.745 118.615 120.400 -0.066 0.000 2.607 260 D HA 0.687 5.387 4.640 0.099 0.000 0.253 260 D C 1.413 177.674 176.300 -0.065 0.000 1.171 260 D CA -0.087 53.858 54.000 -0.092 0.000 1.084 260 D CB 0.335 41.059 40.800 -0.126 0.000 1.203 260 D HN 0.766 nan 8.370 nan 0.000 0.629 261 I N -0.223 120.227 120.570 -0.200 0.000 2.810 261 I HA 0.270 4.499 4.170 0.099 0.000 0.262 261 I C 2.027 178.020 176.117 -0.206 0.000 1.131 261 I CA 0.893 61.961 61.300 -0.386 0.000 1.453 261 I CB -0.893 36.581 38.000 -0.877 0.000 1.161 261 I HN 0.490 nan 8.210 nan 0.000 0.444 262 A N -0.150 122.616 122.820 -0.089 0.000 1.978 262 A HA -0.123 4.256 4.320 0.099 0.000 0.220 262 A C 1.428 179.131 177.584 0.199 0.000 1.170 262 A CA 1.521 53.646 52.037 0.147 0.000 0.636 262 A CB -0.498 18.617 19.000 0.192 0.000 0.810 262 A HN 0.581 nan 8.150 nan 0.000 0.448 263 E N -0.026 120.264 120.200 0.151 0.000 3.896 263 E HA 0.064 4.473 4.350 0.099 0.000 0.217 263 E C 0.110 176.795 176.600 0.141 0.000 1.150 263 E CA -0.470 56.006 56.400 0.127 0.000 1.338 263 E CB -0.010 29.744 29.700 0.088 0.000 1.242 263 E HN 0.903 nan 8.360 nan 0.000 0.435 264 W N 0.499 121.798 121.300 -0.001 0.000 3.180 264 W HA 0.201 4.920 4.660 0.099 0.000 0.254 264 W C 0.684 177.226 176.519 0.038 0.000 1.318 264 W CA 0.295 57.649 57.345 0.015 0.000 1.608 264 W CB -0.556 28.901 29.460 -0.006 0.000 1.124 264 W HN 0.180 nan 8.180 nan 0.000 0.694 265 G N 1.577 110.251 108.800 -0.210 0.000 2.559 265 G HA2 -0.250 3.769 3.960 0.099 0.000 0.216 265 G HA3 -0.250 3.769 3.960 0.099 0.000 0.216 265 G C 1.434 176.328 174.900 -0.011 0.000 1.126 265 G CA 0.474 45.482 45.100 -0.153 0.000 0.778 265 G HN 0.154 nan 8.290 nan 0.000 0.543 266 E N 0.669 120.863 120.200 -0.010 0.000 2.274 266 E HA -0.059 4.350 4.350 0.099 0.000 0.194 266 E C 1.823 178.355 176.600 -0.113 0.000 0.996 266 E CA 1.018 57.344 56.400 -0.124 0.000 0.840 266 E CB 0.084 29.704 29.700 -0.133 0.000 0.772 266 E HN 0.545 nan 8.360 nan 0.000 0.491 267 D N 0.693 121.120 120.400 0.045 0.000 2.232 267 D HA -0.007 4.692 4.640 0.099 0.000 0.220 267 D C 0.545 176.951 176.300 0.177 0.000 0.982 267 D CA 1.015 55.092 54.000 0.129 0.000 0.892 267 D CB -0.118 40.863 40.800 0.302 0.000 1.040 267 D HN -0.025 nan 8.370 nan 0.000 0.463 268 A N 0.640 123.555 122.820 0.157 0.000 3.037 268 A HA 0.545 4.925 4.320 0.099 0.000 0.272 268 A C 0.829 178.410 177.584 -0.004 0.000 1.723 268 A CA 0.064 52.139 52.037 0.064 0.000 1.413 268 A CB -1.124 17.835 19.000 -0.067 0.000 1.112 268 A HN 0.319 nan 8.150 nan 0.000 0.606 269 G N 2.604 111.408 108.800 0.007 0.000 2.255 269 G HA2 0.381 4.400 3.960 0.099 0.000 0.267 269 G HA3 0.381 4.400 3.960 0.099 0.000 0.267 269 G C -2.555 172.383 174.900 0.064 0.000 1.177 269 G CA -0.578 44.469 45.100 -0.089 0.000 1.027 269 G HN 0.428 nan 8.290 nan 0.000 0.437 270 P HA 0.073 nan 4.420 nan 0.000 0.268 270 P C 1.178 178.524 177.300 0.077 0.000 1.205 270 P CA -0.208 62.969 63.100 0.128 0.000 0.771 270 P CB 1.188 32.992 31.700 0.173 0.000 0.858 271 S N 3.206 118.946 115.700 0.066 0.000 2.419 271 S HA -0.218 4.312 4.470 0.099 0.000 0.233 271 S C 1.866 176.387 174.600 -0.132 0.000 1.016 271 S CA 0.643 58.855 58.200 0.020 0.000 0.974 271 S CB -0.764 62.482 63.200 0.076 0.000 0.786 271 S HN 0.414 nan 8.310 nan 0.000 0.492 272 R N 0.463 120.804 120.500 -0.264 0.000 2.133 272 R HA -0.128 4.272 4.340 0.099 0.000 0.247 272 R C 1.187 177.010 176.300 -0.795 0.000 1.151 272 R CA 2.075 57.787 56.100 -0.646 0.000 0.971 272 R CB -0.289 29.445 30.300 -0.943 0.000 0.866 272 R HN 0.608 nan 8.270 nan 0.000 0.447 273 F N -2.672 117.109 119.950 -0.281 0.000 2.712 273 F HA 0.252 4.838 4.527 0.098 0.000 0.297 273 F C -0.178 175.181 175.800 -0.735 0.000 1.114 273 F CA -0.623 57.028 58.000 -0.582 0.000 1.305 273 F CB 0.570 39.048 39.000 -0.869 0.000 1.086 273 F HN -0.153 nan 8.300 nan 0.000 0.599 274 Y N 0.774 121.073 120.300 -0.001 0.000 2.406 274 Y HA 0.441 5.051 4.550 0.099 0.000 0.340 274 Y C -0.221 175.641 175.900 -0.064 0.000 0.975 274 Y CA -1.806 56.234 58.100 -0.102 0.000 1.056 274 Y CB 1.095 39.256 38.460 -0.498 0.000 1.210 274 Y HN -0.144 nan 8.280 nan 0.000 0.448 275 Q N 1.026 120.950 119.800 0.207 0.000 2.256 275 Q HA 0.231 4.630 4.340 0.099 0.000 0.232 275 Q C -0.367 175.766 176.000 0.222 0.000 0.965 275 Q CA -1.033 54.878 55.803 0.180 0.000 0.908 275 Q CB 0.877 29.715 28.738 0.168 0.000 1.209 275 Q HN 0.601 nan 8.270 nan 0.000 0.489 276 Q N 0.109 120.010 119.800 0.169 0.000 2.398 276 Q HA -0.030 4.370 4.340 0.099 0.000 0.329 276 Q C 0.369 176.421 176.000 0.086 0.000 1.079 276 Q CA 1.233 57.094 55.803 0.096 0.000 1.041 276 Q CB -0.199 28.616 28.738 0.129 0.000 1.084 276 Q HN 0.890 nan 8.270 nan 0.000 0.386 277 G N 3.186 111.911 108.800 -0.125 0.000 2.143 277 G HA2 -0.342 3.677 3.960 0.099 0.000 0.249 277 G HA3 -0.342 3.677 3.960 0.099 0.000 0.249 277 G C 0.134 175.076 174.900 0.071 0.000 0.981 277 G CA 0.753 45.858 45.100 0.008 0.000 0.665 277 G HN 1.103 nan 8.290 nan 0.000 0.528 278 H N -1.172 117.928 119.070 0.051 0.000 2.456 278 H HA 0.020 4.635 4.556 0.099 0.000 0.296 278 H C 2.437 177.864 175.328 0.165 0.000 1.079 278 H CA 2.130 58.253 56.048 0.125 0.000 1.322 278 H CB -0.435 29.395 29.762 0.113 0.000 1.388 278 H HN 0.524 nan 8.280 nan 0.000 0.538 279 T N -1.630 112.646 114.554 -0.463 0.000 3.088 279 T HA 0.062 4.471 4.350 0.099 0.000 0.259 279 T C 1.891 176.671 174.700 0.133 0.000 1.122 279 T CA 0.518 62.522 62.100 -0.160 0.000 1.095 279 T CB -0.465 68.207 68.868 -0.326 0.000 0.930 279 T HN 0.383 nan 8.240 nan 0.000 0.508 280 I N 2.225 122.844 120.570 0.083 0.000 2.143 280 I HA -0.157 4.072 4.170 0.099 0.000 0.245 280 I C -0.615 175.444 176.117 -0.095 0.000 1.068 280 I CA 1.553 62.870 61.300 0.029 0.000 1.326 280 I CB -1.157 36.872 38.000 0.048 0.000 1.028 280 I HN 0.250 nan 8.210 nan 0.000 0.412 281 P HA -0.163 nan 4.420 nan 0.000 0.220 281 P C 1.231 178.270 177.300 -0.435 0.000 1.148 281 P CA 1.432 64.289 63.100 -0.405 0.000 0.803 281 P CB -0.079 31.216 31.700 -0.676 0.000 0.782 282 W N -1.591 119.635 121.300 -0.122 0.000 2.580 282 W HA 0.059 4.779 4.660 0.099 0.000 0.287 282 W C 1.978 178.422 176.519 -0.125 0.000 1.175 282 W CA 0.239 57.512 57.345 -0.120 0.000 1.409 282 W CB -1.003 28.384 29.460 -0.121 0.000 1.101 282 W HN -0.297 nan 8.180 nan 0.000 0.558 283 V N 2.304 122.299 119.914 0.134 0.000 2.287 283 V HA -0.355 3.824 4.120 0.099 0.000 0.248 283 V C 2.451 178.545 176.094 -0.001 0.000 1.053 283 V CA 2.641 64.977 62.300 0.060 0.000 1.027 283 V CB -1.079 30.793 31.823 0.081 0.000 0.646 283 V HN 0.213 nan 8.190 nan 0.000 0.447 284 K N 0.652 121.008 120.400 -0.075 0.000 2.286 284 K HA -0.178 4.201 4.320 0.099 0.000 0.203 284 K C 1.895 178.440 176.600 -0.092 0.000 1.045 284 K CA 1.793 58.000 56.287 -0.134 0.000 0.935 284 K CB -0.579 31.627 32.500 -0.489 0.000 0.737 284 K HN 0.432 nan 8.250 nan 0.000 0.460 285 L N 1.201 122.367 121.223 -0.094 0.000 2.362 285 L HA -0.104 4.296 4.340 0.099 0.000 0.219 285 L C 2.243 179.068 176.870 -0.075 0.000 1.134 285 L CA 0.239 55.031 54.840 -0.081 0.000 0.807 285 L CB -0.210 41.803 42.059 -0.076 0.000 0.927 285 L HN 0.037 nan 8.230 nan 0.000 0.447 286 V N -0.331 119.537 119.914 -0.077 0.000 2.346 286 V HA -0.195 3.984 4.120 0.099 0.000 0.244 286 V C 2.303 178.328 176.094 -0.116 0.000 1.037 286 V CA 1.446 63.663 62.300 -0.137 0.000 1.029 286 V CB -0.332 31.392 31.823 -0.166 0.000 0.663 286 V HN 0.367 nan 8.190 nan 0.000 0.454 287 K N 0.248 120.622 120.400 -0.043 0.000 2.360 287 K HA -0.177 4.202 4.320 0.099 0.000 0.201 287 K C 2.337 178.931 176.600 -0.011 0.000 1.046 287 K CA 1.322 57.604 56.287 -0.008 0.000 0.945 287 K CB -0.246 32.279 32.500 0.042 0.000 0.750 287 K HN 0.646 nan 8.250 nan 0.000 0.464 288 Q N 0.523 120.309 119.800 -0.024 0.000 2.364 288 Q HA -0.047 4.352 4.340 0.099 0.000 0.207 288 Q C 1.868 177.846 176.000 -0.038 0.000 0.970 288 Q CA 1.680 57.469 55.803 -0.023 0.000 0.888 288 Q CB -0.367 28.353 28.738 -0.030 0.000 0.951 288 Q HN 0.366 nan 8.270 nan 0.000 0.469 289 V N -4.942 114.934 119.914 -0.063 0.000 3.485 289 V HA 0.405 4.585 4.120 0.099 0.000 0.280 289 V C 0.903 176.951 176.094 -0.076 0.000 1.495 289 V CA 0.461 62.718 62.300 -0.071 0.000 1.018 289 V CB 0.638 32.408 31.823 -0.088 0.000 0.818 289 V HN 0.332 nan 8.190 nan 0.000 0.436 290 S N 0.942 116.591 115.700 -0.085 0.000 2.578 290 S HA 0.485 5.014 4.470 0.099 0.000 0.283 290 S C 0.535 175.147 174.600 0.019 0.000 1.195 290 S CA -0.598 57.575 58.200 -0.045 0.000 1.050 290 S CB 1.350 64.487 63.200 -0.105 0.000 1.012 290 S HN 0.366 nan 8.310 nan 0.000 0.511 291 K N 2.280 122.712 120.400 0.053 0.000 2.372 291 K HA 0.243 4.623 4.320 0.099 0.000 0.200 291 K C -0.154 176.488 176.600 0.071 0.000 1.022 291 K CA -0.023 56.291 56.287 0.046 0.000 1.125 291 K CB 0.263 32.781 32.500 0.029 0.000 0.855 291 K HN 0.418 nan 8.250 nan 0.000 0.524 292 K N 1.149 121.628 120.400 0.131 0.000 2.139 292 K HA 0.423 4.802 4.320 0.099 0.000 0.243 292 K C -2.606 174.083 176.600 0.148 0.000 0.983 292 K CA -2.388 53.986 56.287 0.144 0.000 0.890 292 K CB 0.495 33.114 32.500 0.199 0.000 1.090 292 K HN -0.219 nan 8.250 nan 0.000 0.445 293 P HA 0.152 nan 4.420 nan 0.000 0.271 293 P C -0.836 176.542 177.300 0.130 0.000 1.218 293 P CA -0.291 62.855 63.100 0.076 0.000 0.780 293 P CB 0.594 32.312 31.700 0.030 0.000 0.901 294 V N 3.525 123.501 119.914 0.104 0.000 2.686 294 V HA 0.488 4.667 4.120 0.099 0.000 0.306 294 V C -0.067 176.067 176.094 0.067 0.000 1.065 294 V CA -0.638 61.746 62.300 0.141 0.000 0.894 294 V CB 1.600 33.501 31.823 0.130 0.000 1.004 294 V HN 0.378 nan 8.190 nan 0.000 0.424 295 L N 2.149 123.412 121.223 0.067 0.000 2.283 295 L HA 1.177 5.577 4.340 0.099 0.000 0.259 295 L C -0.011 176.928 176.870 0.115 0.000 1.027 295 L CA -0.620 54.247 54.840 0.046 0.000 0.828 295 L CB 2.211 44.245 42.059 -0.040 0.000 1.380 295 L HN 0.744 nan 8.230 nan 0.000 0.425 296 G N 0.545 109.430 108.800 0.142 0.000 2.413 296 G HA2 0.547 4.567 3.960 0.099 0.000 0.285 296 G HA3 0.547 4.567 3.960 0.099 0.000 0.285 296 G C -0.703 174.343 174.900 0.243 0.000 1.337 296 G CA -0.113 45.089 45.100 0.170 0.000 1.324 296 G HN 1.089 nan 8.290 nan 0.000 0.611 297 V N 0.832 120.872 119.914 0.211 0.000 3.178 297 V HA 0.765 4.944 4.120 0.099 0.000 0.306 297 V C 0.947 177.082 176.094 0.069 0.000 1.107 297 V CA 0.653 63.086 62.300 0.222 0.000 1.195 297 V CB 1.573 33.495 31.823 0.165 0.000 0.993 297 V HN 1.740 nan 8.190 nan 0.000 0.493 298 G N 2.376 111.072 108.800 -0.174 0.000 5.312 298 G HA2 0.297 4.316 3.960 0.099 0.000 0.204 298 G HA3 0.297 4.316 3.960 0.099 0.000 0.204 298 G C 0.188 174.726 174.900 -0.604 0.000 1.097 298 G CA -0.185 44.579 45.100 -0.560 0.000 0.621 298 G HN 1.091 nan 8.290 nan 0.000 0.290 299 R N -0.492 119.897 120.500 -0.185 0.000 3.322 299 R HA -0.221 4.178 4.340 0.099 0.000 0.253 299 R C -0.673 175.597 176.300 -0.050 0.000 0.987 299 R CA 0.268 56.347 56.100 -0.035 0.000 0.666 299 R CB -1.560 28.779 30.300 0.064 0.000 1.072 299 R HN 0.446 nan 8.270 nan 0.000 0.447 300 Y N -0.290 120.119 120.300 0.181 0.000 2.587 300 Y HA 0.030 4.640 4.550 0.099 0.000 0.344 300 Y C 1.845 177.862 175.900 0.195 0.000 1.061 300 Y CA 0.712 58.916 58.100 0.172 0.000 1.370 300 Y CB 1.032 39.583 38.460 0.150 0.000 1.163 300 Y HN 0.229 nan 8.280 nan 0.000 0.527 301 T N -2.802 111.930 114.554 0.296 0.000 2.958 301 T HA 0.094 4.503 4.350 0.099 0.000 0.256 301 T C -0.064 174.755 174.700 0.199 0.000 0.983 301 T CA -0.198 62.044 62.100 0.236 0.000 0.924 301 T CB 0.305 69.272 68.868 0.164 0.000 1.136 301 T HN 0.391 nan 8.240 nan 0.000 0.506 302 D N 2.773 123.291 120.400 0.197 0.000 2.349 302 D HA 0.338 5.037 4.640 0.099 0.000 0.232 302 D C -1.676 174.678 176.300 0.090 0.000 1.071 302 D CA -2.531 51.548 54.000 0.132 0.000 0.832 302 D CB 2.474 43.344 40.800 0.118 0.000 1.086 302 D HN -0.066 nan 8.370 nan 0.000 0.504 303 P HA -0.129 nan 4.420 nan 0.000 0.220 303 P C 0.934 178.157 177.300 -0.129 0.000 1.148 303 P CA 0.758 63.763 63.100 -0.158 0.000 0.803 303 P CB 0.648 32.057 31.700 -0.484 0.000 0.782 304 E N 0.526 120.729 120.200 0.004 0.000 2.085 304 E HA -0.206 4.203 4.350 0.099 0.000 0.194 304 E C 1.979 178.617 176.600 0.064 0.000 0.994 304 E CA 1.364 57.822 56.400 0.095 0.000 0.801 304 E CB -0.397 29.358 29.700 0.092 0.000 0.743 304 E HN 0.233 nan 8.360 nan 0.000 0.453 305 K N 0.472 120.918 120.400 0.077 0.000 2.167 305 K HA 0.044 4.424 4.320 0.099 0.000 0.203 305 K C 2.126 178.716 176.600 -0.017 0.000 1.052 305 K CA 0.732 57.080 56.287 0.100 0.000 0.956 305 K CB -0.116 32.527 32.500 0.238 0.000 0.735 305 K HN 0.010 nan 8.250 nan 0.000 0.451 306 M N 0.539 120.093 119.600 -0.077 0.000 2.086 306 M HA -0.118 4.422 4.480 0.099 0.000 0.261 306 M C 2.001 178.186 176.300 -0.191 0.000 1.067 306 M CA 1.859 57.019 55.300 -0.234 0.000 1.116 306 M CB -0.514 31.946 32.600 -0.234 0.000 1.348 306 M HN 0.240 nan 8.290 nan 0.000 0.407 307 I N -2.185 118.326 120.570 -0.097 0.000 2.493 307 I HA -0.153 4.077 4.170 0.099 0.000 0.254 307 I C 2.112 178.183 176.117 -0.077 0.000 1.160 307 I CA 1.356 62.618 61.300 -0.063 0.000 1.445 307 I CB -0.723 37.306 38.000 0.048 0.000 1.086 307 I HN 0.359 nan 8.210 nan 0.000 0.433 308 E N 2.465 122.629 120.200 -0.060 0.000 2.031 308 E HA -0.240 4.169 4.350 0.099 0.000 0.193 308 E C 2.359 178.872 176.600 -0.145 0.000 0.994 308 E CA 2.312 58.671 56.400 -0.069 0.000 0.800 308 E CB -0.241 29.458 29.700 -0.002 0.000 0.752 308 E HN 0.801 nan 8.360 nan 0.000 0.447 309 I N -1.586 118.909 120.570 -0.125 0.000 2.493 309 I HA -0.155 4.074 4.170 0.099 0.000 0.254 309 I C 2.080 178.090 176.117 -0.178 0.000 1.160 309 I CA 0.712 61.942 61.300 -0.116 0.000 1.445 309 I CB -0.245 37.724 38.000 -0.051 0.000 1.086 309 I HN -0.064 nan 8.210 nan 0.000 0.433 310 V N 2.216 122.026 119.914 -0.173 0.000 2.323 310 V HA -0.213 3.966 4.120 0.099 0.000 0.244 310 V C 2.907 178.910 176.094 -0.151 0.000 1.041 310 V CA 2.557 64.768 62.300 -0.148 0.000 1.025 310 V CB -1.238 30.498 31.823 -0.145 0.000 0.656 310 V HN 0.715 nan 8.190 nan 0.000 0.451 311 T N -2.147 112.314 114.554 -0.155 0.000 3.023 311 T HA -0.084 4.325 4.350 0.099 0.000 0.266 311 T C 1.632 176.217 174.700 -0.191 0.000 1.093 311 T CA 0.822 62.842 62.100 -0.135 0.000 1.129 311 T CB -0.231 68.581 68.868 -0.093 0.000 0.899 311 T HN 0.418 nan 8.240 nan 0.000 0.491 312 K N 0.832 121.035 120.400 -0.329 0.000 2.459 312 K HA 0.315 4.694 4.320 0.099 0.000 0.193 312 K C 1.438 177.734 176.600 -0.507 0.000 1.030 312 K CA 0.372 56.357 56.287 -0.503 0.000 1.026 312 K CB 0.013 31.984 32.500 -0.882 0.000 0.809 312 K HN 0.522 nan 8.250 nan 0.000 0.504 313 G N 0.873 109.476 108.800 -0.330 0.000 2.132 313 G HA2 -0.248 3.772 3.960 0.099 0.000 0.228 313 G HA3 -0.248 3.772 3.960 0.099 0.000 0.228 313 G C 0.288 175.195 174.900 0.011 0.000 1.000 313 G CA -0.026 44.996 45.100 -0.130 0.000 0.693 313 G HN 0.221 nan 8.290 nan 0.000 0.515 314 Y N -0.197 120.085 120.300 -0.029 0.000 2.490 314 Y HA 0.601 5.210 4.550 0.099 0.000 0.285 314 Y C 1.651 177.539 175.900 -0.021 0.000 1.117 314 Y CA 0.255 58.343 58.100 -0.021 0.000 1.262 314 Y CB 0.084 38.536 38.460 -0.014 0.000 1.043 314 Y HN 0.930 nan 8.280 nan 0.000 0.553 315 A N -0.907 121.973 122.820 0.100 0.000 2.612 315 A HA 0.510 4.889 4.320 0.099 0.000 0.293 315 A C -0.243 177.330 177.584 -0.018 0.000 1.075 315 A CA -0.505 51.556 52.037 0.039 0.000 0.680 315 A CB 0.658 19.669 19.000 0.018 0.000 1.279 315 A HN 0.052 nan 8.150 nan 0.000 0.411 316 D N -0.162 120.226 120.400 -0.020 0.000 2.388 316 D HA 0.244 4.943 4.640 0.099 0.000 0.208 316 D C -0.002 176.253 176.300 -0.075 0.000 1.035 316 D CA 1.192 55.168 54.000 -0.041 0.000 0.875 316 D CB 0.639 41.432 40.800 -0.013 0.000 0.984 316 D HN 0.479 nan 8.370 nan 0.000 0.508 317 I N 1.244 121.768 120.570 -0.076 0.000 2.769 317 I HA 0.176 4.405 4.170 0.099 0.000 0.298 317 I C -0.809 175.251 176.117 -0.095 0.000 1.128 317 I CA -0.887 60.359 61.300 -0.091 0.000 1.031 317 I CB 3.143 41.102 38.000 -0.068 0.000 1.235 317 I HN -0.295 nan 8.210 nan 0.000 0.423 318 I N 4.046 124.543 120.570 -0.122 0.000 2.281 318 I HA 0.284 4.514 4.170 0.099 0.000 0.293 318 I C 0.775 177.001 176.117 0.182 0.000 1.085 318 I CA -0.070 61.185 61.300 -0.075 0.000 1.257 318 I CB 0.048 37.886 38.000 -0.269 0.000 1.430 318 I HN 