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_C 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 -2.457 112.377 114.554 0.467 0.000 3.034 2 T HA 0.314 4.663 4.350 -0.003 0.000 0.329 2 T C -2.314 172.584 174.700 0.330 0.000 1.789 2 T CA 0.016 62.349 62.100 0.388 0.000 1.020 2 T CB -0.412 68.585 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 2.849 66.004 63.100 0.092 0.000 0.915 3 P CB -0.570 31.200 31.700 0.116 0.000 0.784 4 A N -1.442 121.388 122.820 0.016 0.000 2.132 4 A HA -0.040 4.278 4.320 -0.003 0.000 0.213 4 A C 1.927 179.483 177.584 -0.045 0.000 1.154 4 A CA 1.002 53.032 52.037 -0.011 0.000 0.753 4 A CB -0.321 18.683 19.000 0.007 0.000 0.826 4 A HN 0.131 nan 8.150 nan 0.000 0.469 5 D N -0.839 119.517 120.400 -0.075 0.000 2.165 5 D HA -0.121 4.517 4.640 -0.003 0.000 0.213 5 D C 1.563 177.703 176.300 -0.266 0.000 0.983 5 D CA 0.674 54.578 54.000 -0.161 0.000 0.881 5 D CB -0.681 40.001 40.800 -0.197 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 4.282 4.660 -0.004 0.000 0.355 6 W C 2.685 178.920 176.519 -0.474 0.000 1.501 6 W CA 2.256 59.179 57.345 -0.704 0.000 1.448 6 W CB -0.705 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 -0.573 119.856 120.500 -0.119 0.000 2.386 7 R HA -0.357 3.981 4.340 -0.003 0.000 0.252 7 R C 1.951 178.246 176.300 -0.008 0.000 1.058 7 R CA 3.026 59.088 56.100 -0.063 0.000 0.938 7 R CB -0.988 29.279 30.300 -0.056 0.000 0.931 7 R HN 0.307 nan 8.270 nan 0.000 0.455 8 S N -0.626 115.073 115.700 -0.001 0.000 2.425 8 S HA -0.067 4.401 4.470 -0.003 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 0.059 0.000 0.951 8 S CB 0.066 63.291 63.200 0.041 0.000 0.796 8 S HN 0.314 nan 8.310 nan 0.000 0.498 9 Q N 2.285 122.098 119.800 0.022 0.000 2.271 9 Q HA 0.250 4.588 4.340 -0.003 0.000 0.273 9 Q C -0.379 175.712 176.000 0.152 0.000 1.051 9 Q CA 0.028 55.861 55.803 0.050 0.000 0.901 9 Q CB 0.449 29.159 28.738 -0.046 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 0.311 4.779 4.470 -0.003 0.000 0.279 10 S C -0.339 174.461 174.600 0.334 0.000 1.321 10 S CA -0.539 57.858 58.200 0.329 0.000 1.054 10 S CB 0.222 63.681 63.200 0.431 0.000 0.899 10 S HN 0.473 nan 8.310 nan 0.000 0.497 11 I N 4.608 125.303 120.570 0.208 0.000 2.385 11 I HA 0.340 4.508 4.170 -0.003 0.000 0.294 11 I C -0.692 175.485 176.117 0.099 0.000 0.988 11 I CA -0.585 60.809 61.300 0.156 0.000 1.265 11 I CB 0.872 38.911 38.000 0.065 0.000 1.388 11 I HN 0.536 nan 8.210 nan 0.000 0.480 12 Y N 7.228 127.615 120.300 0.145 0.000 2.332 12 Y HA 0.494 5.042 4.550 -0.003 0.000 0.326 12 Y C -1.397 174.674 175.900 0.285 0.000 0.978 12 Y CA -1.485 56.673 58.100 0.097 0.000 1.205 12 Y CB 0.986 39.539 38.460 0.155 0.000 1.131 12 Y HN 0.427 nan 8.280 nan 0.000 0.462 13 F N 7.733 127.770 119.950 0.145 0.000 2.411 13 F HA 0.673 5.199 4.527 -0.002 0.000 0.350 13 F C -1.263 174.448 175.800 -0.148 0.000 1.114 13 F CA -1.383 56.658 58.000 0.070 0.000 1.135 13 F CB 0.399 39.350 39.000 -0.082 0.000 1.120 13 F HN 0.464 nan 8.300 nan 0.000 0.495 14 L N 5.095 126.516 121.223 0.329 0.000 2.303 14 L HA 0.549 4.888 4.340 -0.003 0.000 0.256 14 L C -0.358 176.541 176.870 0.048 0.000 1.034 14 L CA -0.952 53.857 54.840 -0.052 0.000 0.832 14 L CB 1.511 43.390 42.059 -0.301 0.000 1.403 14 L HN 0.516 nan 8.230 nan 0.000 0.419 15 L N -0.457 120.760 121.223 -0.009 0.000 2.276 15 L HA 0.260 4.598 4.340 -0.003 0.000 0.194 15 L C 1.227 178.166 176.870 0.115 0.000 1.099 15 L CA 1.878 56.756 54.840 0.063 0.000 0.800 15 L CB 0.163 42.233 42.059 0.020 0.000 0.994 15 L HN 1.189 nan 8.230 nan 0.000 0.475 16 T N -6.496 108.133 114.554 0.124 0.000 13.165 16 T HA -0.263 4.086 4.350 -0.003 0.000 0.398 16 T C 1.090 175.826 174.700 0.061 0.000 1.597 16 T CA 0.134 62.303 62.100 0.115 0.000 2.630 16 T CB -1.379 67.445 68.868 -0.074 0.000 2.521 16 T HN 0.031 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 4.540 4.640 -0.003 0.000 0.189 17 D C 1.180 177.507 176.300 0.044 0.000 1.010 17 D CA 1.960 55.887 54.000 -0.122 0.000 0.862 17 D CB -0.249 40.407 40.800 -0.239 0.000 0.943 17 D HN 0.563 nan 8.370 nan 0.000 0.451 18 R N -1.005 119.560 120.500 0.108 0.000 2.308 18 R HA 0.339 4.678 4.340 -0.003 0.000 0.325 18 R C -0.334 176.201 176.300 0.392 0.000 1.161 18 R CA -0.021 56.251 56.100 0.286 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 0.303 120.508 119.950 0.424 0.000 1.961 19 F HA -0.161 4.365 4.527 -0.003 0.000 0.505 19 F C -0.545 175.344 175.800 0.149 0.000 1.299 19 F CA 0.490 58.676 58.000 0.309 0.000 1.114 19 F CB -1.017 38.110 39.000 0.212 0.000 2.152 19 F HN 0.408 nan 8.300 nan 0.000 0.135 20 A N 1.455 124.392 122.820 0.195 0.000 2.498 20 A HA 0.600 4.919 4.320 -0.003 0.000 0.239 20 A C 0.266 177.738 177.584 -0.187 0.000 1.068 20 A CA 1.206 53.282 52.037 0.066 0.000 0.766 20 A CB 0.164 19.286 19.000 0.203 0.000 1.003 20 A HN 0.568 nan 8.150 nan 0.000 0.497 21 R N 1.502 121.880 120.500 -0.204 0.000 2.221 21 R HA -0.036 4.302 4.340 -0.003 0.000 0.205 21 R C 0.533 176.707 176.300 -0.210 0.000 0.865 21 R CA 0.468 56.371 56.100 -0.328 0.000 0.749 21 R CB -1.098 28.725 30.300 -0.795 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 -0.090 0.000 2.774 22 T HA -0.226 4.123 4.350 -0.003 0.000 0.264 22 T C 1.089 175.760 174.700 -0.048 0.000 1.037 22 T CA 2.005 64.079 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 4.678 4.640 -0.003 0.000 0.216 23 D C 1.961 178.240 176.300 -0.036 0.000 0.968 23 D CA 0.998 54.962 54.000 -0.060 0.000 0.899 23 D CB -0.691 40.064 40.800 -0.075 0.000 0.907 23 D HN 0.561 nan 8.370 nan 0.000 0.514 24 G N 1.006 109.772 108.800 -0.057 0.000 5.260 24 G HA2 -0.445 3.514 3.960 -0.003 0.000 0.276 24 G HA3 -0.445 3.514 3.960 -0.003 0.000 0.276 24 G C 0.764 175.715 174.900 0.085 0.000 1.357 24 G CA 1.089 46.223 45.100 0.057 0.000 1.008 24 G HN 0.409 nan 8.290 nan 0.000 0.777 25 S N -0.089 115.716 115.700 0.175 0.000 3.635 25 S HA -0.280 4.189 4.470 -0.003 0.000 0.328 25 S C 1.996 176.932 174.600 0.561 0.000 1.135 25 S CA 2.044 60.460 58.200 0.360 0.000 0.942 25 S CB -2.023 61.371 63.200 0.323 0.000 0.930 25 S HN 2.367 nan 8.310 nan 0.000 0.512 26 T N -1.756 112.990 114.554 0.321 0.000 2.731 26 T HA -0.307 4.041 4.350 -0.003 0.000 0.263 26 T C 1.389 176.076 174.700 -0.021 0.000 1.033 26 T CA 2.334 64.486 62.100 0.087 0.000 1.160 26 T CB -0.962 67.945 68.868 0.064 0.000 0.849 26 T HN 0.635 nan 8.240 nan 0.000 0.469 27 T N 1.224 115.803 114.554 0.042 0.000 3.145 27 T HA 0.606 4.955 4.350 -0.003 0.000 0.255 27 T C 0.758 175.475 174.700 0.027 0.000 1.039 27 T CA 0.071 62.173 62.100 0.005 0.000 0.928 27 T CB -0.063 68.816 68.868 0.019 0.000 1.029 27 T HN 0.730 nan 8.240 nan 0.000 0.554 28 A N 2.422 125.310 122.820 0.112 0.000 2.505 28 A HA 0.346 4.664 4.320 -0.003 0.000 0.271 28 A C 0.830 178.453 177.584 0.066 0.000 1.112 28 A CA -0.159 51.986 52.037 0.180 0.000 0.781 28 A CB -0.597 18.733 19.000 0.551 0.000 1.059 28 A HN 0.318 nan 8.150 nan 0.000 0.508 29 T N 1.619 116.194 114.554 0.035 0.000 2.765 29 T HA 0.149 4.497 4.350 -0.003 0.000 0.275 29 T C 0.206 174.899 174.700 -0.012 0.000 1.007 29 T CA 1.313 63.410 62.100 -0.005 0.000 1.175 29 T CB -0.358 68.511 68.868 0.002 0.000 0.993 29 T HN 1.386 nan 8.240 nan 0.000 0.510 30 c N 6.008 124.567 118.600 -0.067 0.000 2.181 30 c HA 0.107 4.676 4.570 -0.003 0.000 0.400 30 c C -0.023 173.970 174.090 -0.161 0.000 0.657 30 c CA -1.042 55.222 56.329 -0.108 0.000 0.818 30 c CB -1.205 