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 2taa_1_B DATA FIRST_RESID 1 DATA SEQUENCE ATPADWRSQS IYFLLTDRFA RTDGSTTATc NTADQKYcGG TWQGIIDKLD DATA SEQUENCE YIQGMGFTAI WITPVTAQLP QDCAYGDAYT GYWQTDIYSL NENYGTADDL DATA SEQUENCE KALSSALHER GMYLMVDVVA NHMGYDGAGS SVDYSVFKPF SSQDYFHPFc DATA SEQUENCE FIQNYEDQTQ VEDcWLGDNT VSLPDLDTTK DVVKNEWYDW VGSLVSNYSI DATA SEQUENCE DGLRIDTVKH VQKDFWPGYN KAAGVYCIGE VLDGDPAYTc PYQNVMDGVL DATA SEQUENCE NYPIYYPLLN AFKSTSGSMD DLYNMINTVK SDcPDSTLLG TFVENHDNPR DATA SEQUENCE FASYTNDIAL AKNVAAFIIL NDGLPIIYAG QEQHYAGGND PANREATWLS DATA SEQUENCE GYPTDSELYK LIASANAIRN YAISKDTGFV TYKNPYIKDD TTIAMRKGTD DATA SEQUENCE GSQIVTILSN KGASGDSYTL SLSGASYTAG QQLTEVIGcT TVTVGSDGNV DATA SEQUENCE PVPMAGGLPR VLYPTEKLAG SKIcSDSS 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 0.000 177.798 177.584 0.357 0.000 1.274 1 A CA 0.000 52.258 52.037 0.369 0.000 0.836 1 A CB 0.000 19.298 19.000 0.496 0.000 0.831 2 T N -2.460 112.374 114.554 0.467 0.000 3.034 2 T HA 0.315 4.647 4.350 -0.029 0.000 0.329 2 T C -2.314 172.583 174.700 0.330 0.000 1.789 2 T CA 0.016 62.349 62.100 0.388 0.000 1.020 2 T CB -0.411 68.586 68.868 0.215 0.000 1.965 2 T HN 1.062 nan 8.240 nan 0.000 0.540 3 P HA -0.337 nan 4.420 nan 0.000 0.229 3 P C 1.391 178.691 177.300 0.001 0.000 1.152 3 P CA 2.850 66.005 63.100 0.092 0.000 0.915 3 P CB -0.571 31.199 31.700 0.116 0.000 0.784 4 A N -1.442 121.387 122.820 0.016 0.000 2.132 4 A HA -0.040 4.262 4.320 -0.029 0.000 0.213 4 A C 1.927 179.483 177.584 -0.045 0.000 1.154 4 A CA 1.003 53.033 52.037 -0.011 0.000 0.753 4 A CB -0.322 18.682 19.000 0.007 0.000 0.826 4 A HN 0.131 nan 8.150 nan 0.000 0.469 5 D N -0.840 119.515 120.400 -0.075 0.000 2.165 5 D HA -0.121 4.501 4.640 -0.029 0.000 0.213 5 D C 1.562 177.703 176.300 -0.266 0.000 0.983 5 D CA 0.674 54.577 54.000 -0.161 0.000 0.881 5 D CB -0.681 40.001 40.800 -0.198 0.000 1.028 5 D HN 0.564 nan 8.370 nan 0.000 0.457 6 W N 1.738 122.745 121.300 -0.488 0.000 2.284 6 W HA -0.376 4.268 4.660 -0.027 0.000 0.355 6 W C 2.685 178.919 176.519 -0.474 0.000 1.501 6 W CA 2.258 59.181 57.345 -0.704 0.000 1.448 6 W CB -0.706 28.006 29.460 -1.247 0.000 1.045 6 W HN 0.028 nan 8.180 nan 0.000 0.470 7 R N -0.576 119.853 120.500 -0.119 0.000 2.386 7 R HA -0.358 3.965 4.340 -0.029 0.000 0.252 7 R C 1.950 178.245 176.300 -0.008 0.000 1.058 7 R CA 3.027 59.089 56.100 -0.063 0.000 0.938 7 R CB -0.989 29.277 30.300 -0.056 0.000 0.931 7 R HN 0.308 nan 8.270 nan 0.000 0.455 8 S N -0.629 115.070 115.700 -0.001 0.000 2.425 8 S HA -0.067 4.386 4.470 -0.029 0.000 0.225 8 S C 0.705 175.345 174.600 0.067 0.000 1.024 8 S CA 0.135 58.370 58.200 0.058 0.000 0.951 8 S CB 0.067 63.292 63.200 0.041 0.000 0.796 8 S HN 0.314 nan 8.310 nan 0.000 0.498 9 Q N 2.284 122.097 119.800 0.022 0.000 2.271 9 Q HA 0.251 4.573 4.340 -0.029 0.000 0.273 9 Q C -0.380 175.711 176.000 0.152 0.000 1.051 9 Q CA 0.027 55.860 55.803 0.050 0.000 0.901 9 Q CB 0.451 29.161 28.738 -0.047 0.000 1.174 9 Q HN 0.167 nan 8.270 nan 0.000 0.385 10 S N 3.308 119.133 115.700 0.209 0.000 2.549 10 S HA 0.310 4.762 4.470 -0.029 0.000 0.279 10 S C -0.339 174.462 174.600 0.334 0.000 1.321 10 S CA -0.538 57.859 58.200 0.329 0.000 1.054 10 S CB 0.221 63.680 63.200 0.431 0.000 0.899 10 S HN 0.473 nan 8.310 nan 0.000 0.497 11 I N 4.605 125.300 120.570 0.208 0.000 2.385 11 I HA 0.340 4.492 4.170 -0.029 0.000 0.294 11 I C -0.691 175.485 176.117 0.099 0.000 0.988 11 I CA -0.585 60.809 61.300 0.156 0.000 1.265 11 I CB 0.873 38.912 38.000 0.065 0.000 1.388 11 I HN 0.536 nan 8.210 nan 0.000 0.480 12 Y N 7.222 127.609 120.300 0.145 0.000 2.332 12 Y HA 0.493 5.025 4.550 -0.031 0.000 0.326 12 Y C -1.398 174.673 175.900 0.285 0.000 0.978 12 Y CA -1.485 56.673 58.100 0.097 0.000 1.205 12 Y CB 0.985 39.538 38.460 0.155 0.000 1.131 12 Y HN 0.427 nan 8.280 nan 0.000 0.462 13 F N 7.734 127.771 119.950 0.145 0.000 2.411 13 F HA 0.673 5.182 4.527 -0.030 0.000 0.350 13 F C -1.262 174.449 175.800 -0.149 0.000 1.114 13 F CA -1.383 56.659 58.000 0.070 0.000 1.135 13 F CB 0.398 39.349 39.000 -0.082 0.000 1.120 13 F HN 0.464 nan 8.300 nan 0.000 0.495 14 L N 5.093 126.514 121.223 0.329 0.000 2.303 14 L HA 0.550 4.872 4.340 -0.029 0.000 0.256 14 L C -0.357 176.541 176.870 0.048 0.000 1.034 14 L CA -0.952 53.857 54.840 -0.052 0.000 0.832 14 L CB 1.509 43.388 42.059 -0.300 0.000 1.403 14 L HN 0.515 nan 8.230 nan 0.000 0.419 15 L N -0.461 120.757 121.223 -0.008 0.000 2.276 15 L HA 0.260 4.582 4.340 -0.029 0.000 0.194 15 L C 1.226 178.165 176.870 0.115 0.000 1.099 15 L CA 1.877 56.754 54.840 0.063 0.000 0.800 15 L CB 0.163 42.234 42.059 0.020 0.000 0.994 15 L HN 1.189 nan 8.230 nan 0.000 0.475 16 T N -6.491 108.137 114.554 0.124 0.000 13.165 16 T HA -0.263 4.070 4.350 -0.029 0.000 0.398 16 T C 1.090 175.827 174.700 0.061 0.000 1.597 16 T CA 0.134 62.303 62.100 0.114 0.000 2.630 16 T CB -1.379 67.444 68.868 -0.075 0.000 2.521 16 T HN 0.030 nan 8.240 nan 0.000 0.220 17 D N 2.140 122.481 120.400 -0.099 0.000 2.268 17 D HA -0.099 4.523 4.640 -0.029 0.000 0.189 17 D C 1.180 177.506 176.300 0.044 0.000 1.010 17 D CA 1.962 55.889 54.000 -0.122 0.000 0.862 17 D CB -0.250 40.407 40.800 -0.239 0.000 0.943 17 D HN 0.564 nan 8.370 nan 0.000 0.451 18 R N -1.007 119.558 120.500 0.108 0.000 2.308 18 R HA 0.340 4.662 4.340 -0.029 0.000 0.325 18 R C -0.334 176.201 176.300 0.392 0.000 1.161 18 R CA -0.021 56.250 56.100 0.285 0.000 1.022 18 R CB 0.102 30.456 30.300 0.090 0.000 1.091 18 R HN 0.195 nan 8.270 nan 0.000 0.497 19 F N 0.303 120.507 119.950 0.424 0.000 1.961 19 F HA -0.161 4.348 4.527 -0.030 0.000 0.505 19 F C -0.545 175.345 175.800 0.149 0.000 1.299 19 F CA 0.491 58.677 58.000 0.310 0.000 1.114 19 F CB -1.016 38.111 39.000 0.213 0.000 2.152 19 F HN 0.409 nan 8.300 nan 0.000 0.135 20 A N 1.453 124.390 122.820 0.195 0.000 2.498 20 A HA 0.601 4.903 4.320 -0.029 0.000 0.239 20 A C 0.266 177.738 177.584 -0.188 0.000 1.068 20 A CA 1.205 53.281 52.037 0.066 0.000 0.766 20 A CB 0.165 19.287 19.000 0.203 0.000 1.003 20 A HN 0.568 nan 8.150 nan 0.000 0.497 21 R N 1.498 121.875 120.500 -0.204 0.000 2.221 21 R HA -0.037 4.286 4.340 -0.029 0.000 0.205 21 R C 0.532 176.705 176.300 -0.211 0.000 0.865 21 R CA 0.468 56.371 56.100 -0.328 0.000 0.749 21 R CB -1.099 28.723 30.300 -0.796 0.000 1.468 21 R HN 0.903 nan 8.270 nan 0.000 0.299 22 T N 0.262 114.762 114.554 -0.091 0.000 2.774 22 T HA -0.226 4.107 4.350 -0.029 0.000 0.264 22 T C 1.090 175.761 174.700 -0.048 0.000 1.037 22 T CA 2.004 64.077 62.100 -0.044 0.000 1.152 22 T CB -0.181 68.679 68.868 -0.014 0.000 0.842 22 T HN 0.498 nan 8.240 nan 0.000 0.483 23 D N 0.352 120.703 120.400 -0.081 0.000 2.351 23 D HA 0.039 4.662 4.640 -0.029 0.000 0.216 23 D C 1.962 178.240 176.300 -0.035 0.000 0.968 23 D CA 0.998 54.962 54.000 -0.060 0.000 0.899 23 D CB -0.690 40.066 40.800 -0.075 0.000 0.907 23 D HN 0.561 nan 8.370 nan 0.000 0.514 24 G N 1.007 109.774 108.800 -0.056 0.000 5.260 24 G HA2 -0.445 3.497 3.960 -0.029 0.000 0.276 24 G HA3 -0.445 3.497 3.960 -0.029 0.000 0.276 24 G C 0.765 175.716 174.900 0.086 0.000 1.357 24 G CA 1.089 46.224 45.100 0.057 0.000 1.008 24 G HN 0.408 nan 8.290 nan 0.000 0.777 25 S N -0.089 115.717 115.700 0.176 0.000 3.635 25 S HA -0.280 4.172 4.470 -0.029 0.000 0.328 25 S C 1.997 176.933 174.600 0.560 0.000 1.135 25 S CA 2.046 60.462 58.200 0.360 0.000 0.942 25 S CB -2.023 61.370 63.200 0.323 0.000 0.930 25 S HN 2.367 nan 8.310 nan 0.000 0.512 26 T N -1.754 112.993 114.554 0.320 0.000 2.731 26 T HA -0.307 4.025 4.350 -0.029 0.000 0.263 26 T C 1.390 176.077 174.700 -0.021 0.000 1.033 26 T CA 2.334 64.486 62.100 0.087 0.000 1.160 26 T CB -0.964 67.943 68.868 0.064 0.000 0.849 26 T HN 0.635 nan 8.240 nan 0.000 0.469 27 T N 1.226 115.805 114.554 0.042 0.000 3.145 27 T HA 0.606 4.938 4.350 -0.029 0.000 0.255 27 T C 0.760 175.476 174.700 0.027 0.000 1.039 27 T CA 0.071 62.174 62.100 0.005 0.000 0.928 27 T CB -0.065 68.814 68.868 0.019 0.000 1.029 27 T HN 0.730 nan 8.240 nan 0.000 0.554 28 A N 2.425 125.312 122.820 0.113 0.000 2.505 28 A HA 0.345 4.648 4.320 -0.029 0.000 0.271 28 A C 0.830 178.454 177.584 0.066 0.000 1.112 28 A CA -0.160 51.985 52.037 0.180 0.000 0.781 28 A CB -0.599 18.731 19.000 0.551 0.000 1.059 28 A HN 0.319 nan 8.150 nan 0.000 0.508 29 T N 1.617 116.193 114.554 0.036 0.000 2.765 29 T HA 0.148 4.481 4.350 -0.029 0.000 0.275 29 T C 0.207 174.899 174.700 -0.012 0.000 1.007 29 T CA 1.314 63.411 62.100 -0.005 0.000 1.175 29 T CB -0.359 68.510 68.868 0.002 0.000 0.993 29 T HN 1.387 nan 8.240 nan 0.000 0.510 30 c N 6.007 124.567 118.600 -0.067 0.000 2.181 30 c HA 0.107 4.660 4.570 -0.029 0.000 0.400 30 c C -0.027 173.966 174.090 -0.161 0.000 0.657 30 c CA -1.042 55.222 56.329 -0.108 0.000 0.818 30 c CB -1.204 41.270 42.510 -0.059 0.000 1.171 30 c HN 0.990 nan 8.230 nan 0.000 0.702 31 N N 1.520 120.134 118.700 -0.143 0.000 3.271 31 N HA 0.116 4.838 4.740 -0.029 0.000 0.303 31 N C 1.212 176.637 175.510 -0.142 0.000 1.415 31 N CA 0.680 53.648 53.050 -0.138 0.000 1.159 31 N CB 0.461 38.888 38.487 -0.099 0.000 1.432 31 N HN 0.874 nan 8.380 nan 0.000 0.521 32 T N -0.657 113.789 114.554 -0.179 0.000 3.054 32 T HA -0.483 3.849 4.350 -0.029 0.000 0.203 32 T C 1.809 176.459 174.700 -0.085 0.000 1.452 32 T CA 3.134 65.142 62.100 -0.154 0.000 1.052 32 T CB -1.605 67.202 68.868 -0.102 0.000 0.890 32 T HN 0.642 nan 8.240 nan 0.000 0.529 33 A N 2.200 124.983 122.820 -0.062 0.000 2.027 33 A HA -0.376 3.926 4.320 -0.029 0.000 0.238 33 A C 1.892 179.452 177.584 -0.040 0.000 1.809 33 A CA 3.009 55.018 52.037 -0.046 0.000 0.738 33 A CB -1.153 17.816 19.000 -0.052 0.000 0.832 33 A HN 0.807 nan 8.150 nan 0.000 0.554 34 D N -1.785 118.581 120.400 -0.058 0.000 2.469 34 D HA 0.208 4.831 4.640 -0.029 0.000 0.213 34 D C 0.985 177.248 176.300 -0.061 0.000 1.135 34 D CA 0.611 54.582 54.000 -0.048 0.000 0.834 34 D CB 0.210 40.979 40.800 -0.051 0.000 1.009 34 D HN 0.709 nan 8.370 nan 0.000 0.507 35 Q N 0.590 120.318 119.800 -0.121 0.000 1.795 35 Q HA -0.350 3.973 4.340 -0.029 0.000 0.404 35 Q C -0.464 175.377 176.000 -0.266 0.000 0.847 35 Q CA 1.059 56.723 55.803 -0.231 0.000 0.799 35 Q CB -1.312 27.520 28.738 0.156 0.000 3.822 35 Q HN 0.241 nan 8.270 nan 0.000 0.742 36 K N -1.155 119.189 120.400 -0.093 0.000 7.329 36 K HA -0.173 4.130 4.320 -0.029 0.000 0.591 36 K C -1.082 175.476 176.600 -0.070 0.000 2.583 36 K CA 0.663 56.954 56.287 0.006 0.000 2.016 36 K CB -0.939 31.579 32.500 0.029 0.000 2.225 36 K HN 0.420 nan 8.250 nan 0.000 0.215 37 Y N 0.322 120.591 120.300 -0.052 0.000 2.802 37 Y HA -0.091 4.441 4.550 -0.030 0.000 0.333 37 Y C 1.296 177.135 175.900 -0.101 0.000 1.244 37 Y CA 0.134 58.178 58.100 -0.093 0.000 1.558 37 Y CB 0.297 38.709 38.460 -0.080 0.000 1.233 37 Y HN 0.492 nan 8.280 nan 0.000 0.547 38 c N 4.195 122.790 118.600 -0.009 0.000 2.534 38 c HA 0.255 4.808 4.570 -0.029 0.000 0.435 38 c C 1.315 175.423 174.090 0.029 0.000 1.329 38 c CA -0.792 55.545 56.329 0.014 0.000 1.675 38 c CB -1.561 40.968 42.510 0.032 0.000 2.384 38 c HN 1.189 nan 8.230 nan 0.000 0.605 39 G N 1.588 110.402 108.800 0.023 0.000 2.232 39 G HA2 0.100 4.042 3.960 -0.029 0.000 0.240 39 G HA3 0.100 4.042 3.960 -0.029 0.000 0.240 39 G C 0.588 175.453 174.900 -0.058 0.000 0.424 39 G CA 0.645 45.740 45.100 -0.009 0.000 1.047 39 G HN 0.994 nan 8.290 nan 0.000 0.442 40 G N 1.477 110.228 108.800 -0.082 0.000 4.566 40 G HA2 0.485 4.427 3.960 -0.029 0.000 0.276 40 G HA3 0.485 4.427 3.960 -0.029 0.000 0.276 40 G C 0.238 175.098 174.900 -0.066 0.000 1.248 40 G CA 0.057 45.068 45.100 -0.148 0.000 0.858 40 G HN 0.652 nan 8.290 nan 0.000 0.549 41 T N 1.684 116.239 114.554 0.002 0.000 2.596 41 T HA -0.183 4.150 4.350 -0.029 0.000 0.252 41 T C 1.276 176.118 174.700 0.236 0.000 1.033 41 T CA -0.001 62.175 62.100 0.128 0.000 1.215 41 T CB 0.627 69.557 68.868 0.105 0.000 1.011 41 T HN 0.484 nan 8.240 nan 0.000 0.498 42 W N 2.637 124.095 121.300 0.264 0.000 2.257 42 W HA -0.276 4.366 4.660 -0.030 0.000 0.325 42 W C 2.155 178.748 176.519 0.124 0.000 1.296 42 W CA 1.605 59.076 57.345 0.211 0.000 1.297 42 W CB -0.599 28.947 29.460 0.143 0.000 1.131 42 W HN 0.746 nan 8.180 nan 0.000 0.492 43 Q N -0.897 119.093 119.800 0.316 0.000 2.268 43 Q HA -0.228 4.094 4.340 -0.029 0.000 0.213 43 Q C 2.246 178.327 176.000 0.135 0.000 0.995 43 Q CA 2.148 58.059 55.803 0.179 0.000 0.901 43 Q CB -1.250 27.568 28.738 0.133 0.000 0.921 43 Q HN 0.439 nan 8.270 nan 0.000 0.421 44 G N 1.454 110.332 108.800 0.130 0.000 2.717 44 G HA2 -0.292 3.650 3.960 -0.029 0.000 0.224 44 G HA3 -0.292 3.650 3.960 -0.029 0.000 0.224 44 G C 1.427 176.383 174.900 0.092 0.000 1.088 44 G CA 1.178 46.325 45.100 0.080 0.000 0.734 44 G HN 0.420 nan 8.290 nan 0.000 0.616 45 I N 0.380 121.036 120.570 0.142 0.000 2.236 45 I HA -0.235 3.917 4.170 -0.029 0.000 0.249 45 I C 2.552 178.716 176.117 0.079 0.000 1.102 45 I CA 1.091 62.468 61.300 0.128 0.000 1.365 45 I CB -0.295 37.799 38.000 0.158 0.000 1.051 45 I HN 0.217 nan 8.210 nan 0.000 0.420 46 I N 0.435 121.044 120.570 0.066 0.000 2.546 46 I HA -0.217 3.936 4.170 -0.029 0.000 0.255 46 I C 1.645 177.778 176.117 0.027 0.000 1.163 46 I CA 1.102 62.428 61.300 0.043 0.000 1.457 46 I CB -0.358 37.666 38.000 0.039 0.000 1.092 46 I HN 0.184 nan 8.210 nan 0.000 0.434 47 D N 0.233 120.646 120.400 0.021 0.000 2.240 47 D HA 0.007 4.629 4.640 -0.029 0.000 0.206 47 D C 1.357 177.642 176.300 -0.025 0.000 0.963 47 D CA 0.840 54.840 54.000 -0.000 0.000 0.863 47 D CB 0.212 41.012 40.800 0.000 0.000 0.973 47 D HN 0.046 nan 8.370 nan 0.000 0.501 48 K N -0.538 119.858 120.400 -0.006 0.000 2.842 48 K HA 0.362 4.664 4.320 -0.029 0.000 0.310 48 K C 0.566 177.186 176.600 0.034 0.000 0.992 48 K CA -0.681 55.599 56.287 -0.012 0.000 1.207 48 K CB 0.084 32.598 32.500 0.023 0.000 1.478 48 K HN -0.199 nan 8.250 nan 0.000 0.601 49 L N -0.439 120.836 121.223 0.085 0.000 5.134 49 L HA -0.313 4.009 4.340 -0.029 0.000 0.407 49 L C 0.814 177.739 176.870 0.092 0.000 0.869 49 L CA 1.838 56.728 54.840 0.082 0.000 1.827 49 L CB -1.555 40.538 42.059 0.056 0.000 1.501 49 L HN 0.716 nan 8.230 nan 0.000 0.610 50 D N -2.130 118.320 120.400 0.084 0.000 2.310 50 D HA -0.110 4.512 4.640 -0.029 0.000 0.212 50 D C 1.836 178.244 176.300 0.180 0.000 0.965 50 D CA 0.911 54.967 54.000 0.092 0.000 0.879 50 D CB 0.013 40.839 40.800 0.044 0.000 0.921 50 D HN 0.605 nan 8.370 nan 0.000 0.510 51 Y N 0.887 121.246 120.300 0.098 0.000 2.145 51 Y HA -0.170 4.364 4.550 -0.027 0.000 0.286 51 Y C 2.056 178.062 175.900 0.177 0.000 1.145 51 Y CA 1.584 59.816 58.100 0.219 0.000 1.148 51 Y CB -0.072 38.547 38.460 0.266 0.000 0.981 51 Y HN 0.063 nan 8.280 nan 0.000 0.507 52 I N -1.790 118.891 120.570 0.184 0.000 2.193 52 I HA -0.242 3.910 4.170 -0.029 0.000 0.240 52 I C 2.147 178.331 176.117 0.112 0.000 1.084 52 I CA 1.424 62.830 61.300 0.176 0.000 1.365 52 I CB -1.034 36.971 38.000 0.007 0.000 1.064 52 I HN 0.184 nan 8.210 nan 0.000 0.410 53 Q N 1.594 121.426 119.800 0.054 0.000 2.077 53 Q HA -0.174 4.148 4.340 -0.029 0.000 0.206 53 Q C 2.408 178.381 176.000 -0.045 0.000 0.989 53 Q CA 2.053 57.862 55.803 0.010 0.000 0.853 53 Q CB -0.600 28.154 28.738 0.026 0.000 0.907 53 Q HN 0.779 nan 8.270 nan 0.000 0.418 54 G N 0.195 108.977 108.800 -0.030 0.000 2.475 54 G HA2 -0.259 3.683 3.960 -0.029 0.000 0.220 54 G HA3 -0.259 3.683 3.960 -0.029 0.000 0.220 54 G C 1.227 176.020 174.900 -0.177 0.000 1.125 54 G CA 0.870 45.963 45.100 -0.011 0.000 0.755 54 G HN 0.164 nan 8.290 nan 0.000 0.565 55 M N -0.319 119.071 119.600 -0.350 0.000 2.288 55 M HA 0.243 4.706 4.480 -0.029 0.000 0.266 55 M C 2.279 178.144 176.300 -0.726 0.000 1.072 55 M CA 0.758 55.724 55.300 -0.556 0.000 1.132 55 M CB -0.464 31.848 32.600 -0.480 0.000 1.386 55 M HN 0.470 nan 8.290 nan 0.000 0.432 56 G N -1.252 107.241 108.800 -0.512 0.000 2.339 56 G HA2 -0.199 3.743 3.960 -0.029 0.000 0.209 56 G HA3 -0.199 3.743 3.960 -0.029 0.000 0.209 56 G C 0.117 174.877 174.900 -0.234 0.000 1.015 56 G CA -0.210 44.662 45.100 -0.379 0.000 0.635 56 G HN 0.354 nan 8.290 nan 0.000 0.499 57 F N 2.393 122.388 119.950 0.075 0.000 2.623 57 F HA 0.436 4.949 4.527 -0.022 0.000 0.383 57 F C 1.559 177.428 175.800 0.113 0.000 1.077 57 F CA 0.988 59.062 58.000 0.123 0.000 1.268 57 F CB 0.232 39.354 39.000 0.202 0.000 1.053 57 F HN -0.065 nan 8.300 nan 0.000 0.571 58 T N 1.102 115.810 114.554 0.258 0.000 3.069 58 T HA 0.470 4.802 4.350 -0.029 0.000 0.252 58 T C 0.487 175.307 174.700 0.199 0.000 1.053 58 T CA 0.290 62.491 62.100 0.168 0.000 0.964 58 T CB 0.026 68.946 68.868 0.085 0.000 1.005 58 T HN 0.707 nan 8.240 nan 0.000 0.532 59 A N 1.052 124.040 122.820 0.281 0.000 2.355 59 A HA 0.785 5.087 4.320 -0.029 0.000 0.324 