0.590 nan 8.210 nan 0.000 0.489 319 G N 5.609 114.544 108.800 0.225 0.000 2.372 319 G HA2 0.468 4.488 3.960 0.099 0.000 0.283 319 G HA3 0.468 4.488 3.960 0.099 0.000 0.283 319 G C -0.764 174.373 174.900 0.395 0.000 1.177 319 G CA -0.093 45.215 45.100 0.347 0.000 0.842 319 G HN 0.664 nan 8.290 nan 0.000 0.503 320 C N 0.970 120.501 119.300 0.386 0.000 2.783 320 C HA 0.775 5.294 4.460 0.099 0.000 0.312 320 C C 1.052 176.099 174.990 0.095 0.000 1.182 320 C CA 0.189 59.373 59.018 0.278 0.000 1.432 320 C CB 1.419 29.398 27.740 0.398 0.000 1.933 320 C HN 1.005 nan 8.230 nan 0.000 0.473 321 A N 2.160 124.998 122.820 0.030 0.000 2.083 321 A HA 0.268 4.648 4.320 0.099 0.000 0.210 321 A C 1.937 179.349 177.584 -0.286 0.000 2.137 321 A CA -0.013 51.932 52.037 -0.153 0.000 1.008 321 A CB -0.480 18.454 19.000 -0.109 0.000 1.306 321 A HN 0.806 nan 8.150 nan 0.000 0.632 322 R N 0.380 120.782 120.500 -0.163 0.000 2.113 322 R HA -0.143 4.256 4.340 0.099 0.000 0.244 322 R C -0.881 175.400 176.300 -0.032 0.000 1.142 322 R CA 2.342 58.378 56.100 -0.107 0.000 0.953 322 R CB -1.531 28.749 30.300 -0.032 0.000 0.860 322 R HN 0.388 nan 8.270 nan 0.000 0.438 323 P HA -0.169 nan 4.420 nan 0.000 0.218 323 P C 1.190 178.582 177.300 0.152 0.000 1.148 323 P CA 1.781 64.971 63.100 0.150 0.000 0.822 323 P CB 0.006 31.869 31.700 0.271 0.000 0.784 324 S N -1.697 113.987 115.700 -0.027 0.000 2.461 324 S HA -0.039 4.490 4.470 0.099 0.000 0.228 324 S C 1.860 176.396 174.600 -0.105 0.000 1.005 324 S CA 0.645 58.710 58.200 -0.225 0.000 0.942 324 S CB -1.306 61.328 63.200 -0.942 0.000 0.776 324 S HN 0.055 nan 8.310 nan 0.000 0.514 325 I N 1.809 122.343 120.570 -0.061 0.000 2.277 325 I HA 0.041 4.271 4.170 0.099 0.000 0.243 325 I C 3.061 179.220 176.117 0.069 0.000 1.094 325 I CA 0.927 62.258 61.300 0.052 0.000 1.393 325 I CB -0.602 37.392 38.000 -0.009 0.000 1.078 325 I HN 0.402 nan 8.210 nan 0.000 0.417 326 A N -0.705 122.139 122.820 0.039 0.000 1.933 326 A HA -0.190 4.189 4.320 0.099 0.000 0.218 326 A C 1.005 178.611 177.584 0.037 0.000 1.175 326 A CA 1.632 53.685 52.037 0.026 0.000 0.628 326 A CB -0.158 18.853 19.000 0.018 0.000 0.814 326 A HN 0.392 nan 8.150 nan 0.000 0.444 327 D N -2.569 117.892 120.400 0.102 0.000 2.364 327 D HA 0.339 5.038 4.640 0.099 0.000 0.251 327 D C -2.468 174.001 176.300 0.283 0.000 1.282 327 D CA -1.571 52.526 54.000 0.163 0.000 0.927 327 D CB 1.263 42.152 40.800 0.148 0.000 1.267 327 D HN -0.100 nan 8.370 nan 0.000 0.531 328 P HA -0.016 nan 4.420 nan 0.000 0.223 328 P C 0.676 178.231 177.300 0.425 0.000 1.144 328 P CA 0.769 64.049 63.100 0.300 0.000 0.783 328 P CB 0.059 31.870 31.700 0.185 0.000 0.771 329 F N -1.984 118.060 119.950 0.156 0.000 2.639 329 F HA 0.233 4.819 4.527 0.099 0.000 0.300 329 F C 1.765 177.542 175.800 -0.038 0.000 1.109 329 F CA -0.371 57.662 58.000 0.055 0.000 1.335 329 F CB -0.878 38.151 39.000 0.047 0.000 1.014 329 F HN -0.183 nan 8.300 nan 0.000 0.537 330 L N 1.174 122.460 121.223 0.106 0.000 1.990 330 L HA -0.181 4.219 4.340 0.099 0.000 0.213 330 L C -0.611 175.991 176.870 -0.447 0.000 1.072 330 L CA 2.065 56.870 54.840 -0.059 0.000 0.755 330 L CB -1.052 41.075 42.059 0.113 0.000 0.889 330 L HN 0.014 nan 8.230 nan 0.000 0.432 331 P HA -0.235 nan 4.420 nan 0.000 0.215 331 P C 1.256 178.237 177.300 -0.531 0.000 1.157 331 P CA 1.445 63.726 63.100 -1.364 0.000 0.863 331 P CB -0.095 30.593 31.700 -1.687 0.000 0.787 332 Q N 0.285 119.866 119.800 -0.364 0.000 2.124 332 Q HA -0.194 4.205 4.340 0.099 0.000 0.202 332 Q C 1.868 177.799 176.000 -0.114 0.000 0.977 332 Q CA 1.624 57.323 55.803 -0.174 0.000 0.850 332 Q CB -0.254 28.434 28.738 -0.085 0.000 0.901 332 Q HN 0.157 nan 8.270 nan 0.000 0.429 333 K N -0.376 119.973 120.400 -0.085 0.000 2.057 333 K HA -0.111 4.269 4.320 0.099 0.000 0.207 333 K C 2.085 178.564 176.600 -0.202 0.000 1.049 333 K CA 1.482 57.715 56.287 -0.090 0.000 0.931 333 K CB -0.009 32.479 32.500 -0.019 0.000 0.714 333 K HN 0.061 nan 8.250 nan 0.000 0.440 334 V N 1.677 121.507 119.914 -0.139 0.000 2.295 334 V HA -0.257 3.923 4.120 0.099 0.000 0.246 334 V C 2.323 178.410 176.094 -0.012 0.000 1.049 334 V CA 1.877 64.162 62.300 -0.025 0.000 1.024 334 V CB -0.426 31.550 31.823 0.254 0.000 0.648 334 V HN 0.401 nan 8.190 nan 0.000 0.447 335 E N -0.000 120.155 120.200 -0.074 0.000 2.130 335 E HA -0.298 4.111 4.350 0.099 0.000 0.196 335 E C 2.046 178.444 176.600 -0.336 0.000 0.998 335 E CA 1.683 57.745 56.400 -0.562 0.000 0.806 335 E CB -0.048 29.223 29.700 -0.716 0.000 0.738 335 E HN 0.699 nan 8.360 nan 0.000 0.459 336 Q N -1.300 118.360 119.800 -0.233 0.000 2.360 336 Q HA 0.134 4.533 4.340 0.099 0.000 0.202 336 Q C 0.835 176.717 176.000 -0.196 0.000 0.915 336 Q CA 0.354 56.052 55.803 -0.175 0.000 0.943 336 Q CB 0.997 29.665 28.738 -0.116 0.000 1.064 336 Q HN 0.460 nan 8.270 nan 0.000 0.511 337 G N 2.078 110.681 108.800 -0.329 0.000 2.153 337 G HA2 -0.324 3.695 3.960 0.099 0.000 0.252 337 G HA3 -0.324 3.695 3.960 0.099 0.000 0.252 337 G C 0.163 174.741 174.900 -0.537 0.000 0.994 337 G CA -0.089 44.715 45.100 -0.493 0.000 0.698 337 G HN 0.303 nan 8.290 nan 0.000 0.521 338 R N -0.031 120.203 120.500 -0.444 0.000 4.518 338 R HA 0.348 4.747 4.340 0.099 0.000 0.243 338 R C 1.104 177.294 176.300 -0.183 0.000 1.720 338 R CA -0.399 55.570 56.100 -0.218 0.000 1.526 338 R CB -0.299 29.946 30.300 -0.092 0.000 1.425 338 R HN 0.560 nan 8.270 nan 0.000 0.787 339 Y N 0.796 121.144 120.300 0.080 0.000 2.256 339 Y HA -0.266 4.343 4.550 0.099 0.000 0.288 339 Y C 2.139 178.088 175.900 0.081 0.000 1.155 339 Y CA 1.274 59.425 58.100 0.085 0.000 1.203 339 Y CB 0.002 38.519 38.460 0.094 0.000 0.980 339 Y HN 0.395 nan 8.280 nan 0.000 0.530 340 D N -1.240 119.274 120.400 0.190 0.000 2.355 340 D HA -0.102 4.598 4.640 0.099 0.000 0.218 340 D C 0.674 177.053 176.300 0.132 0.000 1.004 340 D CA 0.697 54.783 54.000 0.144 0.000 0.880 340 D CB -0.321 40.540 40.800 0.102 0.000 0.911 340 D HN 0.293 nan 8.370 nan 0.000 0.528 341 D N 0.260 120.738 120.400 0.131 0.000 2.350 341 D HA 0.160 4.859 4.640 0.099 0.000 0.213 341 D C 0.692 177.148 176.300 0.259 0.000 1.031 341 D CA -0.196 53.910 54.000 0.176 0.000 0.861 341 D CB 0.722 41.590 40.800 0.114 0.000 0.926 341 D HN 0.331 nan 8.370 nan 0.000 0.520 342 I N 1.424 122.114 120.570 0.199 0.000 2.533 342 I HA 0.013 4.242 4.170 0.099 0.000 0.284 342 I C 0.940 177.128 176.117 0.118 0.000 1.109 342 I CA 0.029 61.420 61.300 0.152 0.000 1.412 342 I CB 0.626 38.709 38.000 0.138 0.000 1.396 342 I HN -0.376 nan 8.210 nan 0.000 0.543 343 R N 6.527 127.004 120.500 -0.039 0.000 2.233 343 R HA 0.409 4.808 4.340 0.099 0.000 0.334 343 R C -1.274 174.932 176.300 -0.156 0.000 1.037 343 R CA -0.517 55.349 56.100 -0.389 0.000 0.920 343 R CB 0.739 30.653 30.300 -0.643 0.000 1.137 343 R HN 0.443 nan 8.270 nan 0.000 0.492 344 V N 5.273 125.141 119.914 -0.077 0.000 2.488 344 V HA 0.031 4.210 4.120 0.099 0.000 0.277 344 V C 0.786 176.941 176.094 0.101 0.000 1.046 344 V CA -0.782 61.527 62.300 0.016 0.000 0.986 344 V CB 0.943 32.712 31.823 -0.090 0.000 0.989 344 V HN 0.878 nan 8.190 nan 0.000 0.475 345 C N 6.881 126.247 119.300 0.110 0.000 2.563 345 C HA 0.087 4.606 4.460 0.099 0.000 0.411 345 C C 1.806 176.897 174.990 0.169 0.000 1.386 345 C CA 0.154 59.234 59.018 0.103 0.000 1.703 345 C CB -1.211 26.582 27.740 0.087 0.000 2.596 345 C HN 0.921 nan 8.230 nan 0.000 0.605 346 I N 3.578 124.187 120.570 0.064 0.000 3.883 346 I HA 0.328 4.558 4.170 0.099 0.000 0.326 346 I C 1.436 177.535 176.117 -0.030 0.000 1.283 346 I CA 0.539 61.834 61.300 -0.008 0.000 1.161 346 I CB -0.863 37.014 38.000 -0.205 0.000 1.012 346 I HN 0.938 nan 8.210 nan 0.000 0.421 347 G N 2.435 111.239 108.800 0.007 0.000 2.356 347 G HA2 -0.345 3.674 3.960 0.099 0.000 0.296 347 G HA3 -0.345 3.674 3.960 0.099 0.000 0.296 347 G C 0.817 175.742 174.900 0.042 0.000 1.022 347 G CA 0.517 45.639 45.100 0.035 0.000 0.961 347 G HN 0.854 nan 8.290 nan 0.000 0.510 348 C N -2.210 117.025 119.300 -0.108 0.000 2.514 348 C HA 0.281 4.800 4.460 0.099 0.000 0.271 348 C C 1.591 176.617 174.990 0.060 0.000 1.399 348 C CA 0.261 59.212 59.018 -0.111 0.000 1.765 348 C CB -0.538 26.804 27.740 -0.664 0.000 1.893 348 C HN 0.797 nan 8.230 nan 0.000 0.531 349 N N 0.111 118.822 118.700 0.019 0.000 2.741 349 N HA -0.141 4.659 4.740 0.099 0.000 0.251 349 N C 0.572 176.126 175.510 0.074 0.000 1.112 349 N CA 1.006 54.075 53.050 0.032 0.000 0.750 349 N CB -1.874 36.620 38.487 0.011 0.000 1.119 349 N HN 0.541 nan 8.380 nan 0.000 0.561 350 V N -0.156 119.804 119.914 0.078 0.000 2.427 350 V HA -0.281 3.899 4.120 0.099 0.000 0.248 350 V C 2.593 178.745 176.094 0.097 0.000 1.051 350 V CA 1.923 64.299 62.300 0.127 0.000 1.048 350 V CB -0.731 31.153 31.823 0.103 0.000 0.666 350 V HN 0.788 nan 8.190 nan 0.000 0.456 351 C N 0.056 119.391 119.300 0.058 0.000 2.398 351 C HA -0.179 4.340 4.460 0.099 0.000 0.276 351 C C 2.430 177.479 174.990 0.099 0.000 1.222 351 C CA 0.857 59.910 59.018 0.057 0.000 1.746 351 C CB -1.478 26.274 27.740 0.020 0.000 2.039 351 C HN 0.509 nan 8.230 nan 0.000 0.470 352 I N 2.878 123.507 120.570 0.097 0.000 2.353 352 I HA -0.154 4.075 4.170 0.099 0.000 0.248 352 I C 2.990 179.234 176.117 0.213 0.000 1.119 352 I CA 1.794 63.199 61.300 0.174 0.000 1.417 352 I CB -0.425 37.596 38.000 0.036 0.000 1.078 352 I HN 0.596 nan 8.210 nan 0.000 0.421 353 S N 1.153 116.921 115.700 0.114 0.000 2.374 353 S HA -0.242 4.287 4.470 0.099 0.000 0.227 353 S C 2.225 176.799 174.600 -0.043 0.000 1.037 353 S CA 0.883 59.100 58.200 0.029 0.000 1.024 353 S CB -0.384 62.786 63.200 -0.049 0.000 0.861 353 S HN 0.290 nan 8.310 nan 0.000 0.456 354 R N 0.426 120.951 120.500 0.042 0.000 2.080 354 R HA -0.082 4.318 4.340 0.099 0.000 0.236 354 R C 1.875 178.188 176.300 0.021 0.000 1.137 354 R CA 1.669 57.778 56.100 0.015 0.000 0.943 354 R CB -1.557 28.779 30.300 0.059 0.000 0.846 354 R HN 0.756 nan 8.270 nan 0.000 0.431 355 W N 2.463 123.738 121.300 -0.042 0.000 2.355 355 W HA -0.155 4.564 4.660 0.099 0.000 0.309 355 W C 1.880 178.367 176.519 -0.052 0.000 1.206 355 W CA 1.318 58.641 57.345 -0.036 0.000 1.284 355 W CB -0.051 29.414 29.460 0.008 0.000 1.145 355 W HN 0.072 nan 8.180 nan 0.000 0.502 356 E N 0.408 120.617 120.200 0.016 0.000 2.110 356 E HA -0.219 4.191 4.350 0.099 0.000 0.193 356 E C 2.161 178.541 176.600 -0.366 0.000 0.988 356 E CA 1.772 58.090 56.400 -0.138 0.000 0.804 356 E CB -0.662 29.199 29.700 0.269 0.000 0.745 356 E HN 0.461 nan 8.360 nan 0.000 0.458 357 I N 0.152 120.410 120.570 -0.521 0.000 2.361 357 I HA -0.160 4.070 4.170 0.099 0.000 0.251 357 I C 0.923 176.835 176.117 -0.342 0.000 1.133 357 I CA 0.986 61.894 61.300 -0.653 0.000 1.413 357 I CB -0.149 37.461 38.000 -0.650 0.000 1.073 357 I HN 0.127 nan 8.210 nan 0.000 0.424 358 G N 0.021 108.560 108.800 -0.435 0.000 3.251 358 G HA2 0.189 4.208 3.960 0.099 0.000 0.680 358 G HA3 0.189 4.208 3.960 0.099 0.000 0.680 358 G C 0.385 175.142 174.900 -0.239 0.000 1.129 358 G CA -0.345 44.420 45.100 -0.557 0.000 0.994 358 G HN 0.740 nan 8.290 nan 0.000 0.450 359 G N 2.321 111.000 108.800 -0.202 0.000 2.493 359 G HA2 -0.046 3.974 3.960 0.099 0.000 0.206 359 G HA3 -0.046 3.974 3.960 0.099 0.000 0.206 359 G C -1.035 173.838 174.900 -0.045 0.000 1.109 359 G CA 0.588 45.636 45.100 -0.087 0.000 0.689 359 G HN 1.403 nan 8.290 nan 0.000 0.516 360 P HA 0.404 nan 4.420 nan 0.000 0.272 360 P C -2.305 175.007 177.300 0.019 0.000 1.223 360 P CA -1.034 62.049 63.100 -0.029 0.000 0.784 360 P CB 0.474 32.144 31.700 -0.050 0.000 0.923 361 P HA 0.121 nan 4.420 nan 0.000 0.274 361 P C -0.153 177.198 177.300 0.086 0.000 1.237 361 P CA -0.320 62.853 63.100 0.121 0.000 0.793 361 P CB 0.596 32.319 31.700 0.038 0.000 0.977 362 M N 2.523 122.225 119.600 0.171 0.000 2.250 362 M HA 0.150 4.689 4.480 0.099 0.000 0.337 362 M C 0.162 176.471 176.300 0.016 0.000 1.161 362 M CA 0.448 55.812 55.300 0.106 0.000 1.088 362 M CB -0.193 32.486 32.600 0.132 0.000 1.639 362 M HN 0.303 nan 8.290 nan 0.000 0.447 363 I N 1.749 122.321 120.570 0.004 0.000 3.108 363 I HA 0.748 4.978 4.170 0.099 0.000 0.312 363 I C -1.513 174.615 176.117 0.018 0.000 1.095 363 I CA -1.016 60.271 61.300 -0.021 0.000 1.000 363 I CB 2.148 40.116 38.000 -0.053 0.000 1.229 363 I HN 0.769 nan 8.210 nan 0.000 0.454 364 C N 2.045 121.363 119.300 0.030 0.000 2.608 364 C HA 0.482 5.001 4.460 0.099 0.000 0.325 364 C C 1.344 176.366 174.990 0.054 0.000 1.147 364 C CA 0.050 59.090 59.018 0.036 0.000 1.359 364 C CB 1.391 29.156 27.740 0.042 0.000 1.912 364 C HN 0.989 nan 8.230 nan 0.000 0.466 365 T N 2.184 116.758 114.554 0.033 0.000 2.746 365 T HA -0.140 4.270 4.350 0.099 0.000 0.267 365 T C 1.687 176.488 174.700 0.168 0.000 1.039 365 T CA 1.593 63.730 62.100 0.061 0.000 1.142 365 T CB -0.048 68.777 68.868 -0.071 0.000 0.866 365 T HN 0.784 nan 8.240 nan 0.000 0.444 366 Q N 0.663 120.517 119.800 0.089 0.000 2.163 366 Q HA 0.102 4.501 4.340 0.099 0.000 0.198 366 Q C 0.902 176.897 176.000 -0.008 0.000 0.954 366 Q CA 0.672 56.485 55.803 0.018 0.000 0.851 366 Q CB -0.126 28.567 28.738 -0.076 0.000 0.928 366 Q HN 0.336 nan 8.270 nan 0.000 0.459 367 N N 0.172 118.887 118.700 0.025 0.000 2.707 367 N HA 0.249 5.049 4.740 0.099 0.000 0.235 367 N C -0.204 175.334 175.510 0.046 0.000 1.028 367 N CA -0.036 53.030 53.050 0.027 0.000 0.906 367 N CB 1.096 39.607 38.487 0.040 0.000 1.131 367 N HN -0.008 nan 8.380 nan 0.000 0.509 368 A N 1.974 124.807 122.820 0.021 0.000 2.248 368 A HA -0.077 4.303 4.320 0.099 0.000 0.210 368 A C 1.647 179.259 177.584 0.047 0.000 1.174 368 A CA 1.582 53.646 52.037 0.045 0.000 0.750 368 A CB -0.592 18.407 19.000 -0.001 0.000 0.780 368 A HN 0.695 nan 8.150 nan 0.000 0.478 369 T N -3.429 111.118 114.554 -0.011 0.000 3.086 369 T HA 0.511 4.920 4.350 0.099 0.000 0.250 369 T C 0.748 175.508 174.700 0.099 0.000 1.074 369 T CA 0.429 62.610 62.100 0.135 0.000 0.988 369 T CB -0.301 68.645 68.868 0.129 0.000 0.988 369 T HN 0.575 nan 8.240 nan 0.000 0.530 370 A N 0.628 123.497 122.820 0.082 0.000 2.491 370 A HA 0.564 4.943 4.320 0.099 0.000 0.261 370 A C 1.673 179.209 177.584 -0.080 0.000 1.101 370 A CA 0.218 52.306 52.037 0.085 0.000 0.772 370 A CB -1.096 17.968 19.000 0.106 0.000 1.043 370 A HN 1.418 nan 8.150 nan 0.000 0.501 371 G N 1.898 110.555 108.800 -0.238 0.000 2.217 371 G HA2 -0.197 3.823 3.960 0.099 0.000 0.246 371 G HA3 -0.197 3.823 3.960 0.099 0.000 0.246 371 G C 0.468 174.930 174.900 -0.730 0.000 0.990 371 G CA 0.517 45.123 45.100 -0.825 0.000 0.627 371 G HN 0.669 nan 8.290 nan 0.000 0.522 372 E N 0.261 120.242 120.200 -0.365 0.000 2.489 372 E HA 0.212 4.622 4.350 0.099 0.000 0.204 372 E C 1.896 178.369 176.600 -0.211 0.000 1.006 372 E CA 0.738 56.925 56.400 -0.355 0.000 0.936 372 E CB 0.069 29.620 29.700 -0.248 0.000 1.002 372 E HN 0.615 nan 8.360 nan 0.000 0.488 373 E N 0.573 120.740 120.200 -0.056 0.000 2.038 373 E HA -0.205 4.204 4.350 0.099 0.000 0.195 373 E C 1.798 178.444 176.600 0.077 0.000 1.000 373 E CA 1.426 57.865 56.400 0.065 0.000 0.803 373 E CB -0.360 29.412 29.700 0.120 0.000 0.750 373 E HN 0.337 nan 8.360 nan 0.000 0.448 374 Y N 1.506 121.774 120.300 -0.053 0.000 2.153 374 Y HA -0.124 4.485 4.550 0.099 0.000 0.289 374 Y C 2.411 178.265 175.900 -0.076 0.000 1.119 374 Y CA 1.903 59.987 58.100 -0.026 0.000 1.116 374 Y CB 0.044 38.516 38.460 0.020 0.000 1.004 374 Y HN -0.095 nan 8.280 nan 0.000 0.501 375 R N 0.170 120.589 120.500 -0.134 0.000 2.148 375 R HA -0.008 4.392 4.340 0.099 0.000 0.223 375 R C 1.569 177.708 176.300 -0.268 0.000 1.088 375 R CA 1.501 57.461 56.100 -0.233 0.000 0.985 375 R CB -0.359 29.861 30.300 -0.134 0.000 0.880 375 R HN 0.305 nan 8.270 nan 0.000 0.451 376 R N -0.064 120.205 120.500 -0.384 0.000 2.365 376 R HA 0.168 4.567 4.340 0.099 0.000 0.223 376 R C 0.406 176.524 176.300 -0.303 0.000 0.899 376 R CA 0.427 56.226 56.100 -0.500 0.000 1.059 376 R CB 1.100 30.646 30.300 -1.256 0.000 1.086 376 R HN 0.474 nan 8.270 nan 0.000 0.522 377 G N 1.454 110.154 108.800 -0.167 0.000 2.246 377 G HA2 -0.204 3.815 3.960 0.099 0.000 0.273 377 G HA3 -0.204 3.815 3.960 0.099 0.000 0.273 377 G C -0.771 174.282 174.900 0.255 0.000 1.055 377 G CA -0.121 45.000 45.100 0.035 0.000 0.851 377 G HN 0.211 nan 8.290 nan 0.000 0.500 378 W N 1.062 122.382 121.300 0.032 0.000 2.288 378 W