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 1.518 120.132 118.700 -0.143 0.000 3.271 31 N HA 0.115 4.853 4.740 -0.003 0.000 0.303 31 N C 1.213 176.638 175.510 -0.142 0.000 1.415 31 N CA 0.683 53.650 53.050 -0.138 0.000 1.159 31 N CB 0.457 38.884 38.487 -0.099 0.000 1.432 31 N HN 0.874 nan 8.380 nan 0.000 0.521 32 T N -0.665 113.782 114.554 -0.179 0.000 3.054 32 T HA -0.483 3.865 4.350 -0.003 0.000 0.203 32 T C 1.809 176.458 174.700 -0.085 0.000 1.452 32 T CA 3.136 65.144 62.100 -0.154 0.000 1.052 32 T CB -1.606 67.201 68.868 -0.102 0.000 0.890 32 T HN 0.643 nan 8.240 nan 0.000 0.529 33 A N 2.201 124.984 122.820 -0.062 0.000 2.027 33 A HA -0.376 3.942 4.320 -0.003 0.000 0.238 33 A C 1.891 179.451 177.584 -0.040 0.000 1.809 33 A CA 3.010 55.019 52.037 -0.046 0.000 0.738 33 A CB -1.153 17.815 19.000 -0.052 0.000 0.832 33 A HN 0.808 nan 8.150 nan 0.000 0.554 34 D N -1.782 118.583 120.400 -0.058 0.000 2.469 34 D HA 0.209 4.847 4.640 -0.003 0.000 0.213 34 D C 0.984 177.247 176.300 -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 0.592 120.319 119.800 -0.121 0.000 1.795 35 Q HA -0.350 3.989 4.340 -0.003 0.000 0.404 35 Q C -0.464 175.376 176.000 -0.266 0.000 0.847 35 Q CA 1.058 56.722 55.803 -0.231 0.000 0.799 35 Q CB -1.311 27.521 28.738 0.156 0.000 3.822 35 Q HN 0.241 nan 8.270 nan 0.000 0.742 36 K N -1.157 119.188 120.400 -0.093 0.000 7.329 36 K HA -0.172 4.146 4.320 -0.003 0.000 0.591 36 K C -1.083 175.475 176.600 -0.070 0.000 2.583 36 K CA 0.662 56.952 56.287 0.006 0.000 2.016 36 K CB -0.939 31.578 32.500 0.029 0.000 2.225 36 K HN 0.420 nan 8.250 nan 0.000 0.215 37 Y N 0.325 120.593 120.300 -0.052 0.000 2.802 37 Y HA -0.092 4.456 4.550 -0.003 0.000 0.333 37 Y C 1.297 177.136 175.900 -0.101 0.000 1.244 37 Y CA 0.137 58.182 58.100 -0.093 0.000 1.558 37 Y CB 0.294 38.706 38.460 -0.080 0.000 1.233 37 Y HN 0.493 nan 8.280 nan 0.000 0.547 38 c N 4.194 122.788 118.600 -0.009 0.000 2.534 38 c HA 0.255 4.824 4.570 -0.003 0.000 0.435 38 c C 1.316 175.423 174.090 0.029 0.000 1.329 38 c CA -0.790 55.547 56.329 0.014 0.000 1.675 38 c CB -1.560 40.969 42.510 0.031 0.000 2.384 38 c HN 1.189 nan 8.230 nan 0.000 0.605 39 G N 1.588 110.401 108.800 0.023 0.000 2.232 39 G HA2 0.100 4.058 3.960 -0.003 0.000 0.240 39 G HA3 0.100 4.058 3.960 -0.003 0.000 0.240 39 G C 0.587 175.452 174.900 -0.058 0.000 0.424 39 G CA 0.645 45.739 45.100 -0.009 0.000 1.047 39 G HN 0.993 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 4.444 3.960 -0.003 0.000 0.276 40 G HA3 0.485 4.444 3.960 -0.003 0.000 0.276 40 G C 0.237 175.097 174.900 -0.066 0.000 1.248 40 G CA 0.056 45.067 45.100 -0.148 0.000 0.858 40 G HN 0.652 nan 8.290 nan 0.000 0.549 41 T N 1.686 116.242 114.554 0.002 0.000 2.596 41 T HA -0.182 4.166 4.350 -0.003 0.000 0.252 41 T C 1.276 176.117 174.700 0.236 0.000 1.033 41 T CA -0.002 62.175 62.100 0.128 0.000 1.215 41 T CB 0.631 69.562 68.868 0.105 0.000 1.011 41 T HN 0.483 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 -0.275 4.384 4.660 -0.001 0.000 0.325 42 W C 2.156 178.749 176.519 0.124 0.000 1.296 42 W CA 1.603 59.074 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 -0.895 119.094 119.800 0.316 0.000 2.268 43 Q HA -0.229 4.110 4.340 -0.003 0.000 0.213 43 Q C 2.245 178.327 176.000 0.136 0.000 0.995 43 Q CA 2.152 58.062 55.803 0.179 0.000 0.901 43 Q CB -1.252 27.567 28.738 0.134 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 -0.293 3.666 3.960 -0.003 0.000 0.224 44 G HA3 -0.293 3.666 3.960 -0.003 0.000 0.224 44 G C 1.427 176.383 174.900 0.092 0.000 1.088 44 G CA 1.183 46.330 45.100 0.080 0.000 0.734 44 G HN 0.421 nan 8.290 nan 0.000 0.616 45 I N 0.380 121.035 120.570 0.142 0.000 2.236 45 I HA -0.235 3.933 4.170 -0.003 0.000 0.249 45 I C 2.552 178.717 176.117 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 3.952 4.170 -0.003 0.000 0.255 46 I C 1.645 177.778 176.117 0.027 0.000 1.163 46 I CA 1.101 62.427 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 0.185 nan 8.210 nan 0.000 0.434 47 D N 0.234 120.647 120.400 0.021 0.000 2.240 47 D HA 0.006 4.645 4.640 -0.003 0.000 0.206 47 D C 1.359 177.644 176.300 -0.025 0.000 0.963 47 D CA 0.840 54.840 54.000 -0.000 0.000 0.863 47 D CB 0.211 41.011 40.800 0.000 0.000 0.973 47 D HN 0.046 nan 8.370 nan 0.000 0.501 48 K N -0.536 119.860 120.400 -0.006 0.000 2.842 48 K HA 0.361 4.679 4.320 -0.003 0.000 0.310 48 K C 0.567 177.188 176.600 0.034 0.000 0.992 48 K CA -0.679 55.601 56.287 -0.011 0.000 1.207 48 K CB 0.082 32.595 32.500 0.023 0.000 1.478 48 K HN -0.199 nan 8.250 nan 0.000 0.601 49 L N -0.442 120.832 121.223 0.085 0.000 5.134 49 L HA -0.313 4.025 4.340 -0.003 0.000 0.407 49 L C 0.814 177.740 176.870 0.092 0.000 0.869 49 L CA 1.839 56.728 54.840 0.082 0.000 1.827 49 L CB -1.555 40.537 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 0.083 0.000 2.310 50 D HA -0.110 4.528 4.640 -0.003 0.000 0.212 50 D C 1.836 178.244 176.300 0.180 0.000 0.965 50 D CA 0.911 54.966 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 0.886 121.245 120.300 0.098 0.000 2.145 51 Y HA -0.170 4.378 4.550 -0.003 0.000 0.286 51 Y C 2.055 178.061 175.900 0.177 0.000 1.145 51 Y CA 1.582 59.814 58.100 0.219 0.000 1.148 51 Y CB -0.071 38.548 38.460 0.266 0.000 0.981 51 Y HN 0.063 nan 8.280 nan 0.000 0.507 52 I N -1.795 118.885 120.570 0.185 0.000 2.193 52 I HA -0.241 3.927 4.170 -0.003 0.000 0.240 52 I C 2.147 178.331 176.117 0.112 0.000 1.084 52 I CA 1.420 62.826 61.300 0.177 0.000 1.365 52 I CB -1.033 36.971 38.000 0.008 0.000 1.064 52 I HN 0.183 nan 8.210 nan 0.000 0.410 53 Q N 1.596 121.428 119.800 0.054 0.000 2.077 53 Q HA -0.175 4.164 4.340 -0.003 0.000 0.206 53 Q C 2.408 178.381 176.000 -0.045 0.000 0.989 53 Q CA 2.054 57.863 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 0.197 108.979 108.800 -0.030 0.000 2.475 54 G HA2 -0.259 3.699 3.960 -0.003 0.000 0.220 54 G HA3 -0.259 3.699 3.960 -0.003 0.000 0.220 54 G C 1.227 176.021 174.900 -0.177 0.000 1.125 54 G CA 0.871 45.964 45.100 -0.011 0.000 0.755 54 G HN 0.164 nan 8.290 nan 0.000 0.565 55 M N -0.315 119.075 119.600 -0.351 0.000 2.288 55 M HA 0.243 4.721 4.480 -0.003 0.000 0.266 55 M C 2.280 178.144 176.300 -0.727 0.000 1.072 55 M CA 0.760 55.726 55.300 -0.557 0.000 1.132 55 M CB -0.468 31.843 32.600 -0.482 0.000 1.386 55 M HN 0.470 nan 8.290 nan 0.000 0.432 56 G N -1.255 107.237 108.800 -0.513 0.000 2.339 56 G HA2 -0.199 3.759 3.960 -0.003 0.000 0.209 56 G HA3 -0.199 3.759 3.960 -0.003 0.000 0.209 56 G C 0.117 174.877 174.900 -0.234 0.000 1.015 56 G CA -0.211 44.662 45.100 -0.380 0.000 0.635 56 G HN 0.354 nan 8.290 nan 0.000 0.499 57 F N 2.395 122.389 119.950 0.075 0.000 2.623 57 F HA 0.435 4.960 4.527 -0.003 0.000 0.383 57 F C 1.559 177.427 175.800 0.113 0.000 1.077 57 F CA 0.990 59.063 58.000 0.123 0.000 1.268 57 F CB 0.230 39.351 39.000 0.203 0.000 1.053 57 F HN -0.065 nan 8.300 nan 0.000 0.571 58 T N 1.102 115.811 114.554 0.258 0.000 3.069 58 T HA 0.470 4.818 4.350 -0.003 0.000 0.252 58 T C 0.487 175.306 174.700 0.199 0.000 1.053 58 T CA 0.291 62.492 62.100 0.168 0.000 0.964 58 T CB 0.027 68.946 68.868 0.085 0.000 1.005 58 T HN 0.708 nan 8.240 nan 0.000 0.532 59 A N 1.051 124.039 122.820 0.281 0.000 2.355 59 A HA 0.785 5.103 4.320 -0.003 0.000 0.324 59 A C -0.646 177.138 177.584 0.332 0.000 1.117 59 A CA -0.728 51.506 52.037 0.329 0.000 0.785 59 A CB 0.834 20.070 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 4.300 