59 A C -0.645 177.138 177.584 0.332 0.000 1.117 59 A CA -0.728 51.507 52.037 0.329 0.000 0.785 59 A CB 0.833 20.069 19.000 0.394 0.000 1.254 59 A HN 0.395 nan 8.150 nan 0.000 0.453 60 I N 2.078 122.831 120.570 0.305 0.000 2.276 60 I HA 0.132 4.284 4.170 -0.029 0.000 0.290 60 I C -1.025 175.301 176.117 0.348 0.000 1.109 60 I CA 0.140 61.607 61.300 0.279 0.000 1.229 60 I CB 0.353 38.464 38.000 0.185 0.000 1.452 60 I HN 0.680 nan 8.210 nan 0.000 0.497 61 W N 9.939 131.314 121.300 0.126 0.000 2.283 61 W HA 0.603 5.244 4.660 -0.031 0.000 0.317 61 W C -0.618 175.900 176.519 -0.002 0.000 1.042 61 W CA -1.368 55.968 57.345 -0.015 0.000 1.348 61 W CB 0.615 29.971 29.460 -0.174 0.000 1.216 61 W HN 0.316 nan 8.180 nan 0.000 0.404 62 I N 3.417 124.081 120.570 0.156 0.000 3.145 62 I HA 0.671 4.823 4.170 -0.029 0.000 0.313 62 I C 0.775 176.942 176.117 0.083 0.000 1.122 62 I CA -0.842 60.517 61.300 0.099 0.000 0.987 62 I CB 1.589 39.755 38.000 0.276 0.000 1.236 62 I HN 0.327 nan 8.210 nan 0.000 0.453 63 T N 0.940 115.596 114.554 0.170 0.000 2.515 63 T HA 0.050 4.382 4.350 -0.029 0.000 0.382 63 T C -1.956 172.875 174.700 0.218 0.000 1.056 63 T CA -0.226 62.004 62.100 0.217 0.000 1.079 63 T CB -1.084 67.966 68.868 0.303 0.000 1.002 63 T HN 0.700 nan 8.240 nan 0.000 0.548 64 P HA 0.512 nan 4.420 nan 0.000 0.318 64 P C -0.843 176.641 177.300 0.307 0.000 1.309 64 P CA -0.544 62.667 63.100 0.184 0.000 0.736 64 P CB 0.638 32.440 31.700 0.170 0.000 1.440 65 V N -1.334 118.763 119.914 0.305 0.000 2.697 65 V HA 0.504 4.607 4.120 -0.029 0.000 0.300 65 V C -0.549 175.732 176.094 0.312 0.000 1.115 65 V CA 0.361 62.849 62.300 0.313 0.000 0.912 65 V CB 1.302 33.177 31.823 0.086 0.000 1.024 65 V HN 0.917 nan 8.190 nan 0.000 0.431 66 T N 4.612 119.383 114.554 0.362 0.000 3.471 66 T HA 0.412 4.744 4.350 -0.029 0.000 0.081 66 T C 0.395 175.279 174.700 0.306 0.000 0.367 66 T CA 0.635 62.915 62.100 0.299 0.000 0.565 66 T CB -0.540 68.506 68.868 0.298 0.000 0.537 66 T HN 2.011 nan 8.240 nan 0.000 0.177 67 A N 0.667 123.670 122.820 0.304 0.000 2.393 67 A HA 0.277 4.580 4.320 -0.029 0.000 0.220 67 A C 0.982 178.695 177.584 0.215 0.000 2.881 67 A CA 0.868 53.051 52.037 0.243 0.000 1.592 67 A CB -1.157 17.946 19.000 0.172 0.000 0.194 67 A HN 0.651 nan 8.150 nan 0.000 0.569 68 Q N 0.324 120.274 119.800 0.250 0.000 2.624 68 Q HA -0.178 4.144 4.340 -0.029 0.000 0.489 68 Q C 0.538 176.598 176.000 0.101 0.000 0.568 68 Q CA 1.668 57.581 55.803 0.185 0.000 0.971 68 Q CB -1.188 27.725 28.738 0.292 0.000 2.404 68 Q HN 1.191 nan 8.270 nan 0.000 1.086 69 L N -1.426 119.857 121.223 0.099 0.000 2.333 69 L HA 0.724 5.046 4.340 -0.029 0.000 0.269 69 L C -2.461 174.446 176.870 0.062 0.000 1.010 69 L CA -2.390 52.465 54.840 0.024 0.000 0.818 69 L CB 1.749 43.780 42.059 -0.047 0.000 1.306 69 L HN 0.351 nan 8.230 nan 0.000 0.430 70 P HA 0.276 nan 4.420 nan 0.000 0.224 70 P C -1.632 175.684 177.300 0.026 0.000 1.784 70 P CA -0.219 62.899 63.100 0.031 0.000 1.198 70 P CB 0.770 32.471 31.700 0.003 0.000 1.654 71 Q N 0.907 120.739 119.800 0.053 0.000 4.218 71 Q HA 0.080 4.402 4.340 -0.029 0.000 0.143 71 Q C -1.175 174.865 176.000 0.067 0.000 0.803 71 Q CA -0.622 55.205 55.803 0.040 0.000 0.824 71 Q CB -0.895 27.845 28.738 0.004 0.000 1.548 71 Q HN 0.043 nan 8.270 nan 0.000 0.439 72 D N 1.794 122.252 120.400 0.098 0.000 5.453 72 D HA -0.149 4.473 4.640 -0.029 0.000 0.184 72 D C 0.811 177.177 176.300 0.111 0.000 1.232 72 D CA 1.207 55.278 54.000 0.118 0.000 0.735 72 D CB -1.065 39.792 40.800 0.095 0.000 1.253 72 D HN 0.683 nan 8.370 nan 0.000 0.654 73 C N -1.202 118.178 119.300 0.134 0.000 2.592 73 C HA 0.416 4.859 4.460 -0.029 0.000 0.408 73 C C 2.253 177.349 174.990 0.177 0.000 1.436 73 C CA -0.627 58.474 59.018 0.138 0.000 1.595 73 C CB -0.321 27.519 27.740 0.166 0.000 2.487 73 C HN 0.638 nan 8.230 nan 0.000 0.610 74 A N 3.493 126.375 122.820 0.104 0.000 1.698 74 A HA -0.346 3.956 4.320 -0.029 0.000 0.304 74 A C 1.634 179.224 177.584 0.009 0.000 3.354 74 A CA 2.911 54.965 52.037 0.027 0.000 0.884 74 A CB -1.959 17.016 19.000 -0.042 0.000 0.798 74 A HN 1.157 nan 8.150 nan 0.000 0.543 75 Y N -0.901 119.432 120.300 0.054 0.000 2.185 75 Y HA -0.145 4.387 4.550 -0.029 0.000 0.268 75 Y C 1.801 177.737 175.900 0.060 0.000 1.281 75 Y CA 2.150 60.283 58.100 0.054 0.000 1.101 75 Y CB -0.832 37.670 38.460 0.069 0.000 0.914 75 Y HN 1.456 nan 8.280 nan 0.000 0.517 76 G N 1.439 110.378 108.800 0.231 0.000 2.830 76 G HA2 -0.094 3.849 3.960 -0.029 0.000 0.298 76 G HA3 -0.094 3.849 3.960 -0.029 0.000 0.298 76 G C -0.673 174.397 174.900 0.283 0.000 1.031 76 G CA -0.393 44.828 45.100 0.202 0.000 1.179 76 G HN 0.468 nan 8.290 nan 0.000 0.527 77 D N -0.974 119.575 120.400 0.248 0.000 7.980 77 D HA -0.097 4.526 4.640 -0.029 0.000 0.340 77 D C 1.246 177.643 176.300 0.162 0.000 2.772 77 D CA 1.717 55.876 54.000 0.265 0.000 1.761 77 D CB -0.709 40.267 40.800 0.293 0.000 1.180 77 D HN 1.674 nan 8.370 nan 0.000 1.248 78 A N 0.191 123.100 122.820 0.148 0.000 2.503 78 A HA 0.194 4.496 4.320 -0.029 0.000 0.263 78 A C 1.393 178.858 177.584 -0.199 0.000 1.258 78 A CA 0.697 52.714 52.037 -0.033 0.000 0.936 78 A CB -0.511 18.711 19.000 0.370 0.000 1.070 78 A HN 0.575 nan 8.150 nan 0.000 0.522 79 Y N -0.495 119.608 120.300 -0.328 0.000 2.240 79 Y HA -0.380 4.152 4.550 -0.030 0.000 0.278 79 Y C 2.083 177.801 175.900 -0.303 0.000 1.247 79 Y CA 1.927 59.685 58.100 -0.570 0.000 1.183 79 Y CB -1.656 36.489 38.460 -0.526 0.000 0.956 79 Y HN 0.314 nan 8.280 nan 0.000 0.533 80 T N -0.014 114.221 114.554 -0.533 0.000 2.969 80 T HA -0.115 4.218 4.350 -0.029 0.000 0.271 80 T C 1.567 176.232 174.700 -0.060 0.000 1.127 80 T CA 1.155 63.039 62.100 -0.359 0.000 1.102 80 T CB -1.651 66.809 68.868 -0.680 0.000 0.855 80 T HN 1.215 nan 8.240 nan 0.000 0.536 81 G N 0.995 109.784 108.800 -0.018 0.000 2.385 81 G HA2 -0.262 3.680 3.960 -0.029 0.000 0.284 81 G HA3 -0.262 3.680 3.960 -0.029 0.000 0.284 81 G C -0.256 174.815 174.900 0.285 0.000 0.899 81 G CA 0.519 45.710 45.100 0.151 0.000 1.204 81 G HN 0.751 nan 8.290 nan 0.000 0.486 82 Y N -0.866 119.434 120.300 0.001 0.000 2.352 82 Y HA 0.601 5.133 4.550 -0.030 0.000 0.339 82 Y C 0.532 176.487 175.900 0.091 0.000 0.992 82 Y CA -1.226 56.896 58.100 0.035 0.000 1.100 82 Y CB 1.201 39.611 38.460 -0.084 0.000 1.192 82 Y HN 0.389 nan 8.280 nan 0.000 0.458 83 W N 0.247 121.705 121.300 0.263 0.000 3.572 83 W HA -0.061 4.582 4.660 -0.029 0.000 0.333 83 W C -1.437 175.216 176.519 0.224 0.000 0.246 83 W CA -1.359 56.120 57.345 0.223 0.000 0.564 83 W CB -0.343 29.222 29.460 0.175 0.000 1.036 83 W HN 0.420 nan 8.180 nan 0.000 0.460 84 Q N -0.065 119.972 119.800 0.396 0.000 4.085 84 Q HA 0.200 4.523 4.340 -0.029 0.000 0.116 84 Q C -0.390 175.758 176.000 0.247 0.000 0.725 84 Q CA 0.449 56.448 55.803 0.327 0.000 0.890 84 Q CB -0.191 28.773 28.738 0.377 0.000 1.522 84 Q HN 0.416 nan 8.270 nan 0.000 0.430 85 T N -0.248 114.399 114.554 0.155 0.000 3.240 85 T HA 0.271 4.603 4.350 -0.029 0.000 0.248 85 T C -0.012 174.728 174.700 0.067 0.000 0.929 85 T CA 0.789 62.898 62.100 0.017 0.000 0.939 85 T CB 0.039 68.844 68.868 -0.104 0.000 1.114 85 T HN 0.492 nan 8.240 nan 0.000 0.558 86 D N -0.115 120.386 120.400 0.170 0.000 1.520 86 D HA -0.027 4.596 4.640 -0.029 0.000 0.776 86 D C 0.516 176.937 176.300 0.203 0.000 0.570 86 D CA -0.300 53.795 54.000 0.159 0.000 1.290 86 D CB -0.587 40.299 40.800 0.145 0.000 1.181 86 D HN 0.423 nan 8.370 nan 0.000 0.425 87 I N 1.973 122.691 120.570 0.245 0.000 2.731 87 I HA -0.396 3.756 4.170 -0.029 0.000 0.126 87 I C -0.694 175.698 176.117 0.458 0.000 0.882 87 I CA 1.601 63.077 61.300 0.293 0.000 2.786 87 I CB -0.557 37.509 38.000 0.111 0.000 0.553 87 I HN 0.499 nan 8.210 nan 0.000 0.352 88 Y N 1.391 121.768 120.300 0.130 0.000 4.228 88 Y HA -0.209 4.324 4.550 -0.029 0.000 0.338 88 Y C 1.233 177.172 175.900 0.064 0.000 0.763 88 Y CA 0.682 58.834 58.100 0.086 0.000 1.281 88 Y CB -1.493 36.978 38.460 0.018 0.000 0.514 88 Y HN 0.526 nan 8.280 nan 0.000 0.372 89 S N -0.100 115.721 115.700 0.200 0.000 2.500 89 S HA 0.495 4.947 4.470 -0.029 0.000 0.174 89 S C -0.146 174.526 174.600 0.119 0.000 0.857 89 S CA 1.211 59.500 58.200 0.148 0.000 0.905 89 S CB 0.277 63.562 63.200 0.141 0.000 0.819 89 S HN 0.273 nan 8.310 nan 0.000 0.557 90 L N 2.628 123.934 121.223 0.139 0.000 1.321 90 L HA -0.072 4.250 4.340 -0.029 0.000 0.617 90 L C -0.187 176.809 176.870 0.210 0.000 1.041 90 L CA 0.004 54.928 54.840 0.140 0.000 1.299 90 L CB -1.854 40.256 42.059 0.084 0.000 2.180 90 L HN 0.591 nan 8.230 nan 0.000 1.069 91 N N 2.280 121.156 118.700 0.293 0.000 2.141 91 N HA -0.120 4.602 4.740 -0.029 0.000 0.205 91 N C 0.670 176.343 175.510 0.272 0.000 1.376 91 N CA 1.996 55.229 53.050 0.305 0.000 0.822 91 N CB 0.390 39.196 38.487 0.533 0.000 0.945 91 N HN 0.724 nan 8.380 nan 0.000 0.406 92 E N -1.894 118.441 120.200 0.226 0.000 2.552 92 E HA 0.083 4.415 4.350 -0.029 0.000 0.189 92 E C 0.539 177.186 176.600 0.079 0.000 0.970 92 E CA -0.174 56.313 56.400 0.146 0.000 1.571 92 E CB -0.324 29.421 29.700 0.074 0.000 2.223 92 E HN 0.347 nan 8.360 nan 0.000 1.018 93 N N 0.855 119.548 118.700 -0.011 0.000 2.120 93 N HA -0.127 4.595 4.740 -0.029 0.000 0.188 93 N C 1.054 176.554 175.510 -0.017 0.000 1.024 93 N CA 1.387 54.345 53.050 -0.153 0.000 0.852 93 N CB -0.290 37.832 38.487 -0.609 0.000 1.003 93 N HN 0.161 nan 8.380 nan 0.000 0.424 94 Y N -0.035 120.276 120.300 0.019 0.000 2.034 94 Y HA 0.057 4.589 4.550 -0.030 0.000 0.269 94 Y C 1.496 177.480 175.900 0.139 0.000 1.125 94 Y CA 1.408 59.531 58.100 0.037 0.000 1.097 94 Y CB -0.579 37.893 38.460 0.021 0.000 0.978 94 Y HN 0.142 nan 8.280 nan 0.000 0.480 95 G N -0.665 108.369 108.800 0.390 0.000 2.362 95 G HA2 0.337 4.280 3.960 -0.029 0.000 0.189 95 G HA3 0.337 4.280 3.960 -0.029 0.000 0.189 95 G C -0.588 174.447 174.900 0.225 0.000 1.374 95 G CA -0.385 44.860 45.100 0.241 0.000 1.140 95 G HN 0.901 nan 8.290 nan 0.000 0.611 96 T N -0.861 113.804 114.554 0.185 0.000 2.422 96 T HA 0.264 4.596 4.350 -0.029 0.000 0.524 96 T C 1.865 176.647 174.700 0.138 0.000 0.835 96 T CA 1.108 63.292 62.100 0.140 0.000 2.787 96 T CB -1.338 67.590 68.868 0.100 0.000 1.749 96 T HN 2.478 nan 8.240 nan 0.000 0.524 97 A N 4.182 127.093 122.820 0.153 0.000 2.018 97 A HA -0.343 3.960 4.320 -0.029 0.000 0.250 97 A C 2.002 179.677 177.584 0.153 0.000 2.130 97 A CA 3.099 55.253 52.037 0.194 0.000 0.912 97 A CB -1.648 17.474 19.000 0.203 0.000 0.799 97 A HN 1.407 nan 8.150 nan 0.000 0.504 98 D N -0.545 119.878 120.400 0.040 0.000 2.600 98 D HA -0.292 4.331 4.640 -0.029 0.000 0.194 98 D C 1.365 177.619 176.300 -0.076 0.000 1.040 98 D CA 2.371 56.322 54.000 -0.082 0.000 0.871 98 D CB -0.747 40.027 40.800 -0.043 0.000 0.973 98 D HN 0.516 nan 8.370 nan 0.000 0.470 99 D N 0.065 120.461 120.400 -0.006 0.000 2.200 99 D HA -0.209 4.413 4.640 -0.029 0.000 0.192 99 D C 2.168 178.468 176.300 -0.001 0.000 1.008 99 D CA 0.709 54.718 54.000 0.014 0.000 0.872 99 D CB -0.682 40.158 40.800 0.067 0.000 0.923 99 D HN 0.348 nan 8.370 nan 0.000 0.447 100 L N 0.377 121.598 121.223 -0.004 0.000 1.970 100 L HA -0.262 4.060 4.340 -0.029 0.000 0.212 100 L C 2.219 179.057 176.870 -0.053 0.000 1.071 100 L CA 1.727 56.532 54.840 -0.058 0.000 0.751 100 L CB -0.124 41.893 42.059 -0.070 0.000 0.889 100 L HN 0.032 nan 8.230 nan 0.000 0.432 101 K N -0.400 119.943 120.400 -0.096 0.000 2.103 101 K HA -0.188 4.114 4.320 -0.029 0.000 0.207 101 K C 2.041 178.580 176.600 -0.103 0.000 1.048 101 K CA 1.335 57.530 56.287 -0.153 0.000 0.930 101 K CB -0.369 31.918 32.500 -0.355 0.000 0.716 101 K HN 0.435 nan 8.250 nan 0.000 0.444 102 A N 2.379 125.145 122.820 -0.090 0.000 1.851 102 A HA -0.177 4.126 4.320 -0.029 0.000 0.216 102 A C 2.112 179.688 177.584 -0.012 0.000 1.195 102 A CA 1.272 53.280 52.037 -0.048 0.000 0.622 102 A CB -0.797 18.180 19.000 -0.038 0.000 0.831 102 A HN 0.273 nan 8.150 nan 0.000 0.444 103 L N 0.267 121.492 121.223 0.002 0.000 2.021 103 L HA -0.197 4.125 4.340 -0.029 0.000 0.215 103 L C 2.511 179.407 176.870 0.043 0.000 1.074 103 L CA 3.067 57.925 54.840 0.029 0.000 0.760 103 L CB -1.199 40.872 42.059 0.019 0.000 0.889 103 L HN 0.515 nan 8.230 nan 0.000 0.433 104 S N -1.120 114.604 115.700 0.040 0.000 2.325 104 S HA -0.179 4.273 4.470 -0.029 0.000 0.213 104 S C 2.145 176.830 174.600 0.141 0.000 1.031 104 S CA 1.607 59.881 58.200 0.123 0.000 0.984 104 S CB -0.373 62.908 63.200 0.135 0.000 0.939 104 S HN 0.578 nan 8.310 nan 0.000 0.438 105 S N 1.286 116.998 115.700 0.020 0.000 2.399 105 S HA -0.240 4.212 4.470 -0.029 0.000 0.235 105 S C 1.974 176.596 174.600 0.037 0.000 1.063 105 S CA 1.568 59.754 58.200 -0.024 0.000 1.070 105 S CB -1.043 62.121 63.200 -0.060 0.000 0.904 105 S HN 0.752 nan 8.310 nan 0.000 0.456 106 A N 1.638 124.478 122.820 0.035 0.000 1.827 106 A HA -0.102 4.200 4.320 -0.029 0.000 0.215 106 A C 2.192 179.800 177.584 0.040 0.000 1.212 106 A CA 1.897 53.953 52.037 0.032 0.000 0.624 106 A CB -1.271 17.745 19.000 0.027 0.000 0.853 106 A HN 0.662 nan 8.150 nan 0.000 0.450 107 L N -1.718 119.530 121.223 0.043 0.000 2.051 107 L HA -0.280 4.042 4.340 -0.029 0.000 0.214 107 L C 2.267 179.130 176.870 -0.011 0.000 1.076 107 L CA 3.073 57.923 54.840 0.018 0.000 0.758 107 L CB -1.264 40.805 42.059 0.017 0.000 0.890 107 L HN 0.522 nan 8.230 nan 0.000 0.433 108 H N -0.099 118.947 119.070 -0.039 0.000 2.426 108 H HA -0.161 4.378 4.556 -0.028 0.000 0.298 108 H C 2.151 177.423 175.328 -0.094 0.000 1.107 108 H CA 2.259 58.258 56.048 -0.081 0.000 1.298 108 H CB 0.047 29.760 29.762 -0.081 0.000 1.377 108 H HN 0.628 nan 8.280 nan 0.000 0.519 109 E N -0.286 119.948 120.200 0.057 0.000 2.021 109 E HA -0.165 4.167 4.350 -0.029 0.000 0.189 109 E C 2.382 178.972 176.600 -0.018 0.000 0.980 109 E CA 0.927 57.331 56.400 0.006 0.000 0.803 109 E CB -0.046 29.659 29.700 0.009 0.000 0.766 109 E HN 0.517 nan 8.360 nan 0.000 0.449 110 R N 0.998 121.490 120.500 -0.012 0.000 2.103 110 R HA -0.078 4.245 4.340 -0.029 0.000 0.242 110 R C 0.670 176.952 176.300 -0.029 0.000 1.142 110 R CA 1.654 57.745 56.100 -0.016 0.000 0.960 110 R CB -0.268 30.030 30.300 -0.003 0.000 0.858 110 R HN 0.167 nan 8.270 nan 0.000 0.439 111 G N -1.338 107.431 108.800 -0.052 0.000 2.347 111 G HA2 0.306 4.248 3.960 -0.029 0.000 0.321 111 G HA3 0.306 4.248 3.960 -0.029 0.000 0.321 111 G C -0.835 174.016 174.900 -0.081 0.000 1.412 111 G CA -0.496 44.562 45.100 -0.070 0.000 0.990 111 G HN 0.365 nan 8.290 nan 0.000 0.637 112 M N -1.809 117.747 119.600 -0.074 0.000 7.319 112 M HA -0.107 4.355 4.480 -0.029 0.000 0.111 112 M C -0.750 175.486 176.300 -0.108 0.000 0.480 112 M CA 0.367 55.657 55.300 -0.018 0.000 1.311 112 M CB -0.579 32.039 32.600 0.031 0.000 0.421 112 M HN 1.020 nan 8.290 nan 0.000 0.583 113 Y N -0.483 119.707 120.300 -0.183 0.000 2.693 113 Y HA 0.815 5.346 4.550 -0.031 0.000 0.331 113 Y C -0.805 175.142 175.900 0.078 0.000 1.092 113 Y CA -0.913 57.076 58.100 -0.185 0.000 1.131 113 Y CB 1.321 39.537 38.460 -0.406 0.000 1.318 113 Y HN 0.472 nan 8.280 nan 0.000 0.510 114 L N 3.180 124.686 121.223 0.472 0.000 2.316 114 L HA 0.424 4.747 4.340 -0.029 0.000 0.280 114 L C -1.230 175.876 176.870 0.393 0.000 1.006 114 L CA -0.361 54.708 54.840 0.383 0.000 0.836 114 L CB 1.111 43.364 42.059 0.324 0.000 1.221 114 L HN 0.646 nan 8.230 nan 0.000 0.418 115 M N 4.880 124.648 119.600 0.281 0.000 2.055 115 M HA 0.208 4.670 4.480 -0.029 0.000 0.347 115 M C -0.809 175.578 176.300 0.145 0.000 1.123 115 M CA -0.344 55.024 55.300 0.114 0.000 1.035 115 M CB 1.621 34.215 32.600 -0.010 0.000 1.484 115 M HN 0.257 nan 8.290 nan 0.000 0.428 116 V N 5.590 125.547 119.914 0.071 0.000 2.318 116 V HA 0.171 4.274 4.120 -0.029 0.000 0.271 116 V C -0.579 175.556 176.094 0.068 0.000 1.030 116 V CA -0.420 61.924 62.300 0.073 0.000 0.844 116 V CB 1.246 33.081 31.823 0.019 0.000 1.015 116 V HN 0.654 nan 8.190 nan 0.000 0.460 117 D N 5.477 125.946 120.400 0.114 0.000 2.346 117 D HA 0.242 4.865 4.640 -0.029 0.000 0.260 117 D C -0.343 175.942 176.300 -0.025 0.000 1.252 117 D CA 0.408 54.440 54.000 0.054 0.000 0.895 117 D CB 1.169 42.018 40.800 0.082 0.000 1.097 117 D HN 0.329 nan 8.370 nan 0.000 0.489 118 V N 4.448 124.368 119.914 0.011 0.000 2.581 118 V HA 0.221 4.323 4.120 -0.029 0.000 0.303 118 V C 0.834 176.910 176.094 -0.031 0.000 1.041 118 V CA -0.814 61.539 62.300 0.088 0.000 0.907 118 V CB 1.954 33.945 31.823 0.280 0.000 0.994 118 V HN 0.383 nan 8.190 nan 0.000 0.442 119 V N 4.494 124.379 119.914 -0.049 0.000 3.099 119 V HA 0.251 4.354 4.120 -0.029 0.000 0.356 119 V C 1.813 177.696 176.094 -0.352 0.000 1.364 119 V CA 0.862 63.036 62.300 -0.210 0.000 1.229 119 V CB -0.187 31.507 31.823 -0.215 0.000 