HA 0.512 5.231 4.660 0.098 0.000 0.325 378 W C 0.502 177.035 176.519 0.024 0.000 1.019 378 W CA -1.764 55.606 57.345 0.041 0.000 1.403 378 W CB 0.160 29.657 29.460 0.062 0.000 1.226 378 W HN 0.280 nan 8.180 nan 0.000 0.391 379 H N 5.974 125.090 119.070 0.078 0.000 2.548 379 H HA 0.179 4.794 4.556 0.099 0.000 0.331 379 H C -1.381 173.836 175.328 -0.186 0.000 1.093 379 H CA -1.942 54.086 56.048 -0.034 0.000 1.367 379 H CB 1.858 31.576 29.762 -0.073 0.000 1.455 379 H HN 0.084 nan 8.280 nan 0.000 0.519 380 P HA -0.072 nan 4.420 nan 0.000 0.223 380 P C 0.343 177.555 177.300 -0.146 0.000 1.151 380 P CA 1.023 64.084 63.100 -0.066 0.000 0.787 380 P CB 0.658 32.334 31.700 -0.040 0.000 0.788 381 E N -0.665 119.471 120.200 -0.106 0.000 2.562 381 E HA 0.178 4.587 4.350 0.099 0.000 0.214 381 E C 0.190 176.562 176.600 -0.381 0.000 0.979 381 E CA 0.123 56.361 56.400 -0.270 0.000 1.002 381 E CB 0.854 30.221 29.700 -0.554 0.000 1.048 381 E HN 0.360 nan 8.360 nan 0.000 0.488 382 K N 0.625 120.662 120.400 -0.605 0.000 2.426 382 K HA 0.490 4.870 4.320 0.099 0.000 0.254 382 K C -1.046 175.191 176.600 -0.605 0.000 0.936 382 K CA -0.434 55.561 56.287 -0.487 0.000 0.801 382 K CB 1.573 33.769 32.500 -0.507 0.000 1.139 382 K HN -0.205 nan 8.250 nan 0.000 0.424 383 F N 0.987 120.905 119.950 -0.054 0.000 2.540 383 F HA 0.417 5.004 4.527 0.099 0.000 0.317 383 F C 0.434 176.213 175.800 -0.035 0.000 1.104 383 F CA -1.079 56.894 58.000 -0.044 0.000 0.913 383 F CB 1.655 40.617 39.000 -0.065 0.000 1.170 383 F HN 0.308 nan 8.300 nan 0.000 0.450 384 R N 2.452 123.038 120.500 0.144 0.000 2.502 384 R HA 0.066 4.466 4.340 0.099 0.000 0.292 384 R C -0.483 175.865 176.300 0.080 0.000 0.998 384 R CA -0.216 55.940 56.100 0.092 0.000 1.056 384 R CB 0.407 30.760 30.300 0.088 0.000 0.939 384 R HN 0.503 nan 8.270 nan 0.000 0.411 385 Q N 2.336 122.150 119.800 0.024 0.000 2.286 385 Q HA 0.063 4.462 4.340 0.099 0.000 0.257 385 Q C -0.008 175.926 176.000 -0.110 0.000 0.941 385 Q CA 0.049 55.824 55.803 -0.047 0.000 0.912 385 Q CB 1.680 30.387 28.738 -0.050 0.000 1.192 385 Q HN 0.662 nan 8.270 nan 0.000 0.410 386 T N 1.466 115.847 114.554 -0.289 0.000 2.932 386 T HA 0.040 4.450 4.350 0.099 0.000 0.312 386 T C 0.779 175.352 174.700 -0.212 0.000 1.071 386 T CA -0.005 61.865 62.100 -0.382 0.000 1.128 386 T CB 0.296 68.536 68.868 -1.047 0.000 0.984 386 T HN 0.534 nan 8.240 nan 0.000 0.549 387 K N 2.303 122.630 120.400 -0.120 0.000 2.440 387 K HA 0.218 4.597 4.320 0.099 0.000 0.206 387 K C 0.026 176.587 176.600 -0.064 0.000 1.025 387 K CA -0.606 55.636 56.287 -0.076 0.000 1.135 387 K CB -0.126 32.353 32.500 -0.034 0.000 0.856 387 K HN 0.610 nan 8.250 nan 0.000 0.502 388 N N 0.045 118.691 118.700 -0.090 0.000 3.038 388 N HA 0.222 5.021 4.740 0.099 0.000 0.307 388 N C -0.507 174.963 175.510 -0.067 0.000 1.441 388 N CA -1.078 51.946 53.050 -0.044 0.000 0.772 388 N CB 0.778 39.275 38.487 0.017 0.000 1.651 388 N HN -0.254 nan 8.380 nan 0.000 0.593 389 K N -0.776 119.612 120.400 -0.020 0.000 2.498 389 K HA 0.310 4.689 4.320 0.099 0.000 0.207 389 K C -1.039 175.584 176.600 0.039 0.000 1.033 389 K CA -0.341 55.939 56.287 -0.011 0.000 1.138 389 K CB -0.244 32.252 32.500 -0.007 0.000 0.860 389 K HN 0.475 nan 8.250 nan 0.000 0.490 390 D N 0.907 121.365 120.400 0.096 0.000 2.449 390 D HA -0.001 4.699 4.640 0.099 0.000 0.236 390 D C 0.127 176.534 176.300 0.178 0.000 1.149 390 D CA 0.439 54.529 54.000 0.150 0.000 0.878 390 D CB 0.854 41.788 40.800 0.224 0.000 1.198 390 D HN 0.199 nan 8.370 nan 0.000 0.446 391 S N -0.458 115.301 115.700 0.098 0.000 2.566 391 S HA 0.780 5.309 4.470 0.099 0.000 0.298 391 S C -0.760 173.855 174.600 0.024 0.000 1.083 391 S CA -0.885 57.355 58.200 0.068 0.000 0.978 391 S CB 1.751 64.952 63.200 0.002 0.000 1.073 391 S HN 0.143 nan 8.310 nan 0.000 0.491 392 V N 2.229 122.148 119.914 0.009 0.000 2.577 392 V HA 0.511 4.690 4.120 0.099 0.000 0.303 392 V C -0.880 175.188 176.094 -0.043 0.000 1.042 392 V CA -0.729 61.547 62.300 -0.039 0.000 0.872 392 V CB 1.475 33.251 31.823 -0.079 0.000 0.998 392 V HN 0.931 nan 8.190 nan 0.000 0.423 393 L N 6.456 127.621 121.223 -0.097 0.000 2.292 393 L HA 0.679 5.078 4.340 0.099 0.000 0.284 393 L C -0.620 176.161 176.870 -0.147 0.000 1.065 393 L CA 0.374 55.109 54.840 -0.174 0.000 0.806 393 L CB 0.857 42.711 42.059 -0.341 0.000 1.175 393 L HN 0.567 nan 8.230 nan 0.000 0.431 394 I N 5.837 126.332 120.570 -0.124 0.000 2.418 394 I HA 0.334 4.563 4.170 0.099 0.000 0.287 394 I C -0.831 175.228 176.117 -0.097 0.000 1.008 394 I CA -0.879 60.367 61.300 -0.091 0.000 1.104 394 I CB 1.894 39.857 38.000 -0.061 0.000 1.264 394 I HN 0.256 nan 8.210 nan 0.000 0.438 395 V N 5.544 125.409 119.914 -0.082 0.000 2.318 395 V HA 0.781 4.961 4.120 0.099 0.000 0.271 395 V C 0.489 176.565 176.094 -0.030 0.000 1.030 395 V CA -0.353 61.908 62.300 -0.065 0.000 0.844 395 V CB 0.484 32.272 31.823 -0.057 0.000 1.015 395 V HN 1.065 nan 8.190 nan 0.000 0.460 396 G N 4.067 112.854 108.800 -0.021 0.000 3.226 396 G HA2 0.347 4.366 3.960 0.099 0.000 0.685 396 G HA3 0.347 4.366 3.960 0.099 0.000 0.685 396 G C -0.252 174.652 174.900 0.007 0.000 1.207 396 G CA -0.239 44.861 45.100 0.001 0.000 0.877 396 G HN 1.398 nan 8.290 nan 0.000 0.585 397 A N 1.443 124.276 122.820 0.021 0.000 2.676 397 A HA 0.796 5.175 4.320 0.099 0.000 0.297 397 A C 1.329 178.946 177.584 0.056 0.000 1.132 397 A CA 1.120 53.173 52.037 0.028 0.000 0.972 397 A CB -0.099 18.911 19.000 0.016 0.000 1.197 397 A HN 2.149 nan 8.150 nan 0.000 0.524 398 G N 0.139 108.983 108.800 0.074 0.000 2.553 398 G HA2 0.410 4.430 3.960 0.099 0.000 0.278 398 G HA3 0.410 4.430 3.960 0.099 0.000 0.278 398 G C -1.067 173.910 174.900 0.128 0.000 1.349 398 G CA -0.878 44.286 45.100 0.108 0.000 1.037 398 G HN 0.087 nan 8.290 nan 0.000 0.508 399 P HA -0.193 nan 4.420 nan 0.000 0.216 399 P C 2.242 179.657 177.300 0.192 0.000 1.154 399 P CA 2.503 65.743 63.100 0.233 0.000 0.865 399 P CB -0.031 31.728 31.700 0.099 0.000 0.789 400 S N -1.183 114.594 115.700 0.127 0.000 2.362 400 S HA -0.006 4.523 4.470 0.099 0.000 0.221 400 S C 2.367 176.996 174.600 0.047 0.000 1.032 400 S CA 1.206 59.457 58.200 0.085 0.000 0.973 400 S CB -1.892 61.339 63.200 0.051 0.000 0.849 400 S HN 0.204 nan 8.310 nan 0.000 0.465 401 G N 1.868 110.690 108.800 0.037 0.000 2.408 401 G HA2 -0.129 3.891 3.960 0.099 0.000 0.217 401 G HA3 -0.129 3.891 3.960 0.099 0.000 0.217 401 G C 1.787 176.689 174.900 0.004 0.000 1.150 401 G CA 1.215 46.319 45.100 0.007 0.000 0.776 401 G HN 0.751 nan 8.290 nan 0.000 0.542 402 S N 0.812 116.532 115.700 0.033 0.000 2.368 402 S HA -0.101 4.428 4.470 0.099 0.000 0.224 402 S C 2.060 176.665 174.600 0.009 0.000 1.029 402 S CA 1.740 59.953 58.200 0.023 0.000 0.988 402 S CB -0.248 62.982 63.200 0.050 0.000 0.838 402 S HN 0.354 nan 8.310 nan 0.000 0.462 403 E N 2.420 122.649 120.200 0.048 0.000 2.051 403 E HA 0.014 4.424 4.350 0.099 0.000 0.192 403 E C 2.117 178.686 176.600 -0.051 0.000 0.991 403 E CA 1.423 57.847 56.400 0.039 0.000 0.799 403 E CB -0.929 28.843 29.700 0.119 0.000 0.748 403 E HN 0.574 nan 8.360 nan 0.000 0.449 404 A N 0.951 123.734 122.820 -0.062 0.000 1.892 404 A HA -0.168 4.211 4.320 0.099 0.000 0.218 404 A C 2.483 179.984 177.584 -0.137 0.000 1.188 404 A CA 2.526 54.488 52.037 -0.124 0.000 0.631 404 A CB -1.240 17.702 19.000 -0.096 0.000 0.822 404 A HN 0.414 nan 8.150 nan 0.000 0.447 405 A N -0.550 122.213 122.820 -0.096 0.000 1.877 405 A HA -0.192 4.187 4.320 0.099 0.000 0.216 405 A C 2.283 179.789 177.584 -0.129 0.000 1.186 405 A CA 1.866 53.846 52.037 -0.095 0.000 0.620 405 A CB -0.525 18.434 19.000 -0.067 0.000 0.822 405 A HN 0.578 nan 8.150 nan 0.000 0.443 406 R N -0.451 119.966 120.500 -0.137 0.000 2.073 406 R HA -0.090 4.309 4.340 0.099 0.000 0.234 406 R C 1.921 178.045 176.300 -0.293 0.000 1.134 406 R CA 1.840 57.829 56.100 -0.184 0.000 0.952 406 R CB -0.365 29.847 30.300 -0.146 0.000 0.850 406 R HN 0.313 nan 8.270 nan 0.000 0.433 407 V N 1.290 121.013 119.914 -0.317 0.000 2.453 407 V HA -0.201 3.978 4.120 0.099 0.000 0.247 407 V C 2.340 178.193 176.094 -0.401 0.000 1.048 407 V CA 1.426 63.426 62.300 -0.501 0.000 1.049 407 V CB -0.328 31.173 31.823 -0.537 0.000 0.672 407 V HN 0.319 nan 8.190 nan 0.000 0.457 408 L N -1.042 120.032 121.223 -0.249 0.000 2.083 408 L HA -0.195 4.204 4.340 0.099 0.000 0.209 408 L C 2.504 179.371 176.870 -0.005 0.000 1.083 408 L CA 1.674 56.452 54.840 -0.103 0.000 0.752 408 L CB -0.416 41.550 42.059 -0.156 0.000 0.899 408 L HN 0.308 nan 8.230 nan 0.000 0.433 409 M N -1.168 118.368 119.600 -0.107 0.000 2.132 409 M HA -0.149 4.390 4.480 0.099 0.000 0.263 409 M C 2.145 178.340 176.300 -0.175 0.000 1.065 409 M CA 1.312 56.553 55.300 -0.098 0.000 1.122 409 M CB -0.361 32.177 32.600 -0.104 0.000 1.365 409 M HN 0.120 nan 8.290 nan 0.000 0.411 410 E N 0.348 120.342 120.200 -0.343 0.000 2.160 410 E HA -0.127 4.282 4.350 0.099 0.000 0.195 410 E C 1.836 178.244 176.600 -0.320 0.000 0.991 410 E CA 1.242 57.349 56.400 -0.488 0.000 0.810 410 E CB -0.236 28.756 29.700 -1.180 0.000 0.742 410 E HN 0.409 nan 8.360 nan 0.000 0.466 411 S N -1.093 114.477 115.700 -0.217 0.000 2.593 411 S HA 0.198 4.728 4.470 0.099 0.000 0.217 411 S C 1.334 175.863 174.600 -0.119 0.000 0.966 411 S CA 0.568 58.743 58.200 -0.042 0.000 0.914 411 S CB 0.753 64.034 63.200 0.135 0.000 0.776 411 S HN 0.462 nan 8.310 nan 0.000 0.523 412 G N 0.400 109.126 108.800 -0.123 0.000 2.175 412 G HA2 -0.260 3.759 3.960 0.099 0.000 0.244 412 G HA3 -0.260 3.759 3.960 0.099 0.000 0.244 412 G C -0.053 174.717 174.900 -0.217 0.000 0.982 412 G CA -0.392 44.601 45.100 -0.179 0.000 0.641 412 G HN 0.478 nan 8.290 nan 0.000 0.527 413 Y N 1.214 121.475 120.300 -0.064 0.000 2.357 413 Y HA 0.473 5.083 4.550 0.099 0.000 0.340 413 Y C 1.564 177.446 175.900 -0.031 0.000 1.260 413 Y CA 0.746 58.820 58.100 -0.044 0.000 1.425 413 Y CB 0.660 39.090 38.460 -0.050 0.000 1.326 413 Y HN 0.030 nan 8.280 nan 0.000 0.580 414 T N 2.762 117.409 114.554 0.154 0.000 2.794 414 T HA 0.422 4.831 4.350 0.099 0.000 0.296 414 T C -0.735 174.050 174.700 0.142 0.000 0.949 414 T CA -0.366 61.807 62.100 0.121 0.000 1.101 414 T CB -0.002 68.920 68.868 0.091 0.000 0.905 414 T HN 0.300 nan 8.240 nan 0.000 0.516 415 V N 4.798 124.801 119.914 0.148 0.000 2.638 415 V HA 0.326 4.505 4.120 0.099 0.000 0.306 415 V C -0.456 175.782 176.094 0.239 0.000 1.052 415 V CA -0.919 61.456 62.300 0.126 0.000 0.885 415 V CB 1.782 33.633 31.823 0.046 0.000 0.999 415 V HN 0.893 nan 8.190 nan 0.000 0.424 416 H N 4.586 123.657 119.070 0.003 0.000 2.504 416 H HA 0.484 5.099 4.556 0.099 0.000 0.322 416 H C -1.013 174.272 175.328 -0.072 0.000 1.055 416 H CA -0.735 55.312 56.048 -0.001 0.000 1.231 416 H CB 2.213 32.019 29.762 0.073 0.000 1.417 416 H HN 0.367 nan 8.280 nan 0.000 0.472 417 L N 3.422 124.640 121.223 -0.007 0.000 2.322 417 L HA 0.377 4.776 4.340 0.099 0.000 0.281 417 L C -0.248 176.593 176.870 -0.048 0.000 1.014 417 L CA -0.098 54.718 54.840 -0.039 0.000 0.815 417 L CB 1.895 43.931 42.059 -0.038 0.000 1.247 417 L HN 0.546 nan 8.230 nan 0.000 0.421 418 T N 3.548 118.068 114.554 -0.056 0.000 2.909 418 T HA 0.614 5.024 4.350 0.099 0.000 0.299 418 T C -1.847 172.837 174.700 -0.028 0.000 1.073 418 T CA -0.437 61.638 62.100 -0.043 0.000 0.999 418 T CB 1.047 69.880 68.868 -0.059 0.000 1.098 418 T HN 0.769 nan 8.240 nan 0.000 0.477 419 D N 0.517 120.911 120.400 -0.010 0.000 2.655 419 D HA 0.262 4.961 4.640 0.099 0.000 0.229 419 D C 1.224 177.530 176.300 0.010 0.000 1.229 419 D CA -0.190 53.812 54.000 0.002 0.000 0.807 419 D CB 2.325 43.131 40.800 0.008 0.000 1.514 419 D HN 0.616 nan 8.370 nan 0.000 0.444 420 T N -0.583 113.980 114.554 0.016 0.000 2.951 420 T HA 0.195 4.604 4.350 0.099 0.000 0.268 420 T C 1.121 175.834 174.700 0.022 0.000 1.073 420 T CA 0.660 62.772 62.100 0.020 0.000 1.134 420 T CB -0.041 68.841 68.868 0.024 0.000 0.884 420 T HN 0.449 nan 8.240 nan 0.000 0.479 421 A N 1.483 124.317 122.820 0.023 0.000 2.425 421 A HA 0.262 4.641 4.320 0.099 0.000 0.242 421 A C 1.305 178.902 177.584 0.021 0.000 1.077 421 A CA -0.377 51.675 52.037 0.026 0.000 0.781 421 A CB 0.252 19.271 19.000 0.032 0.000 1.020 421 A HN 0.466 nan 8.150 nan 0.000 0.494 422 E N 0.381 120.594 120.200 0.021 0.000 2.204 422 E HA -0.101 4.308 4.350 0.099 0.000 0.194 422 E C 0.420 177.030 176.600 0.017 0.000 0.989 422 E CA 1.292 57.703 56.400 0.017 0.000 0.824 422 E CB -0.020 29.690 29.700 0.017 0.000 0.756 422 E HN 0.707 nan 8.360 nan 0.000 0.477 423 K N -0.008 120.405 120.400 0.021 0.000 2.509 423 K HA 0.377 4.756 4.320 0.099 0.000 0.266 423 K C -0.558 176.057 176.600 0.026 0.000 0.987 423 K CA -0.809 55.491 56.287 0.022 0.000 0.868 423 K CB 1.405 33.919 32.500 0.024 0.000 1.421 423 K HN -0.202 nan 8.250 nan 0.000 0.444 424 I N 0.737 121.323 120.570 0.026 0.000 2.872 424 I HA 0.064 4.293 4.170 0.099 0.000 0.291 424 I C 1.184 177.332 176.117 0.050 0.000 1.216 424 I CA 2.042 63.363 61.300 0.035 0.000 1.424 424 I CB 0.588 38.605 38.000 0.029 0.000 1.351 424 I HN 1.106 nan 8.210 nan 0.000 0.592 425 G N 2.876 111.713 108.800 0.061 0.000 2.260 425 G HA2 0.025 4.044 3.960 0.099 0.000 0.179 425 G HA3 0.025 4.044 3.960 0.099 0.000 0.179 425 G C 0.664 175.586 174.900 0.037 0.000 1.002 425 G CA -0.142 44.998 45.100 0.066 0.000 0.677 425 G HN 1.427 nan 8.290 nan 0.000 0.486 426 G N 1.088 109.921 108.800 0.055 0.000 2.596 426 G HA2 -0.263 3.757 3.960 0.099 0.000 0.295 426 G HA3 -0.263 3.757 3.960 0.099 0.000 0.295 426 G C 1.014 175.967 174.900 0.090 0.000 1.240 426 G CA 1.748 46.901 45.100 0.089 0.000 0.985 426 G HN 2.005 nan 8.290 nan 0.000 0.555 427 H N 0.780 119.882 119.070 0.054 0.000 2.521 427 H HA 0.101 4.717 4.556 0.099 0.000 0.286 427 H C 2.591 177.972 175.328 0.088 0.000 1.034 427 H CA 1.682 57.775 56.048 0.075 0.000 1.278 427 H CB -0.233 29.583 29.762 0.089 0.000 1.386 427 H HN 0.537 nan 8.280 nan 0.000 0.567 428 L N 1.792 122.688 121.223 -0.545 0.000 2.191 428 L HA -0.138 4.261 4.340 0.099 0.000 0.212 428 L C 1.748 178.549 176.870 -0.115 0.000 1.103 428 L CA 1.175 55.796 54.840 -0.364 0.000 0.769 428 L CB -0.759 41.134 42.059 -0.276 0.000 0.908 428 L HN 0.135 nan 8.230 nan 0.000 0.438 429 N N -0.290 118.376 118.700 -0.056 0.000 2.043 429 N HA -0.221 4.578 4.740 0.099 0.000 0.193 429 N C 1.784 177.284 175.510 -0.018 0.000 1.037 429 N CA 1.760 54.801 53.050 -0.014 0.000 0.851 429 N CB -0.290 38.203 38.487 0.010 0.000 1.027 429 N HN 0.566 nan 8.380 nan 0.000 0.422 430 Q N 0.287 120.088 119.800 0.001 0.000 2.119 430 Q HA -0.014 4.386 4.340 0.099 0.000 0.201 430 Q C 2.193 178.176 176.000 -0.027 0.000 0.972 430 Q CA 0.787 56.590 55.803 0.000 0.000 0.847 430 Q CB -0.003 28.758 28.738 0.038 0.000 0.903 430 Q HN 0.122 nan 8.270 nan 0.000 0.433 431 V N 1.165 121.071 119.914 -0.013 0.000 2.287 431 V HA -0.305 3.875 4.120 0.099 0.000 0.248 431 V C 2.222 178.183 176.094 -0.220 0.000 1.053 431 V CA 1.970 64.229 62.300 -0.068 0.000 1.027 431 V CB -0.910 30.921 31.823 0.014 0.000 0.646 431 V HN 0.417 nan 8.190 nan 0.000 0.447 432 A N -0.432 122.292 122.820 -0.160 0.000 2.121 432 A HA 0.074 4.453 4.320 0.099 0.000 0.218 432 A C 2.193 179.661 177.584 -0.193 0.000 1.154 432 A CA 1.487 53.408 52.037 -0.192 0.000 0.679 432 A CB -0.489 18.470 19.000 -0.069 0.000 0.795 432 A HN 0.591 nan 8.150 nan 0.000 0.458 433 A N -0.667 122.067 122.820 -0.144 0.000 2.208 433 A HA 0.402 4.782 4.320 0.099 0.000 0.209 433 A C 0.898 178.386 177.584 -0.159 0.000 1.161 433 A CA -0.174 51.788 52.037 -0.125 0.000 0.782 433 A CB -0.377 18.578 19.000 -0.075 0.000 0.816 433 A HN 0.448 nan 8.150 nan 0.000 0.477 434 L N 0.513 121.606 121.223 -0.217 0.000 2.467 434 L HA 0.175 4.575 4.340 0.099 0.000 0.270 434 L C -2.160 174.554 176.870 -0.260 0.000 1.205 434 L CA -1.807 52.895 54.840 -0.231 0.000 0.828 434 L CB 0.033 41.933 42.059 -0.265 0.000 1.101 434 L HN 0.029 nan 8.230 nan 0.000 0.479 435 P HA 0.018 nan 4.420 nan 0.000 0.261 435 P C 0.705 177.825 177.300 -0.299 0.000 1.183 435 P CA 0.957 63.931 63.100 -0.210 0.000 0.761 435 P CB 0.629 32.232 31.700 -0.161 0.000 0.785 436 G N 2.906 111.530 108.800 -0.293 0.000 2.253 436 G HA2 -0.274 3.745 3.960 0.099 0.000 0.251 436 G HA3 -0.274 3.745 3.960 0.099 0.000 0.251 436 G C 0.583 175.213 174.900 -0.449 0.000 0.998 436 G CA -0.035 