4.170 -0.003 0.000 0.290 60 I C -1.024 175.302 176.117 0.348 0.000 1.109 60 I CA 0.140 61.608 61.300 0.279 0.000 1.229 60 I CB 0.352 38.463 38.000 0.185 0.000 1.452 60 I HN 0.680 nan 8.210 nan 0.000 0.497 61 W N 9.943 131.318 121.300 0.126 0.000 2.283 61 W HA 0.603 5.261 4.660 -0.003 0.000 0.317 61 W C -0.619 175.899 176.519 -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 -0.173 0.000 1.216 61 W HN 0.316 nan 8.180 nan 0.000 0.404 62 I N 3.417 124.080 120.570 0.156 0.000 3.145 62 I HA 0.671 4.839 4.170 -0.003 0.000 0.313 62 I C 0.775 176.942 176.117 0.082 0.000 1.122 62 I CA -0.842 60.517 61.300 0.099 0.000 0.987 62 I CB 1.590 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 0.941 115.597 114.554 0.170 0.000 2.515 63 T HA 0.050 4.398 4.350 -0.003 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 0.216 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 0.306 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 -1.332 118.765 119.914 0.305 0.000 2.697 65 V HA 0.504 4.622 4.120 -0.003 0.000 0.300 65 V C -0.550 175.731 176.094 0.312 0.000 1.115 65 V CA 0.361 62.848 62.300 0.312 0.000 0.912 65 V CB 1.301 33.175 31.823 0.086 0.000 1.024 65 V HN 0.917 nan 8.190 nan 0.000 0.431 66 T N 4.613 119.384 114.554 0.362 0.000 3.471 66 T HA 0.412 4.761 4.350 -0.003 0.000 0.081 66 T C 0.396 175.279 174.700 0.306 0.000 0.367 66 T CA 0.635 62.915 62.100 0.299 0.000 0.565 66 T CB -0.539 68.508 68.868 0.298 0.000 0.537 66 T HN 2.010 nan 8.240 nan 0.000 0.177 67 A N 0.666 123.669 122.820 0.304 0.000 2.393 67 A HA 0.277 4.596 4.320 -0.003 0.000 0.220 67 A C 0.983 178.696 177.584 0.215 0.000 2.881 67 A CA 0.868 53.051 52.037 0.243 0.000 1.592 67 A CB -1.156 17.947 19.000 0.172 0.000 0.194 67 A HN 0.651 nan 8.150 nan 0.000 0.569 68 Q N 0.325 120.275 119.800 0.250 0.000 2.624 68 Q HA -0.178 4.160 4.340 -0.003 0.000 0.489 68 Q C 0.539 176.599 176.000 0.101 0.000 0.568 68 Q CA 1.669 57.582 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 1.192 nan 8.270 nan 0.000 1.086 69 L N -1.429 119.854 121.223 0.099 0.000 2.333 69 L HA 0.724 5.062 4.340 -0.003 0.000 0.269 69 L C -2.462 174.445 176.870 0.062 0.000 1.010 69 L CA -2.390 52.465 54.840 0.024 0.000 0.818 69 L CB 1.752 43.782 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 -1.633 175.683 177.300 0.026 0.000 1.784 70 P CA -0.219 62.899 63.100 0.031 0.000 1.198 70 P CB 0.772 32.473 31.700 0.002 0.000 1.654 71 Q N 0.907 120.738 119.800 0.052 0.000 4.218 71 Q HA 0.080 4.418 4.340 -0.003 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 27.846 28.738 0.004 0.000 1.548 71 Q HN 0.043 nan 8.270 nan 0.000 0.439 72 D N 1.795 122.254 120.400 0.098 0.000 5.453 72 D HA -0.149 4.489 4.640 -0.003 0.000 0.184 72 D C 0.810 177.177 176.300 0.111 0.000 1.232 72 D CA 1.207 55.278 54.000 0.118 0.000 0.735 72 D CB -1.064 39.793 40.800 0.095 0.000 1.253 72 D HN 0.683 nan 8.370 nan 0.000 0.654 73 C N -1.201 118.180 119.300 0.134 0.000 2.592 73 C HA 0.416 4.875 4.460 -0.003 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 -0.319 27.520 27.740 0.166 0.000 2.487 73 C HN 0.638 nan 8.230 nan 0.000 0.610 74 A N 3.491 126.373 122.820 0.104 0.000 1.698 74 A HA -0.346 3.972 4.320 -0.003 0.000 0.304 74 A C 1.634 179.223 177.584 0.009 0.000 3.354 74 A CA 2.911 54.964 52.037 0.027 0.000 0.884 74 A CB -1.958 17.016 19.000 -0.043 0.000 0.798 74 A HN 1.157 nan 8.150 nan 0.000 0.543 75 Y N -0.901 119.431 120.300 0.054 0.000 2.185 75 Y HA -0.145 4.403 4.550 -0.002 0.000 0.268 75 Y C 1.801 177.737 175.900 0.060 0.000 1.281 75 Y CA 2.150 60.282 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 1.455 nan 8.280 nan 0.000 0.517 76 G N 1.441 110.380 108.800 0.232 0.000 2.830 76 G HA2 -0.094 3.864 3.960 -0.003 0.000 0.298 76 G HA3 -0.094 3.864 3.960 -0.003 0.000 0.298 76 G C -0.672 174.398 174.900 0.283 0.000 1.031 76 G CA -0.392 44.829 45.100 0.202 0.000 1.179 76 G HN 0.468 nan 8.290 nan 0.000 0.527 77 D N -0.973 119.576 120.400 0.248 0.000 7.980 77 D HA -0.097 4.541 4.640 -0.003 0.000 0.340 77 D C 1.246 177.643 176.300 0.162 0.000 2.772 77 D CA 1.718 55.877 54.000 0.265 0.000 1.761 77 D CB -0.707 40.269 40.800 0.293 0.000 1.180 77 D HN 1.674 nan 8.370 nan 0.000 1.248 78 A N 0.195 123.104 122.820 0.148 0.000 2.503 78 A HA 0.194 4.512 4.320 -0.003 0.000 0.263 78 A C 1.393 178.857 177.584 -0.199 0.000 1.258 78 A CA 0.696 52.713 52.037 -0.033 0.000 0.936 78 A CB -0.512 18.710 19.000 0.370 0.000 1.070 78 A HN 0.575 nan 8.150 nan 0.000 0.522 79 Y N -0.496 119.607 120.300 -0.328 0.000 2.240 79 Y HA -0.380 4.169 4.550 -0.003 0.000 0.278 79 Y C 2.082 177.800 175.900 -0.303 0.000 1.247 79 Y CA 1.927 59.684 58.100 -0.571 0.000 1.183 79 Y CB -1.653 36.491 38.460 -0.526 0.000 0.956 79 Y HN 0.314 nan 8.280 nan 0.000 0.533 80 T N -0.016 114.218 114.554 -0.532 0.000 2.969 80 T HA -0.113 4.235 4.350 -0.003 0.000 0.271 80 T C 1.567 176.231 174.700 -0.060 0.000 1.127 80 T CA 1.150 63.035 62.100 -0.359 0.000 1.102 80 T CB -1.650 66.809 68.868 -0.681 0.000 0.855 80 T HN 1.214 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 3.697 3.960 -0.003 0.000 0.284 81 G HA3 -0.262 3.697 3.960 -0.003 0.000 0.284 81 G C -0.256 174.815 174.900 0.285 0.000 0.899 81 G CA 0.518 45.709 45.100 0.151 0.000 1.204 81 G HN 0.751 nan 8.290 nan 0.000 0.486 82 Y N -0.866 119.435 120.300 0.001 0.000 2.352 82 Y HA 0.601 5.150 4.550 -0.002 0.000 0.339 82 Y C 0.532 176.486 175.900 0.091 0.000 0.992 82 Y CA -1.225 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 0.248 121.706 121.300 0.263 0.000 3.572 83 W HA -0.061 4.597 4.660 -0.003 0.000 0.333 83 W C -1.436 175.217 176.519 0.224 0.000 0.246 83 W CA -1.360 56.119 57.345 0.224 0.000 0.564 83 W CB -0.345 29.220 29.460 0.175 0.000 1.036 83 W HN 0.420 nan 8.180 nan 0.000 0.460 84 Q N -0.066 119.972 119.800 0.396 0.000 4.085 84 Q HA 0.200 4.539 4.340 -0.003 0.000 0.116 84 Q C -0.390 175.758 176.000 0.247 0.000 0.725 84 Q CA 0.449 56.449 55.803 0.327 0.000 0.890 84 Q CB -0.192 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 -0.247 114.400 114.554 0.155 0.000 3.240 85 T HA 0.271 4.619 4.350 -0.003 0.000 0.248 85 T C -0.012 174.728 174.700 0.067 0.000 0.929 85 T CA 0.790 62.899 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 -0.115 120.387 120.400 0.170 0.000 1.520 86 D HA -0.027 4.612 4.640 -0.003 0.000 0.776 86 D C 0.516 176.938 176.300 0.203 0.000 0.570 86 D CA -0.300 53.795 54.000 0.160 0.000 1.290 86 D CB -0.587 40.300 40.800 0.144 0.000 1.181 86 D HN 0.423 nan 8.370 nan 0.000 0.425 87 I N 1.973 122.690 120.570 0.245 0.000 2.731 87 I HA -0.396 3.772 4.170 -0.003 0.000 0.126 87 I C -0.695 175.697 176.117 0.457 0.000 0.882 87 I CA 1.600 63.076 61.300 0.293 0.000 2.786 87 I CB -0.557 37.509 38.000 0.110 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 0.129 0.000 4.228 88 Y HA -0.209 4.340 4.550 -0.003 0.000 0.338 88 Y C 1.233 177.171 175.900 0.064 0.000 0.763 88 Y CA 0.683 58.834 58.100 0.086 0.000 1.281 88 Y CB -1.492 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 -0.100 115.720 115.700 0.200 0.000 2.500 89 S HA 0.495 4.964 4.470 -0.003 0.000 0.174 89 S C -0.147 174.525 174.600 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 4.266 4.340 -0.003 0.000 0.617 90 L C -0.188 176.809 176.870 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 0.592 nan 8.230 nan 0.000 1.069 91 N N 2.282 121.157 118.700 0.292 0.000 2.141 91 N HA -0.120 4.619 4.740 -0.003 0.000 0.205 91 N C 