1.227 119 V HN 1.123 nan 8.190 nan 0.000 0.493 120 A N 1.140 123.716 122.820 -0.407 0.000 1.885 120 A HA -0.498 3.804 4.320 -0.029 0.000 0.260 120 A C 1.892 178.857 177.584 -1.031 0.000 2.398 120 A CA 3.235 54.604 52.037 -1.112 0.000 0.786 120 A CB -1.584 16.814 19.000 -1.003 0.000 0.834 120 A HN 0.814 nan 8.150 nan 0.000 0.548 121 N N -0.343 117.948 118.700 -0.682 0.000 2.023 121 N HA -0.218 4.504 4.740 -0.029 0.000 0.200 121 N C 0.557 175.978 175.510 -0.150 0.000 1.048 121 N CA 1.848 54.648 53.050 -0.417 0.000 0.872 121 N CB -0.298 38.039 38.487 -0.251 0.000 1.070 121 N HN 0.907 nan 8.380 nan 0.000 0.441 122 H N -1.284 117.725 119.070 -0.102 0.000 2.562 122 H HA 0.278 4.817 4.556 -0.029 0.000 0.314 122 H C 0.150 175.523 175.328 0.075 0.000 1.079 122 H CA -0.766 55.250 56.048 -0.053 0.000 1.349 122 H CB 1.080 30.826 29.762 -0.028 0.000 1.432 122 H HN 0.131 nan 8.280 nan 0.000 0.479 123 M N 2.969 122.683 119.600 0.190 0.000 2.530 123 M HA 0.176 4.639 4.480 -0.029 0.000 0.231 123 M C 0.599 177.007 176.300 0.179 0.000 1.180 123 M CA 0.188 55.696 55.300 0.347 0.000 0.985 123 M CB -0.639 32.228 32.600 0.444 0.000 1.623 123 M HN 1.174 nan 8.290 nan 0.000 0.475 124 G N 2.281 111.031 108.800 -0.083 0.000 2.344 124 G HA2 -0.291 3.652 3.960 -0.029 0.000 0.204 124 G HA3 -0.291 3.652 3.960 -0.029 0.000 0.204 124 G C -0.867 173.689 174.900 -0.574 0.000 0.347 124 G CA 0.202 44.921 45.100 -0.634 0.000 1.000 124 G HN 0.679 nan 8.290 nan 0.000 0.408 125 Y N 2.027 122.029 120.300 -0.497 0.000 2.331 125 Y HA 0.493 5.025 4.550 -0.029 0.000 0.334 125 Y C 0.209 175.947 175.900 -0.269 0.000 0.960 125 Y CA -1.433 56.437 58.100 -0.384 0.000 1.130 125 Y CB 1.599 39.880 38.460 -0.299 0.000 1.164 125 Y HN 0.484 nan 8.280 nan 0.000 0.458 126 D N 4.262 124.124 120.400 -0.896 0.000 2.412 126 D HA 0.438 5.061 4.640 -0.029 0.000 0.257 126 D C 0.238 176.040 176.300 -0.830 0.000 1.217 126 D CA 2.481 56.087 54.000 -0.655 0.000 0.897 126 D CB 0.195 40.720 40.800 -0.459 0.000 1.132 126 D HN 1.037 nan 8.370 nan 0.000 0.493 127 G N 1.642 110.261 108.800 -0.302 0.000 2.353 127 G HA2 0.411 4.353 3.960 -0.029 0.000 0.424 127 G HA3 0.411 4.353 3.960 -0.029 0.000 0.424 127 G C -1.343 173.649 174.900 0.154 0.000 1.320 127 G CA -0.458 44.605 45.100 -0.062 0.000 0.995 127 G HN 0.658 nan 8.290 nan 0.000 0.580 128 A N -0.493 122.404 122.820 0.128 0.000 2.324 128 A HA 0.830 5.133 4.320 -0.029 0.000 0.330 128 A C 1.632 179.121 177.584 -0.159 0.000 1.165 128 A CA 0.738 52.796 52.037 0.036 0.000 0.813 128 A CB 1.215 20.198 19.000 -0.029 0.000 1.197 128 A HN 2.477 nan 8.150 nan 0.000 0.484 129 G N 1.000 109.497 108.800 -0.505 0.000 2.606 129 G HA2 -0.278 3.664 3.960 -0.029 0.000 0.221 129 G HA3 -0.278 3.664 3.960 -0.029 0.000 0.221 129 G C 1.582 176.066 174.900 -0.694 0.000 1.152 129 G CA 1.696 46.224 45.100 -0.954 0.000 0.765 129 G HN 0.732 nan 8.290 nan 0.000 0.595 130 S N -0.196 115.096 115.700 -0.680 0.000 2.419 130 S HA -0.065 4.387 4.470 -0.029 0.000 0.235 130 S C 2.295 176.776 174.600 -0.198 0.000 1.019 130 S CA 1.232 59.212 58.200 -0.366 0.000 0.982 130 S CB -0.157 62.858 63.200 -0.309 0.000 0.789 130 S HN 0.369 nan 8.310 nan 0.000 0.490 131 S N 0.602 116.210 115.700 -0.153 0.000 2.575 131 S HA 0.197 4.649 4.470 -0.029 0.000 0.215 131 S C 0.532 175.097 174.600 -0.057 0.000 0.966 131 S CA -0.269 57.907 58.200 -0.040 0.000 0.911 131 S CB -0.163 63.057 63.200 0.033 0.000 0.780 131 S HN 0.262 nan 8.310 nan 0.000 0.514 132 V N 2.175 121.942 119.914 -0.245 0.000 2.832 132 V HA -0.095 4.008 4.120 -0.029 0.000 0.299 132 V C 1.174 176.859 176.094 -0.681 0.000 1.201 132 V CA 1.042 62.961 62.300 -0.635 0.000 1.325 132 V CB 0.839 32.325 31.823 -0.561 0.000 0.871 132 V HN 0.458 nan 8.190 nan 0.000 0.509 133 D N 3.301 123.039 120.400 -1.103 0.000 2.805 133 D HA 0.044 4.667 4.640 -0.029 0.000 0.271 133 D C 0.796 176.972 176.300 -0.206 0.000 1.166 133 D CA 1.584 55.306 54.000 -0.464 0.000 1.004 133 D CB 0.160 40.810 40.800 -0.251 0.000 1.136 133 D HN 0.743 nan 8.370 nan 0.000 0.444 134 Y N -0.545 119.777 120.300 0.037 0.000 3.294 134 Y HA -0.277 4.255 4.550 -0.029 0.000 0.430 134 Y C 1.869 177.999 175.900 0.383 0.000 1.338 134 Y CA 1.003 59.274 58.100 0.285 0.000 2.150 134 Y CB -2.019 36.544 38.460 0.173 0.000 0.891 134 Y HN 0.136 nan 8.280 nan 0.000 0.462 135 S N -0.197 115.695 115.700 0.320 0.000 2.436 135 S HA 0.064 4.516 4.470 -0.029 0.000 0.228 135 S C 0.930 175.646 174.600 0.194 0.000 1.014 135 S CA 0.917 59.264 58.200 0.245 0.000 0.950 135 S CB -0.170 63.118 63.200 0.146 0.000 0.784 135 S HN 0.167 nan 8.310 nan 0.000 0.504 136 V N 2.933 122.891 119.914 0.073 0.000 1.973 136 V HA 0.305 4.407 4.120 -0.029 0.000 0.255 136 V C -0.794 175.163 176.094 -0.227 0.000 1.605 136 V CA 0.389 62.626 62.300 -0.103 0.000 1.542 136 V CB -1.082 30.621 31.823 -0.201 0.000 1.504 136 V HN 0.473 nan 8.190 nan 0.000 0.505 137 F N 0.990 121.048 119.950 0.180 0.000 2.438 137 F HA 0.358 4.867 4.527 -0.030 0.000 0.381 137 F C 0.740 176.714 175.800 0.288 0.000 1.448 137 F CA -1.047 57.149 58.000 0.327 0.000 1.070 137 F CB 0.452 39.796 39.000 0.573 0.000 1.432 137 F HN 0.145 nan 8.300 nan 0.000 0.504 138 K N 1.634 122.146 120.400 0.186 0.000 2.180 138 K HA 0.215 4.517 4.320 -0.029 0.000 0.251 138 K C -1.565 174.808 176.600 -0.379 0.000 1.014 138 K CA -1.088 55.111 56.287 -0.147 0.000 0.913 138 K CB -0.121 32.306 32.500 -0.121 0.000 1.008 138 K HN -0.110 nan 8.250 nan 0.000 0.490 139 P HA -0.272 nan 4.420 nan 0.000 0.022 139 P C -1.136 175.271 177.300 -1.488 0.000 0.927 139 P CA 1.628 63.904 63.100 -1.372 0.000 1.032 139 P CB -0.542 30.206 31.700 -1.587 0.000 1.900 140 F N -3.039 116.651 119.950 -0.434 0.000 2.726 140 F HA 0.621 5.130 4.527 -0.030 0.000 0.324 140 F C 1.495 177.263 175.800 -0.054 0.000 1.140 140 F CA -0.067 57.635 58.000 -0.497 0.000 0.964 140 F CB 0.922 39.732 39.000 -0.317 0.000 1.399 140 F HN -0.256 nan 8.300 nan 0.000 0.491 141 S N -1.181 114.721 115.700 0.337 0.000 1.773 141 S HA 0.121 4.573 4.470 -0.029 0.000 0.203 141 S C -0.297 174.523 174.600 0.366 0.000 0.762 141 S CA 0.282 58.660 58.200 0.297 0.000 1.503 141 S CB -0.519 62.778 63.200 0.163 0.000 0.926 141 S HN 0.465 nan 8.310 nan 0.000 0.380 142 S N 1.297 117.288 115.700 0.484 0.000 2.758 142 S HA 0.456 4.909 4.470 -0.029 0.000 0.292 142 S C 0.832 175.621 174.600 0.315 0.000 1.131 142 S CA -0.014 58.368 58.200 0.304 0.000 0.997 142 S CB 1.675 64.950 63.200 0.125 0.000 1.111 142 S HN 0.604 nan 8.310 nan 0.000 0.552 143 Q N 0.642 120.352 119.800 -0.150 0.000 2.165 143 Q HA 0.072 4.394 4.340 -0.029 0.000 0.197 143 Q C 0.700 176.648 176.000 -0.086 0.000 0.952 143 Q CA 1.218 56.843 55.803 -0.298 0.000 0.848 143 Q CB -0.624 27.229 28.738 -1.474 0.000 0.931 143 Q HN 0.471 nan 8.270 nan 0.000 0.470 144 D N 0.527 120.752 120.400 -0.292 0.000 2.612 144 D HA -0.251 4.371 4.640 -0.029 0.000 0.191 144 D C 1.321 177.380 176.300 -0.401 0.000 1.061 144 D CA 1.870 55.640 54.000 -0.383 0.000 0.912 144 D CB -0.355 40.133 40.800 -0.520 0.000 0.891 144 D HN 0.530 nan 8.370 nan 0.000 0.463 145 Y N -1.088 119.036 120.300 -0.293 0.000 2.373 145 Y HA 0.054 4.586 4.550 -0.029 0.000 0.293 145 Y C 1.180 176.755 175.900 -0.542 0.000 1.129 145 Y CA -0.143 57.723 58.100 -0.390 0.000 1.226 145 Y CB -0.405 37.808 38.460 -0.412 0.000 1.000 145 Y HN -0.132 nan 8.280 nan 0.000 0.549 146 F N -1.085 118.848 119.950 -0.029 0.000 2.173 146 F HA 0.248 4.757 4.527 -0.030 0.000 0.280 146 F C 1.055 176.890 175.800 0.058 0.000 1.175 146 F CA -0.653 57.297 58.000 -0.083 0.000 1.166 146 F CB -0.135 38.799 39.000 -0.111 0.000 1.589 146 F HN -0.050 nan 8.300 nan 0.000 0.513 147 H N -0.252 118.947 119.070 0.216 0.000 2.927 147 H HA 0.387 4.925 4.556 -0.029 0.000 0.316 147 H C -2.338 173.200 175.328 0.351 0.000 1.403 147 H CA -1.709 54.446 56.048 0.178 0.000 1.288 147 H CB 1.960 31.768 29.762 0.077 0.000 1.944 147 H HN 0.212 nan 8.280 nan 0.000 0.629 148 P HA 0.106 nan 4.420 nan 0.000 0.302 148 P C -1.103 176.453 177.300 0.427 0.000 1.301 148 P CA -0.133 63.104 63.100 0.227 0.000 0.745 148 P CB 0.937 32.673 31.700 0.059 0.000 1.331 149 F N 0.842 120.750 119.950 -0.070 0.000 2.577 149 F HA 0.453 4.962 4.527 -0.029 0.000 0.344 149 F C -0.944 174.710 175.800 -0.244 0.000 1.145 149 F CA -0.380 57.299 58.000 -0.536 0.000 0.996 149 F CB 0.559 38.881 39.000 -1.129 0.000 1.248 149 F HN 0.464 nan 8.300 nan 0.000 0.447 150 c N 3.032 121.459 118.600 -0.288 0.000 2.701 150 c HA 0.528 5.081 4.570 -0.029 0.000 0.336 150 c C -0.705 173.224 174.090 -0.268 0.000 1.123 150 c CA -1.351 54.852 56.329 -0.210 0.000 1.326 150 c CB 0.031 42.535 42.510 -0.010 0.000 1.833 150 c HN 0.741 nan 8.230 nan 0.000 0.473 151 F N 2.961 122.766 119.950 -0.241 0.000 2.518 151 F HA 0.257 4.766 4.527 -0.030 0.000 0.375 151 F C 1.170 176.894 175.800 -0.126 0.000 1.097 151 F CA -0.073 57.822 58.000 -0.176 0.000 1.108 151 F CB 0.208 39.147 39.000 -0.102 0.000 1.078 151 F HN 0.463 nan 8.300 nan 0.000 0.564 152 I N 5.450 126.018 120.570 -0.003 0.000 3.022 152 I HA -0.120 4.032 4.170 -0.029 0.000 0.290 152 I C 0.120 176.131 176.117 -0.176 0.000 1.212 152 I CA 0.781 61.996 61.300 -0.141 0.000 1.377 152 I CB -0.619 37.236 38.000 -0.240 0.000 1.417 152 I HN 0.545 nan 8.210 nan 0.000 0.540 153 Q N 5.054 124.740 119.800 -0.190 0.000 2.435 153 Q HA 0.390 4.712 4.340 -0.029 0.000 0.282 153 Q C -0.205 175.742 176.000 -0.088 0.000 1.020 153 Q CA -1.102 54.660 55.803 -0.068 0.000 0.820 153 Q CB 1.714 30.469 28.738 0.029 0.000 1.436 153 Q HN 0.497 nan 8.270 nan 0.000 0.395 154 N N -0.235 118.464 118.700 -0.002 0.000 2.926 154 N HA -0.234 4.488 4.740 -0.029 0.000 0.249 154 N C -0.630 174.878 175.510 -0.002 0.000 1.100 154 N CA 1.308 54.365 53.050 0.011 0.000 0.777 154 N CB -1.787 36.693 38.487 -0.012 0.000 1.112 154 N HN 0.895 nan 8.380 nan 0.000 0.552 155 Y N 0.227 120.531 120.300 0.007 0.000 2.244 155 Y HA -0.435 4.097 4.550 -0.029 0.000 0.217 155 Y C 2.304 178.204 175.900 0.001 0.000 1.315 155 Y CA 3.086 61.190 58.100 0.007 0.000 0.957 155 Y CB -0.967 37.493 38.460 0.001 0.000 0.746 155 Y HN 0.482 nan 8.280 nan 0.000 0.545 156 E N 0.101 120.387 120.200 0.144 0.000 2.164 156 E HA -0.310 4.023 4.350 -0.029 0.000 0.206 156 E C 1.984 178.603 176.600 0.031 0.000 1.032 156 E CA 1.544 57.983 56.400 0.066 0.000 0.832 156 E CB -0.554 29.176 29.700 0.051 0.000 0.742 156 E HN 0.656 nan 8.360 nan 0.000 0.460 157 D N 0.286 120.696 120.400 0.016 0.000 2.355 157 D HA -0.347 4.275 4.640 -0.029 0.000 0.192 157 D C 0.396 176.704 176.300 0.014 0.000 1.014 157 D CA 2.082 56.085 54.000 0.005 0.000 0.862 157 D CB -0.080 40.711 40.800 -0.015 0.000 0.986 157 D HN 0.172 nan 8.370 nan 0.000 0.456 158 Q N -0.727 119.078 119.800 0.007 0.000 2.478 158 Q HA -0.136 4.186 4.340 -0.029 0.000 0.286 158 Q C -0.442 175.574 176.000 0.026 0.000 1.299 158 Q CA 1.207 57.030 55.803 0.034 0.000 0.826 158 Q CB -2.100 26.684 28.738 0.077 0.000 1.199 158 Q HN 0.549 nan 8.270 nan 0.000 0.451 159 T N -1.666 112.889 114.554 0.002 0.000 3.541 159 T HA 0.299 4.632 4.350 -0.029 0.000 0.309 159 T C 0.896 175.590 174.700 -0.010 0.000 0.973 159 T CA 0.070 62.172 62.100 0.003 0.000 0.993 159 T CB 0.440 69.312 68.868 0.007 0.000 1.206 159 T HN 0.282 nan 8.240 nan 0.000 0.489 160 Q N -0.448 119.333 119.800 -0.033 0.000 2.039 160 Q HA 0.135 4.457 4.340 -0.029 0.000 0.153 160 Q C 1.804 177.740 176.000 -0.108 0.000 0.617 160 Q CA 0.409 56.177 55.803 -0.058 0.000 0.885 160 Q CB -0.137 28.555 28.738 -0.076 0.000 1.090 160 Q HN 0.124 nan 8.270 nan 0.000 0.300 161 V N 2.854 122.678 119.914 -0.150 0.000 2.396 161 V HA -0.369 3.733 4.120 -0.029 0.000 0.268 161 V C 1.667 177.686 176.094 -0.124 0.000 1.129 161 V CA 2.930 65.129 62.300 -0.167 0.000 1.118 161 V CB -0.334 31.455 31.823 -0.057 0.000 0.707 161 V HN 0.615 nan 8.190 nan 0.000 0.458 162 E N -2.098 118.054 120.200 -0.080 0.000 2.474 162 E HA 0.002 4.334 4.350 -0.029 0.000 0.195 162 E C 1.000 177.469 176.600 -0.219 0.000 1.039 162 E CA 0.865 57.203 56.400 -0.103 0.000 0.881 162 E CB 0.116 29.796 29.700 -0.034 0.000 0.970 162 E HN 0.787 nan 8.360 nan 0.000 0.486 163 D N -0.151 120.092 120.400 -0.263 0.000 2.829 163 D HA 0.089 4.712 4.640 -0.029 0.000 0.250 163 D C 0.691 176.640 176.300 -0.585 0.000 1.304 163 D CA -0.206 53.484 54.000 -0.515 0.000 1.197 163 D CB -0.810 39.962 40.800 -0.046 0.000 1.501 163 D HN 0.061 nan 8.370 nan 0.000 0.424 164 c N 1.133 119.642 118.600 -0.152 0.000 2.950 164 c HA -0.093 4.459 4.570 -0.029 0.000 0.326 164 c C 0.230 174.300 174.090 -0.034 0.000 1.336 164 c CA 0.143 56.473 56.329 0.002 0.000 1.813 164 c CB -0.172 42.310 42.510 -0.047 0.000 2.276 164 c HN 0.296 nan 8.230 nan 0.000 0.702 165 W N 1.162 122.274 121.300 -0.312 0.000 2.316 165 W HA 0.526 5.169 4.660 -0.029 0.000 0.311 165 W C -0.010 176.265 176.519 -0.407 0.000 1.217 165 W CA -0.089 57.010 57.345 -0.411 0.000 1.199 165 W CB 0.350 29.359 29.460 -0.751 0.000 1.202 165 W HN 0.377 nan 8.180 nan 0.000 0.528 166 L N 4.664 125.729 121.223 -0.263 0.000 2.260 166 L HA 0.727 5.050 4.340 -0.029 0.000 0.289 166 L C 0.740 177.516 176.870 -0.158 0.000 1.057 166 L CA 0.548 55.243 54.840 -0.242 0.000 0.811 166 L CB 0.052 41.910 42.059 -0.333 0.000 1.184 166 L HN 0.652 nan 8.230 nan 0.000 0.429 167 G N 3.261 112.042 108.800 -0.031 0.000 2.278 167 G HA2 0.057 3.999 3.960 -0.029 0.000 0.265 167 G HA3 0.057 3.999 3.960 -0.029 0.000 0.265 167 G C -2.044 172.988 174.900 0.220 0.000 1.329 167 G CA -0.160 44.979 45.100 0.065 0.000 1.017 167 G HN 0.673 nan 8.290 nan 0.000 0.472 168 D N -0.176 120.372 120.400 0.246 0.000 2.365 168 D HA 0.312 4.935 4.640 -0.029 0.000 0.235 168 D C 0.687 177.186 176.300 0.331 0.000 1.368 168 D CA -0.562 53.662 54.000 0.373 0.000 1.001 168 D CB 0.691 41.658 40.800 0.279 0.000 1.364 168 D HN 0.260 nan 8.370 nan 0.000 0.577 169 N N 1.326 120.255 118.700 0.381 0.000 1.887 169 N HA -0.364 4.358 4.740 -0.029 0.000 0.138 169 N C 1.488 177.120 175.510 0.202 0.000 0.562 169 N CA 3.426 56.642 53.050 0.277 0.000 0.831 169 N CB -1.282 37.362 38.487 0.262 0.000 0.819 169 N HN 0.643 nan 8.380 nan 0.000 1.287 170 T N -0.746 113.941 114.554 0.222 0.000 2.771 170 T HA -0.163 4.169 4.350 -0.029 0.000 0.262 170 T C 0.914 175.742 174.700 0.213 0.000 1.027 170 T CA 1.689 63.946 62.100 0.262 0.000 1.159 170 T CB -0.197 68.961 68.868 0.484 0.000 0.844 170 T HN 0.288 nan 8.240 nan 0.000 0.478 171 V N 0.546 120.557 119.914 0.162 0.000 2.852 171 V HA 0.480 4.582 4.120 -0.029 0.000 0.300 171 V C -1.601 174.583 176.094 0.150 0.000 1.205 171 V CA -0.811 61.543 62.300 0.090 0.000 0.940 171 V CB 2.572 34.445 31.823 0.083 0.000 1.047 171 V HN 0.302 nan 8.190 nan 0.000 0.429 172 S N 6.445 122.254 115.700 0.181 0.000 2.577 172 S HA 0.542 4.994 4.470 -0.029 0.000 0.294 172 S C -0.473 174.204 174.600 0.129 0.000 1.161 172 S CA -0.546 57.862 58.200 0.348 0.000 1.143 172 S CB 0.746 64.393 63.200 0.746 0.000 0.991 172 S HN 0.658 nan 8.310 nan 0.000 0.475 173 L N 4.058 125.257 121.223 -0.041 0.000 2.546 173 L HA 0.178 4.500 4.340 -0.029 0.000 0.272 173 L C -1.950 174.665 176.870 -0.425 0.000 1.327 173 L CA -1.317 53.419 54.840 -0.173 0.000 1.199 173 L CB -0.813 41.087 42.059 -0.265 0.000 1.401 173 L HN 0.374 nan 8.230 nan 0.000 0.440 174 P HA -0.178 nan 4.420 nan 0.000 0.255 174 P C -0.368 176.468 177.300 -0.774 0.000 1.151 174 P CA 0.322 62.823 63.100 -0.998 0.000 0.767 174 P CB 0.383 31.744 31.700 -0.565 0.000 0.736 175 D N 3.519 123.253 120.400 -1.110 0.000 2.325 175 D HA 0.284 4.906 4.640 -0.029 0.000 0.251 175 D C -0.226 175.981 176.300 -0.154 0.000 1.196 175 D CA -0.149 53.531 54.000 -0.534 0.000 0.866 175 D CB 0.186 40.628 40.800 -0.596 0.000 1.101 175 D HN 0.183 nan 8.370 nan 0.000 0.476 176 L N 3.367 124.528 121.223 -0.102 0.000 2.334 176 L HA 0.412 4.734 4.340 -0.029 0.000 0.275 176 L C -0.460 176.367 176.870 -0.072 0.000 1.036 176 L CA -0.139 54.660 54.840 -0.068 0.000 0.807 176 L CB 1.138 43.140 42.059 -0.096 0.000 1.231 176 L HN 0.357 nan 8.230 nan 0.000 0.438 177 D N 1.347 121.759 120.400 0.020 0.000 3.488 177 D HA -0.103 4.519 4.640 -0.029 0.000 0.119 177 D C -0.022 176.396 176.300 0.196 0.000 0.791 177 D CA 0.050 54.079 54.000 0.050 0.000 2.021 177 D CB 0.093 40.845 40.800 -0.081 0.000 0.649 177 D HN 0.505 nan 8.370 nan 0.000 0.901 178 T N 0.317 114.929 114.554 0.098 0.000 3.227 178 T HA -0.010 4.323 4.350 -0.029 0.000 0.257 178 T C 0.475 175.200 174.700 0.041 0.000 1.162 178 T CA 1.542 63.667 62.100 0.041 0.000 1.051 178 T CB -0.082 68.769 68.868 -0.029 0.000 0.953 178 T HN 0.494 nan 8.240 nan 0.000 0.535 179 T N 2.939 117.541 114.554 0.080 0.000 3.389 179 T HA -0.107 4.226 4.350 -0.029 0.000 0.422 179 T C -0.542 174.181 174.700 0.039 0.000 0.767 179 T CA 0.572 62.707 