44.845 45.100 -0.368 0.000 0.621 436 G HN 0.509 nan 8.290 nan 0.000 0.524 437 L N 1.744 122.647 121.223 -0.533 0.000 2.653 437 L HA 0.303 4.702 4.340 0.099 0.000 0.232 437 L C 2.562 179.148 176.870 -0.474 0.000 1.169 437 L CA 0.556 54.925 54.840 -0.785 0.000 0.951 437 L CB -0.283 41.069 42.059 -1.179 0.000 1.181 437 L HN 0.301 nan 8.230 nan 0.000 0.460 438 G N 0.255 108.878 108.800 -0.296 0.000 2.450 438 G HA2 -0.229 3.790 3.960 0.099 0.000 0.220 438 G HA3 -0.229 3.790 3.960 0.099 0.000 0.220 438 G C 1.327 176.102 174.900 -0.209 0.000 1.130 438 G CA 0.389 45.374 45.100 -0.192 0.000 0.760 438 G HN 0.449 nan 8.290 nan 0.000 0.557 439 E N -0.552 119.502 120.200 -0.244 0.000 2.427 439 E HA -0.062 4.347 4.350 0.099 0.000 0.196 439 E C 1.907 178.244 176.600 -0.437 0.000 1.028 439 E CA 0.045 56.095 56.400 -0.584 0.000 0.864 439 E CB -0.083 29.356 29.700 -0.434 0.000 0.813 439 E HN 0.609 nan 8.360 nan 0.000 0.514 440 W N 1.087 122.155 121.300 -0.388 0.000 2.468 440 W HA -0.075 4.644 4.660 0.099 0.000 0.262 440 W C 2.373 178.794 176.519 -0.164 0.000 1.241 440 W CA 0.346 57.542 57.345 -0.248 0.000 1.232 440 W CB -0.762 28.547 29.460 -0.252 0.000 1.124 440 W HN -0.020 nan 8.180 nan 0.000 0.597 441 S N -0.450 115.260 115.700 0.017 0.000 2.400 441 S HA -0.274 4.255 4.470 0.099 0.000 0.234 441 S C 1.587 176.311 174.600 0.207 0.000 1.049 441 S CA 1.759 60.000 58.200 0.068 0.000 1.039 441 S CB -0.568 62.660 63.200 0.046 0.000 0.856 441 S HN 0.265 nan 8.310 nan 0.000 0.465 442 Y N 0.689 121.079 120.300 0.151 0.000 2.403 442 Y HA -0.091 4.518 4.550 0.099 0.000 0.291 442 Y C 2.389 178.388 175.900 0.166 0.000 1.143 442 Y CA 0.600 58.784 58.100 0.140 0.000 1.257 442 Y CB -1.233 37.293 38.460 0.110 0.000 0.984 442 Y HN 0.484 nan 8.280 nan 0.000 0.550 443 H N 1.686 120.881 119.070 0.208 0.000 2.321 443 H HA -0.148 4.467 4.556 0.099 0.000 0.300 443 H C 2.031 177.472 175.328 0.188 0.000 1.087 443 H CA 2.188 58.331 56.048 0.159 0.000 1.319 443 H CB 0.344 30.141 29.762 0.058 0.000 1.379 443 H HN 0.345 nan 8.280 nan 0.000 0.501 444 R N 0.643 121.342 120.500 0.331 0.000 2.153 444 R HA -0.013 4.386 4.340 0.099 0.000 0.218 444 R C 1.618 178.015 176.300 0.161 0.000 1.072 444 R CA 1.343 57.576 56.100 0.221 0.000 0.990 444 R CB -0.360 30.041 30.300 0.169 0.000 0.889 444 R HN 0.220 nan 8.270 nan 0.000 0.452 445 D N 0.446 120.965 120.400 0.198 0.000 2.097 445 D HA -0.195 4.504 4.640 0.099 0.000 0.195 445 D C 1.657 178.048 176.300 0.151 0.000 0.989 445 D CA 1.432 55.534 54.000 0.170 0.000 0.827 445 D CB -0.551 40.382 40.800 0.222 0.000 0.966 445 D HN 0.314 nan 8.370 nan 0.000 0.456 446 Y N 1.772 122.109 120.300 0.062 0.000 2.114 446 Y HA -0.265 4.344 4.550 0.099 0.000 0.282 446 Y C 2.446 178.344 175.900 -0.003 0.000 1.165 446 Y CA 1.855 59.965 58.100 0.018 0.000 1.148 446 Y CB 0.020 38.477 38.460 -0.006 0.000 0.972 446 Y HN -0.173 nan 8.280 nan 0.000 0.504 447 R N 0.146 120.595 120.500 -0.085 0.000 2.075 447 R HA -0.170 4.229 4.340 0.099 0.000 0.232 447 R C 2.386 178.610 176.300 -0.127 0.000 1.126 447 R CA 1.607 57.607 56.100 -0.167 0.000 0.963 447 R CB -0.369 29.919 30.300 -0.019 0.000 0.858 447 R HN 0.504 nan 8.270 nan 0.000 0.435 448 E N -0.114 120.059 120.200 -0.044 0.000 2.058 448 E HA -0.200 4.209 4.350 0.099 0.000 0.194 448 E C 1.462 178.021 176.600 -0.068 0.000 0.997 448 E CA 1.909 58.288 56.400 -0.035 0.000 0.801 448 E CB 0.094 29.799 29.700 0.009 0.000 0.746 448 E HN 0.238 nan 8.360 nan 0.000 0.450 449 T N 0.996 115.504 114.554 -0.077 0.000 2.708 449 T HA -0.162 4.247 4.350 0.099 0.000 0.266 449 T C 1.826 176.442 174.700 -0.141 0.000 1.037 449 T CA 1.231 63.282 62.100 -0.082 0.000 1.146 449 T CB -0.143 68.693 68.868 -0.052 0.000 0.865 449 T HN 0.164 nan 8.240 nan 0.000 0.435 450 Q N 0.337 119.978 119.800 -0.265 0.000 2.079 450 Q HA 0.085 4.484 4.340 0.099 0.000 0.200 450 Q C 2.480 178.365 176.000 -0.192 0.000 0.974 450 Q CA 1.062 56.691 55.803 -0.290 0.000 0.840 450 Q CB -0.502 27.923 28.738 -0.521 0.000 0.898 450 Q HN 0.537 nan 8.270 nan 0.000 0.430 451 I N 0.473 120.940 120.570 -0.172 0.000 2.226 451 I HA -0.263 3.967 4.170 0.099 0.000 0.245 451 I C 2.155 178.218 176.117 -0.090 0.000 1.100 451 I CA 1.239 62.467 61.300 -0.120 0.000 1.374 451 I CB -0.310 37.633 38.000 -0.095 0.000 1.057 451 I HN 0.159 nan 8.210 nan 0.000 0.413 452 T N 0.335 114.842 114.554 -0.078 0.000 2.746 452 T HA -0.247 4.162 4.350 0.099 0.000 0.267 452 T C 1.942 176.610 174.700 -0.054 0.000 1.039 452 T CA 1.440 63.506 62.100 -0.056 0.000 1.142 452 T CB -0.180 68.664 68.868 -0.041 0.000 0.866 452 T HN 0.296 nan 8.240 nan 0.000 0.444 453 K N 0.629 120.991 120.400 -0.063 0.000 2.057 453 K HA -0.017 4.362 4.320 0.099 0.000 0.207 453 K C 2.207 178.771 176.600 -0.059 0.000 1.049 453 K CA 1.136 57.390 56.287 -0.055 0.000 0.931 453 K CB -0.265 32.199 32.500 -0.061 0.000 0.714 453 K HN 0.293 nan 8.250 nan 0.000 0.440 454 L N 0.935 122.111 121.223 -0.078 0.000 2.156 454 L HA -0.140 4.260 4.340 0.099 0.000 0.208 454 L C 2.281 179.114 176.870 -0.062 0.000 1.095 454 L CA 0.584 55.375 54.840 -0.081 0.000 0.770 454 L CB -0.242 41.751 42.059 -0.110 0.000 0.914 454 L HN 0.221 nan 8.230 nan 0.000 0.439 455 L N -0.246 120.943 121.223 -0.056 0.000 2.042 455 L HA -0.258 4.141 4.340 0.099 0.000 0.210 455 L C 2.498 179.347 176.870 -0.034 0.000 1.076 455 L CA 1.442 56.256 54.840 -0.044 0.000 0.749 455 L CB -0.510 41.521 42.059 -0.046 0.000 0.893 455 L HN 0.209 nan 8.230 nan 0.000 0.432 456 K N 0.248 120.628 120.400 -0.034 0.000 2.281 456 K HA -0.207 4.172 4.320 0.099 0.000 0.203 456 K C 2.312 178.898 176.600 -0.025 0.000 1.046 456 K CA 1.734 58.006 56.287 -0.026 0.000 0.938 456 K CB -0.185 32.301 32.500 -0.023 0.000 0.737 456 K HN 0.383 nan 8.250 nan 0.000 0.458 457 K N 0.544 120.926 120.400 -0.031 0.000 2.365 457 K HA 0.071 4.450 4.320 0.099 0.000 0.195 457 K C 0.551 177.133 176.600 -0.030 0.000 1.079 457 K CA 0.193 56.462 56.287 -0.030 0.000 0.979 457 K CB 0.074 32.552 32.500 -0.037 0.000 0.929 457 K HN 0.012 nan 8.250 nan 0.000 0.523 458 N N 0.872 119.554 118.700 -0.029 0.000 2.444 458 N HA 0.261 5.060 4.740 0.099 0.000 0.262 458 N C 0.719 176.225 175.510 -0.006 0.000 0.974 458 N CA 0.564 53.605 53.050 -0.017 0.000 0.933 458 N CB 1.767 40.248 38.487 -0.010 0.000 1.137 458 N HN 0.293 nan 8.380 nan 0.000 0.498 459 K N 2.278 122.678 120.400 -0.001 0.000 2.296 459 K HA -0.013 4.366 4.320 0.099 0.000 0.200 459 K C 1.628 178.242 176.600 0.022 0.000 1.048 459 K CA 1.657 57.946 56.287 0.004 0.000 0.966 459 K CB -0.969 31.531 32.500 0.000 0.000 0.754 459 K HN 0.733 nan 8.250 nan 0.000 0.466 460 E N 0.632 120.856 120.200 0.041 0.000 2.385 460 E HA 0.190 4.599 4.350 0.099 0.000 0.194 460 E C 1.276 177.969 176.600 0.155 0.000 1.013 460 E CA 0.373 56.826 56.400 0.090 0.000 0.866 460 E CB -0.235 29.511 29.700 0.077 0.000 0.832 460 E HN 0.550 nan 8.360 nan 0.000 0.500 461 S N 0.140 115.896 115.700 0.093 0.000 2.584 461 S HA 0.417 4.946 4.470 0.099 0.000 0.270 461 S C 0.137 174.704 174.600 -0.055 0.000 1.346 461 S CA -0.153 58.094 58.200 0.078 0.000 1.018 461 S CB 0.969 64.188 63.200 0.031 0.000 0.899 461 S HN 0.608 nan 8.310 nan 0.000 0.542 462 Q N 0.683 120.379 119.800 -0.173 0.000 2.386 462 Q HA 0.567 4.967 4.340 0.099 0.000 0.274 462 Q C -2.204 173.669 176.000 -0.211 0.000 1.011 462 Q CA -0.719 54.901 55.803 -0.305 0.000 0.867 462 Q CB 1.252 29.537 28.738 -0.755 0.000 1.409 462 Q HN 0.503 nan 8.270 nan 0.000 0.395 463 L N 2.728 123.868 121.223 -0.139 0.000 2.325 463 L HA 0.918 5.317 4.340 0.099 0.000 0.281 463 L C -1.687 175.140 176.870 -0.072 0.000 1.004 463 L CA -0.115 54.672 54.840 -0.089 0.000 0.823 463 L CB 1.682 43.704 42.059 -0.061 0.000 1.236 463 L HN 0.660 nan 8.230 nan 0.000 0.415 464 A N 6.636 129.425 122.820 -0.052 0.000 2.340 464 A HA 0.746 5.125 4.320 0.099 0.000 0.297 464 A C -1.185 176.393 177.584 -0.011 0.000 1.195 464 A CA -0.458 51.564 52.037 -0.024 0.000 0.769 464 A CB 0.472 19.470 19.000 -0.003 0.000 1.163 464 A HN 0.714 nan 8.150 nan 0.000 0.472 465 L N 1.196 122.415 121.223 -0.006 0.000 2.304 465 L HA 0.738 5.138 4.340 0.099 0.000 0.268 465 L C 1.362 178.237 176.870 0.008 0.000 1.010 465 L CA -0.336 54.505 54.840 0.002 0.000 0.813 465 L CB 1.455 43.515 42.059 0.002 0.000 1.315 465 L HN 1.128 nan 8.230 nan 0.000 0.445 466 G N 0.838 109.645 108.800 0.012 0.000 2.356 466 G HA2 -0.200 3.819 3.960 0.099 0.000 0.296 466 G HA3 -0.200 3.819 3.960 0.099 0.000 0.296 466 G C 0.088 174.998 174.900 0.017 0.000 1.022 466 G CA -0.077 45.033 45.100 0.015 0.000 0.961 466 G HN 0.442 nan 8.290 nan 0.000 0.510 467 Q N -0.313 119.499 119.800 0.019 0.000 2.212 467 Q HA 0.375 4.774 4.340 0.099 0.000 0.238 467 Q C 0.905 176.920 176.000 0.026 0.000 0.955 467 Q CA -0.401 55.417 55.803 0.024 0.000 0.906 467 Q CB 0.924 29.679 28.738 0.027 0.000 1.215 467 Q HN 0.526 nan 8.270 nan 0.000 0.478 468 K N 1.881 122.299 120.400 0.030 0.000 2.319 468 K HA 0.210 4.589 4.320 0.099 0.000 0.265 468 K C -2.060 174.557 176.600 0.029 0.000 1.000 468 K CA -1.333 54.972 56.287 0.029 0.000 0.943 468 K CB -0.444 32.074 32.500 0.031 0.000 0.950 468 K HN 0.381 nan 8.250 nan 0.000 0.485 469 P HA -0.015 nan 4.420 nan 0.000 0.268 469 P C -0.320 176.996 177.300 0.027 0.000 1.205 469 P CA 0.118 63.233 63.100 0.026 0.000 0.771 469 P CB 0.453 32.170 31.700 0.029 0.000 0.858 470 M N 2.349 121.961 119.600 0.019 0.000 2.239 470 M HA 0.123 4.662 4.480 0.099 0.000 0.348 470 M C 1.161 177.476 176.300 0.024 0.000 1.239 470 M CA 0.542 55.852 55.300 0.018 0.000 1.114 470 M CB -0.048 32.545 32.600 -0.011 0.000 1.641 470 M HN 0.449 nan 8.290 nan 0.000 0.453 471 T N -0.810 113.762 114.554 0.030 0.000 2.937 471 T HA 0.684 5.093 4.350 0.099 0.000 0.283 471 T C 1.140 175.856 174.700 0.027 0.000 1.012 471 T CA -0.378 61.740 62.100 0.030 0.000 0.997 471 T CB 1.385 70.272 68.868 0.032 0.000 1.136 471 T HN 0.603 nan 8.240 nan 0.000 0.551 472 A N 0.563 123.400 122.820 0.028 0.000 1.908 472 A HA -0.097 4.282 4.320 0.099 0.000 0.218 472 A C 2.010 179.609 177.584 0.025 0.000 1.181 472 A CA 1.800 53.851 52.037 0.025 0.000 0.627 472 A CB -1.120 17.900 19.000 0.033 0.000 0.818 472 A HN 0.937 nan 8.150 nan 0.000 0.445 473 D N -0.009 120.409 120.400 0.030 0.000 2.144 473 D HA -0.128 4.571 4.640 0.099 0.000 0.200 473 D C 1.175 177.499 176.300 0.040 0.000 0.978 473 D CA 1.374 55.393 54.000 0.032 0.000 0.833 473 D CB -0.331 40.486 40.800 0.029 0.000 0.961 473 D HN 0.382 nan 8.370 nan 0.000 0.470 474 D N 0.511 120.941 120.400 0.049 0.000 2.123 474 D HA -0.111 4.588 4.640 0.099 0.000 0.196 474 D C 2.335 178.702 176.300 0.111 0.000 0.992 474 D CA 0.457 54.508 54.000 0.085 0.000 0.833 474 D CB -0.268 40.585 40.800 0.089 0.000 0.954 474 D HN 0.084 nan 8.370 nan 0.000 0.455 475 V N 0.994 120.935 119.914 0.045 0.000 2.270 475 V HA -0.195 3.984 4.120 0.099 0.000 0.245 475 V C 2.677 178.773 176.094 0.003 0.000 1.043 475 V CA 1.067 63.367 62.300 0.000 0.000 1.014 475 V CB -0.488 31.292 31.823 -0.072 0.000 0.645 475 V HN 0.173 nan 8.190 nan 0.000 0.447 476 L N -0.211 121.005 121.223 -0.011 0.000 2.127 476 L HA -0.226 4.174 4.340 0.099 0.000 0.211 476 L C 2.418 179.295 176.870 0.011 0.000 1.089 476 L CA 1.473 56.305 54.840 -0.014 0.000 0.757 476 L CB -0.504 41.568 42.059 0.022 0.000 0.899 476 L HN 0.316 nan 8.230 nan 0.000 0.434 477 Q N -2.287 117.534 119.800 0.034 0.000 2.280 477 Q HA -0.002 4.398 4.340 0.099 0.000 0.201 477 Q C 1.376 177.382 176.000 0.010 0.000 0.890 477 Q CA -0.121 55.692 55.803 0.017 0.000 0.947 477 Q CB -0.337 28.406 28.738 0.009 0.000 1.081 477 Q HN 0.567 nan 8.270 nan 0.000 0.502 478 Y N 0.781 121.049 120.300 -0.054 0.000 2.242 478 Y HA 0.060 4.669 4.550 0.099 0.000 0.291 478 Y C 1.909 177.762 175.900 -0.078 0.000 1.137 478 Y CA 2.099 60.164 58.100 -0.058 0.000 1.181 478 Y CB 0.202 38.622 38.460 -0.066 0.000 0.989 478 Y HN 0.407 nan 8.280 nan 0.000 0.527 479 G N -1.142 107.654 108.800 -0.006 0.000 2.192 479 G HA2 -0.147 3.872 3.960 0.099 0.000 0.193 479 G HA3 -0.147 3.872 3.960 0.099 0.000 0.193 479 G C 0.157 175.046 174.900 -0.018 0.000 0.999 479 G CA -0.136 44.923 45.100 -0.067 0.000 0.659 479 G HN 0.703 nan 8.290 nan 0.000 0.503 480 A N 0.322 123.177 122.820 0.058 0.000 2.340 480 A HA 0.601 4.980 4.320 0.099 0.000 0.268 480 A C 1.148 178.716 177.584 -0.028 0.000 1.100 480 A CA 0.601 52.645 52.037 0.011 0.000 0.803 480 A CB 0.405 19.409 19.000 0.006 0.000 1.043 480 A HN 0.146 nan 8.150 nan 0.000 0.488 481 D N 0.523 120.911 120.400 -0.021 0.000 2.149 481 D HA -0.005 4.694 4.640 0.099 0.000 0.201 481 D C 0.232 176.504 176.300 -0.047 0.000 0.972 481 D CA 1.443 55.433 54.000 -0.016 0.000 0.835 481 D CB 0.255 41.068 40.800 0.021 0.000 0.966 481 D HN 0.522 nan 8.370 nan 0.000 0.476 482 K N -0.140 120.220 120.400 -0.066 0.000 2.477 482 K HA 0.537 4.916 4.320 0.099 0.000 0.255 482 K C -1.252 175.248 176.600 -0.166 0.000 0.952 482 K CA -0.659 55.556 56.287 -0.120 0.000 0.826 482 K CB 3.596 36.099 32.500 0.004 0.000 1.331 482 K HN -0.288 nan 8.250 nan 0.000 0.437 483 V N 2.909 122.653 119.914 -0.285 0.000 2.656 483 V HA 0.501 4.680 4.120 0.099 0.000 0.307 483 V C -0.712 175.273 176.094 -0.181 0.000 1.051 483 V CA -0.817 61.337 62.300 -0.244 0.000 0.893 483 V CB 1.781 33.414 31.823 -0.315 0.000 0.999 483 V HN 0.608 nan 8.190 nan 0.000 0.426 484 I N 5.125 125.647 120.570 -0.081 0.000 2.389 484 I HA 0.438 4.667 4.170 0.099 0.000 0.288 484 I C -0.727 175.377 176.117 -0.021 0.000 0.999 484 I CA -0.521 60.776 61.300 -0.005 0.000 1.129 484 I CB 1.704 39.711 38.000 0.012 0.000 1.288 484 I HN 0.340 nan 8.210 nan 0.000 0.444 485 I N 5.993 126.572 120.570 0.015 0.000 2.297 485 I HA 0.341 4.570 4.170 0.099 0.000 0.291 485 I C 0.604 176.705 176.117 -0.026 0.000 1.033 485 I CA -0.112 61.201 61.300 0.022 0.000 1.253 485 I CB 1.136 39.217 38.000 0.135 0.000 1.396 485 I HN 0.641 nan 8.210 nan 0.000 0.476 486 A N 4.140 126.948 122.820 -0.020 0.000 3.129 486 A HA 0.348 4.728 4.320 0.099 0.000 0.282 486 A C 0.916 178.493 177.584 -0.012 0.000 0.948 486 A CA -0.342 51.680 52.037 -0.025 0.000 1.027 486 A CB -0.357 18.634 19.000 -0.014 0.000 1.123 486 A HN 0.705 nan 8.150 nan 0.000 0.485 487 T N -2.765 111.780 114.554 -0.016 0.000 3.144 487 T HA 0.473 4.882 4.350 0.099 0.000 0.249 487 T C 1.156 175.846 174.700 -0.017 0.000 1.089 487 T CA 0.680 62.779 62.100 -0.002 0.000 0.989 487 T CB -0.172 68.706 68.868 0.017 0.000 0.992 487 T HN 2.007 nan 8.240 nan 0.000 0.540 488 G N 0.984 109.759 108.800 -0.041 0.000 2.681 488 G HA2 0.322 4.342 3.960 0.099 0.000 0.220 488 G HA3 0.322 4.342 3.960 0.099 0.000 0.220 488 G C -0.308 174.512 174.900 -0.134 0.000 1.353 488 G CA -0.453 44.602 45.100 -0.076 0.000 0.872 488 G HN 1.265 nan 8.290 nan 0.000 0.557 489 A N -0.653 122.039 122.820 -0.213 0.000 2.532 489 A HA 1.002 5.381 4.320 0.099 0.000 0.290 489 A C -0.027 177.339 177.584 -0.363 0.000 1.143 489 A CA -0.336 51.507 52.037 -0.323 0.000 0.728 489 A CB 1.733 20.492 19.000 -0.401 0.000 1.317 489 A HN 1.049 nan 8.150 nan 0.000 0.414 490 R N -0.886 119.276 120.500 -0.562 0.000 2.740 490 R HA 0.314 4.713 4.340 0.099 0.000 0.273 490 R C -1.699 174.295 176.300 -0.510 0.000 0.998 490 R CA -0.447 55.411 56.100 -0.403 0.000 0.900 490 R CB 1.353 31.508 30.300 -0.241 0.000 1.223 490 R HN 0.756 nan 8.270 nan 0.000 0.466 491 W N 1.539 122.749 121.300 -0.150 0.000 2.181 491 W HA 0.101 4.819 4.660 0.096 0.000 0.335 491 W C 0.715 177.287 176.519 0.088 0.000 1.310 491 W CA 0.196 57.509 57.345 -0.053 0.000 1.226 491 W CB 0.214 29.652 29.460 -0.037 0.000 1.155 491 W HN 0.267 nan 8.180 nan 0.000 0.565 492 N N 1.065 119.971 118.700 0.342 0.000 2.454 492 N HA -0.006 4.794 4.740 0.099 0.000 0.254 492 N C 0.991 176.641 175.510 0.233 0.000 1.228 492 N CA 0.584 53.826 53.050 0.321 0.000 0.900 492 N CB 0.725 39.351 38.487 0.231 0.000 1.089 492 N HN 0.482 nan 8.380 nan 0.000 0.449 493 T N -3.497 111.152 114.554 0.159 0.000 3.054 493 T HA 0.056 4.465 4.350 0.099 0.000 0.255 493 T C 0.326 175.066 174.700 0.068 0.000 1.035 493 T CA -0.174 61.990 62.100 0.108 0.000 0.941 493 T CB 0.046 68.970 68.868 0.093 0.000 1.026 493 T HN 0.515 nan 8.240 nan 0.000 0.533 494 D N 0.010 120.448 120.400 0.064 0.000 2.540 494 D HA 0.301 5.001 4.640 0.099 0.000 0.229 494 D C 1.489 177.825 176.300 0.060 0.000 1.250 494 D CA 0.109 54.137 54.000 0.047 