0.670 176.343 175.510 0.271 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 -1.894 118.442 120.200 0.226 0.000 2.552 92 E HA 0.083 4.431 4.350 -0.003 0.000 0.189 92 E C 0.539 177.187 176.600 0.079 0.000 0.970 92 E CA -0.175 56.313 56.400 0.146 0.000 1.571 92 E CB -0.324 29.420 29.700 0.074 0.000 2.223 92 E HN 0.347 nan 8.360 nan 0.000 1.018 93 N N 0.856 119.550 118.700 -0.011 0.000 2.120 93 N HA -0.128 4.611 4.740 -0.003 0.000 0.188 93 N C 1.054 176.554 175.510 -0.018 0.000 1.024 93 N CA 1.389 54.347 53.050 -0.153 0.000 0.852 93 N CB -0.290 37.831 38.487 -0.610 0.000 1.003 93 N HN 0.161 nan 8.380 nan 0.000 0.424 94 Y N -0.036 120.275 120.300 0.018 0.000 2.034 94 Y HA 0.058 4.607 4.550 -0.002 0.000 0.269 94 Y C 1.496 177.480 175.900 0.139 0.000 1.125 94 Y CA 1.408 59.530 58.100 0.037 0.000 1.097 94 Y CB -0.579 37.893 38.460 0.020 0.000 0.978 94 Y HN 0.142 nan 8.280 nan 0.000 0.480 95 G N -0.664 108.370 108.800 0.390 0.000 2.362 95 G HA2 0.337 4.296 3.960 -0.003 0.000 0.189 95 G HA3 0.337 4.296 3.960 -0.003 0.000 0.189 95 G C -0.588 174.447 174.900 0.225 0.000 1.374 95 G CA -0.386 44.859 45.100 0.241 0.000 1.140 95 G HN 0.901 nan 8.290 nan 0.000 0.611 96 T N -0.856 113.809 114.554 0.185 0.000 2.422 96 T HA 0.263 4.612 4.350 -0.003 0.000 0.524 96 T C 1.865 176.647 174.700 0.138 0.000 0.835 96 T CA 1.109 63.293 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 2.479 nan 8.240 nan 0.000 0.524 97 A N 4.185 127.097 122.820 0.153 0.000 2.018 97 A HA -0.343 3.976 4.320 -0.003 0.000 0.250 97 A C 2.002 179.677 177.584 0.153 0.000 2.130 97 A CA 3.099 55.252 52.037 0.194 0.000 0.912 97 A CB -1.649 17.473 19.000 0.203 0.000 0.799 97 A HN 1.408 nan 8.150 nan 0.000 0.504 98 D N -0.546 119.877 120.400 0.040 0.000 2.600 98 D HA -0.292 4.346 4.640 -0.003 0.000 0.194 98 D C 1.364 177.619 176.300 -0.076 0.000 1.040 98 D CA 2.372 56.323 54.000 -0.082 0.000 0.871 98 D CB -0.748 40.026 40.800 -0.043 0.000 0.973 98 D HN 0.517 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 4.429 4.640 -0.003 0.000 0.192 99 D C 2.169 178.468 176.300 -0.001 0.000 1.008 99 D CA 0.710 54.719 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 0.349 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 4.076 4.340 -0.003 0.000 0.212 100 L C 2.219 179.057 176.870 -0.052 0.000 1.071 100 L CA 1.727 56.533 54.840 -0.057 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 -0.399 119.943 120.400 -0.096 0.000 2.103 101 K HA -0.189 4.130 4.320 -0.003 0.000 0.207 101 K C 2.041 178.580 176.600 -0.103 0.000 1.048 101 K CA 1.337 57.532 56.287 -0.153 0.000 0.930 101 K CB -0.370 31.917 32.500 -0.355 0.000 0.716 101 K HN 0.435 nan 8.250 nan 0.000 0.444 102 A N 2.378 125.144 122.820 -0.090 0.000 1.851 102 A HA -0.177 4.142 4.320 -0.003 0.000 0.216 102 A C 2.112 179.688 177.584 -0.012 0.000 1.195 102 A CA 1.271 53.279 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 0.268 121.492 121.223 0.002 0.000 2.021 103 L HA -0.197 4.141 4.340 -0.003 0.000 0.215 103 L C 2.510 179.406 176.870 0.043 0.000 1.074 103 L CA 3.068 57.925 54.840 0.029 0.000 0.760 103 L CB -1.199 40.871 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 4.289 4.470 -0.003 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 1.284 116.997 115.700 0.020 0.000 2.399 105 S HA -0.239 4.229 4.470 -0.003 0.000 0.235 105 S C 1.973 176.595 174.600 0.037 0.000 1.063 105 S CA 1.565 59.750 58.200 -0.024 0.000 1.070 105 S CB -1.040 62.124 63.200 -0.060 0.000 0.904 105 S HN 0.751 nan 8.310 nan 0.000 0.456 106 A N 1.641 124.481 122.820 0.035 0.000 1.827 106 A HA -0.102 4.217 4.320 -0.003 0.000 0.215 106 A C 2.191 179.799 177.584 0.040 0.000 1.212 106 A CA 1.894 53.950 52.037 0.032 0.000 0.624 106 A CB -1.272 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 -1.718 119.531 121.223 0.043 0.000 2.051 107 L HA -0.281 4.058 4.340 -0.003 0.000 0.214 107 L C 2.267 179.130 176.870 -0.012 0.000 1.076 107 L CA 3.073 57.924 54.840 0.018 0.000 0.758 107 L CB -1.265 40.804 42.059 0.017 0.000 0.890 107 L HN 0.522 nan 8.230 nan 0.000 0.433 108 H N -0.100 118.946 119.070 -0.040 0.000 2.426 108 H HA -0.161 4.394 4.556 -0.002 0.000 0.298 108 H C 2.152 177.423 175.328 -0.094 0.000 1.107 108 H CA 2.258 58.257 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 -0.287 119.947 120.200 0.057 0.000 2.021 109 E HA -0.165 4.183 4.350 -0.003 0.000 0.189 109 E C 2.382 178.972 176.600 -0.018 0.000 0.980 109 E CA 0.926 57.330 56.400 0.006 0.000 0.803 109 E CB -0.045 29.660 29.700 0.009 0.000 0.766 109 E HN 0.517 nan 8.360 nan 0.000 0.449 110 R N 0.996 121.489 120.500 -0.013 0.000 2.103 110 R HA -0.077 4.261 4.340 -0.003 0.000 0.242 110 R C 0.670 176.952 176.300 -0.029 0.000 1.142 110 R CA 1.653 57.744 56.100 -0.016 0.000 0.960 110 R CB -0.268 30.031 30.300 -0.003 0.000 0.858 110 R HN 0.167 nan 8.270 nan 0.000 0.439 111 G N -1.335 107.434 108.800 -0.053 0.000 2.347 111 G HA2 0.305 4.264 3.960 -0.003 0.000 0.321 111 G HA3 0.305 4.264 3.960 -0.003 0.000 0.321 111 G C -0.835 174.017 174.900 -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 4.372 4.480 -0.003 0.000 0.111 112 M C -0.749 175.486 176.300 -0.108 0.000 0.480 112 M CA 0.367 55.656 55.300 -0.018 0.000 1.311 112 M CB -0.579 32.040 32.600 0.031 0.000 0.421 112 M HN 1.021 nan 8.290 nan 0.000 0.583 113 Y N -0.485 119.705 120.300 -0.183 0.000 2.693 113 Y HA 0.814 5.363 4.550 -0.003 0.000 0.331 113 Y C -0.806 175.141 175.900 0.079 0.000 1.092 113 Y CA -0.914 57.075 58.100 -0.185 0.000 1.131 113 Y CB 1.320 39.536 38.460 -0.407 0.000 1.318 113 Y HN 0.473 nan 8.280 nan 0.000 0.510 114 L N 3.179 124.686 121.223 0.472 0.000 2.316 114 L HA 0.424 4.763 4.340 -0.003 0.000 0.280 114 L C -1.229 175.876 176.870 0.393 0.000 1.006 114 L CA -0.361 54.709 54.840 0.383 0.000 0.836 114 L CB 1.108 43.361 42.059 0.324 0.000 1.221 114 L HN 0.646 nan 8.230 nan 0.000 0.418 115 M N 4.880 124.649 119.600 0.281 0.000 2.055 115 M HA 0.207 4.686 4.480 -0.003 0.000 0.347 115 M C -0.808 175.579 176.300 0.145 0.000 1.123 115 M CA -0.344 55.025 55.300 0.114 0.000 1.035 115 M CB 1.621 34.215 32.600 -0.009 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 4.290 4.120 -0.003 0.000 0.271 116 V C -0.579 175.556 176.094 0.068 0.000 1.030 116 V CA -0.419 61.924 62.300 0.073 0.000 0.844 116 V CB 1.245 33.080 31.823 0.019 0.000 1.015 116 V HN 0.654 nan 8.190 nan 0.000 0.460 117 D N 5.480 125.949 120.400 0.114 0.000 2.346 117 D HA 0.242 4.880 4.640 -0.003 0.000 0.260 117 D C -0.342 175.943 176.300 -0.025 0.000 1.252 117 D CA 0.407 54.440 54.000 0.054 0.000 0.895 117 D CB 1.167 42.016 40.800 0.082 0.000 1.097 117 D HN 0.329 nan 8.370 nan 0.000 0.489 118 V N 4.446 124.367 119.914 0.011 0.000 2.581 118 V HA 0.221 4.339 4.120 -0.003 0.000 0.303 118 V C 0.836 176.911 176.094 -0.031 0.000 1.041 118 V CA -0.814 61.539 62.300 0.088 0.000 0.907 118 V CB 1.953 33.944 31.823 0.280 0.000 0.994 118 V HN 0.383 nan 8.190 nan 0.000 0.442 119 V N 4.491 124.376 119.914 -0.048 0.000 3.099 119 V HA 0.251 4.370 4.120 -0.003 0.000 0.356 119 V C 1.813 177.696 176.094 -0.351 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 1.140 123.717 122.820 -0.405 0.000 1.885 120 A HA -0.498 3.820 4.320 -0.003 0.000 0.260 120 A C 1.892 178.858 177.584 -1.029 0.000 2.398 120 A CA 3.235 54.606 52.037 -1.110 0.000 0.786 120 A CB -1.585 16.814 19.000 -1.002 0.000 0.834 120 A HN 0.814 nan 8.150 nan 0.000 0.548 121 N N -0.344 117.948 118.700 -0.681 0.000 