62.100 0.058 0.000 2.199 179 T CB -1.272 67.632 68.868 0.059 0.000 1.700 179 T HN 0.615 nan 8.240 nan 0.000 0.698 180 K N 0.868 121.297 120.400 0.049 0.000 3.050 180 K HA 0.072 4.375 4.320 -0.029 0.000 0.385 180 K C -0.005 176.638 176.600 0.072 0.000 1.321 180 K CA 0.669 56.986 56.287 0.050 0.000 1.048 180 K CB -0.400 32.118 32.500 0.030 0.000 1.279 180 K HN 0.216 nan 8.250 nan 0.000 0.441 181 D N 1.543 121.998 120.400 0.092 0.000 4.198 181 D HA -0.353 4.270 4.640 -0.029 0.000 0.350 181 D C 1.611 177.997 176.300 0.143 0.000 1.343 181 D CA 3.271 57.341 54.000 0.117 0.000 1.540 181 D CB -0.621 40.227 40.800 0.080 0.000 0.823 181 D HN 0.504 nan 8.370 nan 0.000 0.790 182 V N -0.230 119.751 119.914 0.112 0.000 2.282 182 V HA -0.370 3.732 4.120 -0.029 0.000 0.241 182 V C 2.439 178.647 176.094 0.190 0.000 1.005 182 V CA 3.690 66.069 62.300 0.131 0.000 1.033 182 V CB -1.172 30.703 31.823 0.087 0.000 0.677 182 V HN 0.397 nan 8.190 nan 0.000 0.494 183 V N 1.777 121.810 119.914 0.200 0.000 2.225 183 V HA -0.439 3.663 4.120 -0.029 0.000 0.252 183 V C 2.615 178.886 176.094 0.295 0.000 1.055 183 V CA 3.935 66.403 62.300 0.279 0.000 1.032 183 V CB -1.105 30.832 31.823 0.190 0.000 0.655 183 V HN 0.944 nan 8.190 nan 0.000 0.458 184 K N 0.315 120.796 120.400 0.136 0.000 1.980 184 K HA -0.343 3.959 4.320 -0.029 0.000 0.223 184 K C 2.079 178.566 176.600 -0.188 0.000 1.052 184 K CA 2.429 58.566 56.287 -0.250 0.000 0.974 184 K CB -1.228 31.125 32.500 -0.244 0.000 0.734 184 K HN 0.552 nan 8.250 nan 0.000 0.447 185 N N 1.686 120.595 118.700 0.348 0.000 2.133 185 N HA -0.267 4.455 4.740 -0.029 0.000 0.193 185 N C 1.752 177.549 175.510 0.480 0.000 1.012 185 N CA 2.199 55.662 53.050 0.688 0.000 0.871 185 N CB -0.267 38.461 38.487 0.401 0.000 1.011 185 N HN 0.575 nan 8.380 nan 0.000 0.435 186 E N -0.539 119.866 120.200 0.342 0.000 1.998 186 E HA -0.153 4.179 4.350 -0.029 0.000 0.196 186 E C 2.043 178.861 176.600 0.363 0.000 1.003 186 E CA 1.687 58.249 56.400 0.269 0.000 0.829 186 E CB -1.336 28.483 29.700 0.198 0.000 0.777 186 E HN 0.466 nan 8.360 nan 0.000 0.460 187 W N -0.496 120.942 121.300 0.229 0.000 2.364 187 W HA -0.150 4.493 4.660 -0.030 0.000 0.281 187 W C 1.932 178.810 176.519 0.598 0.000 1.219 187 W CA 1.157 58.725 57.345 0.371 0.000 1.220 187 W CB -0.276 29.357 29.460 0.288 0.000 1.127 187 W HN 0.213 nan 8.180 nan 0.000 0.556 188 Y N 0.200 120.874 120.300 0.624 0.000 2.030 188 Y HA -0.338 4.195 4.550 -0.030 0.000 0.274 188 Y C 2.424 178.453 175.900 0.216 0.000 1.153 188 Y CA 1.890 60.210 58.100 0.367 0.000 1.115 188 Y CB -1.404 37.182 38.460 0.210 0.000 0.969 188 Y HN -0.159 nan 8.280 nan 0.000 0.488 189 D N -0.827 119.803 120.400 0.382 0.000 2.177 189 D HA -0.282 4.340 4.640 -0.029 0.000 0.189 189 D C 1.925 178.348 176.300 0.206 0.000 1.002 189 D CA 1.746 55.884 54.000 0.230 0.000 0.845 189 D CB -0.776 40.155 40.800 0.218 0.000 0.960 189 D HN 0.437 nan 8.370 nan 0.000 0.447 190 W N 1.772 123.132 121.300 0.100 0.000 2.208 190 W HA -0.388 4.255 4.660 -0.029 0.000 0.329 190 W C 2.503 179.024 176.519 0.003 0.000 1.277 190 W CA 3.719 61.083 57.345 0.031 0.000 1.134 190 W CB -1.174 28.326 29.460 0.068 0.000 1.128 190 W HN -0.005 nan 8.180 nan 0.000 0.477 191 V N 0.962 120.734 119.914 -0.236 0.000 2.236 191 V HA -0.308 3.795 4.120 -0.029 0.000 0.255 191 V C 2.141 177.979 176.094 -0.427 0.000 1.068 191 V CA 2.868 64.789 62.300 -0.632 0.000 1.044 191 V CB -2.347 29.146 31.823 -0.549 0.000 0.653 191 V HN 0.564 nan 8.190 nan 0.000 0.448 192 G N -1.210 107.428 108.800 -0.269 0.000 2.469 192 G HA2 -0.297 3.645 3.960 -0.029 0.000 0.219 192 G HA3 -0.297 3.645 3.960 -0.029 0.000 0.219 192 G C 1.811 176.616 174.900 -0.159 0.000 1.150 192 G CA 1.406 46.395 45.100 -0.185 0.000 0.763 192 G HN 0.600 nan 8.290 nan 0.000 0.561 193 S N -0.161 115.448 115.700 -0.151 0.000 2.371 193 S HA -0.055 4.398 4.470 -0.029 0.000 0.224 193 S C 2.308 176.788 174.600 -0.201 0.000 1.029 193 S CA 1.088 59.207 58.200 -0.136 0.000 0.978 193 S CB -0.318 62.823 63.200 -0.098 0.000 0.833 193 S HN 0.372 nan 8.310 nan 0.000 0.466 194 L N 1.759 122.768 121.223 -0.355 0.000 2.064 194 L HA -0.126 4.196 4.340 -0.029 0.000 0.216 194 L C 2.203 178.926 176.870 -0.244 0.000 1.077 194 L CA 1.955 56.549 54.840 -0.409 0.000 0.766 194 L CB -0.966 40.662 42.059 -0.718 0.000 0.890 194 L HN 0.206 nan 8.230 nan 0.000 0.435 195 V N -0.532 119.239 119.914 -0.238 0.000 2.252 195 V HA -0.443 3.660 4.120 -0.029 0.000 0.255 195 V C 2.759 178.813 176.094 -0.067 0.000 1.071 195 V CA 2.426 64.647 62.300 -0.131 0.000 1.050 195 V CB -0.749 31.002 31.823 -0.121 0.000 0.654 195 V HN 0.939 nan 8.190 nan 0.000 0.448 196 S N 1.018 116.678 115.700 -0.067 0.000 2.432 196 S HA -0.268 4.184 4.470 -0.029 0.000 0.266 196 S C 0.773 175.354 174.600 -0.032 0.000 1.076 196 S CA 2.230 60.404 58.200 -0.044 0.000 1.320 196 S CB -0.869 62.307 63.200 -0.039 0.000 1.222 196 S HN 0.973 nan 8.310 nan 0.000 0.439 197 N N -2.254 116.449 118.700 0.005 0.000 2.292 197 N HA 0.500 5.222 4.740 -0.029 0.000 0.303 197 N C -0.696 174.873 175.510 0.099 0.000 1.140 197 N CA -0.410 52.625 53.050 -0.025 0.000 0.788 197 N CB 1.640 40.077 38.487 -0.084 0.000 1.361 197 N HN 0.507 nan 8.380 nan 0.000 0.489 198 Y N -0.540 119.692 120.300 -0.113 0.000 4.234 198 Y HA -0.310 4.222 4.550 -0.030 0.000 0.341 198 Y C 0.643 176.474 175.900 -0.116 0.000 1.011 198 Y CA 0.802 58.831 58.100 -0.118 0.000 1.354 198 Y CB -1.441 36.939 38.460 -0.133 0.000 0.611 198 Y HN 0.906 nan 8.280 nan 0.000 0.358 199 S N -0.749 114.960 115.700 0.016 0.000 4.271 199 S HA -0.163 4.289 4.470 -0.029 0.000 0.123 199 S C 0.201 174.816 174.600 0.025 0.000 1.858 199 S CA -0.397 57.792 58.200 -0.018 0.000 4.197 199 S CB -0.805 62.440 63.200 0.074 0.000 0.224 199 S HN 0.805 nan 8.310 nan 0.000 0.457 200 I N 2.369 122.979 120.570 0.067 0.000 6.833 200 I HA -0.206 3.946 4.170 -0.029 0.000 0.126 200 I C -0.374 175.821 176.117 0.129 0.000 1.810 200 I CA 0.836 62.174 61.300 0.064 0.000 2.119 200 I CB -1.618 36.367 38.000 -0.026 0.000 3.512 200 I HN 0.431 nan 8.210 nan 0.000 0.194 201 D N 2.034 122.595 120.400 0.267 0.000 2.328 201 D HA 0.366 4.988 4.640 -0.029 0.000 0.221 201 D C 0.989 177.652 176.300 0.604 0.000 1.072 201 D CA 1.148 55.393 54.000 0.408 0.000 0.850 201 D CB 0.658 41.788 40.800 0.549 0.000 0.922 201 D HN 0.690 nan 8.370 nan 0.000 0.516 202 G N -0.306 108.714 108.800 0.367 0.000 2.733 202 G HA2 0.511 4.454 3.960 -0.029 0.000 0.297 202 G HA3 0.511 4.454 3.960 -0.029 0.000 0.297 202 G C -1.739 173.085 174.900 -0.126 0.000 1.452 202 G CA -0.523 44.597 45.100 0.033 0.000 0.940 202 G HN -0.029 nan 8.290 nan 0.000 0.547 203 L N 0.513 121.567 121.223 -0.281 0.000 2.341 203 L HA 0.861 5.184 4.340 -0.029 0.000 0.254 203 L C 0.069 176.766 176.870 -0.289 0.000 1.040 203 L CA -0.873 53.851 54.840 -0.193 0.000 0.837 203 L CB 2.517 44.504 42.059 -0.121 0.000 1.425 203 L HN 0.739 nan 8.230 nan 0.000 0.414 204 R N 0.545 120.951 120.500 -0.156 0.000 2.710 204 R HA 0.752 5.074 4.340 -0.029 0.000 0.270 204 R C -1.867 174.379 176.300 -0.091 0.000 1.021 204 R CA -0.650 55.344 56.100 -0.176 0.000 0.889 204 R CB 2.039 32.262 30.300 -0.128 0.000 1.243 204 R HN 0.616 nan 8.270 nan 0.000 0.464 205 I N 1.176 121.654 120.570 -0.154 0.000 2.433 205 I HA 0.325 4.477 4.170 -0.029 0.000 0.292 205 I C -0.262 175.795 176.117 -0.099 0.000 1.001 205 I CA -0.864 60.343 61.300 -0.155 0.000 1.119 205 I CB 1.987 39.768 38.000 -0.365 0.000 1.289 205 I HN 0.497 nan 8.210 nan 0.000 0.438 206 D N 2.888 123.246 120.400 -0.069 0.000 2.324 206 D HA 0.031 4.654 4.640 -0.029 0.000 0.235 206 D C 0.575 176.928 176.300 0.088 0.000 1.095 206 D CA 0.539 54.561 54.000 0.037 0.000 0.871 206 D CB 0.119 40.924 40.800 0.008 0.000 0.906 206 D HN 0.744 nan 8.370 nan 0.000 0.522 207 T N -3.017 111.562 114.554 0.042 0.000 4.519 207 T HA 0.098 4.430 4.350 -0.029 0.000 0.261 207 T C 0.955 175.883 174.700 0.381 0.000 0.931 207 T CA -0.384 61.812 62.100 0.160 0.000 1.158 207 T CB -0.346 68.567 68.868 0.073 0.000 0.926 207 T HN -0.140 nan 8.240 nan 0.000 0.504 208 V N 2.110 122.139 119.914 0.191 0.000 2.219 208 V HA -0.220 3.883 4.120 -0.029 0.000 0.248 208 V C 2.656 179.118 176.094 0.614 0.000 1.053 208 V CA 2.645 65.068 62.300 0.205 0.000 1.009 208 V CB -0.188 31.191 31.823 -0.740 0.000 0.636 208 V HN 0.724 nan 8.190 nan 0.000 0.445 209 K N -0.285 120.208 120.400 0.155 0.000 1.980 209 K HA -0.193 4.110 4.320 -0.029 0.000 0.208 209 K C 1.811 178.544 176.600 0.223 0.000 1.043 209 K CA 2.052 58.388 56.287 0.082 0.000 0.938 209 K CB -0.579 31.815 32.500 -0.175 0.000 0.724 209 K HN 0.749 nan 8.250 nan 0.000 0.438 210 H N 0.658 119.840 119.070 0.187 0.000 2.566 210 H HA 0.005 4.544 4.556 -0.029 0.000 0.277 210 H C 1.533 176.852 175.328 -0.016 0.000 1.046 210 H CA 0.316 56.414 56.048 0.083 0.000 1.172 210 H CB 0.045 29.819 29.762 0.020 0.000 1.319 210 H HN 0.093 nan 8.280 nan 0.000 0.621 211 V N 1.101 121.066 119.914 0.085 0.000 2.759 211 V HA -0.184 3.918 4.120 -0.029 0.000 0.256 211 V C 0.798 176.630 176.094 -0.436 0.000 1.080 211 V CA 1.486 63.541 62.300 -0.409 0.000 1.101 211 V CB -0.682 30.477 31.823 -1.107 0.000 0.698 211 V HN 0.951 nan 8.190 nan 0.000 0.477 212 Q N 0.218 119.885 119.800 -0.222 0.000 2.334 212 Q HA -0.213 4.110 4.340 -0.029 0.000 0.295 212 Q C -0.292 175.558 176.000 -0.250 0.000 1.179 212 Q CA 0.703 56.394 55.803 -0.186 0.000 0.704 212 Q CB -1.877 26.769 28.738 -0.154 0.000 0.828 212 Q HN 0.630 nan 8.270 nan 0.000 0.317 213 K N 2.360 122.681 120.400 -0.131 0.000 2.472 213 K HA -0.131 4.171 4.320 -0.029 0.000 0.269 213 K C 0.627 177.184 176.600 -0.072 0.000 1.056 213 K CA 2.279 58.505 56.287 -0.101 0.000 1.158 213 K CB 0.066 32.516 32.500 -0.083 0.000 0.821 213 K HN 0.884 nan 8.250 nan 0.000 0.486 214 D N 1.894 122.281 120.400 -0.021 0.000 1.953 214 D HA -0.253 4.369 4.640 -0.029 0.000 0.254 214 D C 0.627 176.964 176.300 0.061 0.000 0.769 214 D CA 0.944 54.965 54.000 0.035 0.000 1.409 214 D CB -1.547 39.272 40.800 0.031 0.000 1.414 214 D HN 0.372 nan 8.370 nan 0.000 0.748 215 F N 1.425 121.265 119.950 -0.184 0.000 2.095 215 F HA 0.057 4.566 4.527 -0.030 0.000 0.298 215 F C 2.137 178.011 175.800 0.123 0.000 1.104 215 F CA 2.530 60.407 58.000 -0.205 0.000 1.232 215 F CB -0.637 37.981 39.000 -0.637 0.000 0.987 215 F HN 0.340 nan 8.300 nan 0.000 0.475 216 W N 1.288 122.735 121.300 0.245 0.000 2.302 216 W HA -0.274 4.369 4.660 -0.028 0.000 0.320 216 W C -0.185 176.387 176.519 0.088 0.000 1.241 216 W CA 0.824 58.271 57.345 0.169 0.000 1.264 216 W CB -2.271 27.301 29.460 0.186 0.000 1.154 216 W HN 0.111 nan 8.180 nan 0.000 0.483 217 P HA -0.114 nan 4.420 nan 0.000 0.214 217 P C 1.848 179.261 177.300 0.188 0.000 1.162 217 P CA 2.557 65.782 63.100 0.207 0.000 0.879 217 P CB -0.583 31.206 31.700 0.148 0.000 0.786 218 G N -0.811 108.129 108.800 0.232 0.000 2.529 218 G HA2 -0.327 3.615 3.960 -0.029 0.000 0.219 218 G HA3 -0.327 3.615 3.960 -0.029 0.000 0.219 218 G C 1.708 176.902 174.900 0.491 0.000 1.177 218 G CA 0.943 46.278 45.100 0.392 0.000 0.773 218 G HN 0.239 nan 8.290 nan 0.000 0.573 219 Y N 1.261 121.668 120.300 0.179 0.000 2.133 219 Y HA -0.148 4.385 4.550 -0.030 0.000 0.287 219 Y C 2.845 178.801 175.900 0.092 0.000 1.134 219 Y CA 1.773 59.926 58.100 0.088 0.000 1.133 219 Y CB -0.296 38.094 38.460 -0.116 0.000 0.987 219 Y HN 0.319 nan 8.280 nan 0.000 0.502 220 N N 0.044 118.892 118.700 0.247 0.000 2.096 220 N HA -0.303 4.419 4.740 -0.029 0.000 0.195 220 N C 1.502 177.032 175.510 0.033 0.000 1.017 220 N CA 1.850 54.959 53.050 0.098 0.000 0.870 220 N CB -0.107 38.436 38.487 0.093 0.000 1.024 220 N HN 0.198 nan 8.380 nan 0.000 0.434 221 K N 0.473 120.904 120.400 0.052 0.000 2.243 221 K HA 0.196 4.498 4.320 -0.029 0.000 0.201 221 K C 1.843 178.428 176.600 -0.025 0.000 1.051 221 K CA 0.752 57.044 56.287 0.009 0.000 0.970 221 K CB -0.351 32.152 32.500 0.005 0.000 0.755 221 K HN 0.304 nan 8.250 nan 0.000 0.465 222 A N 0.658 123.468 122.820 -0.017 0.000 1.948 222 A HA -0.028 4.275 4.320 -0.029 0.000 0.220 222 A C 1.030 178.553 177.584 -0.102 0.000 1.177 222 A CA 1.780 53.790 52.037 -0.045 0.000 0.636 222 A CB -0.452 18.532 19.000 -0.027 0.000 0.815 222 A HN 0.231 nan 8.150 nan 0.000 0.449 223 A N -1.429 121.301 122.820 -0.150 0.000 2.332 223 A HA 0.583 4.885 4.320 -0.029 0.000 0.300 223 A C 1.162 178.705 177.584 -0.069 0.000 1.153 223 A CA 0.125 52.086 52.037 -0.128 0.000 0.764 223 A CB 0.699 19.578 19.000 -0.202 0.000 1.174 223 A HN 0.730 nan 8.150 nan 0.000 0.467 224 G N 1.080 109.865 108.800 -0.026 0.000 2.877 224 G HA2 -0.050 3.893 3.960 -0.029 0.000 0.211 224 G HA3 -0.050 3.893 3.960 -0.029 0.000 0.211 224 G C 0.831 175.757 174.900 0.044 0.000 1.367 224 G CA 1.015 46.124 45.100 0.014 0.000 0.807 224 G HN 1.366 nan 8.290 nan 0.000 0.666 225 V N 2.036 122.002 119.914 0.087 0.000 4.998 225 V HA -0.172 3.930 4.120 -0.029 0.000 0.196 225 V C 0.524 176.707 176.094 0.149 0.000 0.851 225 V CA 1.197 63.599 62.300 0.171 0.000 0.749 225 V CB -2.304 29.597 31.823 0.131 0.000 0.418 225 V HN 0.688 nan 8.190 nan 0.000 0.358 226 Y N 2.215 122.499 120.300 -0.028 0.000 2.541 226 Y HA -0.281 4.252 4.550 -0.028 0.000 0.296 226 Y C 0.424 176.151 175.900 -0.290 0.000 1.700 226 Y CA 1.021 59.001 58.100 -0.200 0.000 1.402 226 Y CB -0.491 37.760 38.460 -0.349 0.000 2.015 226 Y HN 0.602 nan 8.280 nan 0.000 0.269 227 C N 7.049 125.895 119.300 -0.757 0.000 2.719 227 C HA 0.778 5.220 4.460 -0.029 0.000 0.327 227 C C -0.108 174.331 174.990 -0.919 0.000 1.238 227 C CA -1.111 57.455 59.018 -0.753 0.000 1.727 227 C CB 1.643 29.185 27.740 -0.330 0.000 2.256 227 C HN 0.710 nan 8.230 nan 0.000 0.489 228 I N 2.208 122.377 120.570 -0.668 0.000 2.476 228 I HA 0.370 4.522 4.170 -0.029 0.000 0.281 228 I C 0.334 176.243 176.117 -0.348 0.000 1.040 228 I CA 0.294 61.279 61.300 -0.524 0.000 1.094 228 I CB 1.003 38.670 38.000 -0.554 0.000 1.219 228 I HN 0.871 nan 8.210 nan 0.000 0.450 229 G N 4.040 112.645 108.800 -0.326 0.000 2.319 229 G HA2 0.368 4.311 3.960 -0.029 0.000 0.308 229 G HA3 0.368 4.311 3.960 -0.029 0.000 0.308 229 G C 0.572 175.354 174.900 -0.197 0.000 1.117 229 G CA -0.202 44.684 45.100 -0.356 0.000 0.903 229 G HN 0.787 nan 8.290 nan 0.000 0.436 230 E N 3.456 123.586 120.200 -0.116 0.000 2.127 230 E HA -0.015 4.318 4.350 -0.029 0.000 0.191 230 E C 1.340 177.977 176.600 0.061 0.000 0.964 230 E CA -0.047 56.383 56.400 0.050 0.000 0.832 230 E CB -0.334 29.458 29.700 0.153 0.000 0.790 230 E HN 0.347 nan 8.360 nan 0.000 0.465 231 V N 1.463 121.357 119.914 -0.033 0.000 3.708 231 V HA -0.000 4.102 4.120 -0.029 0.000 0.296 231 V C 0.696 176.701 176.094 -0.147 0.000 1.174 231 V CA 0.764 63.017 62.300 -0.078 0.000 1.296 231 V CB 0.238 31.986 31.823 -0.126 0.000 1.086 231 V HN 0.423 nan 8.190 nan 0.000 0.502 232 L N 0.136 121.181 121.223 -0.296 0.000 2.341 232 L HA 0.853 5.176 4.340 -0.029 0.000 0.267 232 L C 0.136 176.849 176.870 -0.261 0.000 1.022 232 L CA -0.491 54.056 54.840 -0.488 0.000 0.844 232 L CB 1.435 42.747 42.059 -1.246 0.000 1.436 232 L HN 0.546 nan 8.230 nan 0.000 0.483 233 D N -1.565 118.720 120.400 -0.191 0.000 4.379 233 D HA -0.011 4.611 4.640 -0.029 0.000 0.170 233 D C 0.804 177.173 176.300 0.114 0.000 0.400 233 D CA 0.830 54.798 54.000 -0.052 0.000 0.611 233 D CB -0.543 40.175 40.800 -0.136 0.000 1.629 233 D HN 1.192 nan 8.370 nan 0.000 0.064 234 G N 2.618 111.600 108.800 0.304 0.000 2.089 234 G HA2 -0.022 3.920 3.960 -0.029 0.000 0.250 234 G HA3 -0.022 3.920 3.960 -0.029 0.000 0.250 234 G C -0.243 174.787 174.900 0.217 0.000 0.772 234 G CA 1.352 46.692 45.100 0.399 0.000 1.141 234 G HN 0.497 nan 8.290 nan 0.000 0.356 235 D N 1.809 122.317 120.400 0.180 0.000 2.362 235 D HA 0.229 4.852 4.640 -0.029 0.000 0.228 235 D C -0.723 175.668 176.300 0.151 0.000 1.326 235 D CA -0.982 53.089 54.000 0.118 0.000 0.927 235 D CB 0.953 41.785 40.800 0.053 0.000 1.501 235 D HN 0.118 nan 8.370 nan 0.000 0.519 236 P HA -0.322 nan 4.420 nan 0.000 0.229 236 P C 1.140 178.524 177.300 0.141 0.000 1.147 236 P CA 2.440 65.612 63.100 0.120 0.000 0.949 236 P CB 0.004 31.754 31.700 0.083 0.000 0.786 237 A N -3.100 119.806 122.820 0.144 0.000 2.252 237 A HA -0.028 4.275 4.320 -0.029 0.000 0.207 237 A C 1.788 179.518 177.584 0.243 0.000 1.194 237 A CA 0.797 52.925 52.037 0.152 0.000 0.809 237 A CB -1.095 17.978 19.000 0.120 0.000 0.814 237 A HN 0.389 nan 8.150 nan 0.000 0.482 238 Y N -2.560 117.821 120.300 0.135 0.000 2.820 238 Y HA 0.087 4.620 4.550 -0.030 0.000 0.261 238 Y C 2.085 178.120 175.900 0.225 0.000 1.123 238 Y CA 1.158 59.394 58.100 0.226 0.000 1.217 238 Y CB -0.162 38.411 38.460 0.188 0.000 1.432 238 Y HN 0.085 nan 8.280 nan 0.000 0.461 239 T N 0.909 115.737 114.554 0.457 