0.000 0.817 494 D CB -0.228 40.589 40.800 0.028 0.000 1.060 494 D HN 0.417 nan 8.370 nan 0.000 0.508 495 G N 0.122 108.969 108.800 0.079 0.000 2.199 495 G HA2 -0.290 3.729 3.960 0.099 0.000 0.254 495 G HA3 -0.290 3.729 3.960 0.099 0.000 0.254 495 G C 0.527 175.518 174.900 0.152 0.000 0.982 495 G CA 0.292 45.450 45.100 0.097 0.000 0.632 495 G HN 0.449 nan 8.290 nan 0.000 0.529 496 T N 1.391 116.021 114.554 0.127 0.000 2.933 496 T HA 0.422 4.832 4.350 0.099 0.000 0.306 496 T C 0.413 175.208 174.700 0.158 0.000 1.045 496 T CA 1.131 63.310 62.100 0.131 0.000 1.143 496 T CB 0.540 69.466 68.868 0.096 0.000 1.003 496 T HN 1.205 nan 8.240 nan 0.000 0.540 497 N N -0.434 118.350 118.700 0.141 0.000 2.823 497 N HA 0.264 5.063 4.740 0.099 0.000 0.251 497 N C 0.884 176.398 175.510 0.007 0.000 1.392 497 N CA -0.825 52.281 53.050 0.093 0.000 0.864 497 N CB 0.231 38.794 38.487 0.128 0.000 1.481 497 N HN 0.538 nan 8.380 nan 0.000 0.508 498 C N -0.748 118.529 119.300 -0.039 0.000 2.437 498 C HA 0.173 4.693 4.460 0.099 0.000 0.283 498 C C 1.742 176.518 174.990 -0.357 0.000 1.424 498 C CA 0.054 59.044 59.018 -0.047 0.000 1.782 498 C CB -1.715 26.032 27.740 0.011 0.000 1.833 498 C HN 0.675 nan 8.230 nan 0.000 0.532 499 L N 2.366 123.343 121.223 -0.410 0.000 2.095 499 L HA 0.037 4.436 4.340 0.099 0.000 0.204 499 L C 2.897 179.518 176.870 -0.414 0.000 1.080 499 L CA 2.376 56.962 54.840 -0.423 0.000 0.759 499 L CB -1.070 40.691 42.059 -0.496 0.000 0.914 499 L HN 0.631 nan 8.230 nan 0.000 0.439 500 T N -6.411 107.943 114.554 -0.334 0.000 2.971 500 T HA 0.059 4.469 4.350 0.099 0.000 0.252 500 T C 0.632 175.223 174.700 -0.182 0.000 1.022 500 T CA 0.051 62.032 62.100 -0.199 0.000 0.980 500 T CB -0.114 68.759 68.868 0.008 0.000 1.044 500 T HN 0.312 nan 8.240 nan 0.000 0.501 501 H N 0.782 119.865 119.070 0.023 0.000 3.047 501 H HA -0.092 4.523 4.556 0.100 0.000 0.263 501 H C -0.921 174.429 175.328 0.038 0.000 1.168 501 H CA 1.302 57.366 56.048 0.025 0.000 1.152 501 H CB -2.048 27.723 29.762 0.015 0.000 1.278 501 H HN 0.509 nan 8.280 nan 0.000 0.339 502 D N -0.434 120.041 120.400 0.125 0.000 2.547 502 D HA 0.362 5.061 4.640 0.099 0.000 0.231 502 D C -2.283 174.076 176.300 0.099 0.000 1.099 502 D CA -1.715 52.346 54.000 0.101 0.000 0.901 502 D CB 2.046 42.897 40.800 0.084 0.000 1.478 502 D HN -0.128 nan 8.370 nan 0.000 0.471 503 P HA 0.144 nan 4.420 nan 0.000 0.269 503 P C -0.286 177.063 177.300 0.082 0.000 1.217 503 P CA 0.075 63.219 63.100 0.074 0.000 0.783 503 P CB 0.628 32.358 31.700 0.051 0.000 0.898 504 I N 2.933 123.547 120.570 0.074 0.000 2.331 504 I HA 0.238 4.467 4.170 0.099 0.000 0.292 504 I C -2.047 174.098 176.117 0.047 0.000 0.998 504 I CA -2.615 58.719 61.300 0.056 0.000 1.267 504 I CB 1.169 39.177 38.000 0.013 0.000 1.386 504 I HN 0.132 nan 8.210 nan 0.000 0.476 505 P HA 0.031 nan 4.420 nan 0.000 0.261 505 P C 0.828 178.168 177.300 0.067 0.000 1.183 505 P CA 0.786 63.920 63.100 0.056 0.000 0.761 505 P CB 0.545 32.281 31.700 0.060 0.000 0.785 506 G N 2.312 111.152 108.800 0.068 0.000 2.217 506 G HA2 -0.215 3.805 3.960 0.099 0.000 0.246 506 G HA3 -0.215 3.805 3.960 0.099 0.000 0.246 506 G C 0.420 175.364 174.900 0.073 0.000 0.990 506 G CA -0.024 45.126 45.100 0.083 0.000 0.627 506 G HN 0.852 nan 8.290 nan 0.000 0.522 507 A N 0.267 123.118 122.820 0.051 0.000 2.409 507 A HA 0.569 4.948 4.320 0.099 0.000 0.262 507 A C 0.107 177.714 177.584 0.039 0.000 1.113 507 A CA 0.900 52.958 52.037 0.035 0.000 0.790 507 A CB 0.579 19.593 19.000 0.022 0.000 1.046 507 A HN 0.830 nan 8.150 nan 0.000 0.496 508 D N 1.495 121.916 120.400 0.035 0.000 2.251 508 D HA 0.253 4.953 4.640 0.099 0.000 0.210 508 D C 0.341 176.660 176.300 0.033 0.000 1.304 508 D CA 0.258 54.280 54.000 0.037 0.000 0.912 508 D CB 0.493 41.317 40.800 0.040 0.000 1.553 508 D HN 0.479 nan 8.370 nan 0.000 0.526 509 A N 1.993 124.832 122.820 0.032 0.000 2.248 509 A HA -0.024 4.355 4.320 0.099 0.000 0.210 509 A C 1.721 179.322 177.584 0.029 0.000 1.174 509 A CA 1.427 53.480 52.037 0.027 0.000 0.750 509 A CB -0.224 18.799 19.000 0.039 0.000 0.780 509 A HN 0.497 nan 8.150 nan 0.000 0.478 510 S N -0.743 114.977 115.700 0.033 0.000 2.562 510 S HA 0.262 4.792 4.470 0.099 0.000 0.221 510 S C 0.552 175.171 174.600 0.031 0.000 0.975 510 S CA -0.305 57.913 58.200 0.031 0.000 0.918 510 S CB -0.510 62.708 63.200 0.031 0.000 0.772 510 S HN 0.405 nan 8.310 nan 0.000 0.531 511 L N 2.200 123.445 121.223 0.035 0.000 2.436 511 L HA 0.261 4.660 4.340 0.099 0.000 0.265 511 L C -1.053 175.842 176.870 0.041 0.000 1.168 511 L CA -1.996 52.869 54.840 0.042 0.000 0.815 511 L CB 0.309 42.403 42.059 0.057 0.000 1.109 511 L HN -0.019 nan 8.230 nan 0.000 0.462 512 P HA -0.157 nan 4.420 nan 0.000 0.220 512 P C 0.351 177.685 177.300 0.055 0.000 1.148 512 P CA 1.154 64.280 63.100 0.042 0.000 0.803 512 P CB 0.005 31.728 31.700 0.038 0.000 0.782 513 D N -1.692 118.761 120.400 0.087 0.000 2.388 513 D HA 0.042 4.741 4.640 0.099 0.000 0.221 513 D C 0.301 176.654 176.300 0.088 0.000 1.133 513 D CA -0.084 53.997 54.000 0.134 0.000 0.831 513 D CB -0.185 40.762 40.800 0.244 0.000 0.962 513 D HN 0.202 nan 8.370 nan 0.000 0.502 514 Q N -0.222 119.593 119.800 0.025 0.000 2.397 514 Q HA 0.689 5.089 4.340 0.099 0.000 0.275 514 Q C -1.218 174.754 176.000 -0.047 0.000 1.090 514 Q CA -0.956 54.817 55.803 -0.050 0.000 0.809 514 Q CB 2.723 31.443 28.738 -0.031 0.000 1.362 514 Q HN 0.038 nan 8.270 nan 0.000 0.431 515 L N 0.314 121.488 121.223 -0.082 0.000 2.434 515 L HA 0.514 4.914 4.340 0.099 0.000 0.260 515 L C -0.094 176.729 176.870 -0.078 0.000 0.983 515 L CA -0.673 54.125 54.840 -0.069 0.000 0.820 515 L CB 2.322 44.327 42.059 -0.091 0.000 1.361 515 L HN 0.721 nan 8.230 nan 0.000 0.410 516 T N -2.266 112.259 114.554 -0.049 0.000 2.881 516 T HA 0.428 4.837 4.350 0.099 0.000 0.278 516 T C -2.164 172.452 174.700 -0.140 0.000 0.982 516 T CA -1.820 60.249 62.100 -0.052 0.000 0.989 516 T CB 1.359 70.257 68.868 0.050 0.000 1.058 516 T HN 0.333 nan 8.240 nan 0.000 0.529 517 P HA -0.108 nan 4.420 nan 0.000 0.215 517 P C 1.263 178.463 177.300 -0.168 0.000 1.157 517 P CA 1.181 64.063 63.100 -0.363 0.000 0.874 517 P CB 0.022 31.227 31.700 -0.825 0.000 0.790 518 E N -0.532 119.635 120.200 -0.056 0.000 2.085 518 E HA -0.214 4.195 4.350 0.099 0.000 0.194 518 E C 2.174 178.771 176.600 -0.005 0.000 0.994 518 E CA 1.210 57.622 56.400 0.019 0.000 0.801 518 E CB -0.688 29.064 29.700 0.087 0.000 0.743 518 E HN 0.388 nan 8.360 nan 0.000 0.453 519 Q N -0.044 119.747 119.800 -0.014 0.000 2.124 519 Q HA -0.116 4.283 4.340 0.099 0.000 0.202 519 Q C 2.241 178.215 176.000 -0.043 0.000 0.977 519 Q CA 1.222 57.014 55.803 -0.019 0.000 0.850 519 Q CB 0.039 28.767 28.738 -0.016 0.000 0.901 519 Q HN 0.169 nan 8.270 nan 0.000 0.429 520 V N 0.631 120.499 119.914 -0.077 0.000 2.307 520 V HA -0.256 3.923 4.120 0.099 0.000 0.245 520 V C 2.110 178.160 176.094 -0.073 0.000 1.045 520 V CA 1.671 63.915 62.300 -0.094 0.000 1.024 520 V CB -0.379 31.360 31.823 -0.140 0.000 0.651 520 V HN 0.417 nan 8.190 nan 0.000 0.449 521 M N -0.460 119.099 119.600 -0.068 0.000 2.229 521 M HA -0.148 4.391 4.480 0.099 0.000 0.264 521 M C 1.868 178.152 176.300 -0.027 0.000 1.063 521 M CA 1.498 56.768 55.300 -0.050 0.000 1.114 521 M CB -0.571 32.005 32.600 -0.041 0.000 1.387 521 M HN 0.292 nan 8.290 nan 0.000 0.420 522 D N 0.327 120.718 120.400 -0.016 0.000 2.178 522 D HA -0.065 4.634 4.640 0.099 0.000 0.201 522 D C 1.526 177.821 176.300 -0.008 0.000 0.980 522 D CA 1.566 55.563 54.000 -0.005 0.000 0.842 522 D CB -0.317 40.485 40.800 0.004 0.000 0.948 522 D HN 0.534 nan 8.370 nan 0.000 0.472 523 G N -0.420 108.371 108.800 -0.015 0.000 2.160 523 G HA2 -0.373 3.646 3.960 0.099 0.000 0.251 523 G HA3 -0.373 3.646 3.960 0.099 0.000 0.251 523 G C 1.186 176.085 174.900 -0.002 0.000 1.008 523 G CA 1.431 46.524 45.100 -0.012 0.000 0.724 523 G HN 0.692 nan 8.290 nan 0.000 0.514 524 K N -0.433 119.967 120.400 -0.001 0.000 2.244 524 K HA 0.450 4.829 4.320 0.099 0.000 0.200 524 K C 1.166 177.769 176.600 0.006 0.000 1.052 524 K CA 1.442 57.732 56.287 0.005 0.000 0.980 524 K CB 0.024 32.528 32.500 0.007 0.000 0.838 524 K HN 0.611 nan 8.250 nan 0.000 0.481 525 K N 1.844 122.245 120.400 0.001 0.000 2.368 525 K HA 0.366 4.745 4.320 0.099 0.000 0.282 525 K C 0.117 176.719 176.600 0.003 0.000 1.035 525 K CA 0.140 56.429 56.287 0.003 0.000 0.973 525 K CB 0.733 33.231 32.500 -0.003 0.000 0.957 525 K HN 0.331 nan 8.250 nan 0.000 0.474 526 K N 4.151 124.559 120.400 0.013 0.000 2.355 526 K HA 0.203 4.582 4.320 0.099 0.000 0.270 526 K C -0.042 176.572 176.600 0.022 0.000 1.003 526 K CA 0.287 56.589 56.287 0.025 0.000 0.957 526 K CB -0.039 32.479 32.500 0.030 0.000 0.939 526 K HN 0.663 nan 8.250 nan 0.000 0.482 527 I N 1.898 122.495 120.570 0.045 0.000 2.499 527 I HA 0.412 4.641 4.170 0.099 0.000 0.288 527 I C 0.881 177.082 176.117 0.140 0.000 1.048 527 I CA -1.155 60.161 61.300 0.026 0.000 1.062 527 I CB 2.331 40.265 38.000 -0.109 0.000 1.238 527 I HN 0.820 nan 8.210 nan 0.000 0.426 528 G N 3.349 112.218 108.800 0.115 0.000 2.588 528 G HA2 0.193 4.212 3.960 0.099 0.000 0.281 528 G HA3 0.193 4.212 3.960 0.099 0.000 0.281 528 G C 0.621 175.665 174.900 0.240 0.000 1.236 528 G CA -0.191 44.998 45.100 0.149 0.000 0.969 528 G HN 0.605 nan 8.290 nan 0.000 0.504 529 K N -0.287 120.211 120.400 0.163 0.000 1.978 529 K HA -0.062 4.317 4.320 0.099 0.000 0.214 529 K C 1.280 177.992 176.600 0.187 0.000 1.049 529 K CA 1.122 57.498 56.287 0.149 0.000 0.939 529 K CB -0.219 32.311 32.500 0.050 0.000 0.721 529 K HN 0.433 nan 8.250 nan 0.000 0.441 530 R N 0.384 120.963 120.500 0.132 0.000 2.216 530 R HA 0.310 4.710 4.340 0.099 0.000 0.332 530 R C -1.096 175.282 176.300 0.130 0.000 1.056 530 R CA -0.434 55.737 56.100 0.118 0.000 0.901 530 R CB 1.539 31.899 30.300 0.099 0.000 1.039 530 R HN -0.070 nan 8.270 nan 0.000 0.456 531 V N 4.470 124.431 119.914 0.078 0.000 2.540 531 V HA 0.324 4.503 4.120 0.099 0.000 0.302 531 V C -0.224 175.858 176.094 -0.020 0.000 1.035 531 V CA -0.813 61.487 62.300 -0.000 0.000 0.873 531 V CB 2.157 33.926 31.823 -0.090 0.000 0.992 531 V HN 0.437 nan 8.190 nan 0.000 0.428 532 V N 6.228 126.094 119.914 -0.079 0.000 2.483 532 V HA 0.528 4.707 4.120 0.099 0.000 0.295 532 V C -0.218 175.767 176.094 -0.181 0.000 1.035 532 V CA -0.490 61.744 62.300 -0.109 0.000 0.896 532 V CB 1.953 33.712 31.823 -0.106 0.000 0.986 532 V HN 0.670 nan 8.190 nan 0.000 0.447 533 I N 5.246 125.732 120.570 -0.139 0.000 2.362 533 I HA 0.362 4.591 4.170 0.099 0.000 0.289 533 I C -0.713 175.330 176.117 -0.123 0.000 0.994 533 I CA -0.587 60.623 61.300 -0.149 0.000 1.158 533 I CB 1.658 39.579 38.000 -0.132 0.000 1.315 533 I HN 0.399 nan 8.210 nan 0.000 0.451 534 L N 7.594 128.736 121.223 -0.135 0.000 2.264 534 L HA 0.479 4.878 4.340 0.099 0.000 0.289 534 L C -0.623 176.250 176.870 0.005 0.000 1.044 534 L CA 0.123 54.906 54.840 -0.095 0.000 0.807 534 L CB 0.879 42.835 42.059 -0.170 0.000 1.192 534 L HN 0.540 nan 8.230 nan 0.000 0.425 535 N N 3.781 122.532 118.700 0.085 0.000 2.354 535 N HA 0.709 5.508 4.740 0.099 0.000 0.287 535 N C -0.471 175.146 175.510 0.178 0.000 1.016 535 N CA 0.094 53.204 53.050 0.100 0.000 0.871 535 N CB 2.047 40.555 38.487 0.035 0.000 1.299 535 N HN 0.663 nan 8.380 nan 0.000 0.482 536 A N 2.641 125.552 122.820 0.153 0.000 2.610 536 A HA 0.191 4.570 4.320 0.099 0.000 0.291 536 A C -0.317 177.305 177.584 0.062 0.000 1.116 536 A CA -0.428 51.636 52.037 0.044 0.000 0.963 536 A CB -0.121 18.853 19.000 -0.043 0.000 1.220 536 A HN 0.666 nan 8.150 nan 0.000 0.530 537 D N 0.383 120.847 120.400 0.106 0.000 2.256 537 D HA 0.264 4.963 4.640 0.099 0.000 0.246 537 D C 0.593 176.957 176.300 0.106 0.000 1.042 537 D CA 0.403 54.478 54.000 0.126 0.000 0.841 537 D CB 1.853 42.788 40.800 0.225 0.000 1.223 537 D HN 0.104 nan 8.370 nan 0.000 0.470 538 T N 0.414 115.047 114.554 0.132 0.000 3.163 538 T HA 0.084 4.494 4.350 0.099 0.000 0.252 538 T C 0.950 175.801 174.700 0.251 0.000 1.056 538 T CA -0.118 62.076 62.100 0.158 0.000 0.947 538 T CB -0.239 68.736 68.868 0.178 0.000 1.016 538 T HN 0.500 nan 8.240 nan 0.000 0.554 539 Y N 0.677 121.014 120.300 0.061 0.000 3.252 539 Y HA 0.417 5.026 4.550 0.098 0.000 0.369 539 Y C 1.175 177.109 175.900 0.057 0.000 1.223 539 Y CA -1.095 57.071 58.100 0.109 0.000 1.036 539 Y CB 0.599 39.092 38.460 0.054 0.000 1.152 539 Y HN 0.120 nan 8.280 nan 0.000 0.885 540 F N -1.081 118.883 119.950 0.024 0.000 2.717 540 F HA 0.171 4.758 4.527 0.100 0.000 0.295 540 F C 1.658 177.372 175.800 -0.143 0.000 1.117 540 F CA 0.016 57.953 58.000 -0.105 0.000 1.361 540 F CB -0.338 38.451 39.000 -0.352 0.000 1.112 540 F HN 0.241 nan 8.300 nan 0.000 0.594 541 M N 2.505 121.674 119.600 -0.719 0.000 2.065 541 M HA 0.009 4.548 4.480 0.099 0.000 0.259 541 M C 2.347 178.466 176.300 -0.303 0.000 1.069 541 M CA 2.111 57.100 55.300 -0.517 0.000 1.110 541 M CB -0.946 31.208 32.600 -0.743 0.000 1.328 541 M HN 0.264 nan 8.290 nan 0.000 0.405 542 A N -0.002 122.669 122.820 -0.248 0.000 1.873 542 A HA -0.043 4.336 4.320 0.099 0.000 0.215 542 A C -0.229 177.283 177.584 -0.120 0.000 1.186 542 A CA 1.578 53.507 52.037 -0.180 0.000 0.616 542 A CB -2.238 16.691 19.000 -0.120 0.000 0.823 542 A HN 0.470 nan 8.150 nan 0.000 0.442 543 P HA -0.066 nan 4.420 nan 0.000 0.217 543 P C 1.626 178.885 177.300 -0.069 0.000 1.150 543 P CA 1.727 64.791 63.100 -0.061 0.000 0.832 543 P CB -0.094 31.586 31.700 -0.032 0.000 0.787 544 S N -0.557 115.106 115.700 -0.062 0.000 2.368 544 S HA -0.061 4.468 4.470 0.099 0.000 0.224 544 S C 1.865 176.399 174.600 -0.110 0.000 1.029 544 S CA 0.999 59.148 58.200 -0.085 0.000 0.988 544 S CB -1.111 62.061 63.200 -0.046 0.000 0.838 544 S HN 0.110 nan 8.310 nan 0.000 0.462 545 L N 1.204 122.349 121.223 -0.131 0.000 2.046 545 L HA -0.131 4.268 4.340 0.099 0.000 0.208 545 L C 2.835 179.632 176.870 -0.123 0.000 1.077 545 L CA 1.188 55.938 54.840 -0.150 0.000 0.747 545 L CB -0.761 41.176 42.059 -0.203 0.000 0.896 545 L HN 0.325 nan 8.230 nan 0.000 0.432 546 A N -0.080 122.674 122.820 -0.109 0.000 1.883 546 A HA -0.283 4.097 4.320 0.099 0.000 0.217 546 A C 2.282 179.828 177.584 -0.064 0.000 1.186 546 A CA 2.024 54.011 52.037 -0.082 0.000 0.624 546 A CB -0.587 18.370 19.000 -0.071 0.000 0.822 546 A HN 0.497 nan 8.150 nan 0.000 0.444 547 E N -0.124 120.035 120.200 -0.069 0.000 2.051 547 E HA -0.261 4.149 4.350 0.099 0.000 0.192 547 E C 2.104 178.670 176.600 -0.056 0.000 0.991 547 E CA 1.567 57.930 56.400 -0.061 0.000 0.799 547 E CB -0.176 29.481 29.700 -0.072 0.000 0.748 547 E HN 0.627 nan 8.360 nan 0.000 0.449 548 K N 0.434 120.791 120.400 -0.072 0.000 2.009 548 K HA -0.175 4.205 4.320 0.099 0.000 0.210 548 K C 2.293 178.881 176.600 -0.020 0.000 1.049 548 K CA 1.579 57.829 56.287 -0.061 0.000 0.929 548 K CB -0.161 32.288 32.500 -0.085 0.000 0.714 548 K HN 0.196 nan 8.250 nan 0.000 0.440 549 L N 0.271 121.476 121.223 -0.031 0.000 2.093 549 L HA -0.099 4.300 4.340 0.099 0.000 0.208 549 L C 2.656 179.612 176.870 0.142 0.000 1.085 549 L CA 1.035 55.891 54.840 0.027 0.000 0.755 549 L CB -0.484 41.490 42.059 -0.142 0.000 0.904 549 L HN 0.305 nan 8.230 nan 0.000 0.435 550 A N 0.297 123.150 122.820 0.056 0.000 1.898 550 A HA -0.196 4.183 4.320 0.099 0.000 0.216 550 A C 2.457 180.061 177.584 0.034 0.000 1.181 550 A CA 2.071 54.140 52.037 0.053 0.000 0.620 550 A CB -0.917 18.092 19.000 0.016 0.000 0.819 550 A HN 0.504 nan 8.150 nan 0.000 0.442 551 T N -2.448 112.114 114.554 0.013 0.000 2.915 551 T HA 0.132 4.542 4.350 0.099 0.000 0.269 551 T C 1.605 176.309 174.700 0.006 0.000 1.071 551 T CA 1.366 63.466 62.100 -0.001 0.000 1.132 551 T CB -0.409 68.447 68.868 -0.019 0.000 0.878 551 T HN 0.566 nan 8.240 nan 0.000 0.479 552 A N 0.475 123.320 122.820 0.041 0.000 2.259 552 A HA 0.591 4.971 4.320 0.099 0.000 0.208 552 A C 1.981 179.529 177.584 -0.059 0.000 1.201 552 A CA 0.577 52.636 52.037 0.037 0.000 0.824 552 A CB -1.219 17.853 19.000 0.120 0.000 0.838 552 A HN 1.391 nan 8.150 nan 0.000 0.485 553 G N -1.468 107.296 108.800 -0.061 0.000 2.176 553 G HA2 -0.201 3.818 3.960 0.099 0.000 0.232 553 G HA3 -0.201 3.818 3.960 0.099 0.000 0.232 553 G C 0.142 174.923 174.900 -0.197 0.000 0.986 553 G CA 0.131 45.146 45.100 -0.140 0.000 0.643 553 G HN 0.686 nan 8.290 nan 