2.023 121 N HA -0.218 4.521 4.740 -0.003 0.000 0.200 121 N C 0.557 175.977 175.510 -0.150 0.000 1.048 121 N CA 1.847 54.647 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 -1.281 117.728 119.070 -0.102 0.000 2.562 122 H HA 0.278 4.833 4.556 -0.002 0.000 0.314 122 H C 0.150 175.523 175.328 0.075 0.000 1.079 122 H CA -0.765 55.251 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 2.967 122.681 119.600 0.190 0.000 2.530 123 M HA 0.176 4.655 4.480 -0.003 0.000 0.231 123 M C 0.599 177.006 176.300 0.179 0.000 1.180 123 M CA 0.187 55.695 55.300 0.348 0.000 0.985 123 M CB -0.639 32.228 32.600 0.446 0.000 1.623 123 M HN 1.173 nan 8.290 nan 0.000 0.475 124 G N 2.280 111.030 108.800 -0.083 0.000 2.381 124 G HA2 -0.290 3.668 3.960 -0.003 0.000 0.206 124 G HA3 -0.290 3.668 3.960 -0.003 0.000 0.206 124 G C -0.868 173.688 174.900 -0.573 0.000 0.274 124 G CA 0.202 44.922 45.100 -0.634 0.000 1.035 124 G HN 0.679 nan 8.290 nan 0.000 0.449 125 Y N 2.030 122.032 120.300 -0.497 0.000 2.331 125 Y HA 0.493 5.041 4.550 -0.003 0.000 0.334 125 Y C 0.207 175.946 175.900 -0.269 0.000 0.960 125 Y CA -1.432 56.438 58.100 -0.383 0.000 1.130 125 Y CB 1.600 39.881 38.460 -0.298 0.000 1.164 125 Y HN 0.485 nan 8.280 nan 0.000 0.458 126 D N 4.261 124.124 120.400 -0.896 0.000 2.412 126 D HA 0.438 5.077 4.640 -0.003 0.000 0.257 126 D C 0.239 176.042 176.300 -0.828 0.000 1.217 126 D CA 2.481 56.088 54.000 -0.654 0.000 0.897 126 D CB 0.197 40.722 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 -0.301 0.000 2.353 127 G HA2 0.411 4.369 3.960 -0.003 0.000 0.424 127 G HA3 0.411 4.369 3.960 -0.003 0.000 0.424 127 G C -1.343 173.650 174.900 0.154 0.000 1.320 127 G CA -0.458 44.605 45.100 -0.061 0.000 0.995 127 G HN 0.658 nan 8.290 nan 0.000 0.580 128 A N -0.494 122.403 122.820 0.128 0.000 2.324 128 A HA 0.830 5.149 4.320 -0.003 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 1.216 20.199 19.000 -0.029 0.000 1.197 128 A HN 2.477 nan 8.150 nan 0.000 0.484 129 G N 0.999 109.496 108.800 -0.505 0.000 2.606 129 G HA2 -0.278 3.680 3.960 -0.003 0.000 0.221 129 G HA3 -0.278 3.680 3.960 -0.003 0.000 0.221 129 G C 1.583 176.066 174.900 -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 -0.194 115.098 115.700 -0.681 0.000 2.419 130 S HA -0.066 4.402 4.470 -0.003 0.000 0.235 130 S C 2.297 176.778 174.600 -0.198 0.000 1.019 130 S CA 1.235 59.215 58.200 -0.366 0.000 0.982 130 S CB -0.158 62.856 63.200 -0.309 0.000 0.789 130 S HN 0.369 nan 8.310 nan 0.000 0.490 131 S N 0.601 116.209 115.700 -0.153 0.000 2.575 131 S HA 0.196 4.665 4.470 -0.003 0.000 0.215 131 S C 0.532 175.097 174.600 -0.057 0.000 0.966 131 S CA -0.268 57.908 58.200 -0.040 0.000 0.911 131 S CB -0.164 63.056 63.200 0.034 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 4.024 4.120 -0.003 0.000 0.299 132 V C 1.173 176.859 176.094 -0.681 0.000 1.201 132 V CA 1.041 62.960 62.300 -0.634 0.000 1.325 132 V CB 0.839 32.326 31.823 -0.560 0.000 0.871 132 V HN 0.457 nan 8.190 nan 0.000 0.509 133 D N 3.303 123.041 120.400 -1.103 0.000 2.805 133 D HA 0.044 4.683 4.640 -0.003 0.000 0.271 133 D C 0.795 176.972 176.300 -0.206 0.000 1.166 133 D CA 1.583 55.305 54.000 -0.463 0.000 1.004 133 D CB 0.161 40.810 40.800 -0.250 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 0.038 0.000 3.294 134 Y HA -0.277 4.272 4.550 -0.003 0.000 0.430 134 Y C 1.868 177.998 175.900 0.383 0.000 1.338 134 Y CA 1.003 59.274 58.100 0.285 0.000 2.150 134 Y CB -2.018 36.545 38.460 0.173 0.000 0.891 134 Y HN 0.136 nan 8.280 nan 0.000 0.462 135 S N -0.198 115.694 115.700 0.321 0.000 2.436 135 S HA 0.064 4.533 4.470 -0.003 0.000 0.228 135 S C 0.929 175.645 174.600 0.194 0.000 1.014 135 S CA 0.916 59.263 58.200 0.245 0.000 0.950 135 S CB -0.169 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 0.074 0.000 1.973 136 V HA 0.306 4.424 4.120 -0.003 0.000 0.255 136 V C -0.794 175.163 176.094 -0.228 0.000 1.605 136 V CA 0.387 62.625 62.300 -0.104 0.000 1.542 136 V CB -1.079 30.622 31.823 -0.202 0.000 1.504 136 V HN 0.473 nan 8.190 nan 0.000 0.505 137 F N 0.988 121.046 119.950 0.180 0.000 2.438 137 F HA 0.358 4.883 4.527 -0.003 0.000 0.381 137 F C 0.742 176.715 175.800 0.289 0.000 1.448 137 F CA -1.047 57.150 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 1.635 122.147 120.400 0.186 0.000 2.180 138 K HA 0.215 4.533 4.320 -0.003 0.000 0.251 138 K C -1.564 174.808 176.600 -0.379 0.000 1.014 138 K CA -1.088 55.111 56.287 -0.147 0.000 0.913 138 K CB -0.122 32.306 32.500 -0.121 0.000 1.008 138 K HN -0.111 nan 8.250 nan 0.000 0.490 139 P HA -0.272 nan 4.420 nan 0.000 0.022 139 P C -1.136 175.272 177.300 -1.488 0.000 0.927 139 P CA 1.628 63.904 63.100 -1.374 0.000 1.032 139 P CB -0.542 30.205 31.700 -1.589 0.000 1.900 140 F N -3.040 116.649 119.950 -0.435 0.000 2.726 140 F HA 0.621 5.147 4.527 -0.002 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 -0.498 0.000 0.964 140 F CB 0.924 39.734 39.000 -0.316 0.000 1.399 140 F HN -0.256 nan 8.300 nan 0.000 0.491 141 S N -1.181 114.722 115.700 0.337 0.000 1.773 141 S HA 0.121 4.589 4.470 -0.003 0.000 0.203 141 S C -0.297 174.523 174.600 0.366 0.000 0.762 141 S CA 0.281 58.659 58.200 0.297 0.000 1.503 141 S CB -0.520 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 1.298 117.288 115.700 0.484 0.000 2.758 142 S HA 0.456 4.924 4.470 -0.003 0.000 0.292 142 S C 0.832 175.622 174.600 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 0.643 120.353 119.800 -0.149 0.000 2.165 143 Q HA 0.071 4.410 4.340 -0.003 0.000 0.197 143 Q C 0.699 176.648 176.000 -0.085 0.000 0.952 143 Q CA 1.219 56.844 55.803 -0.297 0.000 0.848 143 Q CB -0.624 27.231 28.738 -1.472 0.000 0.931 143 Q HN 0.472 nan 8.270 nan 0.000 0.470 144 D N 0.529 120.755 120.400 -0.292 0.000 2.612 144 D HA -0.251 4.387 4.640 -0.003 0.000 0.191 144 D C 1.322 177.381 176.300 -0.402 0.000 1.061 144 D CA 1.873 55.643 54.000 -0.384 0.000 0.912 144 D CB -0.357 40.131 40.800 -0.520 0.000 0.891 144 D HN 0.530 nan 8.370 nan 0.000 0.463 145 Y N -1.087 119.037 120.300 -0.293 0.000 2.373 145 Y HA 0.054 4.602 4.550 -0.003 0.000 0.293 145 Y C 1.180 176.754 175.900 -0.544 0.000 1.129 145 Y CA -0.142 57.724 58.100 -0.390 0.000 1.226 145 Y CB -0.406 37.807 38.460 -0.412 0.000 1.000 145 Y HN -0.132 nan 8.280 nan 0.000 0.549 146 F N -1.084 118.848 119.950 -0.030 0.000 2.173 146 F HA 0.248 4.774 4.527 -0.002 0.000 0.280 146 F C 1.056 176.890 175.800 0.057 0.000 1.175 146 F CA -0.653 57.297 58.000 -0.084 0.000 1.166 146 F CB -0.134 38.799 39.000 -0.112 0.000 1.589 146 F HN -0.050 nan 8.300 nan 0.000 0.513 147 H N -0.250 118.949 119.070 0.215 0.000 2.927 147 H HA 0.387 4.941 4.556 -0.003 0.000 0.316 147 H C -2.337 173.201 175.328 0.350 0.000 1.403 147 H CA -1.708 54.446 56.048 0.177 0.000 1.288 147 H CB 1.959 31.767 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 0.938 32.674 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 4.978 4.527 -0.003 0.000 0.344 149 F C -0.944 174.709 175.800 -0.245 0.000 1.145 149 F CA -0.380 57.297 58.000 -0.537 0.000 0.996 149 F CB 0.558 38.880 39.000 -1.130 0.000 1.248 149 F HN 0.464 nan 8.300 nan 0.000 0.447 150 c N 3.029 121.456 118.600 -0.289 0.000 2.701 150 c HA 0.528 5.097 4.570 -0.003 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 0.032 42.535 42.510 -0.011 0.000 1.833 150 c HN 0.740 nan 8.230 nan 0.000 0.473 151 F N 2.958 122.763 119.950 -0.242 0.000 2.518 151 F HA 0.257 4.783 4.527 -0.002 0.000 