0.000 2.684 239 T HA -0.231 4.102 4.350 -0.029 0.000 0.267 239 T C 1.890 176.633 174.700 0.072 0.000 1.036 239 T CA 1.909 64.134 62.100 0.208 0.000 1.148 239 T CB -0.924 68.096 68.868 0.254 0.000 0.863 239 T HN 0.537 nan 8.240 nan 0.000 0.436 240 c N 1.933 120.605 118.600 0.121 0.000 2.550 240 c HA -0.077 4.475 4.570 -0.029 0.000 0.287 240 c C 0.093 174.245 174.090 0.103 0.000 1.210 240 c CA 1.294 57.678 56.329 0.093 0.000 1.776 240 c CB -1.434 41.130 42.510 0.090 0.000 2.032 240 c HN 0.461 nan 8.230 nan 0.000 0.439 241 P HA -0.237 nan 4.420 nan 0.000 0.229 241 P C 0.714 178.061 177.300 0.077 0.000 1.152 241 P CA 2.211 65.355 63.100 0.074 0.000 0.915 241 P CB -0.491 31.237 31.700 0.045 0.000 0.784 242 Y N -0.304 119.938 120.300 -0.097 0.000 2.716 242 Y HA -0.098 4.435 4.550 -0.029 0.000 0.302 242 Y C 2.906 178.772 175.900 -0.056 0.000 1.160 242 Y CA 0.832 58.887 58.100 -0.076 0.000 1.362 242 Y CB -1.343 37.040 38.460 -0.129 0.000 0.988 242 Y HN 0.096 nan 8.280 nan 0.000 0.546 243 Q N 0.436 120.295 119.800 0.098 0.000 2.197 243 Q HA -0.254 4.068 4.340 -0.029 0.000 0.207 243 Q C 2.220 178.241 176.000 0.036 0.000 0.984 243 Q CA 1.781 57.610 55.803 0.043 0.000 0.869 243 Q CB -0.140 28.618 28.738 0.034 0.000 0.906 243 Q HN 0.339 nan 8.270 nan 0.000 0.426 244 N N -0.334 118.389 118.700 0.039 0.000 2.106 244 N HA -0.099 4.623 4.740 -0.029 0.000 0.188 244 N C 0.125 175.661 175.510 0.045 0.000 1.029 244 N CA 0.654 53.722 53.050 0.030 0.000 0.848 244 N CB -0.173 38.321 38.487 0.012 0.000 1.007 244 N HN 0.144 nan 8.380 nan 0.000 0.423 245 V N 1.417 121.371 119.914 0.066 0.000 2.881 245 V HA 0.100 4.203 4.120 -0.029 0.000 0.303 245 V C 1.102 177.254 176.094 0.097 0.000 1.070 245 V CA 0.380 62.756 62.300 0.126 0.000 1.074 245 V CB 0.530 32.469 31.823 0.193 0.000 1.012 245 V HN 0.540 nan 8.190 nan 0.000 0.482 246 M N 1.609 121.265 119.600 0.094 0.000 6.502 246 M HA -0.283 4.180 4.480 -0.029 0.000 0.144 246 M C 0.625 176.888 176.300 -0.060 0.000 0.543 246 M CA 1.880 57.161 55.300 -0.032 0.000 1.170 246 M CB -1.867 30.629 32.600 -0.173 0.000 1.070 246 M HN 0.749 nan 8.290 nan 0.000 0.257 247 D N -1.429 118.945 120.400 -0.044 0.000 4.411 247 D HA -0.022 4.601 4.640 -0.029 0.000 0.197 247 D C 0.418 176.709 176.300 -0.014 0.000 0.590 247 D CA 1.315 55.304 54.000 -0.019 0.000 1.512 247 D CB -1.637 39.162 40.800 -0.001 0.000 1.072 247 D HN 0.793 nan 8.370 nan 0.000 0.598 248 G N 1.187 109.919 108.800 -0.114 0.000 2.370 248 G HA2 0.532 4.475 3.960 -0.029 0.000 0.272 248 G HA3 0.532 4.475 3.960 -0.029 0.000 0.272 248 G C 0.035 174.847 174.900 -0.146 0.000 1.208 248 G CA 0.194 45.239 45.100 -0.093 0.000 0.856 248 G HN 0.679 nan 8.290 nan 0.000 0.500 249 V N 3.644 123.515 119.914 -0.073 0.000 2.483 249 V HA 0.625 4.727 4.120 -0.029 0.000 0.295 249 V C -0.234 175.854 176.094 -0.010 0.000 1.035 249 V CA -1.345 60.921 62.300 -0.057 0.000 0.896 249 V CB 1.488 33.294 31.823 -0.028 0.000 0.986 249 V HN 0.533 nan 8.190 nan 0.000 0.447 250 L N 5.024 126.266 121.223 0.031 0.000 2.410 250 L HA 0.323 4.646 4.340 -0.029 0.000 0.273 250 L C 1.174 178.137 176.870 0.155 0.000 1.152 250 L CA 0.661 55.601 54.840 0.166 0.000 0.855 250 L CB 0.112 42.355 42.059 0.306 0.000 1.129 250 L HN 0.902 nan 8.230 nan 0.000 0.463 251 N N 3.274 121.976 118.700 0.002 0.000 2.410 251 N HA -0.071 4.652 4.740 -0.029 0.000 0.231 251 N C 0.773 176.157 175.510 -0.209 0.000 1.172 251 N CA -0.039 52.945 53.050 -0.110 0.000 0.849 251 N CB 0.060 38.436 38.487 -0.186 0.000 1.116 251 N HN 0.621 nan 8.380 nan 0.000 0.485 252 Y N 1.516 121.898 120.300 0.135 0.000 2.261 252 Y HA -0.332 4.201 4.550 -0.029 0.000 0.264 252 Y C -0.589 175.545 175.900 0.391 0.000 1.313 252 Y CA 2.432 60.769 58.100 0.396 0.000 1.079 252 Y CB -0.838 37.820 38.460 0.329 0.000 0.888 252 Y HN 0.427 nan 8.280 nan 0.000 0.523 253 P HA -0.137 nan 4.420 nan 0.000 0.219 253 P C 1.835 179.317 177.300 0.303 0.000 1.154 253 P CA 1.590 64.924 63.100 0.390 0.000 0.826 253 P CB -0.124 31.728 31.700 0.252 0.000 0.795 254 I N -0.634 120.047 120.570 0.184 0.000 2.163 254 I HA -0.284 3.868 4.170 -0.029 0.000 0.243 254 I C 2.790 179.030 176.117 0.205 0.000 1.085 254 I CA 1.697 63.096 61.300 0.165 0.000 1.347 254 I CB -0.405 37.653 38.000 0.097 0.000 1.044 254 I HN -0.106 nan 8.210 nan 0.000 0.408 255 Y N 0.099 120.366 120.300 -0.055 0.000 2.163 255 Y HA -0.339 4.193 4.550 -0.030 0.000 0.288 255 Y C 2.364 178.300 175.900 0.059 0.000 1.136 255 Y CA 1.584 59.659 58.100 -0.043 0.000 1.147 255 Y CB -0.819 37.569 38.460 -0.119 0.000 0.987 255 Y HN 0.093 nan 8.280 nan 0.000 0.509 256 Y N 1.591 122.207 120.300 0.526 0.000 1.977 256 Y HA -0.312 4.220 4.550 -0.029 0.000 0.264 256 Y C -0.093 175.850 175.900 0.071 0.000 1.167 256 Y CA 2.713 61.011 58.100 0.330 0.000 1.102 256 Y CB -1.807 36.862 38.460 0.348 0.000 0.948 256 Y HN 0.223 nan 8.280 nan 0.000 0.489 257 P HA -0.243 nan 4.420 nan 0.000 0.215 257 P C 1.884 179.208 177.300 0.040 0.000 1.157 257 P CA 1.707 64.872 63.100 0.107 0.000 0.868 257 P CB -0.291 31.469 31.700 0.101 0.000 0.788 258 L N -1.197 120.062 121.223 0.060 0.000 2.051 258 L HA -0.207 4.116 4.340 -0.029 0.000 0.214 258 L C 2.707 179.700 176.870 0.204 0.000 1.076 258 L CA 1.478 56.415 54.840 0.162 0.000 0.758 258 L CB -0.850 41.275 42.059 0.110 0.000 0.890 258 L HN -0.109 nan 8.230 nan 0.000 0.433 259 L N -0.263 120.905 121.223 -0.092 0.000 2.027 259 L HA -0.224 4.098 4.340 -0.029 0.000 0.206 259 L C 2.224 178.934 176.870 -0.266 0.000 1.074 259 L CA 1.569 56.233 54.840 -0.292 0.000 0.745 259 L CB -0.572 41.189 42.059 -0.498 0.000 0.898 259 L HN 0.313 nan 8.230 nan 0.000 0.433 260 N N -0.178 118.446 118.700 -0.127 0.000 2.011 260 N HA -0.231 4.491 4.740 -0.029 0.000 0.199 260 N C 1.702 177.147 175.510 -0.108 0.000 1.047 260 N CA 2.091 55.088 53.050 -0.088 0.000 0.863 260 N CB -0.498 37.988 38.487 -0.001 0.000 1.056 260 N HN 0.479 nan 8.380 nan 0.000 0.427 261 A N -0.783 121.980 122.820 -0.094 0.000 1.975 261 A HA 0.129 4.431 4.320 -0.029 0.000 0.215 261 A C 0.687 178.176 177.584 -0.157 0.000 1.170 261 A CA 0.187 52.141 52.037 -0.140 0.000 0.656 261 A CB -0.394 18.494 19.000 -0.187 0.000 0.821 261 A HN 0.164 nan 8.150 nan 0.000 0.449 262 F N -0.071 119.796 119.950 -0.139 0.000 2.444 262 F HA 0.339 4.849 4.527 -0.030 0.000 0.331 262 F C 1.551 177.265 175.800 -0.143 0.000 1.167 262 F CA 1.041 58.997 58.000 -0.074 0.000 1.262 262 F CB 0.948 39.973 39.000 0.041 0.000 1.196 262 F HN 0.568 nan 8.300 nan 0.000 0.583 263 K N -1.505 119.006 120.400 0.186 0.000 6.337 263 K HA -0.178 4.124 4.320 -0.029 0.000 0.470 263 K C -0.382 176.217 176.600 -0.001 0.000 0.352 263 K CA 0.835 57.114 56.287 -0.013 0.000 1.970 263 K CB -1.816 30.444 32.500 -0.401 0.000 0.581 263 K HN 0.407 nan 8.250 nan 0.000 0.722 264 S N 2.811 118.480 115.700 -0.052 0.000 2.411 264 S HA 0.279 4.731 4.470 -0.029 0.000 0.304 264 S C 0.904 175.483 174.600 -0.036 0.000 1.098 264 S CA -0.036 58.141 58.200 -0.038 0.000 1.068 264 S CB 1.258 64.424 63.200 -0.057 0.000 1.032 264 S HN 0.400 nan 8.310 nan 0.000 0.511 265 T N 3.217 117.759 114.554 -0.020 0.000 2.616 265 T HA -0.275 4.057 4.350 -0.029 0.000 0.261 265 T C 1.920 176.582 174.700 -0.063 0.000 1.105 265 T CA 2.484 64.562 62.100 -0.037 0.000 1.159 265 T CB -0.814 68.037 68.868 -0.028 0.000 0.856 265 T HN 0.735 nan 8.240 nan 0.000 0.449 266 S N 1.149 116.815 115.700 -0.056 0.000 2.522 266 S HA 0.296 4.748 4.470 -0.029 0.000 0.227 266 S C 2.177 176.731 174.600 -0.077 0.000 0.986 266 S CA 0.414 58.575 58.200 -0.065 0.000 0.929 266 S CB -0.919 62.253 63.200 -0.047 0.000 0.769 266 S HN 0.835 nan 8.310 nan 0.000 0.529 267 G N 2.751 111.504 108.800 -0.079 0.000 2.990 267 G HA2 -0.374 3.568 3.960 -0.029 0.000 0.359 267 G HA3 -0.374 3.568 3.960 -0.029 0.000 0.359 267 G C 0.316 175.165 174.900 -0.085 0.000 0.951 267 G CA 1.613 46.659 45.100 -0.090 0.000 0.794 267 G HN 1.346 nan 8.290 nan 0.000 0.982 268 S N -2.817 112.821 115.700 -0.104 0.000 3.402 268 S HA 0.177 4.629 4.470 -0.029 0.000 0.127 268 S C 0.654 175.201 174.600 -0.090 0.000 0.852 268 S CA 0.630 58.782 58.200 -0.080 0.000 0.823 268 S CB -0.281 62.886 63.200 -0.056 0.000 1.333 268 S HN 0.396 nan 8.310 nan 0.000 0.663 269 M N 2.286 121.814 119.600 -0.121 0.000 2.331 269 M HA -0.124 4.339 4.480 -0.029 0.000 0.260 269 M C 1.897 178.158 176.300 -0.065 0.000 1.072 269 M CA 1.542 56.765 55.300 -0.128 0.000 1.065 269 M CB -0.471 32.035 32.600 -0.157 0.000 1.392 269 M HN 0.535 nan 8.290 nan 0.000 0.427 270 D N 0.175 120.546 120.400 -0.048 0.000 2.149 270 D HA -0.185 4.437 4.640 -0.029 0.000 0.198 270 D C 1.130 177.454 176.300 0.040 0.000 0.990 270 D CA 1.357 55.352 54.000 -0.008 0.000 0.839 270 D CB -0.142 40.650 40.800 -0.014 0.000 0.948 270 D HN 0.358 nan 8.370 nan 0.000 0.460 271 D N -0.131 120.278 120.400 0.015 0.000 2.190 271 D HA -0.149 4.473 4.640 -0.029 0.000 0.200 271 D C 2.063 178.391 176.300 0.047 0.000 0.992 271 D CA 0.452 54.468 54.000 0.025 0.000 0.854 271 D CB -0.177 40.628 40.800 0.008 0.000 0.936 271 D HN 0.296 nan 8.370 nan 0.000 0.462 272 L N -1.035 120.215 121.223 0.045 0.000 2.049 272 L HA -0.123 4.200 4.340 -0.029 0.000 0.203 272 L C 2.156 179.114 176.870 0.146 0.000 1.074 272 L CA 0.751 55.634 54.840 0.073 0.000 0.749 272 L CB -0.250 41.818 42.059 0.015 0.000 0.907 272 L HN 0.007 nan 8.230 nan 0.000 0.439 273 Y N 0.998 121.301 120.300 0.005 0.000 2.114 273 Y HA -0.356 4.176 4.550 -0.030 0.000 0.282 273 Y C 2.426 178.307 175.900 -0.032 0.000 1.165 273 Y CA 1.987 60.099 58.100 0.021 0.000 1.148 273 Y CB -0.578 37.891 38.460 0.014 0.000 0.972 273 Y HN 0.272 nan 8.280 nan 0.000 0.504 274 N N -0.574 118.215 118.700 0.149 0.000 2.094 274 N HA -0.279 4.443 4.740 -0.029 0.000 0.191 274 N C 1.849 177.342 175.510 -0.028 0.000 1.023 274 N CA 1.624 54.676 53.050 0.003 0.000 0.857 274 N CB -0.269 38.242 38.487 0.041 0.000 1.013 274 N HN 0.377 nan 8.380 nan 0.000 0.426 275 M N 1.674 121.291 119.600 0.029 0.000 2.126 275 M HA -0.100 4.363 4.480 -0.029 0.000 0.259 275 M C 1.929 178.251 176.300 0.037 0.000 1.073 275 M CA 1.336 56.663 55.300 0.046 0.000 1.103 275 M CB -0.888 31.764 32.600 0.087 0.000 1.284 275 M HN 0.096 nan 8.290 nan 0.000 0.420 276 I N 0.552 121.164 120.570 0.069 0.000 2.231 276 I HA -0.477 3.675 4.170 -0.029 0.000 0.251 276 I C 1.907 178.017 176.117 -0.012 0.000 1.076 276 I CA 1.771 63.118 61.300 0.078 0.000 1.347 276 I CB -0.585 37.492 38.000 0.127 0.000 1.038 276 I HN 0.500 nan 8.210 nan 0.000 0.429 277 N N -0.059 118.574 118.700 -0.111 0.000 2.109 277 N HA -0.120 4.602 4.740 -0.029 0.000 0.188 277 N C 1.706 177.162 175.510 -0.091 0.000 1.034 277 N CA 1.932 54.873 53.050 -0.181 0.000 0.846 277 N CB -0.698 37.580 38.487 -0.347 0.000 1.010 277 N HN 0.298 nan 8.380 nan 0.000 0.425 278 T N 1.099 115.617 114.554 -0.060 0.000 2.531 278 T HA -0.242 4.090 4.350 -0.029 0.000 0.261 278 T C 1.971 176.674 174.700 0.004 0.000 1.141 278 T CA 1.986 64.076 62.100 -0.017 0.000 1.176 278 T CB -1.065 67.808 68.868 0.008 0.000 0.863 278 T HN 0.103 nan 8.240 nan 0.000 0.424 279 V N 1.721 121.647 119.914 0.020 0.000 2.220 279 V HA -0.185 3.918 4.120 -0.029 0.000 0.250 279 V C 1.344 177.444 176.094 0.010 0.000 1.056 279 V CA 1.796 64.112 62.300 0.026 0.000 1.016 279 V CB -0.643 31.203 31.823 0.039 0.000 0.639 279 V HN 0.481 nan 8.190 nan 0.000 0.446 280 K N 0.527 120.927 120.400 0.000 0.000 1.870 280 K HA -0.080 4.222 4.320 -0.029 0.000 0.206 280 K C 0.894 177.484 176.600 -0.016 0.000 1.089 280 K CA 0.812 57.093 56.287 -0.010 0.000 1.391 280 K CB -0.648 31.849 32.500 -0.006 0.000 0.946 280 K HN 0.637 nan 8.250 nan 0.000 0.271 281 S N 0.459 116.152 115.700 -0.011 0.000 1.198 281 S HA -0.187 4.265 4.470 -0.029 0.000 0.254 281 S C 0.992 175.593 174.600 0.002 0.000 0.549 281 S CA 0.498 58.693 58.200 -0.008 0.000 0.942 281 S CB -1.284 61.909 63.200 -0.012 0.000 0.736 281 S HN 0.710 nan 8.310 nan 0.000 0.489 282 D N 1.034 121.438 120.400 0.007 0.000 2.218 282 D HA -0.099 4.524 4.640 -0.029 0.000 0.194 282 D C 0.801 177.119 176.300 0.029 0.000 1.007 282 D CA 1.552 55.564 54.000 0.020 0.000 0.879 282 D CB -0.416 40.401 40.800 0.028 0.000 0.918 282 D HN 0.478 nan 8.370 nan 0.000 0.449 283 c N 1.859 120.475 118.600 0.026 0.000 2.307 283 c HA 0.302 4.854 4.570 -0.029 0.000 0.340 283 c C -2.123 171.977 174.090 0.016 0.000 1.275 283 c CA -1.607 54.739 56.329 0.028 0.000 1.811 283 c CB 1.203 43.728 42.510 0.025 0.000 2.372 283 c HN 0.142 nan 8.230 nan 0.000 0.531 284 P HA 0.152 nan 4.420 nan 0.000 0.275 284 P C -0.314 176.992 177.300 0.008 0.000 1.276 284 P CA 0.637 63.742 63.100 0.009 0.000 0.782 284 P CB 1.071 32.779 31.700 0.012 0.000 0.851 285 D N 2.284 122.684 120.400 -0.000 0.000 2.296 285 D HA -0.039 4.584 4.640 -0.029 0.000 0.248 285 D C 0.736 177.034 176.300 -0.004 0.000 1.162 285 D CA 0.738 54.735 54.000 -0.005 0.000 0.956 285 D CB 0.011 40.799 40.800 -0.019 0.000 1.011 285 D HN 0.242 nan 8.370 nan 0.000 0.404 286 S N -1.368 114.324 115.700 -0.014 0.000 3.476 286 S HA -0.276 4.177 4.470 -0.029 0.000 0.309 286 S C 0.703 175.291 174.600 -0.020 0.000 1.222 286 S CA 2.175 60.367 58.200 -0.014 0.000 0.922 286 S CB -2.217 60.985 63.200 0.002 0.000 1.023 286 S HN 0.893 nan 8.310 nan 0.000 0.591 287 T N -1.942 112.594 114.554 -0.031 0.000 5.221 287 T HA -0.235 4.097 4.350 -0.029 0.000 0.299 287 T C 0.136 174.824 174.700 -0.020 0.000 1.489 287 T CA 1.374 63.449 62.100 -0.041 0.000 2.593 287 T CB -2.471 66.355 68.868 -0.069 0.000 1.859 287 T HN 0.759 nan 8.240 nan 0.000 0.982 288 L N 0.171 121.396 121.223 0.003 0.000 2.855 288 L HA 0.486 4.808 4.340 -0.029 0.000 0.245 288 L C 0.646 177.535 176.870 0.031 0.000 1.276 288 L CA -0.198 54.666 54.840 0.039 0.000 1.118 288 L CB -0.202 41.893 42.059 0.059 0.000 1.444 288 L HN 0.351 nan 8.230 nan 0.000 0.440 289 L N -0.212 121.015 121.223 0.006 0.000 2.334 289 L HA 0.714 5.037 4.340 -0.029 0.000 0.273 289 L C 0.336 177.191 176.870 -0.026 0.000 1.013 289 L CA -0.152 54.682 54.840 -0.010 0.000 0.816 289 L CB 2.022 44.072 42.059 -0.015 0.000 1.278 289 L HN -0.011 nan 8.230 nan 0.000 0.431 290 G N 0.832 109.607 108.800 -0.042 0.000 2.417 290 G HA2 0.539 4.481 3.960 -0.029 0.000 0.320 290 G HA3 0.539 4.481 3.960 -0.029 0.000 0.320 290 G C -1.000 173.830 174.900 -0.116 0.000 1.204 290 G CA -0.330 44.736 45.100 -0.058 0.000 0.923 290 G HN 0.498 nan 8.290 nan 0.000 0.466 291 T N 2.863 117.361 114.554 -0.093 0.000 2.801 291 T HA 0.376 4.708 4.350 -0.029 0.000 0.306 291 T C 0.706 175.417 174.700 0.017 0.000 1.020 291 T CA -0.500 61.516 62.100 -0.141 0.000 0.948 291 T CB 0.473 69.295 68.868 -0.076 0.000 0.962 291 T HN 0.437 nan 8.240 nan 0.000 0.465 292 F N 2.958 122.989 119.950 0.134 0.000 2.202 292 F HA 0.589 5.098 4.527 -0.030 0.000 0.266 292 F C 1.932 177.846 175.800 0.190 0.000 1.173 292 F CA 0.133 58.247 58.000 0.191 0.000 1.075 292 F CB -0.852 38.227 39.000 0.131 0.000 1.046 292 F HN 0.441 nan 8.300 nan 0.000 0.531 293 V N -0.973 119.305 119.914 0.605 0.000 0.630 293 V HA -0.283 3.819 4.120 -0.029 0.000 0.092 293 V C 1.523 177.827 176.094 0.349 0.000 1.513 293 V CA 0.851 63.387 62.300 0.392 0.000 3.287 293 V CB -1.685 30.273 31.823 0.225 0.000 0.552 293 V HN 0.577 nan 8.190 nan 0.000 0.560 294 E N 1.021 121.327 120.200 0.176 0.000 1.992 294 E HA -0.103 4.229 4.350 -0.029 0.000 0.202 294 E C 0.666 177.145 176.600 -0.201 0.000 1.007 294 E CA 1.424 57.812 56.400 -0.020 0.000 0.857 294 E CB -0.141 29.477 29.700 -0.136 0.000 0.796 294 E HN 0.781 nan 8.360 nan 0.000 0.486 295 N N -0.062 118.274 118.700 -0.608 0.000 3.527 295 N HA -0.120 4.603 4.740 -0.029 0.000 0.265 295 N C 0.363 175.337 175.510 -0.893 0.000 1.041 295 N CA 0.875 53.470 53.050 -0.759 0.000 0.677 295 N CB -1.472 36.605 38.487 -0.683 0.000 1.202 295 N HN 0.567 nan 8.380 nan 0.000 0.595 296 H N 0.207 118.674 119.070 -1.005 0.000 1.501 296 H HA -0.344 4.194 4.556 -0.030 0.000 0.102 296 H C 1.024 176.169 175.328 -0.305 0.000 1.215 296 H CA 2.647 58.432 56.048 -0.439 0.000 1.877 296 H CB -1.035 28.566 29.762 -0.269 0.000 2.232 296 H HN 0.562 nan 8.280 nan 0.000 0.950 297 D N 1.096 121.245 120.400 -0.418 0.000 2.400 297 D HA -0.002 4.621 4.640 -0.029 0.000 0.242 297 D C -0.049 176.092 176.300 -0.265 0.000 1.077 297 D CA 0.562 54.378 54.000 -0.307 0.000 0.943 297 D CB -0.289 40.326 40.800 -0.309 0.000 0.882 297 D HN 0.441 nan 8.370 nan 0.000 0.529 298 N N -0.455 118.068 118.700 -0.294 0.000 2.629 298 N HA 0.497 5.220 4.740 -0.029 0.000 0.279 298 N C -2.841 172.553 175.510 -0.193 0.000 1.344 298 N CA -1.859 51.062 53.050 -0.215 0.000 0.789 298 N CB 2.316 40.674 38.487 -0.214 0.000 1.508 298 N HN -0.148 nan 8.380 nan 0.000 0.516 299 P HA 0.384 nan 4.420 nan 0.000 0.303 299 P C -0.834 176.380 177.300 -0.144 