0.000 0.522 554 H N 1.224 120.287 119.070 -0.012 0.000 2.707 554 H HA 0.314 4.929 4.556 0.099 0.000 0.359 554 H C 0.221 175.545 175.328 -0.006 0.000 1.113 554 H CA 0.340 56.383 56.048 -0.009 0.000 1.422 554 H CB 0.669 30.422 29.762 -0.015 0.000 1.443 554 H HN 0.452 nan 8.280 nan 0.000 0.591 555 E N 1.979 122.248 120.200 0.114 0.000 2.105 555 E HA 0.254 4.663 4.350 0.099 0.000 0.285 555 E C -0.631 176.010 176.600 0.068 0.000 1.055 555 E CA -0.413 56.028 56.400 0.067 0.000 0.843 555 E CB 1.071 30.795 29.700 0.041 0.000 1.067 555 E HN 0.182 nan 8.360 nan 0.000 0.398 556 V N 3.353 123.295 119.914 0.047 0.000 2.513 556 V HA 0.343 4.522 4.120 0.099 0.000 0.299 556 V C 0.071 176.168 176.094 0.005 0.000 1.035 556 V CA -0.608 61.702 62.300 0.017 0.000 0.889 556 V CB 2.015 33.839 31.823 -0.000 0.000 0.988 556 V HN 0.640 nan 8.190 nan 0.000 0.440 557 T N 5.644 120.193 114.554 -0.007 0.000 2.824 557 T HA 0.651 5.060 4.350 0.099 0.000 0.282 557 T C -0.414 174.265 174.700 -0.035 0.000 0.993 557 T CA -0.223 61.868 62.100 -0.015 0.000 0.967 557 T CB 1.246 70.110 68.868 -0.008 0.000 0.960 557 T HN 0.393 nan 8.240 nan 0.000 0.441 558 I N 2.723 123.274 120.570 -0.032 0.000 2.354 558 I HA 0.425 4.655 4.170 0.099 0.000 0.292 558 I C -0.442 175.659 176.117 -0.027 0.000 0.989 558 I CA -1.022 60.256 61.300 -0.037 0.000 1.188 558 I CB 1.621 39.604 38.000 -0.029 0.000 1.342 558 I HN 0.240 nan 8.210 nan 0.000 0.457 559 V N 5.264 125.158 119.914 -0.034 0.000 2.311 559 V HA 0.250 4.430 4.120 0.099 0.000 0.275 559 V C 0.088 176.202 176.094 0.034 0.000 1.022 559 V CA -0.210 62.077 62.300 -0.022 0.000 0.830 559 V CB 1.298 33.079 31.823 -0.069 0.000 1.012 559 V HN 0.763 nan 8.190 nan 0.000 0.452 560 S N 3.389 119.131 115.700 0.070 0.000 2.498 560 S HA 0.549 5.079 4.470 0.099 0.000 0.317 560 S C 1.104 175.767 174.600 0.105 0.000 1.090 560 S CA 0.036 58.295 58.200 0.098 0.000 1.089 560 S CB 1.426 64.673 63.200 0.078 0.000 0.997 560 S HN 0.906 nan 8.310 nan 0.000 0.470 561 G N 2.909 111.784 108.800 0.126 0.000 2.813 561 G HA2 0.243 4.262 3.960 0.099 0.000 0.209 561 G HA3 0.243 4.262 3.960 0.099 0.000 0.209 561 G C 0.462 175.286 174.900 -0.127 0.000 1.150 561 G CA 0.734 45.797 45.100 -0.061 0.000 0.785 561 G HN 0.861 nan 8.290 nan 0.000 0.535 562 V N -4.288 115.608 119.914 -0.030 0.000 3.113 562 V HA 0.511 4.690 4.120 0.099 0.000 0.316 562 V C -0.150 176.024 176.094 0.133 0.000 1.125 562 V CA -1.663 60.656 62.300 0.031 0.000 1.026 562 V CB 1.441 33.280 31.823 0.027 0.000 1.080 562 V HN 0.222 nan 8.190 nan 0.000 0.444 563 H N 1.704 120.819 119.070 0.074 0.000 3.026 563 H HA 0.251 4.865 4.556 0.098 0.000 0.289 563 H C -0.252 175.147 175.328 0.117 0.000 1.022 563 H CA -0.563 55.549 56.048 0.107 0.000 1.477 563 H CB 1.077 30.907 29.762 0.114 0.000 1.510 563 H HN 0.723 nan 8.280 nan 0.000 0.535 564 L N 5.441 126.670 121.223 0.009 0.000 2.499 564 L HA 0.081 4.480 4.340 0.099 0.000 0.273 564 L C 0.919 177.733 176.870 -0.093 0.000 1.195 564 L CA 1.165 55.993 54.840 -0.020 0.000 0.882 564 L CB 0.021 42.092 42.059 0.020 0.000 1.133 564 L HN 0.934 nan 8.230 nan 0.000 0.483 565 A N 3.172 125.990 122.820 -0.003 0.000 2.816 565 A HA -0.335 4.044 4.320 0.099 0.000 0.270 565 A C 1.627 179.183 177.584 -0.047 0.000 1.413 565 A CA 1.281 53.352 52.037 0.057 0.000 0.866 565 A CB -2.655 16.381 19.000 0.061 0.000 1.032 565 A HN 1.055 nan 8.150 nan 0.000 0.642 566 N N -1.192 117.432 118.700 -0.127 0.000 2.094 566 N HA -0.201 4.598 4.740 0.099 0.000 0.191 566 N C 1.294 176.669 175.510 -0.225 0.000 1.023 566 N CA 2.502 55.451 53.050 -0.169 0.000 0.857 566 N CB -0.363 38.169 38.487 0.075 0.000 1.013 566 N HN 0.757 nan 8.380 nan 0.000 0.426 567 Y N 0.337 120.570 120.300 -0.113 0.000 2.421 567 Y HA 0.018 4.627 4.550 0.099 0.000 0.292 567 Y C 1.841 177.660 175.900 -0.135 0.000 1.136 567 Y CA 1.129 59.168 58.100 -0.103 0.000 1.255 567 Y CB -0.035 38.333 38.460 -0.153 0.000 0.991 567 Y HN 0.167 nan 8.280 nan 0.000 0.552 568 M N -1.197 118.433 119.600 0.051 0.000 2.549 568 M HA -0.190 4.349 4.480 0.099 0.000 0.260 568 M C 1.596 177.866 176.300 -0.050 0.000 1.076 568 M CA 0.767 56.129 55.300 0.103 0.000 1.090 568 M CB -0.318 32.428 32.600 0.243 0.000 1.418 568 M HN 0.291 nan 8.290 nan 0.000 0.486 569 H N 0.143 119.024 119.070 -0.316 0.000 2.321 569 H HA -0.103 4.512 4.556 0.099 0.000 0.300 569 H C 1.920 177.078 175.328 -0.283 0.000 1.087 569 H CA 1.780 57.566 56.048 -0.436 0.000 1.319 569 H CB -0.530 28.760 29.762 -0.787 0.000 1.379 569 H HN 0.479 nan 8.280 nan 0.000 0.501 570 F N 0.662 120.576 119.950 -0.059 0.000 2.259 570 F HA -0.101 4.486 4.527 0.099 0.000 0.298 570 F C 2.561 178.275 175.800 -0.144 0.000 1.088 570 F CA 1.036 58.932 58.000 -0.173 0.000 1.358 570 F CB -0.191 38.522 39.000 -0.479 0.000 1.040 570 F HN 0.141 nan 8.300 nan 0.000 0.505 571 T N -1.901 112.669 114.554 0.026 0.000 3.129 571 T HA 0.146 4.555 4.350 0.099 0.000 0.251 571 T C 1.029 175.739 174.700 0.017 0.000 1.117 571 T CA 0.174 62.312 62.100 0.064 0.000 1.034 571 T CB -0.527 68.460 68.868 0.199 0.000 0.968 571 T HN 0.376 nan 8.240 nan 0.000 0.526 572 L N -1.053 120.169 121.223 -0.003 0.000 5.081 572 L HA -0.250 4.150 4.340 0.099 0.000 0.423 572 L C 1.387 178.302 176.870 0.074 0.000 1.019 572 L CA 1.369 56.179 54.840 -0.050 0.000 1.223 572 L CB -2.098 39.773 42.059 -0.313 0.000 1.940 572 L HN 0.373 nan 8.230 nan 0.000 0.675 573 E N -0.683 119.618 120.200 0.168 0.000 2.371 573 E HA -0.125 4.284 4.350 0.099 0.000 0.194 573 E C 1.666 178.415 176.600 0.248 0.000 1.012 573 E CA 0.874 57.458 56.400 0.306 0.000 0.860 573 E CB 0.029 29.924 29.700 0.325 0.000 0.811 573 E HN 0.635 nan 8.360 nan 0.000 0.502 574 Y N 1.811 122.123 120.300 0.020 0.000 2.097 574 Y HA -0.163 4.446 4.550 0.098 0.000 0.282 574 Y C -0.926 174.940 175.900 -0.056 0.000 1.152 574 Y CA 1.794 59.849 58.100 -0.077 0.000 1.136 574 Y CB -0.868 37.424 38.460 -0.279 0.000 0.975 574 Y HN 0.044 nan 8.280 nan 0.000 0.498 575 P HA -0.181 nan 4.420 nan 0.000 0.215 575 P C 1.008 178.199 177.300 -0.182 0.000 1.157 575 P CA 2.227 65.336 63.100 0.014 0.000 0.874 575 P CB -0.000 31.734 31.700 0.057 0.000 0.790 576 N N -1.568 116.941 118.700 -0.317 0.000 2.300 576 N HA -0.065 4.734 4.740 0.099 0.000 0.179 576 N C 1.617 176.869 175.510 -0.429 0.000 1.016 576 N CA 0.853 53.520 53.050 -0.637 0.000 0.876 576 N CB -0.709 36.842 38.487 -1.561 0.000 0.979 576 N HN 0.096 nan 8.380 nan 0.000 0.432 577 M N 0.467 119.995 119.600 -0.120 0.000 2.086 577 M HA -0.007 4.532 4.480 0.099 0.000 0.261 577 M C 1.724 177.930 176.300 -0.157 0.000 1.067 577 M CA 1.268 56.592 55.300 0.040 0.000 1.116 577 M CB -0.159 32.468 32.600 0.045 0.000 1.348 577 M HN -0.059 nan 8.290 nan 0.000 0.407 578 M N -0.470 118.933 119.600 -0.329 0.000 2.159 578 M HA -0.158 4.381 4.480 0.099 0.000 0.263 578 M C 2.164 178.374 176.300 -0.151 0.000 1.063 578 M CA 1.728 56.841 55.300 -0.310 0.000 1.110 578 M CB -1.228 31.112 32.600 -0.432 0.000 1.374 578 M HN 0.310 nan 8.290 nan 0.000 0.411 579 R N -0.732 119.675 120.500 -0.155 0.000 2.092 579 R HA -0.135 4.264 4.340 0.099 0.000 0.231 579 R C 2.304 178.571 176.300 -0.054 0.000 1.119 579 R CA 1.158 57.197 56.100 -0.102 0.000 0.970 579 R CB -0.334 29.880 30.300 -0.143 0.000 0.864 579 R HN 0.157 nan 8.270 nan 0.000 0.440 580 R N 1.429 121.885 120.500 -0.074 0.000 2.070 580 R HA -0.060 4.339 4.340 0.099 0.000 0.233 580 R C 1.988 178.259 176.300 -0.048 0.000 1.137 580 R CA 1.527 57.604 56.100 -0.039 0.000 0.945 580 R CB -0.770 29.546 30.300 0.027 0.000 0.845 580 R HN 0.175 nan 8.270 nan 0.000 0.430 581 L N -0.043 121.151 121.223 -0.049 0.000 2.042 581 L HA -0.244 4.155 4.340 0.099 0.000 0.210 581 L C 2.729 179.570 176.870 -0.049 0.000 1.076 581 L CA 1.888 56.698 54.840 -0.051 0.000 0.749 581 L CB -0.864 41.160 42.059 -0.057 0.000 0.893 581 L HN 0.470 nan 8.230 nan 0.000 0.432 582 H N 0.906 119.906 119.070 -0.117 0.000 2.321 582 H HA -0.178 4.437 4.556 0.099 0.000 0.300 582 H C 1.960 177.160 175.328 -0.214 0.000 1.087 582 H CA 2.048 58.024 56.048 -0.121 0.000 1.319 582 H CB 0.208 29.913 29.762 -0.094 0.000 1.379 582 H HN 0.456 nan 8.280 nan 0.000 0.501 583 E N 0.376 120.469 120.200 -0.177 0.000 2.153 583 E HA -0.108 4.301 4.350 0.099 0.000 0.194 583 E C 2.327 178.634 176.600 -0.489 0.000 0.988 583 E CA 0.704 56.924 56.400 -0.300 0.000 0.811 583 E CB 0.061 29.677 29.700 -0.139 0.000 0.746 583 E HN 0.449 nan 8.360 nan 0.000 0.466 584 L N 0.332 121.368 121.223 -0.312 0.000 2.599 584 L HA 0.019 4.418 4.340 0.099 0.000 0.230 584 L C -0.072 176.693 176.870 -0.174 0.000 1.141 584 L CA 0.102 54.809 54.840 -0.221 0.000 0.877 584 L CB -0.298 41.703 42.059 -0.096 0.000 1.009 584 L HN 0.302 nan 8.230 nan 0.000 0.447 585 H N -2.046 116.950 119.070 -0.124 0.000 2.903 585 H HA -0.102 4.513 4.556 0.098 0.000 0.285 585 H C 0.002 175.286 175.328 -0.074 0.000 1.231 585 H CA 0.129 56.103 56.048 -0.123 0.000 1.135 585 H CB -2.153 27.549 29.762 -0.099 0.000 1.328 585 H HN 0.047 nan 8.280 nan 0.000 0.388 586 V N 1.152 121.067 119.914 0.001 0.000 2.555 586 V HA 0.072 4.252 4.120 0.099 0.000 0.286 586 V C 1.080 177.180 176.094 0.010 0.000 1.044 586 V CA 0.036 62.339 62.300 0.005 0.000 1.026 586 V CB 1.792 33.603 31.823 -0.019 0.000 0.981 586 V HN 0.353 nan 8.190 nan 0.000 0.480 587 E N 4.194 124.401 120.200 0.013 0.000 2.301 587 E HA 0.371 4.780 4.350 0.099 0.000 0.275 587 E C -0.653 175.950 176.600 0.005 0.000 1.030 587 E CA -0.509 55.898 56.400 0.013 0.000 0.852 587 E CB 1.001 30.706 29.700 0.008 0.000 1.060 587 E HN 0.753 nan 8.360 nan 0.000 0.401 588 E N 3.407 123.615 120.200 0.014 0.000 2.199 588 E HA 0.344 4.754 4.350 0.099 0.000 0.265 588 E C -1.182 175.425 176.600 0.012 0.000 0.882 588 E CA -0.639 55.771 56.400 0.016 0.000 0.759 588 E CB 1.723 31.444 29.700 0.036 0.000 1.148 588 E HN 0.389 nan 8.360 nan 0.000 0.412 589 L N 2.957 124.177 121.223 -0.005 0.000 2.324 589 L HA 0.454 4.854 4.340 0.099 0.000 0.274 589 L C 0.242 177.148 176.870 0.060 0.000 1.012 589 L CA -0.286 54.536 54.840 -0.030 0.000 0.859 589 L CB 1.243 43.209 42.059 -0.155 0.000 1.224 589 L HN 0.606 nan 8.230 nan 0.000 0.429 590 G N 0.628 109.508 108.800 0.133 0.000 2.528 590 G HA2 0.331 4.350 3.960 0.099 0.000 0.289 590 G HA3 0.331 4.350 3.960 0.099 0.000 0.289 590 G C -0.176 174.867 174.900 0.238 0.000 1.192 590 G CA -0.306 44.898 45.100 0.173 0.000 0.921 590 G HN 0.682 nan 8.290 nan 0.000 0.512 591 D N -1.139 119.332 120.400 0.119 0.000 2.911 591 D HA -0.133 4.566 4.640 0.099 0.000 0.227 591 D C -0.082 176.051 176.300 -0.278 0.000 1.164 591 D CA 1.457 55.422 54.000 -0.059 0.000 0.782 591 D CB -1.417 39.399 40.800 0.027 0.000 1.094 591 D HN 0.551 nan 8.370 nan 0.000 0.425 592 H N -1.590 117.386 119.070 -0.156 0.000 2.717 592 H HA 0.696 5.309 4.556 0.096 0.000 0.366 592 H C -0.515 174.667 175.328 -0.242 0.000 1.132 592 H CA -0.593 55.299 56.048 -0.260 0.000 1.180 592 H CB 1.269 30.917 29.762 -0.189 0.000 1.678 592 H HN -0.049 nan 8.280 nan 0.000 0.537 593 F N 0.371 119.888 119.950 -0.722 0.000 2.740 593 F HA 0.580 5.170 4.527 0.104 0.000 0.357 593 F C -0.848 174.578 175.800 -0.624 0.000 1.141 593 F CA -1.400 56.224 58.000 -0.627 0.000 1.044 593 F CB 1.488 40.168 39.000 -0.533 0.000 1.430 593 F HN 0.604 nan 8.300 nan 0.000 0.518 594 C N 1.801 120.527 119.300 -0.958 0.000 2.340 594 C HA 0.557 5.076 4.460 0.099 0.000 0.323 594 C C 0.804 175.702 174.990 -0.153 0.000 1.260 594 C CA 0.253 58.962 59.018 -0.515 0.000 1.464 594 C CB -0.204 27.180 27.740 -0.593 0.000 2.156 594 C HN 0.798 nan 8.230 nan 0.000 0.476 595 S N 4.377 120.138 115.700 0.101 0.000 2.503 595 S HA 0.204 4.733 4.470 0.099 0.000 0.217 595 S C 0.420 175.031 174.600 0.019 0.000 0.999 595 S CA -0.178 58.097 58.200 0.126 0.000 0.914 595 S CB -0.087 63.218 63.200 0.175 0.000 0.782 595 S HN 0.968 nan 8.310 nan 0.000 0.520 596 R N -0.578 119.895 120.500 -0.045 0.000 2.728 596 R HA 0.676 5.075 4.340 0.099 0.000 0.274 596 R C -2.164 174.168 176.300 0.054 0.000 1.032 596 R CA -0.962 55.147 56.100 0.015 0.000 0.866 596 R CB 0.477 30.822 30.300 0.075 0.000 1.263 596 R HN 0.173 nan 8.270 nan 0.000 0.475 597 I N 0.487 121.146 120.570 0.148 0.000 2.730 597 I HA 0.454 4.683 4.170 0.099 0.000 0.298 597 I C -0.542 175.739 176.117 0.274 0.000 1.089 597 I CA -0.792 60.650 61.300 0.237 0.000 1.041 597 I CB 2.605 40.702 38.000 0.162 0.000 1.235 597 I HN 0.642 nan 8.210 nan 0.000 0.423 598 E N 4.327 124.716 120.200 0.316 0.000 2.445 598 E HA 0.424 4.834 4.350 0.099 0.000 0.273 598 E C -2.646 174.031 176.600 0.129 0.000 0.961 598 E CA -2.149 54.356 56.400 0.175 0.000 0.807 598 E CB 1.725 31.476 29.700 0.084 0.000 1.362 598 E HN 0.215 nan 8.360 nan 0.000 0.453 599 P HA -0.030 nan 4.420 nan 0.000 0.260 599 P C 0.445 177.630 177.300 -0.190 0.000 1.185 599 P CA 1.435 64.533 63.100 -0.003 0.000 0.763 599 P CB 0.075 31.763 31.700 -0.020 0.000 0.776 600 G N 2.662 111.183 108.800 -0.465 0.000 2.189 600 G HA2 -0.265 3.754 3.960 0.099 0.000 0.267 600 G HA3 -0.265 3.754 3.960 0.099 0.000 0.267 600 G C 0.066 174.289 174.900 -1.128 0.000 0.975 600 G CA 0.207 44.753 45.100 -0.924 0.000 0.644 600 G HN 0.758 nan 8.290 nan 0.000 0.537 601 R N -1.053 118.964 120.500 -0.805 0.000 2.710 601 R HA 0.788 5.187 4.340 0.099 0.000 0.270 601 R C -0.420 176.116 176.300 0.392 0.000 1.021 601 R CA -0.787 55.195 56.100 -0.197 0.000 0.889 601 R CB 1.172 31.461 30.300 -0.019 0.000 1.243 601 R HN 0.758 nan 8.270 nan 0.000 0.464 602 M N -0.730 119.200 119.600 0.551 0.000 2.470 602 M HA 0.483 5.023 4.480 0.099 0.000 0.285 602 M C -1.355 174.894 176.300 -0.085 0.000 1.213 602 M CA -0.869 54.644 55.300 0.356 0.000 0.901 602 M CB 2.871 35.660 32.600 0.314 0.000 1.718 602 M HN 0.729 nan 8.290 nan 0.000 0.469 603 E N 3.588 123.430 120.200 -0.597 0.000 2.174 603 E HA 0.674 5.083 4.350 0.099 0.000 0.282 603 E C -1.332 175.066 176.600 -0.338 0.000 0.992 603 E CA -0.707 55.168 56.400 -0.876 0.000 0.803 603 E CB 1.338 30.276 29.700 -1.271 0.000 1.090 603 E HN 0.725 nan 8.360 nan 0.000 0.396 604 I N 1.478 121.904 120.570 -0.240 0.000 2.957 604 I HA 0.675 4.904 4.170 0.099 0.000 0.310 604 I C -1.337 174.733 176.117 -0.079 0.000 1.063 604 I CA -1.137 60.070 61.300 -0.155 0.000 1.033 604 I CB 1.688 39.609 38.000 -0.132 0.000 1.230 604 I HN 0.535 nan 8.210 nan 0.000 0.447 605 Y N 1.012 121.217 120.300 -0.160 0.000 2.544 605 Y HA 0.498 5.105 4.550 0.095 0.000 0.342 605 Y C -1.269 174.444 175.900 -0.312 0.000 1.062 605 Y CA -1.228 56.674 58.100 -0.331 0.000 1.023 605 Y CB 0.807 38.816 38.460 -0.752 0.000 1.308 605 Y HN 0.707 nan 8.280 nan 0.000 0.457 606 N N 3.700 122.221 118.700 -0.299 0.000 2.458 606 N HA 0.106 4.905 4.740 0.099 0.000 0.270 606 N C 1.030 176.342 175.510 -0.329 0.000 1.102 606 N CA -0.085 52.571 53.050 -0.657 0.000 0.967 606 N CB 1.110 39.378 38.487 -0.365 0.000 1.078 606 N HN 1.023 nan 8.380 nan 0.000 0.471 607 I N 0.438 120.681 120.570 -0.544 0.000 2.916 607 I HA -0.005 4.225 4.170 0.099 0.000 0.267 607 I C 0.182 175.907 176.117 -0.654 0.000 1.263 607 I CA 0.648 61.606 61.300 -0.570 0.000 1.471 607 I CB -0.175 37.318 38.000 -0.845 0.000 1.089 607 I HN 0.411 nan 8.210 nan 0.000 0.468 608 W N 1.266 122.541 121.300 -0.041 0.000 3.067 608 W HA 0.471 5.193 4.660 0.104 0.000 0.417 608 W C 2.002 178.514 176.519 -0.012 0.000 1.029 608 W CA -0.336 56.996 57.345 -0.021 0.000 1.992 608 W CB 0.517 29.960 29.460 -0.028 0.000 1.122 608 W HN 0.050 nan 8.180 nan 0.000 0.681 609 G N -0.146 108.727 108.800 0.122 0.000 2.712 609 G HA2 -0.102 3.917 3.960 0.099 0.000 0.212 609 G HA3 -0.102 3.917 3.960 0.099 0.000 0.212 609 G C 0.425 175.376 174.900 0.085 0.000 1.142 609 G CA 0.032 45.184 45.100 0.088 0.000 0.789 609 G HN 0.063 nan 8.290 nan 0.000 0.535 610 D N 0.763 121.218 120.400 0.092 0.000 2.357 610 D HA 0.276 4.976 4.640 0.099 0.000 0.242 610 D C 0.954 177.305 176.300 0.085 0.000 1.153 610 D CA 0.123 54.169 54.000 0.076 0.000 0.918 610 D CB 1.331 42.172 40.800 0.069 0.000 1.181 610 D HN 0.078 nan 8.370 nan 0.000 0.435 611 G N -0.288 108.548 108.800 0.061 0.000 2.491 611 G HA2 0.096 4.115 3.960 0.099 0.000 0.238 611 G HA3 0.096 4.115 3.960 0.099 0.000 0.238 611 G C 1.139 176.072 174.900 0.055 0.000 1.277 611 G CA -0.129 45.002 45.100 0.053 0.000 0.851 611 G HN 0.396 nan 8.290 nan 0.000 0.573 612 S N 0.678 116.404 115.700 0.044 0.000 