0.375 151 F C 1.169 176.894 175.800 -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 5.452 126.020 120.570 -0.003 0.000 3.022 152 I HA -0.120 4.048 4.170 -0.003 0.000 0.290 152 I C 0.119 176.130 176.117 -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 37.237 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 4.729 4.340 -0.003 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 1.713 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 -0.237 118.461 118.700 -0.002 0.000 2.926 154 N HA -0.234 4.504 4.740 -0.003 0.000 0.249 154 N C -0.630 174.878 175.510 -0.003 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 0.226 120.530 120.300 0.007 0.000 2.244 155 Y HA -0.435 4.113 4.550 -0.003 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 -0.968 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 0.101 120.388 120.200 0.144 0.000 2.164 156 E HA -0.310 4.039 4.350 -0.003 0.000 0.206 156 E C 1.984 178.602 176.600 0.031 0.000 1.032 156 E CA 1.543 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 0.287 120.696 120.400 0.016 0.000 2.355 157 D HA -0.347 4.291 4.640 -0.003 0.000 0.192 157 D C 0.397 176.706 176.300 0.014 0.000 1.014 157 D CA 2.083 56.086 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 -0.730 119.074 119.800 0.007 0.000 2.478 158 Q HA -0.136 4.202 4.340 -0.003 0.000 0.286 158 Q C -0.440 175.576 176.000 0.026 0.000 1.299 158 Q CA 1.207 57.030 55.803 0.034 0.000 0.826 158 Q CB -2.101 26.683 28.738 0.077 0.000 1.199 158 Q HN 0.549 nan 8.270 nan 0.000 0.451 159 T N -1.669 112.886 114.554 0.002 0.000 3.541 159 T HA 0.300 4.648 4.350 -0.003 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 0.281 nan 8.240 nan 0.000 0.489 160 Q N -0.447 119.334 119.800 -0.033 0.000 2.039 160 Q HA 0.135 4.473 4.340 -0.003 0.000 0.153 160 Q C 1.804 177.740 176.000 -0.107 0.000 0.617 160 Q CA 0.409 56.178 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 2.852 122.676 119.914 -0.150 0.000 2.396 161 V HA -0.369 3.749 4.120 -0.003 0.000 0.268 161 V C 1.666 177.685 176.094 -0.124 0.000 1.129 161 V CA 2.930 65.130 62.300 -0.167 0.000 1.118 161 V CB -0.334 31.456 31.823 -0.056 0.000 0.707 161 V HN 0.615 nan 8.190 nan 0.000 0.458 162 E N -2.103 118.049 120.200 -0.080 0.000 2.474 162 E HA 0.002 4.351 4.350 -0.003 0.000 0.195 162 E C 1.000 177.469 176.600 -0.219 0.000 1.039 162 E CA 0.863 57.202 56.400 -0.103 0.000 0.881 162 E CB 0.117 29.797 29.700 -0.034 0.000 0.970 162 E HN 0.787 nan 8.360 nan 0.000 0.486 163 D N -0.150 120.092 120.400 -0.263 0.000 2.829 163 D HA 0.089 4.728 4.640 -0.003 0.000 0.250 163 D C 0.690 176.639 176.300 -0.585 0.000 1.304 163 D CA -0.206 53.485 54.000 -0.515 0.000 1.197 163 D CB -0.809 39.963 40.800 -0.046 0.000 1.501 163 D HN 0.061 nan 8.370 nan 0.000 0.424 164 c N 1.134 119.643 118.600 -0.151 0.000 2.950 164 c HA -0.094 4.475 4.570 -0.003 0.000 0.326 164 c C 0.230 174.300 174.090 -0.033 0.000 1.336 164 c CA 0.144 56.475 56.329 0.002 0.000 1.813 164 c CB -0.172 42.310 42.510 -0.046 0.000 2.276 164 c HN 0.296 nan 8.230 nan 0.000 0.702 165 W N 1.161 122.273 121.300 -0.312 0.000 2.316 165 W HA 0.527 5.185 4.660 -0.002 0.000 0.311 165 W C -0.010 176.265 176.519 -0.407 0.000 1.217 165 W CA -0.090 57.009 57.345 -0.410 0.000 1.199 165 W CB 0.351 29.361 29.460 -0.751 0.000 1.202 165 W HN 0.377 nan 8.180 nan 0.000 0.528 166 L N 4.665 125.730 121.223 -0.263 0.000 2.260 166 L HA 0.727 5.066 4.340 -0.003 0.000 0.289 166 L C 0.741 177.516 176.870 -0.158 0.000 1.057 166 L CA 0.549 55.244 54.840 -0.242 0.000 0.811 166 L CB 0.050 41.909 42.059 -0.333 0.000 1.184 166 L HN 0.652 nan 8.230 nan 0.000 0.429 167 G N 3.261 112.043 108.800 -0.031 0.000 2.278 167 G HA2 0.057 4.015 3.960 -0.003 0.000 0.265 167 G HA3 0.057 4.015 3.960 -0.003 0.000 0.265 167 G C -2.044 172.988 174.900 0.220 0.000 1.329 167 G CA -0.161 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 -0.175 120.372 120.400 0.246 0.000 2.365 168 D HA 0.313 4.951 4.640 -0.003 0.000 0.235 168 D C 0.688 177.187 176.300 0.332 0.000 1.368 168 D CA -0.562 53.662 54.000 0.373 0.000 1.001 168 D CB 0.690 41.657 40.800 0.279 0.000 1.364 168 D HN 0.261 nan 8.370 nan 0.000 0.577 169 N N 1.326 120.255 118.700 0.382 0.000 1.887 169 N HA -0.365 4.374 4.740 -0.003 0.000 0.138 169 N C 1.488 177.120 175.510 0.203 0.000 0.562 169 N CA 3.429 56.646 53.050 0.278 0.000 0.831 169 N CB -1.285 37.360 38.487 0.263 0.000 0.819 169 N HN 0.643 nan 8.380 nan 0.000 1.287 170 T N -0.746 113.942 114.554 0.222 0.000 2.771 170 T HA -0.164 4.185 4.350 -0.003 0.000 0.262 170 T C 0.914 175.742 174.700 0.213 0.000 1.027 170 T CA 1.691 63.949 62.100 0.262 0.000 1.159 170 T CB -0.198 68.960 68.868 0.484 0.000 0.844 170 T HN 0.288 nan 8.240 nan 0.000 0.478 171 V N 0.543 120.555 119.914 0.163 0.000 2.852 171 V HA 0.480 4.599 4.120 -0.003 0.000 0.300 171 V C -1.602 174.582 176.094 0.150 0.000 1.205 171 V CA -0.810 61.544 62.300 0.091 0.000 0.940 171 V CB 2.573 34.446 31.823 0.084 0.000 1.047 171 V HN 0.303 nan 8.190 nan 0.000 0.429 172 S N 6.443 122.252 115.700 0.182 0.000 2.577 172 S HA 0.542 5.010 4.470 -0.003 0.000 0.294 172 S C -0.474 174.204 174.600 0.130 0.000 1.161 172 S CA -0.546 57.862 58.200 0.348 0.000 1.143 172 S CB 0.746 64.394 63.200 0.746 0.000 0.991 172 S HN 0.658 nan 8.310 nan 0.000 0.475 173 L N 4.057 125.256 121.223 -0.040 0.000 2.546 173 L HA 0.178 4.516 4.340 -0.003 0.000 0.272 173 L C -1.951 174.664 176.870 -0.426 0.000 1.327 173 L CA -1.318 53.418 54.840 -0.173 0.000 1.199 173 L CB -0.812 41.088 42.059 -0.264 0.000 1.401 173 L HN 0.374 nan 8.230 nan 0.000 0.440 174 P HA -0.177 nan 4.420 nan 0.000 0.255 174 P C -0.367 176.469 177.300 -0.773 0.000 1.151 174 P CA 0.320 62.821 63.100 -0.999 0.000 0.767 174 P CB 0.383 31.744 31.700 -0.564 0.000 0.736 175 D N 3.521 123.255 120.400 -1.110 0.000 2.325 175 D HA 0.283 4.922 4.640 -0.003 0.000 0.251 175 D C -0.227 175.981 176.300 -0.154 0.000 1.196 175 D CA -0.147 53.533 54.000 -0.533 0.000 0.866 175 D CB 0.184 40.627 40.800 -0.596 0.000 1.101 175 D HN 0.183 nan 8.370 nan 0.000 0.476 176 L N 3.366 124.528 121.223 -0.102 0.000 2.334 176 L HA 0.412 4.751 4.340 -0.003 0.000 0.275 176 L C -0.459 176.367 176.870 -0.072 0.000 1.036 176 L CA -0.140 54.659 54.840 -0.068 0.000 0.807 176 L CB 1.139 43.141 42.059 -0.096 0.000 1.231 176 L HN 0.356 nan 8.230 nan 0.000 0.438 177 D N 1.346 121.758 120.400 0.020 0.000 3.488 177 D HA -0.103 4.535 4.640 -0.003 0.000 0.119 177 D C -0.022 176.395 176.300 0.195 0.000 0.791 177 D CA 0.049 54.079 54.000 0.049 0.000 2.021 177 D CB 0.095 40.846 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 0.097 0.000 3.227 178 T HA -0.010 4.339 4.350 -0.003 0.000 0.257 178 T C 0.474 175.198 174.700 0.040 0.000 1.162 178 T CA 1.542 63.666 62.100 0.040 0.000 1.051 178 T CB -0.081 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 2.942 117.544 114.554 0.080 0.000 3.389 179 T HA -0.106 4.242 4.350 -0.003 0.000 0.422 179 T C -0.543 174.181 174.700 0.039 0.000 0.767 179 T CA 0.572 62.707 62.100 0.058 0.000 2.199 179 T CB -1.270 67.633 68.868 0.059 0.000 1.700 179 T HN 0.615 nan 8.240 nan 0.000 0.698 180 K N 0.872 121.302 120.400 0.049 0.000 3.050 180 K HA 0.072 4.390 4.320 -0.003 0.000 0.385 180 K C -0.004 176.639 176.600 0.072 0.000 1.321 180 K CA 0.669 56.986 56.287 0.050 0.000 1.048 180 K CB -0.401 32.116 32.500 0.030 0.000 1.279 180 K HN 0.217 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 -0.352 4.286 4.640 -0.003 0.000 0.350 181 D C 1.611 177.996 176.300 0.143 0.000 1.343 181 D CA 3.269 57.339 54.000 0.117 0.000 1.540 181 D CB -0.620 40.228 40.800 0.080 0.000 0.823 181 D HN 0.503 nan 8.370 nan 0.000 0.790 182 V N -0.231 119.751 119.914 0.112 0.000 2.282 182 V HA -0.369 3.749 4.120 -0.003 0.000 0.241 182 V C 2.439 178.647 176.094 0.190 0.000 1.005 182 V CA 3.685 66.064 62.300 0.131 0.000 1.033 182 V CB -1.171 30.705 31.823 0.087 0.000 0.677 182 V HN 0.396 nan 8.190 nan 0.000 0.494 183 V N 1.776 121.810 119.914 0.200 0.000 2.225 183 V HA -0.440 3.679 4.120 -0.003 0.000 0.252 183 V C 2.615 178.886 176.094 0.295 0.000 1.055 183 V CA 3.936 66.404 62.300 0.279 0.000 1.032 183 V CB -1.106 30.831 31.823 0.190 0.000 0.655 183 V HN 0.943 nan 8.190 nan 0.000 0.458 184 K N 0.315 120.797 120.400 0.136 0.000 1.980 184 K HA -0.343 3.975 4.320 -0.003 0.000 0.223 184 K C 2.078 178.565 176.600 -0.188 0.000 1.052 184 K CA 2.431 58.568 56.287 -0.250 0.000 0.974 184 K CB -1.229 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 1.687 120.595 118.700 0.347 0.000 2.133 185 N HA -0.268 4.471 4.740 -0.003 0.000 0.193 185 N C 1.751 177.549 175.510 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 0.576 nan 8.380 nan 0.000 0.435 186 E N -0.540 119.866 120.200 0.342 0.000 1.998 186 E HA -0.153 4.195 4.350 -0.003 0.000 0.196 186 E C 2.043 178.861 176.600 0.363 0.000 1.003 186 E CA 1.686 58.248 56.400 0.269 0.000 0.829 186 E CB -1.336 28.482 29.700 0.198 0.000 0.777 186 E HN 0.466 nan 8.360 nan 0.000 0.460 187 W N -0.495 120.942 121.300 0.229 0.000 2.364 187 W HA -0.150 4.508 4.660 -0.003 0.000 0.281 187 W C 1.933 178.811 176.519 0.597 0.000 1.219 187 W CA 1.159 58.726 57.345 0.370 0.000 1.220 187 W CB -0.276 29.357 29.460 0.288 0.000 1.127 187 W HN 0.214 nan 8.180 nan 0.000 0.556 188 Y N 0.197 120.871 120.300 0.624 0.000 2.030 188 Y HA -0.337 4.212 4.550 -0.002 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 -1.403 37.183 38.460 0.210 0.000 0.969 188 Y HN -0.159 nan 8.280 nan 0.000 0.488 189 D N -0.825 119.804 120.400 0.382 0.000 2.177 189 D HA -0.282 4.356 4.640 -0.003 0.000 0.189 189 D C 1.924 178.348 176.300 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 0.436 nan 8.370 nan 0.000 0.447 190 W N 1.770 123.130 121.300 0.100 0.000 2.208 190 W HA -0.388 4.270 4.660 -0.002 0.000 0.329 190 W C 2.504 179.024 176.519 0.003 0.000 1.277 190 W CA 3.720 61.084 57.345 0.031 0.000 1.134 190 W CB -1.175 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 0.959 120.732 119.914 -0.235 0.000 2.236 191 V HA -0.308 3.811 4.120 -0.003 0.000 0.255 191 V C 2.141 177.978 176.094 -0.427 0.000 1.068 191 V CA 2.868 64.789 62.300 -0.631 0.000 1.044 191 V CB -2.348 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 -1.210 107.429 108.800 -0.268 0.000 2.469 192 G HA2 -0.297 3.661 3.960 -0.003 0.000 0.219 192 G HA3 -0.297 3.661 3.960 -0.003 0.000 0.219 192 G C 1.810 176.615 174.900 -0.158 0.000 1.150 192 G CA 1.405 46.394 45.100 -0.185 0.000 0.763 192 G HN 0.600 nan 8.290 nan 0.000 0.561 193 S N -0.162 115.448 115.700 -0.150 0.000 2.371 193 S HA -0.054 4.414 4.470 -0.003 0.000 0.224 193 S C 2.308 176.788 174.600 -0.200 0.000 1.029 193 S CA 1.088 59.206 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 1.760 122.770 121.223 -0.355 0.000 2.064 194 L HA -0.126 4.212 4.340 -0.003 0.000 0.216 194 L C 2.203 178.927 176.870 -0.244 0.000 1.077 194 L CA 1.955 56.550 54.840 -0.409 0.000 0.766 194 L CB -0.967 40.661 42.059 -0.718 0.000 0.890 194 L HN 0.206 nan 8.230 nan 0.000 0.435 195 V N -0.534 119.237 119.914 -0.238 0.000 2.250 195 V HA -0.442 3.677 4.120 -0.003 0.000 0.253 195 V C 2.759 178.813 176.094 -0.067 0.000 1.065 195 V CA 2.423 64.644 62.300 -0.131 0.000 1.039 195 V CB -0.747 31.004 31.823 -0.121 0.000 0.647 195 V HN 0.938 nan 8.190 nan 0.000 0.446 196 S N 1.018 116.678 115.700 -0.067 0.000 2.432 196 S HA -0.268 4.200 4.470 -0.003 0.000 0.266 196 S C 0.774 175.355 174.600 -0.032 0.000 1.076 196 S CA 2.229 60.403 58.200 -0.044 0.000 1.320 196 S CB -0.869 62.308 63.200 -0.039 0.000 1.222 196 S HN 0.973 nan 8.310 nan 0.000 0.439 197 N N -2.253 116.449 118.700 0.005 0.000 2.292 197 N HA 0.500 5.238 4.740 -0.003 0.000 0.303 197 N C -0.697 174.873 175.510 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 -0.542 119.690 120.300 -0.113 0.000 4.234 198 Y HA -0.310 4.238 4.550 -0.003 0.000 0.341 198 Y C 0.644 176.475 175.900 -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 -0.747 114.963 115.700 0.016 0.000 4.271 199 S HA -0.164 4.304 4.470 -0.003 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 -0.806 62.438 63.200 0.074 0.000 0.224 199 S HN 0.806 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 3.962 4.170 -0.003 0.000 0.126 200 I C -0.373 175.822 176.117 0.129 0.000 1.810 200 I CA 0.835 62.173 61.300 0.064 0.000 2.119 200 I CB -1.617 36.368 38.000 -0.026 0.000 3.512 200 I HN 0.431 nan 8.210 nan 0.000 0.194 201 D N 2.032 122.593 120.400 0.267 0.000 2.328 201 D HA 0.365 5.004 4.640 -0.003 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 0.661 41.790 40.800 0.549 0.000 0.922 201 D HN 0.689 nan 8.370 nan 0.000 0.516 202 G N -0.303 108.717 108.800 0.367 0.000 2.733 202 G HA2 0.512 4.470 3.960 -0.003 0.000 0.297 202 G HA3 0.512 4.470 3.960 -0.003 0.000 0.297 202 G C -1.738 173.086 174.900 -0.126 0.000 1.452 202 G CA -0.522 44.598 45.100 0.034 0.000 0.940 202 G HN -0.029 nan 8.290 nan 0.000 0.547 203 L N 0.513 121.568 121.223 -0.281 0.000 2.341 203 L HA 0.861 5.199 4.340 -0.003 0.000 0.254 203 L C 0.069 176.765 176.870 -0.289 0.000 1.040 203 L CA -0.873 53.851 54.840 -0.193 0.000 0.837 203 L CB 2.518 44.504 42.059 -0.121 0.000 1.425 203 L HN 0.738 nan 8.230 nan 0.000 0.414 204 R N 0.546 120.952 120.500 -0.157 0.000 2.710 204 R HA 0.752 5.090 4.340 -0.003 0.000 0.270 204 R C -1.867 174.378 176.300 -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 -0.129 0.000 1.243 204 R HN 0.616 nan 8.270 nan 0.000 0.464 205 I N 1.175 121.653 120.570 -0.154 0.000 2.433 205 I HA 0.325 4.493 4.170 -0.003 0.000 0.292 205 I C -0.262 175.796 176.117 -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 39.767 38.000 -0.366 0.000 1.289 205 I HN 0.498 nan 8.210 nan 0.000 0.438 206 D N 2.887 123.245 120.400 -0.069 0.000 2.324 206 D HA 0.031 4.670 4.640 -0.003 0.000 0.235 206 D C 0.575 176.928 176.300 0.089 0.000 1.095 206 D CA 0.539 54.561 54.000 0.037 0.000 0.871 206 D CB 0.118 40.923 40.800 0.008 0.000 0.906 206 D HN 0.745 nan 8.370 nan 0.000 0.522 207 T N -3.020 111.559 114.554 0.043 0.000 4.519 207 T HA 0.097 4.446 4.350 -0.003 0.000 0.261 207 T C 0.954 175.883 174.700 0.381 0.000 0.931 207 T CA -0.384 61.812 62.100 0.161 0.000 1.158 207 T CB -0.348 68.565 68.868 0.074 0.000 0.926 207 T HN -0.140 nan 8.240 nan 0.000 0.504 208 V N 2.109 122.138 119.914 0.192 0.000 2.219 208 V HA -0.220 3.899 4.120 -0.003 0.000 0.248 208 V C 2.655 179.117 176.094 0.613 0.000 1.053 208 V CA 2.645 65.069 62.300 0.206 0.000 1.009 208 V CB -0.188 31.192 31.823 -0.738 0.000 0.636 208 V HN 0.724 nan 8.190 nan 0.000 0.445 209 K N -0.286 120.207 120.400 0.155 0.000 1.980 209 K HA -0.192 4.126 4.320 -0.003 0.000 0.208 209 K C 1.811 178.545 176.600 0.223 0.000 1.043 209 K CA 2.049 58.386 56.287 0.082 0.000 0.938 209 K CB -0.580 31.815 32.500 -0.175 0.000 0.724 209 K HN 0.748 nan 8.250 nan 0.000 0.438 210 H N 0.659 119.842 119.070 0.187 0.000 2.566 210 H HA 0.005 4.559 