0.000 1.370 299 P CA -0.510 62.487 63.100 -0.172 0.000 0.854 299 P CB 0.991 32.549 31.700 -0.236 0.000 0.946 300 R N 2.725 123.165 120.500 -0.100 0.000 3.150 300 R HA -0.168 4.155 4.340 -0.029 0.000 0.279 300 R C 1.244 177.571 176.300 0.045 0.000 0.742 300 R CA 0.471 56.563 56.100 -0.014 0.000 1.080 300 R CB -1.397 28.923 30.300 0.033 0.000 0.918 300 R HN 0.470 nan 8.270 nan 0.000 0.386 301 F N 3.375 123.308 119.950 -0.029 0.000 2.130 301 F HA -0.486 4.025 4.527 -0.027 0.000 0.263 301 F C 2.024 177.877 175.800 0.089 0.000 1.091 301 F CA 2.541 60.567 58.000 0.043 0.000 1.478 301 F CB -0.646 38.337 39.000 -0.028 0.000 0.869 301 F HN 0.701 nan 8.300 nan 0.000 0.481 302 A N -0.834 122.195 122.820 0.348 0.000 2.117 302 A HA -0.355 3.948 4.320 -0.029 0.000 0.224 302 A C 2.161 179.759 177.584 0.024 0.000 1.167 302 A CA 2.208 54.316 52.037 0.118 0.000 0.664 302 A CB -1.476 17.398 19.000 -0.210 0.000 0.811 302 A HN 0.639 nan 8.150 nan 0.000 0.470 303 S N -1.878 113.757 115.700 -0.109 0.000 2.423 303 S HA -0.176 4.276 4.470 -0.029 0.000 0.238 303 S C 1.395 175.854 174.600 -0.234 0.000 1.028 303 S CA 1.709 59.763 58.200 -0.244 0.000 1.000 303 S CB -0.433 62.508 63.200 -0.431 0.000 0.797 303 S HN 0.676 nan 8.310 nan 0.000 0.487 304 Y N 0.525 120.762 120.300 -0.105 0.000 2.976 304 Y HA 0.273 4.805 4.550 -0.030 0.000 0.214 304 Y C 1.708 177.606 175.900 -0.004 0.000 0.927 304 Y CA 0.196 58.244 58.100 -0.086 0.000 1.000 304 Y CB -1.028 37.323 38.460 -0.183 0.000 1.069 304 Y HN -0.085 nan 8.280 nan 0.000 0.462 305 T N 1.678 116.381 114.554 0.249 0.000 2.779 305 T HA 0.027 4.359 4.350 -0.029 0.000 0.296 305 T C -0.019 174.831 174.700 0.249 0.000 0.938 305 T CA -0.118 62.105 62.100 0.206 0.000 1.119 305 T CB -0.569 68.414 68.868 0.191 0.000 0.891 305 T HN 0.329 nan 8.240 nan 0.000 0.526 306 N N 4.134 122.955 118.700 0.201 0.000 3.052 306 N HA 0.110 4.833 4.740 -0.029 0.000 0.302 306 N C -1.231 174.392 175.510 0.188 0.000 1.332 306 N CA -0.577 52.619 53.050 0.243 0.000 1.129 306 N CB 0.057 38.665 38.487 0.202 0.000 1.436 306 N HN 0.539 nan 8.380 nan 0.000 0.536 307 D N 0.083 120.608 120.400 0.208 0.000 2.788 307 D HA 0.130 4.752 4.640 -0.029 0.000 0.247 307 D C 1.390 177.759 176.300 0.115 0.000 1.236 307 D CA -0.658 53.413 54.000 0.119 0.000 0.898 307 D CB 0.721 41.575 40.800 0.090 0.000 1.401 307 D HN 0.049 nan 8.370 nan 0.000 0.549 308 I N 0.879 121.469 120.570 0.033 0.000 2.103 308 I HA -0.386 3.767 4.170 -0.029 0.000 0.241 308 I C 2.400 178.535 176.117 0.031 0.000 1.036 308 I CA 2.108 63.419 61.300 0.018 0.000 1.300 308 I CB -0.724 37.266 38.000 -0.016 0.000 1.010 308 I HN 0.461 nan 8.210 nan 0.000 0.406 309 A N 1.529 124.373 122.820 0.041 0.000 1.852 309 A HA -0.230 4.072 4.320 -0.029 0.000 0.217 309 A C 2.241 179.873 177.584 0.079 0.000 1.215 309 A CA 2.393 54.462 52.037 0.054 0.000 0.641 309 A CB -1.231 17.800 19.000 0.052 0.000 0.838 309 A HN 0.399 nan 8.150 nan 0.000 0.450 310 L N -0.376 120.918 121.223 0.117 0.000 2.051 310 L HA -0.265 4.058 4.340 -0.029 0.000 0.214 310 L C 3.035 179.904 176.870 -0.002 0.000 1.076 310 L CA 2.162 57.127 54.840 0.209 0.000 0.758 310 L CB -0.856 41.366 42.059 0.273 0.000 0.890 310 L HN 0.470 nan 8.230 nan 0.000 0.433 311 A N -0.642 122.073 122.820 -0.175 0.000 1.851 311 A HA -0.271 4.032 4.320 -0.029 0.000 0.216 311 A C 2.345 179.736 177.584 -0.322 0.000 1.195 311 A CA 2.098 53.840 52.037 -0.493 0.000 0.622 311 A CB -0.540 18.337 19.000 -0.204 0.000 0.831 311 A HN 0.380 nan 8.150 nan 0.000 0.444 312 K N -0.465 119.868 120.400 -0.111 0.000 2.001 312 K HA -0.217 4.085 4.320 -0.029 0.000 0.214 312 K C 1.895 178.499 176.600 0.006 0.000 1.050 312 K CA 1.804 58.072 56.287 -0.030 0.000 0.934 312 K CB -0.389 32.124 32.500 0.022 0.000 0.718 312 K HN 0.461 nan 8.250 nan 0.000 0.443 313 N N 0.763 119.510 118.700 0.078 0.000 2.104 313 N HA -0.166 4.556 4.740 -0.029 0.000 0.190 313 N C 1.755 177.426 175.510 0.269 0.000 1.024 313 N CA 1.159 54.343 53.050 0.223 0.000 0.853 313 N CB -0.769 37.929 38.487 0.351 0.000 1.008 313 N HN 0.105 nan 8.380 nan 0.000 0.424 314 V N 0.916 120.734 119.914 -0.159 0.000 2.220 314 V HA -0.199 3.904 4.120 -0.029 0.000 0.246 314 V C 2.044 178.059 176.094 -0.132 0.000 1.049 314 V CA 2.367 64.243 62.300 -0.708 0.000 1.003 314 V CB -1.048 29.688 31.823 -1.812 0.000 0.634 314 V HN 0.310 nan 8.190 nan 0.000 0.444 315 A N -0.154 122.560 122.820 -0.177 0.000 1.940 315 A HA -0.017 4.286 4.320 -0.029 0.000 0.219 315 A C 2.436 180.075 177.584 0.092 0.000 1.176 315 A CA 2.496 54.518 52.037 -0.024 0.000 0.631 315 A CB -1.129 17.839 19.000 -0.053 0.000 0.814 315 A HN 1.018 nan 8.150 nan 0.000 0.446 316 A N -0.447 122.437 122.820 0.107 0.000 1.832 316 A HA -0.004 4.299 4.320 -0.029 0.000 0.214 316 A C 2.039 179.731 177.584 0.181 0.000 1.200 316 A CA 1.641 53.764 52.037 0.144 0.000 0.610 316 A CB -1.023 18.064 19.000 0.146 0.000 0.842 316 A HN 0.996 nan 8.150 nan 0.000 0.444 317 F N 1.912 121.933 119.950 0.118 0.000 2.115 317 F HA -0.290 4.220 4.527 -0.029 0.000 0.300 317 F C 1.941 177.812 175.800 0.119 0.000 1.092 317 F CA 2.018 60.106 58.000 0.147 0.000 1.245 317 F CB -0.435 38.694 39.000 0.216 0.000 0.995 317 F HN 0.398 nan 8.300 nan 0.000 0.481 318 I N 1.174 121.761 120.570 0.029 0.000 2.163 318 I HA -0.262 3.891 4.170 -0.029 0.000 0.243 318 I C 2.252 178.298 176.117 -0.118 0.000 1.085 318 I CA 2.562 63.805 61.300 -0.095 0.000 1.347 318 I CB -0.848 37.234 38.000 0.136 0.000 1.044 318 I HN 0.440 nan 8.210 nan 0.000 0.408 319 I N -0.181 120.390 120.570 0.003 0.000 2.233 319 I HA -0.155 3.997 4.170 -0.029 0.000 0.243 319 I C 2.543 178.696 176.117 0.061 0.000 1.093 319 I CA 1.311 62.656 61.300 0.074 0.000 1.380 319 I CB -0.702 37.401 38.000 0.172 0.000 1.067 319 I HN 0.232 nan 8.210 nan 0.000 0.413 320 L N 1.061 122.308 121.223 0.039 0.000 2.093 320 L HA -0.132 4.190 4.340 -0.029 0.000 0.208 320 L C 1.697 178.561 176.870 -0.009 0.000 1.085 320 L CA 1.047 55.934 54.840 0.077 0.000 0.755 320 L CB -0.498 41.619 42.059 0.096 0.000 0.904 320 L HN 0.463 nan 8.230 nan 0.000 0.435 321 N N -0.466 118.099 118.700 -0.225 0.000 2.267 321 N HA -0.080 4.643 4.740 -0.029 0.000 0.269 321 N C -0.488 174.896 175.510 -0.209 0.000 1.287 321 N CA -0.096 52.754 53.050 -0.332 0.000 0.916 321 N CB 0.273 38.240 38.487 -0.866 0.000 1.052 321 N HN -0.102 nan 8.380 nan 0.000 0.496 322 D N -1.051 119.233 120.400 -0.193 0.000 2.295 322 D HA 0.557 5.179 4.640 -0.029 0.000 0.248 322 D C 0.078 176.315 176.300 -0.105 0.000 1.154 322 D CA 1.006 54.928 54.000 -0.130 0.000 0.857 322 D CB 0.371 41.120 40.800 -0.084 0.000 1.117 322 D HN 0.776 nan 8.370 nan 0.000 0.468 323 G N 1.287 110.038 108.800 -0.083 0.000 2.423 323 G HA2 -0.113 3.830 3.960 -0.029 0.000 0.684 323 G HA3 -0.113 3.830 3.960 -0.029 0.000 0.684 323 G C -1.052 173.833 174.900 -0.025 0.000 1.309 323 G CA -1.168 43.900 45.100 -0.052 0.000 0.950 323 G HN 0.434 nan 8.290 nan 0.000 0.587 324 L N 2.688 123.905 121.223 -0.011 0.000 2.500 324 L HA 0.368 4.690 4.340 -0.029 0.000 0.272 324 L C -1.369 175.517 176.870 0.027 0.000 1.149 324 L CA -0.648 54.203 54.840 0.018 0.000 0.897 324 L CB 0.816 42.870 42.059 -0.009 0.000 1.178 324 L HN 0.400 nan 8.230 nan 0.000 0.473 325 P HA 0.223 nan 4.420 nan 0.000 0.291 325 P C -0.702 176.661 177.300 0.107 0.000 1.378 325 P CA -0.246 62.906 63.100 0.088 0.000 0.853 325 P CB 0.434 32.206 31.700 0.120 0.000 1.002 326 I N 5.338 125.964 120.570 0.094 0.000 2.291 326 I HA 0.304 4.456 4.170 -0.029 0.000 0.292 326 I C 1.044 177.208 176.117 0.078 0.000 1.064 326 I CA -0.738 60.632 61.300 0.116 0.000 1.269 326 I CB 0.975 39.144 38.000 0.281 0.000 1.418 326 I HN 0.244 nan 8.210 nan 0.000 0.485 327 I N 7.460 127.880 120.570 -0.250 0.000 2.308 327 I HA 0.119 4.271 4.170 -0.029 0.000 0.293 327 I C -0.423 175.628 176.117 -0.111 0.000 1.078 327 I CA -0.487 60.654 61.300 -0.266 0.000 1.292 327 I CB 0.292 37.911 38.000 -0.636 0.000 1.423 327 I HN 0.509 nan 8.210 nan 0.000 0.493 328 Y N 7.684 127.991 120.300 0.011 0.000 2.496 328 Y HA 0.334 4.866 4.550 -0.029 0.000 0.334 328 Y C 0.974 176.842 175.900 -0.052 0.000 1.080 328 Y CA -0.536 57.601 58.100 0.062 0.000 1.355 328 Y CB 0.603 39.105 38.460 0.069 0.000 1.193 328 Y HN 0.734 nan 8.280 nan 0.000 0.523 329 A N 5.345 127.933 122.820 -0.386 0.000 2.188 329 A HA 0.175 4.478 4.320 -0.029 0.000 0.321 329 A C 1.458 179.046 177.584 0.007 0.000 0.965 329 A CA 1.580 53.481 52.037 -0.227 0.000 1.361 329 A CB -1.722 17.069 19.000 -0.349 0.000 0.707 329 A HN 2.005 nan 8.150 nan 0.000 0.338 330 G N 0.865 109.838 108.800 0.290 0.000 2.205 330 G HA2 -0.238 3.704 3.960 -0.029 0.000 0.180 330 G HA3 -0.238 3.704 3.960 -0.029 0.000 0.180 330 G C 0.808 175.923 174.900 0.359 0.000 1.004 330 G CA 0.791 46.210 45.100 0.532 0.000 0.670 330 G HN 0.822 nan 8.290 nan 0.000 0.496 331 Q N 0.599 120.552 119.800 0.255 0.000 1.967 331 Q HA -0.102 4.220 4.340 -0.029 0.000 0.202 331 Q C 2.656 178.755 176.000 0.166 0.000 0.985 331 Q CA 2.155 58.074 55.803 0.193 0.000 0.839 331 Q CB -0.249 28.577 28.738 0.147 0.000 0.906 331 Q HN 0.692 nan 8.270 nan 0.000 0.423 332 E N 0.420 120.723 120.200 0.172 0.000 2.242 332 E HA -0.330 4.003 4.350 -0.029 0.000 0.247 332 E C 1.497 178.196 176.600 0.165 0.000 1.056 332 E CA 1.786 58.298 56.400 0.187 0.000 0.999 332 E CB -1.065 28.786 29.700 0.251 0.000 0.891 332 E HN 0.440 nan 8.360 nan 0.000 0.512 333 Q N 0.653 120.513 119.800 0.100 0.000 2.515 333 Q HA -0.126 4.196 4.340 -0.029 0.000 0.215 333 Q C 0.263 176.262 176.000 -0.001 0.000 0.983 333 Q CA 1.138 56.907 55.803 -0.057 0.000 0.905 333 Q CB -0.950 27.539 28.738 -0.415 0.000 0.961 333 Q HN 0.583 nan 8.270 nan 0.000 0.503 334 H N -0.953 118.100 119.070 -0.028 0.000 2.827 334 H HA -0.199 4.339 4.556 -0.030 0.000 0.330 334 H C -1.470 173.910 175.328 0.086 0.000 1.236 334 H CA 0.216 56.291 56.048 0.044 0.000 1.165 334 H CB -1.630 28.152 29.762 0.034 0.000 1.532 334 H HN 0.385 nan 8.280 nan 0.000 0.434 335 Y N 1.142 121.484 120.300 0.070 0.000 2.600 335 Y HA 0.255 4.788 4.550 -0.028 0.000 0.351 335 Y C 1.665 177.556 175.900 -0.014 0.000 1.042 335 Y CA -0.149 57.975 58.100 0.039 0.000 1.333 335 Y CB 0.675 39.162 38.460 0.045 0.000 1.172 335 Y HN 0.531 nan 8.280 nan 0.000 0.517 336 A N 3.706 126.597 122.820 0.118 0.000 1.915 336 A HA -0.037 4.265 4.320 -0.029 0.000 0.220 336 A C 1.731 179.316 177.584 0.001 0.000 1.198 336 A CA 1.587 53.638 52.037 0.023 0.000 0.647 336 A CB -1.261 17.756 19.000 0.028 0.000 0.825 336 A HN 1.115 nan 8.150 nan 0.000 0.456 337 G N -2.790 106.012 108.800 0.004 0.000 2.806 337 G HA2 0.354 4.296 3.960 -0.029 0.000 0.236 337 G HA3 0.354 4.296 3.960 -0.029 0.000 0.236 337 G C 0.259 175.117 174.900 -0.070 0.000 1.387 337 G CA -0.159 44.914 45.100 -0.044 0.000 0.884 337 G HN 1.932 nan 8.290 nan 0.000 0.560 338 G N -1.223 107.528 108.800 -0.082 0.000 2.701 338 G HA2 0.581 4.524 3.960 -0.029 0.000 0.300 338 G HA3 0.581 4.524 3.960 -0.029 0.000 0.300 338 G C 0.665 175.504 174.900 -0.101 0.000 1.410 338 G CA 0.721 45.767 45.100 -0.090 0.000 1.014 338 G HN 0.939 nan 8.290 nan 0.000 0.509 339 N N 0.251 118.882 118.700 -0.115 0.000 2.200 339 N HA -0.198 4.525 4.740 -0.029 0.000 0.199 339 N C 0.071 175.520 175.510 -0.102 0.000 0.987 339 N CA 2.194 55.177 53.050 -0.112 0.000 0.908 339 N CB 0.148 38.576 38.487 -0.099 0.000 1.035 339 N HN 0.684 nan 8.380 nan 0.000 0.481 340 D N -3.304 117.048 120.400 -0.080 0.000 3.105 340 D HA 0.022 4.645 4.640 -0.029 0.000 0.297 340 D C -1.915 174.363 176.300 -0.036 0.000 1.148 340 D CA 0.230 54.190 54.000 -0.067 0.000 0.721 340 D CB -0.372 40.382 40.800 -0.077 0.000 1.295 340 D HN 0.072 nan 8.370 nan 0.000 0.457 341 P HA -0.246 nan 4.420 nan 0.000 0.203 341 P C 0.041 177.363 177.300 0.036 0.000 1.117 341 P CA 2.265 65.380 63.100 0.025 0.000 0.776 341 P CB -0.592 31.134 31.700 0.043 0.000 0.606 342 A N -1.376 121.431 122.820 -0.022 0.000 3.106 342 A HA 0.336 4.639 4.320 -0.029 0.000 0.306 342 A C 1.265 178.808 177.584 -0.069 0.000 1.192 342 A CA -0.342 51.661 52.037 -0.055 0.000 0.994 342 A CB -0.336 18.627 19.000 -0.063 0.000 1.107 342 A HN 0.231 nan 8.150 nan 0.000 0.585 343 N N -0.309 118.363 118.700 -0.045 0.000 2.348 343 N HA 0.045 4.767 4.740 -0.029 0.000 0.183 343 N C 1.165 176.672 175.510 -0.005 0.000 1.094 343 N CA 0.188 53.222 53.050 -0.026 0.000 0.885 343 N CB 0.297 38.768 38.487 -0.027 0.000 1.065 343 N HN 0.357 nan 8.380 nan 0.000 0.472 344 R N 1.534 122.017 120.500 -0.029 0.000 0.595 344 R HA 0.136 4.458 4.340 -0.029 0.000 0.044 344 R C -0.083 176.117 176.300 -0.166 0.000 0.435 344 R CA 0.436 56.503 56.100 -0.055 0.000 2.175 344 R CB -0.204 30.113 30.300 0.027 0.000 0.479 344 R HN 0.119 nan 8.270 nan 0.000 0.808 345 E N -1.826 118.251 120.200 -0.206 0.000 5.832 345 E HA -0.051 4.281 4.350 -0.029 0.000 0.202 345 E C -1.231 175.190 176.600 -0.298 0.000 1.082 345 E CA 0.292 56.457 56.400 -0.392 0.000 1.355 345 E CB -1.711 27.543 29.700 -0.744 0.000 0.981 345 E HN 0.678 nan 8.360 nan 0.000 0.367 346 A N 2.063 124.776 122.820 -0.178 0.000 2.291 346 A HA -0.186 4.116 4.320 -0.029 0.000 0.313 346 A C 1.738 179.321 177.584 -0.002 0.000 1.108 346 A CA 1.690 53.703 52.037 -0.039 0.000 1.273 346 A CB -0.513 17.932 19.000 -0.925 0.000 0.773 346 A HN 0.618 nan 8.150 nan 0.000 0.415 347 T N 1.518 116.230 114.554 0.264 0.000 2.792 347 T HA -0.244 4.089 4.350 -0.029 0.000 0.268 347 T C 1.198 175.893 174.700 -0.008 0.000 1.059 347 T CA 2.486 64.752 62.100 0.276 0.000 1.136 347 T CB -0.337 68.605 68.868 0.122 0.000 0.846 347 T HN 1.058 nan 8.240 nan 0.000 0.489 348 W N 0.614 121.766 121.300 -0.245 0.000 3.077 348 W HA 0.258 4.899 4.660 -0.031 0.000 0.245 348 W C 1.267 177.629 176.519 -0.261 0.000 1.316 348 W CA -0.411 56.676 57.345 -0.430 0.000 1.537 348 W CB -0.677 28.590 29.460 -0.322 0.000 1.131 348 W HN 0.202 nan 8.180 nan 0.000 0.695 349 L N 1.368 122.006 121.223 -0.975 0.000 2.369 349 L HA -0.205 4.117 4.340 -0.029 0.000 0.220 349 L C 1.319 177.915 176.870 -0.456 0.000 1.119 349 L CA 1.587 55.913 54.840 -0.857 0.000 0.780 349 L CB -0.470 41.318 42.059 -0.451 0.000 0.906 349 L HN 0.151 nan 8.230 nan 0.000 0.442 350 S N -2.098 113.385 115.700 -0.361 0.000 2.600 350 S HA 0.530 4.983 4.470 -0.029 0.000 0.300 350 S C 0.811 175.213 174.600 -0.331 0.000 1.087 350 S CA -0.321 57.730 58.200 -0.248 0.000 0.965 350 S CB 1.720 64.815 63.200 -0.175 0.000 1.089 350 S HN 0.130 nan 8.310 nan 0.000 0.496 351 G N 1.568 110.259 108.800 -0.181 0.000 3.186 351 G HA2 0.250 4.192 3.960 -0.029 0.000 0.214 351 G HA3 0.250 4.192 3.960 -0.029 0.000 0.214 351 G C -0.640 174.313 174.900 0.089 0.000 1.222 351 G CA -0.044 45.007 45.100 -0.081 0.000 0.921 351 G HN 0.854 nan 8.290 nan 0.000 0.504 352 Y N -2.356 117.995 120.300 0.085 0.000 2.788 352 Y HA -0.134 4.400 4.550 -0.027 0.000 0.050 352 Y C -1.833 174.097 175.900 0.049 0.000 1.997 352 Y CA -0.552 57.629 58.100 0.134 0.000 1.194 352 Y CB -1.563 37.012 38.460 0.191 0.000 1.860 352 Y HN 0.246 nan 8.280 nan 0.000 0.294 353 P HA 0.004 nan 4.420 nan 0.000 0.244 353 P C 1.223 178.463 177.300 -0.100 0.000 1.632 353 P CA 0.725 63.831 63.100 0.009 0.000 0.944 353 P CB 0.609 32.310 31.700 0.002 0.000 1.569 354 T N 1.050 115.506 114.554 -0.164 0.000 2.902 354 T HA -0.213 4.119 4.350 -0.029 0.000 0.260 354 T C 0.895 174.927 174.700 -1.112 0.000 1.064 354 T CA 2.298 63.960 62.100 -0.730 0.000 1.152 354 T CB -0.721 67.955 68.868 -0.321 0.000 0.810 354 T HN 0.306 nan 8.240 nan 0.000 0.523 355 D N 0.228 120.355 120.400 -0.454 0.000 2.538 355 D HA 0.190 4.813 4.640 -0.029 0.000 0.231 355 D C 0.636 176.879 176.300 -0.096 0.000 1.229 355 D CA 0.036 53.882 54.000 -0.257 0.000 0.828 355 D CB -0.315 40.393 40.800 -0.154 0.000 1.035 355 D HN 0.478 nan 8.370 nan 0.000 0.495 356 S N -0.289 115.373 115.700 -0.063 0.000 2.611 356 S HA -0.007 4.445 4.470 -0.029 0.000 0.252 356 S C 1.283 175.911 174.600 0.048 0.000 1.369 356 S CA -0.466 57.739 58.200 0.009 0.000 0.975 356 S CB 1.204 64.422 63.200 0.031 0.000 0.937 356 S HN 0.043 nan 8.310 nan 0.000 0.584 357 E N 0.122 120.345 120.200 0.038 0.000 2.012 357 E HA -0.126 4.206 4.350 -0.029 0.000 0.197 357 E C 2.157 178.808 176.600 0.085 0.000 1.007 357 E CA 1.024 57.450 56.400 0.044 0.000 0.816 357 E CB -0.507 29.198 29.700 0.009 0.000 0.762 357 E HN 0.499 nan 8.360 nan 0.000 0.451 358 L N 0.244 121.529 121.223 0.104 0.000 2.013 358 L HA -0.245 4.077 4.340 -0.029 0.000 0.212 358 L C 2.455 179.414 176.870 0.149 0.000 1.073 358 L CA 1.678 56.592 54.840 0.123 0.000 0.753 358 L CB -1.445 40.698 42.059 0.139 0.000 0.890 358 L HN 0.231 nan 8.230 nan 0.000 0.432 359 Y N 0.846 121.164 120.300 0.030 0.000 2.040 359 Y HA -0.358 4.171 4.550 -0.035 0.000 0.275 359 Y C 2.785 178.673 175.900 -0.019 0.000 1.171 359 Y CA 2.211 60.309 58.100 -0.004 0.000 1.123 359 Y CB -0.189 38.265 38.460 -0.011 0.000 0.963 359 Y HN 0.123 nan 8.280 nan 0.000 0.493 360 K N -0.280 120.257 120.400 0.229 0.000 2.034 360 K HA -0.282 4.021 4.320 -0.029 0.000 0.214 360 K C 2.074 178.705 176.600 0.052 0.000 1.051 360 K CA 2.028 58.382 56.287 0.112 0.000 0.931 360 K CB -0.739 31.803 32.500 0.070 0.000 0.715 360 K HN 0.345 nan 8.250 nan 0.000 0.446 361 L N 1.299 122.553 121.223 0.050 0.000 2.012 361 L HA -0.209 4.114 4.340 -0.029 0.000 0.210 361 L C 2.056 178.928 176.870 0.003 0.000 1.073 361 L CA 1.505 56.363 54.840 0.030 0.000 0.748 361 L CB -0.194 41.891 42.059 0.044 0.000 0.891 361 L HN 0.173 nan 8.230 nan 0.000 0.431 362 I N -0.164 120.401 120.570 -0.008 0.000 2.099 362 I HA -0.325 3.827 4.170 -0.029 0.000 0.239 362 I C 2.744 178.734 176.117 -0.210 0.000 1.066 362 I CA 1.317 62.560 61.300 -0.095 0.000 1.324 362 I CB -0.846 37.093 38.000 -0.101 0.000 1.037 362 I HN 0.408 nan 8.210 nan 0.000 0.401 363 A N 0.381 123.096 122.820 -0.176 0.000 1.842 363 A HA -0.267 4.035 4.320 -0.029 0.000 0.217 363 A C 2.499 180.012 177.584 -0.119 0.000 1.206 363 A CA 2.733 54.676 52.037 -0.158 0.000 0.630 363 A CB -1.148 17.824 19.000 -0.046 0.000 0.839 363 A HN 0.408 nan 8.150 nan 0.000 0.447 364 S N -0.381 115.277 115.700 -0.071 0.000 2.356 364 S HA -0.038 4.414 4.470 -0.029 0.000 0.223 364 S C 2.302 176.858 174.600 -0.074 0.000 1.032 364 S CA 1.413 59.574 58.200 -0.064 0.000 1.005 364 S CB -0.545 62.634 63.200 -0.036 0.000 0.867 364 S HN 0.829 nan 8.310 nan 0.000 0.449 365 A N 2.339 125.124 122.820 -0.057 0.000 1.854 365 A HA -0.080 4.223 4.320 -0.029 0.000 0.214 365 A C 1.996 179.540 177.584 -0.066 0.000 1.192 365 A CA 1.294 53.305 52.037 -0.042 0.000 0.611 365 A CB -0.812 18.187 19.000 -0.003 0.000 0.832 365 A HN 0.403 nan 8.150 nan 0.000 0.442 366 N N 0.572 119.213 118.700 -0.098 0.000 2.094 366 N HA -0.197 4.526 4.740 -0.029 0.000 0.191 366 N C 1.921 177.363 175.510 -0.113 0.000 1.023 366 N CA 1.664 54.645 53.050 -0.116 0.000 0.857 366 N CB -0.573 37.750 38.487 -0.273 0.000 1.013 366 N HN 0.438 nan 8.380 nan 0.000 0.426 367 A N 1.709 124.452 122.820 -0.128 0.000 1.896 367 A HA -0.223 4.080 4.320 -0.029 0.000 0.220 367 A C 2.372 179.896 177.584 -0.101 0.000 1.206 367 A CA 1.737 53.710 52.037 -0.107 0.000 0.647 367 A CB -1.089 17.842 19.000 -0.115 0.000 0.828 367 A HN 0.440 nan 8.150 nan 0.000 0.455 368 I N -1.164 119.319 120.570 -0.146 0.000 2.185 368 I HA -0.355 3.797 4.170 -0.029 0.000 0.246 368 I C 2.631 178.588 176.117 -0.267 0.000 1.088 368 I CA 2.088 63.247 61.300 -0.235 0.000 1.347 368 I CB -0.228 37.600 38.000 -0.286 0.000 1.041 368 I HN 0.403 nan 8.210 nan 0.000 0.415 369 R N 0.646 121.008 120.500 -0.231 0.000 2.113 369 R HA -0.240 4.082 4.340 -0.029 0.000 0.231 369 R C 2.103 178.177 176.300 -0.377 0.000 1.129 369 R CA 2.557 58.447 56.100 -0.350 0.000 0.915 369 R CB -0.394 29.822 30.300 -0.140 0.000 0.837 369 R HN 0.502 nan 8.270 nan 0.000 0.430 370 N N -0.026 118.564 118.700 -0.182 0.000 2.036 370 N HA -0.251 4.471 4.740 -0.029 0.000 0.195 370 N C 1.571 176.995 175.510 -0.144 0.000 1.037 370 N CA 1.567 54.545 53.050 -0.119 0.000 0.855 370 N CB -1.103 37.351 38.487 -0.056 0.000 1.033 370 N HN 0.294 nan 8.380 nan 0.000 0.423 371 Y N 1.773 121.956 120.300 -0.196 0.000 2.002 371 Y HA -0.328 4.213 4.550 -0.015 0.000 0.268 371 Y C 2.428 178.217 175.900 -0.185 0.000 1.177 371 Y CA 2.157 60.144 58.100 -0.188 0.000 1.111 371 Y CB -1.042 37.281 38.460 -0.227 0.000 0.952 371 Y HN 0.130 nan 8.280 nan 0.000 0.491 372 A N 0.374 122.845 122.820 -0.582 0.000 1.896 372 A HA -0.297 4.005 4.320 -0.029 0.000 0.220 372 A C 2.358 179.719 177.584 -0.371 0.000 1.206 372 A CA 2.870 54.624 52.037 -0.470 0.000 0.647 372 A CB -1.485 17.343 19.000 -0.287 0.000 0.828 372 A HN 0.638 nan 8.150 nan 0.000 0.455 373 I N -0.574 119.814 120.570 -0.303 0.000 2.127 373 I HA -0.274 3.879 4.170 -0.029 0.000 0.241 373 I C 2.735 178.747 176.117 -0.175 0.000 1.075 373 I CA 1.567 62.769 61.300 -0.164 0.000 1.334 373 I CB -0.719 37.223 38.000 -0.098 0.000 1.040 373 I HN 0.261 nan 8.210 nan 0.000 0.405 374 S N 0.487 116.058 115.700 -0.215 0.000 2.390 374 S HA -0.310 4.143 4.470 -0.029 0.000 0.234 374 S C 2.048 176.535 174.600 -0.187 0.000 1.063 374 S CA 1.982 60.073 58.200 -0.182 0.000 1.108 374 S CB -0.308 62.776 63.200 -0.194 0.000 0.975 374 S HN 0.273 nan 8.310 nan 0.000 0.442 375 K N 1.115 121.338 120.400 -0.295 0.000 2.103 375 K HA 0.020 4.322 4.320 -0.029 0.000 0.204 375 K C 0.541 177.062 176.600 -0.131 0.000 1.052 375 K CA 1.065 57.226 56.287 -0.210 0.000 0.945 375 K CB 0.159 32.466 32.500 -0.322 0.000 0.722 375 K HN 0.455 nan 8.250 nan 0.000 0.443 376 D N 0.167 120.481 120.400 -0.142 0.000 2.472 376 D HA 0.022 4.645 4.640 -0.029 0.000 0.248 376 D C -0.316 175.959 176.300 -0.042 0.000 1.271 376 D CA -0.245 53.712 54.000 -0.072 0.000 0.888 376 D CB 0.307 41.078 40.800 -0.049 0.000 1.337 376 D HN 0.076 nan 8.370 nan 0.000 0.526 377 T N -1.543 112.997 114.554 -0.024 0.000 3.193 377 T HA 0.423 4.756 4.350 -0.029 0.000 0.407 377 T C 1.544 176.287 174.700 0.071 0.000 1.146 377 T CA 0.719 62.831 62.100 0.019 0.000 1.085 377 T CB -0.110 68.766 68.868 0.012 0.000 1.424 377 T HN 0.966 nan 8.240 nan 0.000 0.521 378 G N -0.476 108.383 108.800 0.099 0.000 2.157 378 G HA2 -0.270 3.672 3.960 -0.029 0.000 0.248 378 G HA3 -0.270 3.672 3.960 -0.029 0.000 0.248 378 G C 0.340 175.347 174.900 0.178 0.000 0.979 378 G CA 0.479 45.645 45.100 0.111 0.000 0.650 378 G HN 0.928 nan 8.290 nan 0.000 0.529 379 F N 0.671 120.642 119.950 0.034 0.000 2.615 379 F HA 0.415 4.929 4.527 -0.023 0.000 0.297 379 F C 2.098 177.945 175.800 0.078 0.000 1.124 379 F CA 1.421 59.448 58.000 0.046 0.000 1.451 379 F CB -0.106 38.902 39.000 0.013 0.000 1.103 379 F HN 0.158 nan 8.300 nan 0.000 0.569 380 V N 0.883 120.768 119.914 -0.049 0.000 2.221 380 V HA -0.348 3.754 4.120 -0.029 0.000 0.244 380 V C 2.257 178.268 176.094 -0.140 0.000 1.043 380 V CA 3.126 65.347 62.300 -0.133 0.000 0.996 380 V CB -0.844 30.981 31.823 0.003 0.000 0.636 380 V HN 0.564 nan 8.190 nan 0.000 0.454 381 T N -0.774 113.751 114.554 -0.048 0.000 2.516 381 T HA -0.316 4.016 4.350 -0.029 0.000 0.261 381 T C 1.002 175.667 174.700 -0.059 0.000 1.130 381 T CA 1.543 63.616 62.100 -0.045 0.000 1.193 381 T CB -0.796 68.060 68.868 -0.020 0.000 0.864 381 T HN 0.572 nan 8.240 nan 0.000 0.410 382 Y N 3.769 124.010 120.300 -0.097 0.000 2.735 382 Y HA -0.173 4.360 4.550 -0.028 0.000 0.332 382 Y C -0.016 175.817 175.900 -0.112 0.000 1.174 382 Y CA -0.403 57.639 58.100 -0.096 0.000 1.177 382 Y CB -0.872 37.535 38.460 -0.088 0.000 1.266 382 Y HN -0.018 nan 8.280 nan 0.000 0.353 383 K N 5.001 125.110 120.400 -0.484 0.000 2.161 383 K HA -0.150 4.152 4.320 -0.029 0.000 0.260 383 K C 0.307 176.825 176.600 -0.137 0.000 1.158 383 K CA 0.254 56.386 56.287 -0.257 0.000 1.172 383 K CB -0.615 31.731 32.500 -0.257 0.000 0.917 383 K HN 0.634 nan 8.250 nan 0.000 0.410 384 N N 4.935 123.646 118.700 0.017 0.000 2.102 384 N HA -0.098 4.624 4.740 -0.029 0.000 0.279 384 N C -2.294 173.289 175.510 0.123 0.000 1.369 384 N CA -0.467 52.649 53.050 0.110 0.000 1.045 384 N CB 0.008 38.510 38.487 0.024 0.000 1.470 384 N HN 0.251 nan 8.380 nan 0.000 0.481 385 P HA 0.057 nan 4.420 nan 0.000 0.281 385 P C 0.091 177.404 177.300 0.022 0.000 1.252 385 P CA -0.278 62.838 63.100 0.026 0.000 0.778 385 P CB 0.174 31.850 31.700 -0.040 0.000 0.895 386 Y N 2.548 122.865 120.300 0.028 0.000 2.571 386 Y HA -0.026 4.507 4.550 -0.029 0.000 0.294 386 Y C 2.306 178.352 175.900 0.242 0.000 1.141 386 Y CA -0.247 57.893 58.100 0.068 0.000 1.308 386 Y CB -0.970 37.292 38.460 -0.329 0.000 1.002 386 Y HN 0.218 nan 8.280 nan 0.000 0.551 387 I N -0.042 120.353 120.570 -0.291 0.000 4.199 387 I HA -0.564 3.588 4.170 -0.029 0.000 0.114 387 I C 0.732 176.933 176.117 0.140 0.000 0.624 387 I CA 2.488 63.693 61.300 -0.159 0.000 0.951 387 I CB -0.226 37.740 38.000 -0.057 0.000 0.827 387 I HN 0.447 nan 8.210 nan 0.000 0.217 388 K N 1.578 122.133 120.400 0.258 0.000 2.507 388 K HA 0.204 4.506 4.320 -0.029 0.000 0.251 388 K C -1.678 174.938 176.600 0.027 0.000 0.943 388 K CA -0.260 56.129 56.287 0.171 0.000 0.794 388 K CB 1.212 33.756 32.500 0.074 0.000 1.188 388 K HN 0.420 nan 8.250 nan 0.000 0.428 389 D N 3.646 123.816 120.400 -0.383 0.000 2.420 389 D HA 0.139 4.761 4.640 -0.029 0.000 0.255 389 D C -0.431 175.682 176.300 -0.312 0.000 1.185 389 D CA -0.273 53.429 54.000 -0.495 0.000 0.904 389 D CB 1.352 41.548 40.800 -1.006 0.000 1.102 389 D HN 0.537 nan 8.370 nan 0.000 0.534 390 D N 2.243 122.554 120.400 -0.148 0.000 2.736 390 D HA 0.090 4.712 4.640 -0.029 0.000 0.251 390 D C 1.095 177.354 176.300 -0.069 0.000 1.348 390 D CA 0.623 54.569 54.000 -0.089 0.000 1.160 390 D CB 0.349 41.132 40.800 -0.029 0.000 0.928 390 D HN 0.256 nan 8.370 nan 0.000 0.228 391 T N -0.986 113.554 114.554 -0.023 0.000 3.015 391 T HA 0.205 4.537 4.350 -0.029 0.000 0.250 391 T C 0.584 175.254 174.700 -0.050 0.000 1.057 391 T CA 0.677 62.761 62.100 -0.027 0.000 1.066 391 T CB 0.149 69.025 68.868 0.012 0.000 0.959 391 T HN 0.489 nan 8.240 nan 0.000 0.488 392 T N 0.038 114.583 114.554 -0.015 0.000 2.901 392 T HA 0.772 5.104 4.350 -0.029 0.000 0.293 392 T C -0.647 174.047 174.700 -0.010 0.000 1.084 392 T CA -0.959 61.127 62.100 -0.024 0.000 1.008 392 T CB 1.624 70.522 68.868 0.049 0.000 1.170 392 T HN 0.066 nan 8.240 nan 0.000 0.509 393 I N 0.959 121.526 120.570 -0.004 0.000 2.577 393 I HA 0.728 4.880 4.170 -0.029 0.000 0.305 393 I C 0.056 176.237 176.117 0.107 0.000 0.986 393 I CA -1.095 60.234 61.300 0.049 0.000 1.189 393 I CB 1.791 39.825 38.000 0.056 0.000 1.355 393 I HN 1.014 nan 8.210 nan 0.000 0.476 394 A N 5.829 128.731 122.820 0.136 0.000 2.465 394 A HA 0.838 5.141 4.320 -0.029 0.000 0.292 394 A C -0.972 176.712 177.584 0.166 0.000 1.041 394 A CA -0.593 51.529 52.037 0.142 0.000 0.718 394 A CB 1.342 20.406 19.000 0.106 0.000 1.266 394 A HN 0.590 nan 8.150 nan 0.000 0.403 395 M N 0.476 120.173 119.600 0.161 0.000 2.644 395 M HA 0.739 5.202 4.480 -0.029 0.000 0.304 395 M C -0.305 176.046 176.300 0.085 0.000 1.215 395 M CA -0.667 54.721 55.300 0.147 0.000 0.871 395 M CB 1.617 34.335 32.600 0.196 0.000 1.740 395 M HN 0.570 nan 8.290 nan 0.000 0.464 396 R N 1.226 121.761 120.500 0.058 0.000 2.215 396 R HA 0.614 4.936 4.340 -0.029 0.000 0.337 396 R C -1.290 174.946 176.300 -0.107 0.000 1.010 396 R CA -0.302 55.790 56.100 -0.014 0.000 0.871 396 R CB 0.682 30.964 30.300 -0.031 0.000 1.134 396 R HN 0.846 nan 8.270 nan 0.000 0.477 397 K N 3.454 123.682 120.400 -0.287 0.000 2.427 397 K HA 0.671 4.973 4.320 -0.029 0.000 0.252 397 K C -0.836 175.352 176.600 -0.688 0.000 0.931 397 K CA -0.163 55.804 56.287 -0.532 0.000 0.793 397 K CB 1.855 34.339 32.500 -0.027 0.000 1.211 397 K HN 0.795 nan 8.250 nan 0.000 0.426 398 G N 1.236 109.489 108.800 -0.911 0.000 2.265 398 G HA2 -0.055 3.887 3.960 -0.029 0.000 0.246 398 G HA3 -0.055 3.887 3.960 -0.029 0.000 0.246 398 G C -0.736 174.128 174.900 -0.060 0.000 1.299 398 G CA -0.271 44.677 45.100 -0.254 0.000 1.117 398 G HN 0.657 nan 8.290 nan 0.000 0.485 399 T N 0.035 114.592 114.554 0.004 0.000 2.619 399 T HA 0.636 4.969 4.350 -0.029 0.000 0.244 399 T C 0.796 175.514 174.700 0.030 0.000 0.893 399 T CA 0.326 62.463 62.100 0.060 0.000 1.093 399 T CB 0.666 69.573 68.868 0.065 0.000 1.567 399 T HN 0.977 nan 8.240 nan 0.000 0.549 400 D N 0.427 120.847 120.400 0.033 0.000 2.045 400 D HA 0.158 4.780 4.640 -0.029 0.000 0.280 400 D C 1.427 177.738 176.300 0.018 0.000 1.117 400 D CA 0.417 54.431 54.000 0.023 0.000 1.001 400 D CB -0.951 39.864 40.800 0.024 0.000 1.159 400 D HN 0.938 nan 8.370 nan 0.000 0.477 401 G N -0.230 108.582 108.800 0.019 0.000 2.449 401 G HA2 -0.329 3.614 3.960 -0.029 0.000 0.304 401 G HA3 -0.329 3.614 3.960 -0.029 0.000 0.304 401 G C 0.579 175.494 174.900 0.025 0.000 0.962 401 G CA 1.505 46.617 45.100 0.020 0.000 0.943 401 G HN 1.408 nan 8.290 nan 0.000 0.514 402 S N -2.976 112.742 115.700 0.030 0.000 3.427 402 S HA -0.313 4.139 4.470 -0.029 0.000 0.373 402 S C 0.603 175.223 174.600 0.033 0.000 0.973 402 S CA 1.934 60.160 58.200 0.042 0.000 1.218 402 S CB -1.296 61.938 63.200 0.056 0.000 0.912 402 S HN 0.915 nan 8.310 nan 0.000 0.483 403 Q N -0.053 119.756 119.800 0.016 0.000 2.286 403 Q HA 0.466 4.788 4.340 -0.029 0.000 0.281 403 Q C -0.134 175.850 176.000 -0.026 0.000 0.897 403 Q CA -0.068 55.743 55.803 0.015 0.000 1.023 403 Q CB 0.361 29.109 28.738 0.017 0.000 1.151 403 Q HN 0.742 nan 8.270 nan 0.000 0.445 404 I N 1.481 122.003 120.570 -0.081 0.000 2.310 404 I HA 0.164 4.317 4.170 -0.029 0.000 0.287 404 I C -0.643 175.317 176.117 -0.262 0.000 1.073 404 I CA -0.493 60.693 61.300 -0.190 0.000 1.216 404 I CB 1.096 38.965 38.000 -0.219 0.000 1.415 404 I HN -0.039 nan 8.210 nan 0.000 0.480 405 V N 7.383 127.144 119.914 -0.256 0.000 2.370 405 V HA 0.460 4.562 4.120 -0.029 0.000 0.283 405 V C 0.195 176.250 176.094 -0.064 0.000 1.023 405 V CA -0.061 62.114 62.300 -0.209 0.000 0.857 405 V CB 1.909 33.647 31.823 -0.142 0.000 0.985 405 V HN 0.772 nan 8.190 nan 0.000 0.443 406 T N 5.653 120.206 114.554 -0.001 0.000 2.772 406 T HA 0.680 5.012 4.350 -0.029 0.000 0.288 406 T C -0.583 174.174 174.700 0.094 0.000 0.994 406 T CA -0.389 61.728 62.100 0.028 0.000 0.951 406 T CB 0.666 69.540 68.868 0.009 0.000 0.933 406 T HN 0.524 nan 8.240 nan 0.000 0.447 407 I N 5.121 125.755 120.570 0.107 0.000 2.328 407 I HA 0.339 4.492 4.170 -0.029 0.000 0.287 407 I C -0.055 176.151 176.117 0.148 0.000 1.012 407 I CA -1.214 60.169 61.300 0.138 0.000 1.195 407 I CB 1.376 39.471 38.000 0.158 0.000 1.350 407 I HN 0.521 nan 8.210 nan 0.000 0.464 408 L N 3.076 124.381 121.223 0.138 0.000 2.277 408 L HA 0.673 4.995 4.340 -0.029 0.000 0.284 408 L C -0.670 176.284 176.870 0.140 0.000 1.028 408 L CA -0.049 54.871 54.840 0.133 0.000 0.835 408 L CB 0.633 42.760 42.059 0.113 0.000 1.215 408 L HN 0.449 nan 8.230 nan 0.000 0.425 409 S N 4.422 120.207 115.700 0.142 0.000 2.473 409 S HA 0.675 5.127 4.470 -0.029 0.000 0.307 409 S C -0.099 174.544 174.600 0.071 0.000 1.094 409 S CA -0.742 57.537 58.200 0.132 0.000 1.070 409 S CB 1.809 65.123 63.200 0.190 0.000 1.019 409 S HN 0.891 nan 8.310 nan 0.000 0.480 410 N N 1.692 120.423 118.700 0.052 0.000 2.545 410 N HA 0.512 5.234 4.740 -0.029 0.000 0.289 410 N C -0.909 174.567 175.510 -0.057 0.000 1.279 410 N CA -0.911 52.119 53.050 -0.034 0.000 0.824 410 N CB 0.950 39.394 38.487 -0.072 0.000 1.395 410 N HN 0.604 nan 8.380 nan 0.000 0.526 411 K N -2.084 118.250 120.400 -0.111 0.000 2.288 411 K HA 0.682 4.984 4.320 -0.029 0.000 0.234 411 K C -0.119 176.446 176.600 -0.058 0.000 1.037 411 K CA -0.697 55.554 56.287 -0.060 0.000 0.914 411 K CB 0.733 33.175 32.500 -0.097 0.000 1.197 411 K HN 0.790 nan 8.250 nan 0.000 0.471 412 G N -0.576 108.216 108.800 -0.014 0.000 2.897 412 G HA2 0.035 3.978 3.960 -0.029 0.000 0.436 412 G HA3 0.035 3.978 3.960 -0.029 0.000 0.436 412 G C 0.381 175.280 174.900 -0.002 0.000 1.079 412 G CA -0.256 44.834 45.100 -0.018 0.000 1.090 412 G HN 0.804 nan 8.290 nan 0.000 0.480 413 A N 1.407 124.240 122.820 0.022 0.000 2.119 413 A HA 0.311 4.614 4.320 -0.029 0.000 0.217 413 A C 2.613 180.204 177.584 0.012 0.000 1.153 413 A CA 2.223 54.273 52.037 0.022 0.000 0.692 413 A CB -0.221 18.799 19.000 0.035 0.000 0.799 413 A HN 1.339 nan 8.150 nan 0.000 0.458 414 S N -0.790 114.914 115.700 0.007 0.000 2.387 414 S HA 0.184 4.636 4.470 -0.029 0.000 0.230 414 S C 1.375 175.974 174.600 -0.001 0.000 1.035 414 S CA 1.075 59.277 58.200 0.002 0.000 1.014 414 S CB -0.703 62.496 63.200 -0.003 0.000 0.836 414 S HN 1.759 nan 8.310 nan 0.000 0.466 415 G N 0.872 109.666 108.800 -0.010 0.000 2.916 415 G HA2 -0.146 3.796 3.960 -0.029 0.000 0.533 415 G HA3 -0.146 3.796 3.960 -0.029 0.000 0.533 415 G C -0.550 174.345 174.900 -0.008 0.000 1.516 415 G CA 0.104 45.197 45.100 -0.011 0.000 0.944 415 G HN 0.464 nan 8.290 nan 0.000 0.555 416 D N -1.176 119.227 120.400 0.005 0.000 4.049 416 D HA 0.263 4.886 4.640 -0.029 0.000 0.241 416 D C 0.302 176.648 176.300 0.076 0.000 1.472 416 D CA 0.757 54.774 54.000 0.028 0.000 0.879 416 D CB -0.618 40.187 40.800 0.008 0.000 1.386 416 D HN 1.224 nan 8.370 nan 0.000 0.813 417 S N 1.462 117.207 115.700 0.076 0.000 3.995 417 S HA -0.268 4.184 4.470 -0.029 0.000 0.195 417 S C -0.392 174.306 174.600 0.163 0.000 0.580 417 S CA 0.426 58.685 58.200 0.097 0.000 1.355 417 S CB -1.007 62.230 63.200 0.062 0.000 1.717 417 S HN 0.477 nan 8.310 nan 0.000 0.343 418 Y N 2.869 123.174 120.300 0.010 0.000 2.593 418 Y HA 0.281 4.813 4.550 -0.030 0.000 0.331 418 Y C 0.426 176.332 175.900 0.010 0.000 0.986 418 Y CA -0.602 57.504 58.100 0.009 0.000 1.262 418 Y CB 0.687 39.153 38.460 0.010 0.000 1.098 418 Y HN 0.395 nan 8.280 nan 0.000 0.506 419 T N 6.599 121.064 114.554 -0.148 0.000 2.821 419 T HA 0.398 4.730 4.350 -0.029 0.000 0.307 419 T C -0.229 174.336 174.700 -0.225 0.000 1.034 419 T CA -0.695 61.318 62.100 -0.144 0.000 0.953 419 T CB 0.432 69.261 68.868 -0.065 0.000 0.968 419 T HN 0.525 nan 8.240 nan 0.000 0.462 420 L N 0.249 121.339 121.223 -0.223 0.000 2.267 420 L HA 0.939 5.261 4.340 -0.029 0.000 0.264 420 L C -0.677 176.139 176.870 -0.088 0.000 1.021 420 L CA -1.097 53.626 54.840 -0.195 0.000 0.861 420 L CB 1.737 43.628 42.059 -0.280 0.000 1.443 420 L HN 0.515 nan 8.230 nan 0.000 0.475 421 S N 2.312 117.977 115.700 -0.059 0.000 2.667 421 S HA 0.345 4.798 4.470 -0.029 0.000 0.304 421 S C -0.301 174.301 174.600 0.003 0.000 1.135 421 S CA -0.666 57.522 58.200 -0.020 0.000 1.125 421 S CB 0.923 64.113 63.200 -0.017 0.000 0.996 421 S HN 0.581 nan 8.310 nan 0.000 0.474 422 L N 3.741 124.980 121.223 0.026 0.000 2.780 422 L HA 0.095 4.418 4.340 -0.029 0.000 0.275 422 L C 1.190 178.084 176.870 0.041 0.000 1.153 422 L CA 0.922 55.789 54.840 0.045 0.000 0.993 422 L CB -0.983 41.120 42.059 0.074 0.000 1.319 422 L HN 0.828 nan 8.230 nan 0.000 0.479 423 S N 4.155 119.873 115.700 0.030 0.000 2.444 423 S HA -0.098 4.354 4.470 -0.029 0.000 0.225 423 S C 1.177 175.786 174.600 0.016 0.000 1.042 423 S CA 1.423 59.637 58.200 0.024 0.000 1.132 423 S CB -0.439 62.776 63.200 0.025 0.000 1.099 423 S HN 0.948 nan 8.310 nan 0.000 0.417 424 G N -1.138 107.664 108.800 0.004 0.000 2.679 424 G HA2 0.404 4.346 3.960 -0.029 0.000 0.202 424 G HA3 0.404 4.346 3.960 -0.029 0.000 0.202 424 G C 0.755 175.622 174.900 -0.055 0.000 1.566 424 G CA 0.400 45.483 45.100 -0.028 0.000 1.074 424 G HN 1.361 nan 8.290 nan 0.000 0.564 425 A N -2.493 120.251 122.820 -0.127 0.000 3.384 425 A HA -0.150 4.152 4.320 -0.029 0.000 0.260 425 A C 1.259 178.593 177.584 -0.417 0.000 1.168 425 A CA 1.300 53.161 52.037 -0.293 0.000 1.253 425 A CB -2.294 16.579 19.000 -0.212 0.000 1.122 425 A HN 1.866 nan 8.150 nan 0.000 0.934 426 S N -0.080 115.513 115.700 -0.178 0.000 3.821 426 S HA -0.092 4.360 4.470 -0.029 0.000 0.161 426 S C 0.198 174.749 174.600 -0.082 0.000 0.337 426 S CA 1.611 59.756 58.200 -0.092 0.000 1.411 426 S CB -1.009 62.154 63.200 -0.061 0.000 1.415 426 S HN 0.664 nan 8.310 nan 0.000 0.281 427 Y N -0.110 120.181 120.300 -0.016 0.000 2.593 427 Y HA 0.481 5.013 4.550 -0.030 0.000 0.330 427 Y C 1.227 177.119 175.900 -0.014 0.000 1.223 427 Y CA -1.070 57.018 58.100 -0.020 0.000 1.350 427 Y CB 0.481 38.925 38.460 -0.028 0.000 1.499 427 Y HN 0.256 nan 8.280 nan 0.000 0.554 428 T N 1.581 116.241 114.554 0.176 0.000 2.863 428 T HA 0.442 4.775 4.350 -0.029 0.000 0.299 428 T C -0.040 174.683 174.700 0.039 0.000 0.973 428 T CA -0.705 61.442 62.100 0.078 0.000 0.994 428 T CB -1.088 67.813 68.868 0.056 0.000 0.961 428 T HN 0.796 nan 8.240 nan 0.000 0.552 429 A N 3.791 126.632 122.820 0.035 0.000 2.320 429 A HA 0.313 4.615 4.320 -0.029 0.000 0.309 429 A C 1.685 179.266 177.584 -0.004 0.000 1.019 429 A CA 0.824 52.869 52.037 0.014 0.000 1.241 429 A CB -1.459 17.550 19.000 0.014 0.000 0.775 429 A HN 1.893 nan 8.150 nan 0.000 0.411 430 G N 0.457 109.244 108.800 -0.022 0.000 2.480 430 G HA2 -0.128 3.814 3.960 -0.029 0.000 0.193 430 G HA3 -0.128 3.814 3.960 -0.029 0.000 0.193 430 G C 0.263 175.128 174.900 -0.058 0.000 1.004 430 G CA 0.195 45.275 45.100 -0.034 0.000 0.696 430 G HN 0.954 nan 8.290 nan 0.000 0.478 431 Q N 1.387 121.140 119.800 -0.078 0.000 2.283 431 Q HA 0.354 4.677 4.340 -0.029 0.000 0.301 431 Q C 0.460 176.342 176.000 -0.197 0.000 1.063 431 Q CA 0.683 56.404 55.803 -0.137 0.000 0.952 431 Q CB 0.566 29.212 28.738 -0.154 0.000 1.166 431 Q HN 0.727 nan 8.270 nan 0.000 0.381 432 Q N 3.962 123.663 119.800 -0.164 0.000 2.314 432 Q HA 0.435 4.757 4.340 -0.029 0.000 0.259 432 Q C -1.265 174.632 176.000 -0.172 0.000 0.951 432 Q CA -0.590 55.128 55.803 -0.142 0.000 0.909 432 Q CB 0.709 29.399 28.738 -0.081 0.000 1.236 432 Q HN 0.422 nan 8.270 nan 0.000 0.444 433 L N 4.124 125.239 121.223 -0.180 0.000 2.319 433 L HA 0.407 4.730 4.340 -0.029 0.000 0.281 433 L C -0.026 176.812 176.870 -0.055 0.000 1.005 433 L CA -0.354 54.392 54.840 -0.157 0.000 0.828 433 L CB 1.466 43.387 42.059 -0.230 0.000 1.227 433 L HN 0.811 nan 8.230 nan 0.000 0.415 434 T N 2.587 117.138 114.554 -0.006 0.000 2.907 434 T HA 0.033 4.365 4.350 -0.029 0.000 0.298 434 T C 1.322 176.051 174.700 0.048 0.000 1.017 434 T CA -0.120 61.994 62.100 0.022 0.000 1.118 434 T CB 1.274 70.168 68.868 0.044 0.000 0.948 434 T HN 0.557 nan 8.240 nan 0.000 0.531 435 E N 2.082 122.305 120.200 0.038 0.000 2.048 435 E HA -0.143 4.190 4.350 -0.029 0.000 0.202 435 E C 0.854 177.489 176.600 0.060 0.000 1.021 435 E CA 1.806 58.234 56.400 0.047 0.000 0.825 435 E CB -0.006 29.715 29.700 0.036 0.000 0.756 435 E HN 0.476 nan 8.360 nan 0.000 0.454 436 V N -2.529 117.415 119.914 0.049 0.000 2.236 436 V HA -0.198 3.904 4.120 -0.029 0.000 0.340 436 V C 1.009 177.112 176.094 0.015 0.000 1.862 436 V CA 0.300 62.624 62.300 0.041 0.000 0.826 436 V CB -1.117 30.743 31.823 0.062 0.000 1.095 436 V HN 0.415 nan 8.190 nan 0.000 0.203 437 I N -0.425 120.144 120.570 -0.001 0.000 4.792 437 I HA -0.370 3.783 4.170 -0.029 0.000 0.050 437 I C 1.891 178.007 176.117 -0.002 0.000 0.633 437 I CA 2.862 64.159 61.300 -0.004 0.000 0.487 437 I CB -2.001 36.005 38.000 0.010 0.000 0.488 437 I HN 1.426 nan 8.210 nan 0.000 0.159 438 G N -0.521 108.284 108.800 0.008 0.000 2.484 438 G HA2 0.194 4.136 3.960 -0.029 0.000 0.218 438 G HA3 0.194 4.136 3.960 -0.029 0.000 0.218 438 G C 0.497 175.399 174.900 0.004 0.000 1.130 438 G CA 0.898 46.002 45.100 0.007 0.000 0.784 438 G HN 0.897 nan 8.290 nan 0.000 0.543 439 c N -2.708 115.896 118.600 0.007 0.000 0.168 439 c HA 0.202 4.754 4.570 -0.029 0.000 0.017 439 c C 0.007 174.103 174.090 0.009 0.000 0.171 439 c CA -0.506 55.825 56.329 0.005 0.000 0.499 439 c CB -1.427 41.080 42.510 -0.004 0.000 3.212 439 c HN 0.898 nan 8.230 nan 0.000 1.118 440 T N 0.376 114.934 114.554 0.007 0.000 3.203 440 T HA 0.193 4.526 4.350 -0.029 0.000 0.432 440 T C -0.779 173.923 174.700 0.002 0.000 1.320 440 T CA 0.158 62.262 62.100 0.006 0.000 1.016 440 T CB 0.308 69.184 68.868 0.013 0.000 1.511 440 T HN 1.350 nan 8.240 nan 0.000 0.431 441 T N 3.195 117.745 114.554 -0.006 0.000 2.729 441 T HA 0.501 4.833 4.350 -0.029 0.000 0.296 441 T C 0.214 174.900 174.700 -0.024 0.000 0.928 441 T CA -0.250 61.840 62.100 -0.017 0.000 1.045 441 T CB 0.199 69.054 68.868 -0.022 0.000 0.902 441 T HN 0.430 nan 8.240 nan 0.000 0.500 442 V N 6.428 126.321 119.914 -0.035 0.000 2.339 442 V HA 0.199 4.301 4.120 -0.029 0.000 0.261 442 V C 1.050 177.099 176.094 -0.076 0.000 1.058 442 V CA -0.396 61.877 62.300 -0.045 0.000 0.897 442 V CB 0.942 32.744 31.823 -0.036 0.000 1.052 442 V HN 0.932 nan 8.190 nan 0.000 0.480 443 T N 4.792 119.310 114.554 -0.059 0.000 2.775 443 T HA 0.121 4.453 4.350 -0.029 0.000 0.287 443 T C 0.639 175.297 174.700 -0.070 0.000 0.909 443 T CA 0.088 62.149 62.100 -0.066 0.000 1.081 443 T CB 0.469 69.312 68.868 -0.042 0.000 0.891 443 T HN 0.697 nan 8.240 nan 0.000 0.544 444 V N 4.021 123.873 119.914 -0.104 0.000 3.110 444 V HA 0.582 4.685 4.120 -0.029 0.000 0.368 444 V C 0.958 177.031 176.094 -0.035 0.000 1.332 444 V CA 0.129 62.383 62.300 -0.077 0.000 1.287 444 V CB -0.595 31.111 31.823 -0.195 0.000 1.277 444 V HN 0.721 nan 8.190 nan 0.000 0.502 445 G N -0.022 108.759 108.800 -0.033 0.000 2.666 445 G HA2 0.442 4.385 3.960 -0.029 0.000 0.207 445 G HA3 0.442 4.385 3.960 -0.029 0.000 0.207 445 G C 0.596 175.492 174.900 -0.006 0.000 1.481 445 G CA 0.507 45.597 45.100 -0.017 0.000 1.071 445 G HN 0.747 nan 8.290 nan 0.000 0.572 446 S N -0.444 115.252 115.700 -0.006 0.000 4.157 446 S HA -0.365 4.087 4.470 -0.029 0.000 0.521 446 S C 1.546 176.147 174.600 0.001 0.000 1.858 446 S CA 2.468 60.666 58.200 -0.003 0.000 4.242 446 S CB -1.393 61.804 63.200 -0.005 0.000 0.300 446 S HN 0.940 nan 8.310 nan 0.000 0.454 447 D N 1.151 121.553 120.400 0.004 0.000 2.379 447 D HA 0.348 4.970 4.640 -0.029 0.000 0.218 447 D C 0.973 177.282 176.300 0.016 0.000 1.006 447 D CA 1.659 55.664 54.000 0.008 0.000 0.893 447 D CB 0.193 40.996 40.800 0.006 0.000 1.019 447 D HN 1.391 nan 8.370 nan 0.000 0.503 448 G N 0.693 109.505 108.800 0.021 0.000 2.356 448 G HA2 -0.212 3.730 3.960 -0.029 0.000 0.233 448 G HA3 -0.212 3.730 3.960 -0.029 0.000 0.233 448 G C -0.053 174.874 174.900 0.045 0.000 1.105 448 G CA 0.001 45.124 45.100 0.038 0.000 0.861 448 G HN 0.407 nan 8.290 nan 0.000 0.493 449 N N -0.091 118.632 118.700 0.038 0.000 2.536 449 N HA 0.217 4.940 4.740 -0.029 0.000 0.286 449 N C 0.898 176.428 175.510 0.034 0.000 1.577 449 N CA 0.082 53.152 53.050 0.033 0.000 0.883 449 N CB 1.710 40.206 38.487 0.016 0.000 1.390 449 N HN 1.213 nan 8.380 nan 0.000 0.491 450 V N 1.324 121.269 119.914 0.052 0.000 3.597 450 V HA -0.123 3.980 4.120 -0.029 0.000 0.272 450 V C -2.452 173.655 176.094 0.020 0.000 1.171 450 V CA -0.628 61.698 62.300 0.043 0.000 1.229 450 V CB -0.837 31.054 31.823 0.113 0.000 0.726 450 V HN 0.244 nan 8.190 nan 0.000 0.370 451 P HA 0.107 nan 4.420 nan 0.000 0.258 451 P C -0.021 177.276 177.300 -0.005 0.000 1.214 451 P CA 0.571 63.664 63.100 -0.011 0.000 0.872 451 P CB 1.069 32.758 31.700 -0.019 0.000 0.890 452 V N 6.256 126.168 119.914 -0.003 0.000 2.322 452 V HA 0.281 4.383 4.120 -0.029 0.000 0.258 452 V C -2.246 173.855 176.094 0.011 0.000 1.074 452 V CA -2.444 59.865 62.300 0.014 0.000 0.909 452 V CB 0.779 32.622 31.823 0.034 0.000 1.090 452 V HN 0.335 nan 8.190 nan 0.000 0.486 453 P HA 0.314 nan 4.420 nan 0.000 0.234 453 P C -0.362 176.977 177.300 0.065 0.000 1.799 453 P CA -0.198 62.919 63.100 0.029 0.000 1.118 453 P CB 0.423 32.134 31.700 0.019 0.000 1.827 454 M N 1.081 120.751 119.600 0.116 0.000 2.368 454 M HA 0.653 5.115 4.480 -0.029 0.000 0.311 454 M C 0.881 177.261 176.300 0.134 0.000 1.168 454 M CA -0.810 54.580 55.300 0.150 0.000 1.044 454 M CB 1.530 34.275 32.600 0.241 0.000 1.506 454 M HN 0.074 nan 8.290 nan 0.000 0.475 455 A N 0.080 122.955 122.820 0.092 0.000 2.074 455 A HA 0.577 4.880 4.320 -0.029 0.000 0.200 455 A C 1.342 178.948 177.584 0.037 0.000 1.335 455 A CA 0.771 52.847 52.037 0.065 0.000 0.922 455 A CB 0.321 19.349 19.000 0.047 0.000 0.972 455 A HN 1.037 nan 8.150 nan 0.000 0.475 456 G N -2.066 106.748 108.800 0.023 0.000 4.094 456 G HA2 0.442 4.385 3.960 -0.029 0.000 0.177 456 G HA3 0.442 4.385 3.960 -0.029 0.000 0.177 456 G C 0.418 175.316 174.900 -0.004 0.000 1.135 456 G CA 0.581 45.676 45.100 -0.008 0.000 0.922 456 G HN 1.616 nan 8.290 nan 0.000 0.533 457 G N 0.230 109.046 108.800 0.028 0.000 2.864 457 G HA2 0.410 4.352 3.960 -0.029 0.000 0.223 457 G HA3 0.410 4.352 3.960 -0.029 0.000 0.223 457 G C -0.347 174.588 174.900 0.059 0.000 3.561 457 G CA -0.551 44.579 45.100 0.051 0.000 0.548 457 G HN 0.529 nan 8.290 nan 0.000 0.377 458 L N 1.711 122.974 121.223 0.067 0.000 3.267 458 L HA 0.246 4.568 4.340 -0.029 0.000 0.289 458 L C -1.224 175.689 176.870 0.071 0.000 1.260 458 L CA -1.225 53.653 54.840 0.063 0.000 1.034 458 L CB 1.200 43.294 42.059 0.057 0.000 1.413 458 L HN 0.225 nan 8.230 nan 0.000 0.594 459 P HA -0.025 nan 4.420 nan 0.000 0.213 459 P C -0.154 177.211 177.300 0.110 0.000 1.169 459 P CA 0.698 63.865 63.100 0.113 0.000 0.885 459 P CB 0.251 32.022 31.700 0.118 0.000 0.779 460 R N -2.093 118.471 120.500 0.106 0.000 2.073 460 R HA 0.021 4.343 4.340 -0.029 0.000 0.422 460 R C -1.728 174.641 176.300 0.114 0.000 1.156 460 R CA 0.039 56.200 56.100 0.101 0.000 0.701 460 R CB -1.664 28.696 30.300 0.099 0.000 2.352 460 R HN -0.126 nan 8.270 nan 0.000 0.552 461 V N 5.447 125.430 119.914 0.116 0.000 2.540 461 V HA 0.544 4.647 4.120 -0.029 0.000 0.302 461 V C 0.212 176.382 176.094 0.127 0.000 1.035 461 V CA -0.811 61.569 62.300 0.133 0.000 0.873 461 V CB 1.904 33.815 31.823 0.148 0.000 0.992 461 V HN 0.488 nan 8.190 nan 0.000 0.428 462 L N 4.395 125.692 121.223 0.124 0.000 2.353 462 L HA 0.483 4.805 4.340 -0.029 0.000 0.269 462 L C -0.399 176.521 176.870 0.083 0.000 1.085 462 L CA -0.354 54.548 54.840 0.103 0.000 0.938 462 L CB -0.393 41.727 42.059 0.101 0.000 1.312 462 L HN 0.549 nan 8.230 nan 0.000 0.429 463 Y N 4.552 124.898 120.300 0.075 0.000 2.544 463 Y HA 0.146 4.682 4.550 -0.024 0.000 0.330 463 Y C -1.734 174.206 175.900 0.066 0.000 1.136 463 Y CA -1.658 56.488 58.100 0.076 0.000 1.417 463 Y CB 0.965 39.450 38.460 0.042 0.000 1.229 463 Y HN 0.356 nan 8.280 nan 0.000 0.532 464 P HA -0.026 nan 4.420 nan 0.000 0.271 464 P C 0.080 177.369 177.300 -0.019 0.000 1.226 464 P CA 0.057 63.085 63.100 -0.120 0.000 0.765 464 P CB 1.285 32.977 31.700 -0.014 0.000 0.835 465 T N 1.660 116.203 114.554 -0.018 0.000 3.163 465 T HA -0.064 4.268 4.350 -0.029 0.000 0.260 465 T C 1.155 175.874 174.700 0.033 0.000 1.156 465 T CA 1.092 63.208 62.100 0.026 0.000 1.072 465 T CB -0.398 68.460 68.868 -0.016 0.000 0.937 465 T HN 0.660 nan 8.240 nan 0.000 0.528 466 E N -0.456 119.765 120.200 0.035 0.000 2.431 466 E HA 0.129 4.461 4.350 -0.029 0.000 0.200 466 E C 1.309 177.947 176.600 0.063 0.000 0.995 466 E CA 0.209 56.630 56.400 0.034 0.000 0.915 466 E CB 0.179 29.887 29.700 0.013 0.000 0.930 466 E HN -0.019 nan 8.360 nan 0.000 0.496 467 K N 0.489 120.950 120.400 0.103 0.000 2.681 467 K HA 0.345 4.647 4.320 -0.029 0.000 0.211 467 K C 0.015 176.759 176.600 0.239 0.000 1.075 467 K CA 0.024 56.397 56.287 0.143 0.000 1.141 467 K CB 0.430 33.010 32.500 0.134 0.000 0.896 467 K HN 0.173 nan 8.250 nan 0.000 0.470 468 L N -1.418 119.919 121.223 0.190 0.000 3.016 468 L HA 0.393 4.715 4.340 -0.029 0.000 0.267 468 L C 1.000 177.919 176.870 0.081 0.000 1.182 468 L CA 0.017 54.954 54.840 0.162 0.000 0.997 468 L CB -0.023 42.066 42.059 0.049 0.000 1.354 468 L HN 0.168 nan 8.230 nan 0.000 0.569 469 A N 1.272 124.150 122.820 0.096 0.000 5.328 469 A HA -0.343 3.960 4.320 -0.029 0.000 0.346 469 A C 1.477 179.068 177.584 0.013 0.000 1.675 469 A CA 1.698 53.768 52.037 0.054 0.000 0.717 469 A CB -1.738 17.306 19.000 0.074 0.000 1.467 469 A HN 0.499 nan 8.150 nan 0.000 0.409 470 G N -1.007 107.794 108.800 0.001 0.000 3.605 470 G HA2 0.486 4.429 3.960 -0.029 0.000 0.277 470 G HA3 0.486 4.429 3.960 -0.029 0.000 0.277 470 G C 0.505 175.377 174.900 -0.046 0.000 1.093 470 G CA 1.639 46.726 45.100 -0.021 0.000 0.821 470 G HN 1.591 nan 8.290 nan 0.000 0.532 471 S N -0.221 115.432 115.700 -0.080 0.000 2.546 471 S HA 0.425 4.878 4.470 -0.029 0.000 0.265 471 S C 1.265 175.767 174.600 -0.164 0.000 1.190 471 S CA -0.218 57.905 58.200 -0.128 0.000 1.014 471 S CB 1.232 64.325 63.200 -0.178 0.000 1.087 471 S HN 0.195 nan 8.310 nan 0.000 0.525 472 K N -0.560 119.721 120.400 -0.198 0.000 2.822 472 K HA 0.356 4.658 4.320 -0.029 0.000 0.237 472 K C 0.799 177.246 176.600 -0.256 0.000 1.128 472 K CA 0.706 56.882 56.287 -0.185 0.000 1.317 472 K CB -0.484 31.925 32.500 -0.153 0.000 1.759 472 K HN 0.644 nan 8.250 nan 0.000 0.520 473 I N -2.233 118.170 120.570 -0.277 0.000 3.408 473 I HA -0.476 3.676 4.170 -0.029 0.000 0.237 473 I C 1.212 177.233 176.117 -0.159 0.000 2.474 473 I CA 1.288 62.418 61.300 -0.284 0.000 0.821 473 I CB -1.114 36.655 38.000 -0.386 0.000 1.978 473 I HN 0.644 nan 8.210 nan 0.000 0.537 474 c N -0.653 117.875 118.600 -0.120 0.000 3.293 474 c HA 0.535 5.087 4.570 -0.029 0.000 0.172 474 c C 1.563 175.621 174.090 -0.053 0.000 2.421 474 c CA 0.817 57.106 56.329 -0.067 0.000 1.097 474 c CB 0.993 43.476 42.510 -0.044 0.000 1.442 474 c HN 0.636 nan 8.230 nan 0.000 0.708 475 S N 0.001 115.674 115.700 -0.046 0.000 2.617 475 S HA 0.194 4.647 4.470 -0.029 0.000 0.237 475 S C 0.122 174.700 174.600 -0.037 0.000 1.142 475 S CA 0.291 58.470 58.200 -0.035 0.000 1.167 475 S CB -0.107 63.078 63.200 -0.024 0.000 1.068 475 S HN 0.662 nan 8.310 nan 0.000 0.470 476 D N 1.410 121.781 120.400 -0.048 0.000 2.197 476 D HA 0.139 4.761 4.640 -0.029 0.000 0.212 476 D C 0.244 176.521 176.300 -0.038 0.000 0.963 476 D CA 1.212 55.185 54.000 -0.046 0.000 0.864 476 D CB 0.158 40.920 40.800 -0.063 0.000 1.009 476 D HN 0.359 nan 8.370 nan 0.000 0.479 477 S N -1.149 114.526 115.700 -0.041 0.000 3.898 477 S HA -0.001 4.451 4.470 -0.029 0.000 0.688 477 S C -0.674 173.905 174.600 -0.034 0.000 0.563 477 S CA 0.579 58.759 58.200 -0.033 0.000 1.414 477 S CB -1.837 61.347 63.200 -0.026 0.000 0.798 477 S HN 0.820 nan 8.310 nan 0.000 0.944 478 S N 0.000 115.677 115.700 -0.038 0.000 2.498 478 S HA 0.000 4.452 4.470 -0.029 0.000 0.327 478 S CA 0.000 58.178 58.200 -0.037 0.000 1.107 478 S CB 0.000 63.175 63.200 -0.042 0.000 0.593 478 S HN 0.000 nan 8.310 nan 0.000 0.517