2.453 612 S HA 0.007 4.536 4.470 0.099 0.000 0.231 612 S C 0.882 175.497 174.600 0.026 0.000 1.005 612 S CA 0.656 58.875 58.200 0.032 0.000 0.949 612 S CB 0.013 63.221 63.200 0.013 0.000 0.774 612 S HN 0.526 nan 8.310 nan 0.000 0.510 613 K N 1.932 122.348 120.400 0.026 0.000 2.234 613 K HA 0.327 4.707 4.320 0.099 0.000 0.277 613 K C -0.315 176.303 176.600 0.031 0.000 1.038 613 K CA -0.508 55.793 56.287 0.024 0.000 0.888 613 K CB 1.318 33.830 32.500 0.020 0.000 1.091 613 K HN 0.204 nan 8.250 nan 0.000 0.467 614 R N 2.602 123.123 120.500 0.034 0.000 2.254 614 R HA 0.223 4.622 4.340 0.099 0.000 0.318 614 R C -0.926 175.404 176.300 0.051 0.000 1.031 614 R CA -0.021 56.106 56.100 0.045 0.000 0.905 614 R CB 0.790 31.118 30.300 0.048 0.000 1.050 614 R HN 0.604 nan 8.270 nan 0.000 0.456 615 T N 2.686 117.275 114.554 0.059 0.000 2.930 615 T HA 0.174 4.583 4.350 0.099 0.000 0.290 615 T C -0.949 173.830 174.700 0.131 0.000 1.052 615 T CA -0.561 61.585 62.100 0.078 0.000 1.017 615 T CB 1.077 69.974 68.868 0.048 0.000 1.137 615 T HN 0.559 nan 8.240 nan 0.000 0.511 616 Y N 1.530 121.834 120.300 0.006 0.000 2.531 616 Y HA 0.251 4.861 4.550 0.100 0.000 0.347 616 Y C 1.221 177.124 175.900 0.005 0.000 1.024 616 Y CA -0.280 57.823 58.100 0.006 0.000 1.306 616 Y CB 0.161 38.624 38.460 0.005 0.000 1.149 616 Y HN 0.525 nan 8.280 nan 0.000 0.527 617 R N 4.187 124.440 120.500 -0.411 0.000 2.509 617 R HA 0.269 4.668 4.340 0.099 0.000 0.300 617 R C 0.660 176.650 176.300 -0.516 0.000 0.985 617 R CA 0.257 56.142 56.100 -0.357 0.000 1.092 617 R CB 0.529 30.733 30.300 -0.161 0.000 1.237 617 R HN 0.965 nan 8.270 nan 0.000 0.546 618 G N 2.559 110.698 108.800 -1.101 0.000 2.782 618 G HA2 -0.218 3.801 3.960 0.099 0.000 0.228 618 G HA3 -0.218 3.801 3.960 0.099 0.000 0.228 618 G C -2.547 172.191 174.900 -0.271 0.000 1.372 618 G CA -1.063 43.586 45.100 -0.751 0.000 0.862 618 G HN 0.078 nan 8.290 nan 0.000 0.547 619 P HA 0.434 nan 4.420 nan 0.000 0.275 619 P C 0.969 178.249 177.300 -0.033 0.000 1.228 619 P CA 1.511 64.605 63.100 -0.011 0.000 0.786 619 P CB 0.878 32.591 31.700 0.022 0.000 0.927 620 G N 0.103 108.895 108.800 -0.013 0.000 2.175 620 G HA2 -0.151 3.869 3.960 0.099 0.000 0.244 620 G HA3 -0.151 3.869 3.960 0.099 0.000 0.244 620 G C -0.288 174.598 174.900 -0.022 0.000 0.982 620 G CA -0.079 45.013 45.100 -0.013 0.000 0.641 620 G HN 0.612 nan 8.290 nan 0.000 0.527 621 V N 0.715 120.609 119.914 -0.032 0.000 2.638 621 V HA 0.809 4.989 4.120 0.099 0.000 0.306 621 V C 0.814 176.893 176.094 -0.025 0.000 1.052 621 V CA -0.083 62.195 62.300 -0.038 0.000 0.885 621 V CB 1.545 33.330 31.823 -0.064 0.000 0.999 621 V HN 1.138 nan 8.190 nan 0.000 0.424 622 S N 6.246 121.937 115.700 -0.015 0.000 2.552 622 S HA 0.264 4.794 4.470 0.099 0.000 0.289 622 S C -0.816 173.785 174.600 0.001 0.000 1.304 622 S CA -0.581 57.619 58.200 -0.000 0.000 1.063 622 S CB 0.029 nan 63.200 nan 0.000 0.848 622 S HN 0.666 nan 8.310 nan 0.000 0.499 623 P HA 0.051 nan 4.420 nan 0.000 0.245 623 P C -0.248 177.070 177.300 0.030 0.000 1.212 623 P CA 0.447 63.567 63.100 0.033 0.000 0.774 623 P CB 0.237 31.982 31.700 0.075 0.000 0.999 624 R N -0.215 120.300 120.500 0.025 0.000 2.854 624 R HA 0.350 4.749 4.340 0.099 0.000 0.271 624 R C -0.393 175.919 176.300 0.020 0.000 0.994 624 R CA -1.019 55.098 56.100 0.028 0.000 0.945 624 R CB 0.844 31.167 30.300 0.040 0.000 1.194 624 R HN -0.123 nan 8.270 nan 0.000 0.476 625 D N 1.200 121.614 120.400 0.023 0.000 2.478 625 D HA 0.059 4.758 4.640 0.099 0.000 0.234 625 D C 0.053 176.368 176.300 0.024 0.000 1.154 625 D CA 0.515 54.528 54.000 0.021 0.000 0.874 625 D CB 0.590 41.405 40.800 0.025 0.000 1.198 625 D HN 0.546 nan 8.370 nan 0.000 0.455 626 A N 2.231 125.063 122.820 0.019 0.000 2.425 626 A HA 0.080 4.459 4.320 0.099 0.000 0.242 626 A C 0.602 178.211 177.584 0.042 0.000 1.077 626 A CA -0.336 51.714 52.037 0.020 0.000 0.781 626 A CB 0.174 19.178 19.000 0.007 0.000 1.020 626 A HN 0.492 nan 8.150 nan 0.000 0.494 627 N N 0.686 119.419 118.700 0.055 0.000 2.430 627 N HA 0.178 4.977 4.740 0.099 0.000 0.265 627 N C 0.517 176.127 175.510 0.167 0.000 1.100 627 N CA 0.636 53.736 53.050 0.084 0.000 0.961 627 N CB 0.775 39.284 38.487 0.036 0.000 1.075 627 N HN 0.638 nan 8.380 nan 0.000 0.478 628 T N -0.904 113.736 114.554 0.143 0.000 3.228 628 T HA 0.063 4.472 4.350 0.099 0.000 0.278 628 T C 1.117 175.930 174.700 0.187 0.000 1.014 628 T CA -0.130 62.075 62.100 0.175 0.000 0.904 628 T CB -0.587 68.338 68.868 0.095 0.000 1.110 628 T HN 0.337 nan 8.240 nan 0.000 0.541 629 S N 0.077 115.866 115.700 0.149 0.000 2.603 629 S HA 0.068 4.597 4.470 0.099 0.000 0.220 629 S C 0.324 174.972 174.600 0.079 0.000 0.967 629 S CA -0.368 57.884 58.200 0.087 0.000 0.920 629 S CB -0.875 62.345 63.200 0.034 0.000 0.773 629 S HN 0.680 nan 8.310 nan 0.000 0.529 630 H N 3.311 122.412 119.070 0.052 0.000 3.001 630 H HA 0.466 5.089 4.556 0.111 0.000 0.334 630 H C 0.800 176.110 175.328 -0.029 0.000 1.034 630 H CA 0.565 56.617 56.048 0.007 0.000 1.420 630 H CB 0.327 30.058 29.762 -0.052 0.000 1.405 630 H HN 0.565 nan 8.280 nan 0.000 0.593 631 R N 1.507 122.004 120.500 -0.004 0.000 2.734 631 R HA 0.382 4.782 4.340 0.099 0.000 0.271 631 R C -1.744 174.460 176.300 -0.161 0.000 1.021 631 R CA -1.143 54.952 56.100 -0.009 0.000 0.893 631 R CB 1.176 31.516 30.300 0.066 0.000 1.244 631 R HN 0.432 nan 8.270 nan 0.000 0.464 632 W N 2.515 123.852 121.300 0.060 0.000 2.390 632 W HA 0.531 5.187 4.660 -0.008 0.000 0.312 632 W C 0.332 176.866 176.519 0.025 0.000 1.123 632 W CA -0.542 56.827 57.345 0.041 0.000 1.202 632 W CB 1.243 30.715 29.460 0.020 0.000 1.251 632 W HN 0.511 nan 8.180 nan 0.000 0.511 633 I N -0.630 120.081 120.570 0.234 0.000 2.603 633 I HA 0.603 4.833 4.170 0.099 0.000 0.300 633 I C -0.307 175.915 176.117 0.175 0.000 1.017 633 I CA -1.225 60.174 61.300 0.165 0.000 1.098 633 I CB 1.944 40.001 38.000 0.096 0.000 1.279 633 I HN 0.341 nan 8.210 nan 0.000 0.437 634 E N 3.593 123.848 120.200 0.092 0.000 2.283 634 E HA 0.635 5.044 4.350 0.099 0.000 0.267 634 E C -1.408 175.237 176.600 0.075 0.000 1.045 634 E CA -0.553 55.831 56.400 -0.026 0.000 0.884 634 E CB 1.831 31.494 29.700 -0.061 0.000 1.106 634 E HN 0.566 nan 8.360 nan 0.000 0.408 635 F N -1.573 118.396 119.950 0.031 0.000 2.668 635 F HA 0.407 4.990 4.527 0.093 0.000 0.309 635 F C -0.125 175.683 175.800 0.014 0.000 1.117 635 F CA -1.007 57.003 58.000 0.016 0.000 0.951 635 F CB 0.885 39.889 39.000 0.006 0.000 1.323 635 F HN 0.196 nan 8.300 nan 0.000 0.451 636 D N 0.300 120.864 120.400 0.273 0.000 2.262 636 D HA 0.129 4.829 4.640 0.099 0.000 0.212 636 D C 0.000 176.501 176.300 0.335 0.000 0.964 636 D CA 0.956 55.081 54.000 0.209 0.000 0.875 636 D CB 0.592 41.468 40.800 0.126 0.000 0.996 636 D HN 0.371 nan 8.370 nan 0.000 0.497 637 S N -0.048 115.837 115.700 0.309 0.000 2.549 637 S HA 0.525 5.054 4.470 0.099 0.000 0.280 637 S C -1.243 173.243 174.600 -0.191 0.000 1.109 637 S CA -0.705 57.571 58.200 0.126 0.000 0.905 637 S CB 2.551 65.754 63.200 0.005 0.000 1.081 637 S HN 0.059 nan 8.310 nan 0.000 0.477 638 L N 3.397 124.337 121.223 -0.471 0.000 2.325 638 L HA 0.722 5.122 4.340 0.099 0.000 0.281 638 L C -1.386 175.265 176.870 -0.365 0.000 1.004 638 L CA -0.421 53.992 54.840 -0.711 0.000 0.823 638 L CB 1.309 42.628 42.059 -1.234 0.000 1.236 638 L HN 0.434 nan 8.230 nan 0.000 0.415 639 V N 6.554 126.292 119.914 -0.293 0.000 2.370 639 V HA 0.402 4.581 4.120 0.099 0.000 0.283 639 V C 0.043 176.020 176.094 -0.195 0.000 1.023 639 V CA -0.506 61.663 62.300 -0.218 0.000 0.857 639 V CB 1.364 33.060 31.823 -0.212 0.000 0.985 639 V HN 0.608 nan 8.190 nan 0.000 0.443 640 L N 5.655 126.789 121.223 -0.148 0.000 2.257 640 L HA 0.481 4.881 4.340 0.099 0.000 0.290 640 L C -0.191 176.636 176.870 -0.072 0.000 1.044 640 L CA -0.355 54.433 54.840 -0.086 0.000 0.810 640 L CB 1.364 43.406 42.059 -0.029 0.000 1.193 640 L HN 0.412 nan 8.230 nan 0.000 0.425 641 V N 1.869 121.749 119.914 -0.056 0.000 2.446 641 V HA 0.084 4.263 4.120 0.099 0.000 0.257 641 V C 0.994 177.192 176.094 0.172 0.000 1.036 641 V CA 0.086 62.340 62.300 -0.077 0.000 1.196 641 V CB 0.451 32.119 31.823 -0.260 0.000 1.446 641 V HN 0.949 nan 8.190 nan 0.000 0.558 642 T N -2.347 112.375 114.554 0.281 0.000 3.014 642 T HA 0.587 4.997 4.350 0.099 0.000 0.250 642 T C 0.833 175.686 174.700 0.255 0.000 1.060 642 T CA 0.586 62.848 62.100 0.271 0.000 1.040 642 T CB 1.155 70.181 68.868 0.264 0.000 0.971 642 T HN 0.999 nan 8.240 nan 0.000 0.497 643 G N 0.316 109.308 108.800 0.321 0.000 2.343 643 G HA2 0.443 4.463 3.960 0.099 0.000 0.289 643 G HA3 0.443 4.463 3.960 0.099 0.000 0.289 643 G C -1.972 172.833 174.900 -0.157 0.000 1.295 643 G CA -1.222 43.926 45.100 0.080 0.000 0.869 643 G HN 0.357 nan 8.290 nan 0.000 0.522 644 R N -0.175 120.107 120.500 -0.364 0.000 2.854 644 R HA 0.645 5.044 4.340 0.099 0.000 0.271 644 R C -0.743 175.440 176.300 -0.195 0.000 0.996 644 R CA -1.023 54.787 56.100 -0.483 0.000 0.961 644 R CB 1.964 31.751 30.300 -0.856 0.000 1.182 644 R HN 0.846 nan 8.270 nan 0.000 0.479 645 H N -1.417 117.532 119.070 -0.201 0.000 2.690 645 H HA 0.389 5.004 4.556 0.100 0.000 0.368 645 H C -0.932 174.321 175.328 -0.125 0.000 1.150 645 H CA -0.840 55.133 56.048 -0.125 0.000 1.174 645 H CB 1.459 31.184 29.762 -0.061 0.000 1.684 645 H HN 0.316 nan 8.280 nan 0.000 0.538 646 S N 1.420 117.094 115.700 -0.044 0.000 2.549 646 S HA -0.060 4.470 4.470 0.099 0.000 0.286 646 S C 0.527 175.130 174.600 0.005 0.000 1.314 646 S CA -0.113 58.045 58.200 -0.071 0.000 1.062 646 S CB 0.163 63.335 63.200 -0.046 0.000 0.865 646 S HN 0.628 nan 8.310 nan 0.000 0.498 647 E N 1.971 122.146 120.200 -0.042 0.000 1.893 647 E HA 0.192 4.601 4.350 0.099 0.000 0.269 647 E C 0.127 176.757 176.600 0.050 0.000 1.129 647 E CA -0.670 55.749 56.400 0.032 0.000 0.904 647 E CB -0.638 29.063 29.700 0.001 0.000 1.077 647 E HN 0.642 nan 8.360 nan 0.000 0.407 648 C N 1.906 121.263 119.300 0.094 0.000 2.969 648 C HA 0.412 4.931 4.460 0.099 0.000 0.260 648 C C 1.444 176.560 174.990 0.210 0.000 1.618 648 C CA -0.293 58.812 59.018 0.144 0.000 1.774 648 C CB -0.852 26.952 27.740 0.107 0.000 3.063 648 C HN 0.534 nan 8.230 nan 0.000 0.506 649 T N 1.599 116.241 114.554 0.147 0.000 2.708 649 T HA -0.152 4.257 4.350 0.099 0.000 0.266 649 T C 1.827 176.606 174.700 0.132 0.000 1.037 649 T CA 1.943 64.117 62.100 0.123 0.000 1.146 649 T CB -0.227 68.695 68.868 0.089 0.000 0.865 649 T HN 0.661 nan 8.240 nan 0.000 0.435 650 L N 0.208 121.513 121.223 0.136 0.000 2.017 650 L HA -0.104 4.295 4.340 0.099 0.000 0.208 650 L C 2.495 179.466 176.870 0.168 0.000 1.073 650 L CA 1.604 56.518 54.840 0.123 0.000 0.745 650 L CB -0.379 41.740 42.059 0.102 0.000 0.894 650 L HN 0.567 nan 8.230 nan 0.000 0.432 651 W N 1.324 122.643 121.300 0.032 0.000 2.335 651 W HA -0.281 4.438 4.660 0.098 0.000 0.311 651 W C 1.990 178.558 176.519 0.082 0.000 1.213 651 W CA 2.166 59.542 57.345 0.052 0.000 1.274 651 W CB -0.620 28.867 29.460 0.046 0.000 1.148 651 W HN 0.339 nan 8.180 nan 0.000 0.498 652 N N 0.236 119.012 118.700 0.126 0.000 2.104 652 N HA -0.226 4.574 4.740 0.099 0.000 0.190 652 N C 1.644 177.116 175.510 -0.064 0.000 1.024 652 N CA 1.802 54.850 53.050 -0.004 0.000 0.853 652 N CB -0.390 38.157 38.487 0.099 0.000 1.008 652 N HN 0.319 nan 8.380 nan 0.000 0.424 653 E N 0.801 120.998 120.200 -0.004 0.000 2.072 653 E HA -0.117 4.293 4.350 0.099 0.000 0.191 653 E C 2.080 178.676 176.600 -0.006 0.000 0.985 653 E CA 0.653 57.052 56.400 -0.001 0.000 0.801 653 E CB -0.014 29.702 29.700 0.026 0.000 0.750 653 E HN 0.340 nan 8.360 nan 0.000 0.452 654 L N 1.060 122.282 121.223 -0.001 0.000 2.017 654 L HA -0.196 4.203 4.340 0.099 0.000 0.208 654 L C 2.412 179.369 176.870 0.145 0.000 1.073 654 L CA 0.959 55.866 54.840 0.111 0.000 0.745 654 L CB -0.309 41.780 42.059 0.049 0.000 0.894 654 L HN -0.005 nan 8.230 nan 0.000 0.432 655 K N 0.245 120.543 120.400 -0.170 0.000 2.103 655 K HA -0.126 4.253 4.320 0.099 0.000 0.207 655 K C 2.106 178.536 176.600 -0.283 0.000 1.048 655 K CA 1.511 57.592 56.287 -0.343 0.000 0.930 655 K CB -0.571 31.596 32.500 -0.556 0.000 0.716 655 K HN 0.299 nan 8.250 nan 0.000 0.444 656 A N 1.193 123.909 122.820 -0.175 0.000 2.125 656 A HA -0.120 4.259 4.320 0.099 0.000 0.219 656 A C 1.624 179.126 177.584 -0.136 0.000 1.156 656 A CA 1.063 53.021 52.037 -0.133 0.000 0.671 656 A CB -0.189 18.766 19.000 -0.075 0.000 0.794 656 A HN 0.249 nan 8.150 nan 0.000 0.459 657 R N -1.027 119.400 120.500 -0.121 0.000 2.586 657 R HA 0.174 4.573 4.340 0.099 0.000 0.336 657 R C 1.125 177.262 176.300 -0.270 0.000 1.060 657 R CA 0.144 56.186 56.100 -0.097 0.000 1.079 657 R CB 0.105 30.421 30.300 0.028 0.000 1.317 657 R HN 0.671 nan 8.270 nan 0.000 0.568 658 E N 1.230 121.054 120.200 -0.627 0.000 2.160 658 E HA -0.206 4.203 4.350 0.099 0.000 0.195 658 E C 1.590 177.685 176.600 -0.841 0.000 0.991 658 E CA 1.746 57.274 56.400 -1.452 0.000 0.810 658 E CB 0.182 29.069 29.700 -1.355 0.000 0.742 658 E HN 0.303 nan 8.360 nan 0.000 0.466 659 S N 0.035 115.482 115.700 -0.422 0.000 2.442 659 S HA -0.172 4.357 4.470 0.099 0.000 0.236 659 S C 1.451 175.980 174.600 -0.118 0.000 1.007 659 S CA 1.228 59.294 58.200 -0.224 0.000 0.965 659 S CB -0.196 62.913 63.200 -0.151 0.000 0.773 659 S HN 0.341 nan 8.310 nan 0.000 0.504 660 E N -0.434 119.723 120.200 -0.071 0.000 2.478 660 E HA 0.023 4.432 4.350 0.099 0.000 0.194 660 E C 1.110 177.828 176.600 0.197 0.000 1.045 660 E CA 0.147 56.583 56.400 0.060 0.000 0.868 660 E CB -0.073 29.677 29.700 0.082 0.000 0.885 660 E HN 0.631 nan 8.360 nan 0.000 0.505 661 W N 1.286 122.553 121.300 -0.054 0.000 2.355 661 W HA -0.027 4.692 4.660 0.098 0.000 0.309 661 W C 2.496 178.993 176.519 -0.037 0.000 1.206 661 W CA 0.812 58.124 57.345 -0.054 0.000 1.284 661 W CB -1.216 28.200 29.460 -0.073 0.000 1.145 661 W HN 0.086 nan 8.180 nan 0.000 0.502 662 A N 1.086 124.018 122.820 0.188 0.000 1.902 662 A HA -0.243 4.137 4.320 0.099 0.000 0.217 662 A C 1.942 179.569 177.584 0.072 0.000 1.181 662 A CA 2.129 54.229 52.037 0.106 0.000 0.623 662 A CB -1.016 18.021 19.000 0.062 0.000 0.818 662 A HN 0.529 nan 8.150 nan 0.000 0.443 663 E N -0.692 119.546 120.200 0.063 0.000 2.347 663 E HA -0.121 4.288 4.350 0.099 0.000 0.196 663 E C 0.663 177.287 176.600 0.040 0.000 1.008 663 E CA 0.988 57.412 56.400 0.041 0.000 0.852 663 E CB -0.338 29.380 29.700 0.030 0.000 0.783 663 E HN 0.535 nan 8.360 nan 0.000 0.505 664 N N 1.162 119.896 118.700 0.057 0.000 2.314 664 N HA -0.019 4.780 4.740 0.099 0.000 0.200 664 N C -0.508 175.014 175.510 0.021 0.000 1.135 664 N CA 0.471 53.542 53.050 0.035 0.000 0.835 664 N CB 0.416 38.926 38.487 0.039 0.000 0.989 664 N HN 0.151 nan 8.380 nan 0.000 0.478 665 D N 0.294 120.713 120.400 0.032 0.000 3.076 665 D HA -0.182 4.518 4.640 0.099 0.000 0.218 665 D C -0.139 176.168 176.300 0.012 0.000 1.156 665 D CA 0.640 54.654 54.000 0.022 0.000 0.921 665 D CB -1.424 39.381 40.800 0.009 0.000 1.113 665 D HN 0.387 nan 8.370 nan 0.000 0.418 666 I N 0.750 121.326 120.570 0.010 0.000 2.337 666 I HA 0.043 4.273 4.170 0.099 0.000 0.291 666 I C 1.560 177.690 176.117 0.021 0.000 1.046 666 I CA -0.078 61.193 61.300 -0.048 0.000 1.324 666 I CB 0.949 38.836 38.000 -0.188 0.000 1.409 666 I HN -0.236 nan 8.210 nan 0.000 0.494 667 K N 3.968 124.371 120.400 0.004 0.000 2.305 667 K HA 0.240 4.619 4.320 0.099 0.000 0.199 667 K C 0.705 177.349 176.600 0.075 0.000 1.047 667 K CA 0.051 56.376 56.287 0.064 0.000 0.976 667 K CB 0.323 32.864 32.500 0.068 0.000 0.765 667 K HN 0.812 nan 8.250 nan 0.000 0.474 668 G N 0.157 108.901 108.800 -0.094 0.000 2.655 668 G HA2 0.504 4.523 3.960 0.099 0.000 0.296 668 G HA3 0.504 4.523 3.960 0.099 0.000 0.296 668 G C -1.672 172.736 174.900 -0.820 0.000 1.485 668 G CA -0.802 44.141 45.100 -0.263 0.000 0.869 668 G HN -0.015 nan 8.290 nan 0.000 0.540 669 I N 0.943 120.955 120.570 -0.929 0.000 2.499 669 I HA 0.458 4.687 4.170 0.099 0.000 0.288 669 I C -1.183 174.679 176.117 -0.424 0.000 1.048 669 I CA -0.873 59.922 61.300 -0.842 0.000 1.062 669 I CB 2.164 39.599 38.000 -0.943 0.000 1.238 669 I HN 0.440 nan 8.210 nan 0.000 0.426 670 Y N 5.369 125.797 120.300 0.214 0.000 2.536 670 Y HA 0.642 5.252 4.550 0.099 0.000 0.347 670 Y C -0.608 175.264 175.900 -0.046 0.000 1.000 670 Y CA -1.277 56.917 58.100 0.157 0.000 1.051 670 Y CB 1.645 40.125 38.460 0.032 0.000 1.259 670 Y HN 0.346 nan 8.280 nan 0.000 0.468 671 L N 5.098 126.173 121.223 -0.248 0.000 2.305 671 L HA 0.731 5.130 4.340 0.099 0.000 0.284 671 L C -0.743 175.961 176.870 -0.276 0.000 1.013 671 L CA -0.655 53.858 54.840 -0.544 0.000 0.819 671 L CB 0.622 41.827 42.059 -1.424 0.000 1.227 671 L HN 0.657 nan 8.230 nan 0.000 0.417 672 I N 2.154 122.623 120.570 -0.169 0.000 3.002 672 I HA 1.036 5.266 4.170 0.099 0.000 0.310 672 I C 0.543 176.613 176.117 -0.079 0.000 1.087 672 I CA -0.246 60.996 61.300 -0.098 0.000 1.017 672 I CB 1.840 39.807 38.000 -0.055 0.000 1.226 672 I HN 0.864 nan 8.210 nan 0.000 0.443 673 G N 2.965 111.743 108.800 -0.037 0.000 2.553 673 G HA2 -0.242 3.778 3.960 0.099 0.000 0.242 673 G HA3 -0.242 3.778 3.960 0.099 0.000 0.242 673 G C 0.125 174.993 174.900 -0.054 0.000 1.277 673 G CA 0.473 45.564 45.100 -0.015 0.000 0.910 673 G HN 0.818 nan 8.290 nan 0.000 0.576 674 D N 0.511 120.869 120.400 -0.070 0.000 2.218 674 D HA 0.039 4.738 4.640 0.099 0.000 0.204 674 D C 2.666 178.886 176.300 -0.132 0.000 0.976 674 D CA 1.890 55.816 54.000 -0.125 0.000 0.853 674 D CB -0.565 40.120 40.800 -0.191 0.000 0.939 674 D HN 0.852 nan 8.370 nan 0.000 0.481 675 A N 0.758 123.507 122.820 -0.118 0.000 2.015 675 A HA -0.179 4.200 4.320 0.099 0.000 0.219 675 A C 2.109 179.590 177.584 -0.171 0.000 1.163 675 A CA 1.273 53.235 52.037 -0.126 0.000 0.646 675 A CB -0.339 18.595 19.000 -0.110 0.000 0.806 675 A HN 0.207 nan 8.150 nan 0.000 0.448 676 E N -0.710 119.378 120.200 -0.187 0.000 2.046 676 E HA 0.226 4.636 4.350 0.099 0.000 0.190 676 E C 0.320 176.849 176.600 -0.119 0.000 0.982 676 E CA 0.832 57.114 56.400 -0.197 0.000 0.800 676 E CB 0.042 29.638 29.700 -0.173 0.000 0.756 676 E HN 0.544 nan 8.360 nan 0.000 0.449 677 A N 0.584 123.346 122.820 -0.098 0.000 2.565 677 A HA 0.401 4.780 4.320 0.099 0.000 0.298 677 A C -2.852 174.673 177.584 -0.099 0.000 1.062 677 A CA -1.187 50.800 52.037 -0.083 0.000 0.723 677 A CB 1.099 20.066 19.000 -0.054 0.000 1.282 677 A HN -0.097 nan 8.150 nan 0.000 0.400 678 P HA 0.274 nan 4.420 nan 0.000 0.262 678 P C -0.536 176.692 177.300 -0.120 0.000 1.199 678 P CA 0.371 63.365 63.100 -0.177 0.000 0.763 678 P CB 0.350 31.896 31.700 -0.258 0.000 0.790 679 R N 2.504 122.950 120.500 -0.091 0.000 2.892 679 R HA 0.504 4.903 4.340 0.099 0.000 0.265 679 R C 0.091 176.394 176.300 0.004 0.000 1.025 679 R CA -1.486 54.597 56.100 -0.028 0.000 0.982 679 R CB 0.470 30.778 30.300 0.014 0.000 1.185 679 R HN 0.400 nan 8.270 nan 0.000 0.484 680 L N 1.806 123.049 121.223 0.033 0.000 2.499 680 L HA -0.014 4.385 4.340 0.099 0.000 0.281 680 L C 1.988 178.927 176.870 0.114 0.000 1.234 680 L CA 0.143 55.044 54.840 0.101 0.000 0.839 680 L CB 0.164 42.263 42.059 0.067 0.000 1.104 680 L HN 0.563 nan 8.230 nan 0.000 0.500 681 I N 1.620 122.279 120.570 0.148 0.000 2.194 681 I HA -0.346 3.883 4.170 0.099 0.000 0.246 681 I C 2.559 178.707 176.117 0.051 0.000 1.093 681 I CA 1.689 63.035 61.300 0.077 0.000 1.355 681 I CB -0.349 37.625 38.000 -0.043 0.000 1.046 681 I HN 0.887 nan 8.210 nan 0.000 0.413 682 A N 0.348 123.200 122.820 0.054 0.000 1.917 682 A HA -0.277 4.102 4.320 0.099 0.000 0.219 682 A C 1.989 179.663 177.584 0.150 0.000 1.182 682 A CA 2.384 54.478 52.037 0.095 0.000 0.633 682 A CB -0.617 18.420 19.000 0.063 0.000 0.819 682 A HN 0.380 nan 8.150 nan 0.000 0.448 683 D N -0.510 119.964 120.400 0.123 0.000 2.194 683 D HA 0.094 4.793 4.640 0.099 0.000 0.204 683 D C 2.257 178.692 176.300 0.225 0.000 0.964 683 D CA 1.215 55.315 54.000 0.167 0.000 0.846 683 D CB -0.385 40.462 40.800 0.079 0.000 0.962 683 D HN 0.403 nan 8.370 nan 0.000 0.490 684 A N 0.431 123.342 122.820 0.152 0.000 1.908 684 A HA -0.189 4.190 4.320 0.099 0.000 0.218 684 A C 2.340 180.024 177.584 0.167 0.000 1.181 684 A CA 2.140 54.257 52.037 0.134 0.000 0.627 684 A CB -0.979 18.083 19.000 0.103 0.000 0.818 684 A HN 0.203 nan 8.150 nan 0.000 0.445 685 T N -0.648 114.030 114.554 0.207 0.000 2.684 685 T HA -0.179 4.230 4.350 0.099 0.000 0.267 685 T C 1.597 176.447 174.700 0.249 0.000 1.036 685 T CA 1.633 63.884 62.100 0.251 0.000 1.148 685 T CB -0.492 68.579 68.868 0.338 0.000 0.863 685 T HN 0.511 nan 8.240 nan 0.000 0.436 686 F N 2.672 122.712 119.950 0.149 0.000 2.063 686 F HA -0.272 4.314 4.527 0.099 0.000 0.298 686 F C 2.641 178.549 175.800 0.180 0.000 1.109 686 F CA 2.203 60.308 58.000 0.175 0.000 1.212 686 F CB -0.979 38.109 39.000 0.147 0.000 0.973 686 F HN 0.276 nan 8.300 nan 0.000 0.480 687 T N -2.163 112.428 114.554 0.062 0.000 2.833 687 T HA -0.059 4.350 4.350 0.099 0.000 0.269 687 T C 2.246 176.866 174.700 -0.132 0.000 1.054 687 T CA 1.131 63.175 62.100 -0.094 0.000 1.135 687 T CB -1.548 67.347 68.868 0.045 0.000 0.869 687 T HN 0.368 nan 8.240 nan 0.000 0.466 688 G N 0.069 108.840 108.800 -0.047 0.000 2.408 688 G HA2 -0.172 3.848 3.960 0.099 0.000 0.217 688 G HA3 -0.172 3.848 3.960 0.099 0.000 0.217 688 G C 1.361 176.180 174.900 -0.135 0.000 1.150 688 G CA 0.807 45.868 45.100 -0.064 0.000 0.776 688 G HN 0.694 nan 8.290 nan 0.000 0.542 689 H N 0.016 118.958 119.070 -0.214 0.000 2.326 689 H HA 0.090 4.706 4.556 0.099 0.000 0.301 689 H C 2.613 177.623 175.328 -0.530 0.000 1.081 689 H CA 1.639 57.493 56.048 -0.323 0.000 1.334 689 H CB 0.019 29.620 29.762 -0.268 0.000 1.385 689 H HN 0.228 nan 8.280 nan 0.000 0.504 690 R N 0.451 120.706 120.500 -0.409 0.000 2.066 690 R HA -0.117 4.282 4.340 0.099 0.000 0.232 690 R C 2.351 178.512 176.300 -0.231 0.000 1.131 690 R CA 1.666 57.575 56.100 -0.319 0.000 0.955 690 R CB -0.371 29.721 30.300 -0.346 0.000 0.851 690 R HN 0.413 nan 8.270 nan 0.000 0.432 691 V N -1.287 118.486 119.914 -0.235 0.000 2.407 691 V HA -0.110 4.069 4.120 0.099 0.000 0.248 691 V C 2.321 178.259 176.094 -0.261 0.000 1.055 691 V CA 1.766 63.928 62.300 -0.231 0.000 1.049 691 V CB -1.157 30.546 31.823 -0.200 0.000 0.662 691 V HN 0.354 nan 8.190 nan 0.000 0.455 692 A N 0.580 123.228 122.820 -0.286 0.000 1.877 692 A HA -0.119 4.260 4.320 0.099 0.000 0.216 692 A C 2.383 179.791 177.584 -0.294 0.000 1.186 692 A CA 1.694 53.542 52.037 -0.316 0.000 0.620 692 A CB -0.579 18.210 19.000 -0.352 0.000 0.822 692 A HN 0.481 nan 8.150 nan 0.000 0.443 693 R N -0.531 119.760 120.500 -0.348 0.000 2.096 693 R HA -0.095 4.304 4.340 0.099 0.000 0.235 693 R C 1.575 177.826 176.300 -0.082 0.000 1.127 693 R CA 1.608 57.554 56.100 -0.257 0.000 0.968 693 R CB -0.710 29.314 30.300 -0.461 0.000 0.861 693 R HN 0.696 nan 8.270 nan 0.000 0.440 694 E N 0.382 120.526 120.200 -0.092 0.000 2.585 694 E HA 0.127 4.536 4.350 0.099 0.000 0.206 694 E C 1.238 177.761 176.600 -0.128 0.000 1.007 694 E CA -0.152 56.219 56.400 -0.048 0.000 1.028 694 E CB -0.515 nan 29.700 nan 0.000 1.087 694 E HN 0.153 nan 8.360 nan 0.000 0.455 695 I N 0.628 121.092 120.570 -0.177 0.000 2.567 695 I HA -0.145 4.084 4.170 0.099 0.000 0.257 695 I C 1.509 177.553 176.117 -0.121 0.000 1.184 695 I CA 1.343 62.501 61.300 -0.237 0.000 1.451 695 I CB 0.472 38.256 38.000 -0.360 0.000 1.089 695 I HN 0.253 nan 8.210 nan 0.000 0.441 696 E N 0.661 120.842 120.200 -0.032 0.000 2.478 696 E HA 0.033 4.442 4.350 0.099 0.000 0.194 696 E C 0.535 177.147 176.600 0.020 0.000 1.045 696 E CA 0.087 56.506 56.400 0.032 0.000 0.868 696 E CB -0.182 29.568 29.700 0.083 0.000 0.885 696 E HN 0.538 nan 8.360 nan 0.000 0.505 697 E N 0.493 120.687 120.200 -0.011 0.000 2.392 697 E HA 0.153 4.562 4.350 0.099 0.000 0.256 697 E C 1.165 177.770 176.600 0.008 0.000 1.145 697 E CA 0.173 56.574 56.400 0.002 0.000 0.929 697 E CB 0.620 30.317 29.700 -0.004 0.000 0.998 697 E HN -0.020 nan 8.360 nan 0.000 0.442 698 A N 1.997 124.831 122.820 0.024 0.000 1.917 698 A HA -0.218 4.161 4.320 0.099 0.000 0.219 698 A C 1.104 178.721 177.584 0.055 0.000 1.182 698 A CA 1.901 53.963 52.037 0.042 0.000 0.633 698 A CB -0.193 18.830 19.000 0.038 0.000 0.819 698 A HN 0.485 nan 8.150 nan 0.000 0.448 699 N N -1.752 116.966 118.700 0.030 0.000 2.707 699 N HA 0.334 5.134 4.740 0.099 0.000 0.249 699 N C -2.717 172.765 175.510 -0.047 0.000 1.299 699 N CA -1.764 51.311 53.050 0.042 0.000 0.769 699 N CB 1.119 39.648 38.487 0.069 0.000 1.236 699 N HN -0.155 nan 8.380 nan 0.000 0.524 700 P HA -0.099 nan 4.420 nan 0.000 0.228 700 P C 1.069 178.187 177.300 -0.304 0.000 1.151 700 P CA 0.734 63.601 63.100 -0.389 0.000 0.770 700 P CB 0.453 31.610 31.700 -0.905 0.000 0.786 701 Q N -0.445 119.283 119.800 -0.120 0.000 2.291 701 Q HA -0.074 4.325 4.340 0.099 0.000 0.206 701 Q C 0.305 176.317 176.000 0.020 0.000 0.976 701 Q CA 1.219 57.040 55.803 0.031 0.000 0.875 701 Q CB -0.147 28.704 28.738 0.188 0.000 0.927 701 Q HN 0.115 nan 8.270 nan 0.000 0.450 702 I N 0.835 121.416 120.570 0.017 0.000 2.447 702 I HA 0.431 4.660 4.170 0.099 0.000 0.287 702 I C -0.485 175.658 176.117 0.043 0.000 1.023 702 I CA -1.270 60.055 61.300 0.042 0.000 1.083 702 I CB 0.716 38.745 38.000 0.048 0.000 1.245 702 I HN 0.020 nan 8.210 nan 0.000 0.434 703 A N 7.419 130.287 122.820 0.081 0.000 2.531 703 A HA 0.292 4.671 4.320 0.099 0.000 0.236 703 A C 0.548 178.177 177.584 0.074 0.000 1.062 703 A CA -0.096 52.008 52.037 0.113 0.000 0.760 703 A CB -0.003 19.118 19.000 0.202 0.000 0.995 703 A HN 0.740 nan 8.150 nan 0.000 0.501 704 I N 0.207 120.819 120.570 0.071 0.000 3.004 704 I HA 0.465 4.695 4.170 0.099 0.000 0.287 704 I C -2.179 173.937 176.117 -0.002 0.000 1.144 704 I CA -1.952 59.367 61.300 0.032 0.000 1.353 704 I CB -0.312 37.712 38.000 0.041 0.000 1.417 704 I HN 0.340 nan 8.210 nan 0.000 0.602 705 P HA 0.121 nan 4.420 nan 0.000 0.267 705 P C -1.423 175.800 177.300 -0.129 0.000 1.200 705 P CA 0.311 63.301 63.100 -0.183 0.000 0.772 705 P CB 0.102 31.701 31.700 -0.168 0.000 0.855 706 Y N -1.270 118.983 120.300 -0.079 0.000 2.496 706 Y HA 0.545 5.154 4.550 0.099 0.000 0.331 706 Y C 0.266 176.102 175.900 -0.107 0.000 1.140 706 Y CA -1.597 56.425 58.100 -0.130 0.000 1.166 706 Y CB 1.078 39.436 38.460 -0.171 0.000 1.249 706 Y HN 0.090 nan 8.280 nan 0.000 0.479 707 K N 2.777 123.220 120.400 0.072 0.000 2.451 707 K HA 0.194 4.573 4.320 0.099 0.000 0.280 707 K C -0.588 176.139 176.600 0.211 0.000 1.020 707 K CA -0.010 56.301 56.287 0.040 0.000 1.008 707 K CB 0.449 32.857 32.500 -0.154 0.000 0.917 707 K HN 0.667 nan 8.250 nan 0.000 0.478 708 R N 2.201 122.800 120.500 0.165 0.000 2.407 708 R HA 0.131 4.530 4.340 0.099 0.000 0.303 708 R C -0.278 176.127 176.300 0.174 0.000 0.981 708 R CA -0.493 55.724 56.100 0.195 0.000 0.905 708 R CB 1.248 31.614 30.300 0.109 0.000 1.099 708 R HN 0.564 nan 8.270 nan 0.000 0.459 709 E N 2.151 122.451 120.200 0.166 0.000 2.597 709 E HA 0.129 4.538 4.350 0.099 0.000 0.235 709 E C -0.778 175.869 176.600 0.079 0.000 1.155 709 E CA -0.119 56.355 56.400 0.124 0.000 1.199 709 E CB 1.162 30.925 29.700 0.105 0.000 1.409 709 E HN 0.408 nan 8.360 nan 0.000 0.453 710 T N 1.324 115.922 114.554 0.075 0.000 2.856 710 T HA 0.312 4.721 4.350 0.099 0.000 0.283 710 T C 0.343 175.077 174.700 0.057 0.000 1.008 710 T CA -0.612 61.522 62.100 0.057 0.000 0.997 710 T CB 1.704 70.605 68.868 0.056 0.000 0.992 710 T HN 0.316 nan 8.240 nan 0.000 0.454 711 I N 2.465 123.069 120.570 0.058 0.000 2.872 711 I HA 0.305 4.534 4.170 0.099 0.000 0.291 711 I C 0.321 176.481 176.117 0.072 0.000 1.216 711 I CA -0.038 61.303 61.300 0.068 0.000 1.424 711 I CB 0.309 38.361 38.000 0.087 0.000 1.351 711 I HN 0.712 nan 8.210 nan 0.000 0.592 712 A N 8.728 131.578 122.820 0.049 0.000 2.249 712 A HA 0.167 4.546 4.320 0.099 0.000 0.314 712 A C -0.358 177.249 177.584 0.039 0.000 1.290 712 A CA -0.624 51.439 52.037 0.043 0.000 0.893 712 A CB 0.193 19.191 19.000 -0.003 0.000 1.165 712 A HN 0.901 nan 8.150 nan 0.000 0.530 713 W N 2.997 124.233 121.300 -0.105 0.000 2.391 713 W HA 0.258 4.978 4.660 0.099 0.000 0.339 713 W C 0.855 177.142 176.519 -0.386 0.000 1.252 713 W CA 1.849 59.097 57.345 -0.161 0.000 1.304 713 W CB 0.351 29.762 29.460 -0.081 0.000 1.179 713 W HN 1.446 nan 8.180 nan 0.000 0.567 714 G N 3.151 110.984 108.800 -1.612 0.000 2.194 714 G HA2 -0.245 3.774 3.960 0.099 0.000 0.236 714 G HA3 -0.245 3.774 3.960 0.099 0.000 0.236 714 G C -0.088 174.045 174.900 -1.278 0.000 0.987 714 G CA 0.226 43.913 45.100 -2.354 0.000 0.635 714 G HN 0.583 nan 8.290 nan 0.000 0.520 715 T N 3.810 117.978 114.554 -0.644 0.000 2.809 715 T HA 0.593 5.002 4.350 0.099 0.000 0.296 715 T C -2.371 172.253 174.700 -0.127 0.000 1.015 715 T CA -0.795 61.133 62.100 -0.287 0.000 0.954 715 T CB 2.760 71.532 68.868 -0.160 0.000 0.950 715 T HN 0.232 nan 8.240 nan 0.000 0.450 716 P HA 0.162 nan 4.420 nan 0.000 0.279 716 P C 0.723 178.055 177.300 0.055 0.000 1.239 716 P CA -0.427 62.704 63.100 0.052 0.000 0.789 716 P CB 1.003 32.745 31.700 0.071 0.000 0.933 717 H N 3.081 122.162 119.070 0.019 0.000 2.353 717 H HA -0.050 4.566 4.556 0.099 0.000 0.300 717 H C 0.550 175.884 175.328 0.008 0.000 1.090 717 H CA 0.832 56.886 56.048 0.009 0.000 1.327 717 H CB 0.201 29.973 29.762 0.016 0.000 1.383 717 H HN 0.314 nan 8.280 nan 0.000 0.508 718 M N 2.839 122.441 119.600 0.003 0.000 2.227 718 M HA 0.222 4.762 4.480 0.099 0.000 0.349 718 M C -2.433 173.831 176.300 -0.060 0.000 1.443 718 M CA -1.514 53.759 55.300 -0.046 0.000 1.110 718 M CB 1.154 33.782 32.600 0.047 0.000 1.773 718 M HN -0.134 nan 8.290 nan 0.000 0.463 719 P HA 0.165 nan 4.420 nan 0.000 0.263 719 P C 0.531 177.814 177.300 -0.029 0.000 1.195 719 P CA 0.985 64.049 63.100 -0.059 0.000 0.762 719 P CB 0.466 32.129 31.700 -0.062 0.000 0.799 720 G N 2.101 110.889 108.800 -0.020 0.000 2.162 720 G HA2 -0.182 3.837 3.960 0.099 0.000 0.260 720 G HA3 -0.182 3.837 3.960 0.099 0.000 0.260 720 G C 0.649 175.546 174.900 -0.004 0.000 0.976 720 G CA -0.087 45.007 45.100 -0.010 0.000 0.655 720 G HN 0.884 nan 8.290 nan 0.000 0.533 721 G N -0.625 108.178 108.800 0.004 0.000 2.616 721 G HA2 0.439 4.458 3.960 0.099 0.000 0.268 721 G HA3 0.439 4.458 3.960 0.099 0.000 0.268 721 G C -0.123 174.782 174.900 0.008 0.000 1.213 721 G CA 0.157 45.264 45.100 0.011 0.000 0.926 721 G HN 0.505 nan 8.290 nan 0.000 0.523 722 N N -0.318 118.371 118.700 -0.018 0.000 2.446 722 N HA 0.236 5.035 4.740 0.099 0.000 0.265 722 N C 0.634 176.079 175.510 -0.108 0.000 0.975 722 N CA -1.128 51.868 53.050 -0.090 0.000 0.928 722 N CB 1.127 39.533 38.487 -0.136 0.000 1.160 722 N HN 0.361 nan 8.380 nan 0.000 0.495 723 F N 1.976 121.824 119.950 -0.170 0.000 2.558 723 F HA 0.382 4.968 4.527 0.099 0.000 0.298 723 F C 0.457 176.113 175.800 -0.239 0.000 1.119 723 F CA -0.136 57.714 58.000 -0.250 0.000 1.451 723 F CB -0.033 38.686 39.000 -0.468 0.000 1.091 723 F HN 0.093 nan 8.300 nan 0.000 0.563 724 K N 1.650 121.501 120.400 -0.915 0.000 2.258 724 K HA 0.303 4.683 4.320 0.099 0.000 0.264 724 K C 0.124 176.623 176.600 -0.168 0.000 1.007 724 K CA -0.599 55.357 56.287 -0.553 0.000 0.941 724 K CB 1.067 33.189 32.500 -0.629 0.000 0.966 724 K HN 0.128 nan 8.250 nan 0.000 0.480 725 I N 2.443 122.993 120.570 -0.032 0.000 2.752 725 I HA -0.132 4.097 4.170 0.099 0.000 0.289 725 I C 0.157 176.100 176.117 -0.288 0.000 1.197 725 I CA 1.124 62.320 61.300 -0.173 0.000 1.432 725 I CB 0.115 38.007 38.000 -0.181 0.000 1.359 725 I HN 0.483 nan 8.210 nan 0.000 0.571 726 E N 6.055 126.033 120.200 -0.369 0.000 2.316 726 E HA 0.302 4.711 4.350 0.099 0.000 0.254 726 E C -1.506 174.901 176.600 -0.321 0.000 0.902 726 E CA -0.644 55.588 56.400 -0.280 0.000 0.801 726 E CB 1.462 31.069 29.700 -0.154 0.000 1.270 726 E HN 0.313 nan 8.360 nan 0.000 0.414 727 Y N 1.300 121.600 120.300 0.000 0.000 2.301 727 Y HA 0.213 4.822 4.550 0.099 0.000 0.328 727 Y C 0.692 176.591 175.900 -0.002 0.000 1.242 727 Y CA -0.407 57.694 58.100 0.002 0.000 1.323 727 Y CB 0.794 39.255 38.460 0.002 0.000 1.266 727 Y HN 0.139 nan 8.280 nan 0.000 0.527 728 K N 3.196 123.700 120.400 0.173 0.000 2.250 728 K HA 0.474 4.853 4.320 0.099 0.000 0.280 728 K C -0.791 175.858 176.600 0.082 0.000 1.098 728 K CA -0.383 55.958 56.287 0.090 0.000 0.916 728 K CB 0.395 32.930 32.500 0.059 0.000 1.209 728 K HN 0.530 nan 8.250 nan 0.000 0.461 729 V N 0.000 119.954 119.914 0.066 0.000 2.409 729 V HA 0.000 4.179 4.120 0.099 0.000 0.244 729 V CA 0.000 62.328 62.300 0.046 0.000 1.235 729 V CB 0.000 31.855 31.823 0.053 0.000 1.184 729 V HN 0.000 nan 8.190 nan 0.000 0.556