4.556 -0.003 0.000 0.277 210 H C 1.534 176.853 175.328 -0.015 0.000 1.046 210 H CA 0.316 56.414 56.048 0.083 0.000 1.172 210 H CB 0.044 29.818 29.762 0.020 0.000 1.319 210 H HN 0.093 nan 8.280 nan 0.000 0.621 211 V N 1.103 121.068 119.914 0.085 0.000 2.759 211 V HA -0.184 3.934 4.120 -0.003 0.000 0.256 211 V C 0.799 176.631 176.094 -0.437 0.000 1.080 211 V CA 1.488 63.542 62.300 -0.409 0.000 1.101 211 V CB -0.682 30.476 31.823 -1.107 0.000 0.698 211 V HN 0.951 nan 8.190 nan 0.000 0.477 212 Q N 0.219 119.886 119.800 -0.222 0.000 2.334 212 Q HA -0.213 4.126 4.340 -0.003 0.000 0.295 212 Q C -0.291 175.558 176.000 -0.251 0.000 1.179 212 Q CA 0.703 56.394 55.803 -0.187 0.000 0.704 212 Q CB -1.876 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 2.358 122.679 120.400 -0.132 0.000 2.472 213 K HA -0.131 4.187 4.320 -0.003 0.000 0.269 213 K C 0.628 177.185 176.600 -0.072 0.000 1.056 213 K CA 2.279 58.505 56.287 -0.102 0.000 1.158 213 K CB 0.067 32.517 32.500 -0.084 0.000 0.821 213 K HN 0.884 nan 8.250 nan 0.000 0.486 214 D N 1.891 122.279 120.400 -0.021 0.000 1.953 214 D HA -0.253 4.385 4.640 -0.003 0.000 0.254 214 D C 0.627 176.963 176.300 0.061 0.000 0.769 214 D CA 0.946 54.967 54.000 0.035 0.000 1.409 214 D CB -1.547 39.272 40.800 0.032 0.000 1.414 214 D HN 0.373 nan 8.370 nan 0.000 0.748 215 F N 1.424 121.264 119.950 -0.184 0.000 2.095 215 F HA 0.058 4.584 4.527 -0.002 0.000 0.298 215 F C 2.138 178.012 175.800 0.123 0.000 1.104 215 F CA 2.529 60.407 58.000 -0.204 0.000 1.232 215 F CB -0.638 37.980 39.000 -0.636 0.000 0.987 215 F HN 0.340 nan 8.300 nan 0.000 0.475 216 W N 1.290 122.736 121.300 0.244 0.000 2.302 216 W HA -0.275 4.383 4.660 -0.003 0.000 0.320 216 W C -0.184 176.387 176.519 0.088 0.000 1.241 216 W CA 0.827 58.273 57.345 0.168 0.000 1.264 216 W CB -2.272 27.299 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 1.848 179.260 177.300 0.188 0.000 1.162 217 P CA 2.558 65.783 63.100 0.207 0.000 0.879 217 P CB -0.583 31.205 31.700 0.148 0.000 0.786 218 G N -0.809 108.130 108.800 0.232 0.000 2.529 218 G HA2 -0.327 3.631 3.960 -0.003 0.000 0.219 218 G HA3 -0.327 3.631 3.960 -0.003 0.000 0.219 218 G C 1.708 176.902 174.900 0.490 0.000 1.177 218 G CA 0.945 46.280 45.100 0.392 0.000 0.773 218 G HN 0.239 nan 8.290 nan 0.000 0.573 219 Y N 1.262 121.669 120.300 0.179 0.000 2.133 219 Y HA -0.148 4.401 4.550 -0.002 0.000 0.287 219 Y C 2.845 178.801 175.900 0.092 0.000 1.134 219 Y CA 1.775 59.928 58.100 0.088 0.000 1.133 219 Y CB -0.297 38.093 38.460 -0.117 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 4.435 4.740 -0.003 0.000 0.195 220 N C 1.503 177.032 175.510 0.033 0.000 1.017 220 N CA 1.853 54.961 53.050 0.097 0.000 0.870 220 N CB -0.107 38.435 38.487 0.093 0.000 1.024 220 N HN 0.198 nan 8.380 nan 0.000 0.434 221 K N 0.470 120.901 120.400 0.052 0.000 2.243 221 K HA 0.196 4.514 4.320 -0.003 0.000 0.201 221 K C 1.842 178.427 176.600 -0.025 0.000 1.051 221 K CA 0.751 57.043 56.287 0.008 0.000 0.970 221 K CB -0.348 32.154 32.500 0.005 0.000 0.755 221 K HN 0.304 nan 8.250 nan 0.000 0.465 222 A N 0.657 123.468 122.820 -0.017 0.000 1.948 222 A HA -0.027 4.292 4.320 -0.003 0.000 0.220 222 A C 1.030 178.553 177.584 -0.101 0.000 1.177 222 A CA 1.778 53.788 52.037 -0.045 0.000 0.636 222 A CB -0.450 18.534 19.000 -0.027 0.000 0.815 222 A HN 0.231 nan 8.150 nan 0.000 0.449 223 A N -1.426 121.304 122.820 -0.149 0.000 2.332 223 A HA 0.583 4.901 4.320 -0.003 0.000 0.300 223 A C 1.162 178.704 177.584 -0.069 0.000 1.153 223 A CA 0.125 52.085 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 1.080 109.864 108.800 -0.026 0.000 2.877 224 G HA2 -0.049 3.909 3.960 -0.003 0.000 0.211 224 G HA3 -0.049 3.909 3.960 -0.003 0.000 0.211 224 G C 0.831 175.757 174.900 0.044 0.000 1.367 224 G CA 1.016 46.124 45.100 0.014 0.000 0.807 224 G HN 1.367 nan 8.290 nan 0.000 0.666 225 V N 2.034 121.999 119.914 0.087 0.000 4.998 225 V HA -0.172 3.946 4.120 -0.003 0.000 0.196 225 V C 0.524 176.707 176.094 0.149 0.000 0.851 225 V CA 1.197 63.600 62.300 0.171 0.000 0.749 225 V CB -2.305 29.596 31.823 0.131 0.000 0.418 225 V HN 0.689 nan 8.190 nan 0.000 0.358 226 Y N 2.202 122.485 120.300 -0.028 0.000 2.541 226 Y HA -0.281 4.267 4.550 -0.003 0.000 0.296 226 Y C 0.424 176.150 175.900 -0.290 0.000 1.700 226 Y CA 1.021 59.001 58.100 -0.200 0.000 1.402 226 Y CB -0.492 37.758 38.460 -0.350 0.000 2.015 226 Y HN 0.602 nan 8.280 nan 0.000 0.269 227 C N 7.047 125.892 119.300 -0.758 0.000 2.719 227 C HA 0.778 5.236 4.460 -0.003 0.000 0.327 227 C C -0.108 174.330 174.990 -0.920 0.000 1.238 227 C CA -1.111 57.455 59.018 -0.753 0.000 1.727 227 C CB 1.644 29.186 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 4.538 4.170 -0.003 0.000 0.281 228 I C 0.335 176.242 176.117 -0.349 0.000 1.040 228 I CA 0.294 61.279 61.300 -0.525 0.000 1.094 228 I CB 1.002 38.669 38.000 -0.554 0.000 1.219 228 I HN 0.871 nan 8.210 nan 0.000 0.450 229 G N 4.039 112.644 108.800 -0.326 0.000 2.319 229 G HA2 0.368 4.327 3.960 -0.003 0.000 0.308 229 G HA3 0.368 4.327 3.960 -0.003 0.000 0.308 229 G C 0.572 175.354 174.900 -0.197 0.000 1.117 229 G CA -0.203 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 3.455 123.585 120.200 -0.116 0.000 2.127 230 E HA -0.015 4.334 4.350 -0.003 0.000 0.191 230 E C 1.340 177.977 176.600 0.062 0.000 0.964 230 E CA -0.048 56.382 56.400 0.050 0.000 0.832 230 E CB -0.333 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 1.464 121.358 119.914 -0.033 0.000 3.708 231 V HA -0.001 4.117 4.120 -0.003 0.000 0.296 231 V C 0.696 176.702 176.094 -0.147 0.000 1.174 231 V CA 0.766 63.019 62.300 -0.078 0.000 1.296 231 V CB 0.238 31.985 31.823 -0.126 0.000 1.086 231 V HN 0.423 nan 8.190 nan 0.000 0.502 232 L N 0.139 121.185 121.223 -0.296 0.000 2.341 232 L HA 0.853 5.192 4.340 -0.003 0.000 0.267 232 L C 0.137 176.850 176.870 -0.262 0.000 1.022 232 L CA -0.491 54.056 54.840 -0.488 0.000 0.844 232 L CB 1.434 42.746 42.059 -1.245 0.000 1.436 232 L HN 0.546 nan 8.230 nan 0.000 0.483 233 D N -1.565 118.721 120.400 -0.191 0.000 4.379 233 D HA -0.011 4.628 4.640 -0.003 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 40.176 40.800 -0.136 0.000 1.629 233 D HN 1.193 nan 8.370 nan 0.000 0.064 234 G N 2.617 111.600 108.800 0.304 0.000 2.089 234 G HA2 -0.023 3.936 3.960 -0.003 0.000 0.250 234 G HA3 -0.023 3.936 3.960 -0.003 0.000 0.250 234 G C -0.244 174.786 174.900 0.217 0.000 0.772 234 G CA 1.351 46.691 45.100 0.399 0.000 1.141 234 G HN 0.498 nan 8.290 nan 0.000 0.356 235 D N 1.804 122.312 120.400 0.180 0.000 2.362 235 D HA 0.230 4.868 4.640 -0.003 0.000 0.228 235 D C -0.722 175.669 176.300 0.151 0.000 1.326 235 D CA -0.979 53.092 54.000 0.118 0.000 0.927 235 D CB 0.951 41.783 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 1.139 178.524 177.300 0.141 0.000 1.147 236 P CA 2.441 65.613 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 -0.027 4.291 4.320 -0.003 0.000 0.207 237 A C 1.788 179.518 177.584 0.243 0.000 1.194 237 A CA 0.795 52.923 52.037 0.152 0.000 0.809 237 A CB -1.094 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 -2.561 117.820 120.300 0.134 0.000 2.820 238 Y HA 0.087 4.636 4.550 -0.002 0.000 0.261 238 Y C 2.084 178.120 175.900 0.225 0.000 1.123 238 Y CA 1.158 59.393 58.100 0.226 0.000 1.217 238 Y CB -0.161 38.412 38.460 0.187 0.000 1.432 238 Y HN 0.085 nan 8.280 nan 0.000 0.461 239 T N 0.908 115.736 114.554 0.456 0.000 2.684 239 T HA -0.231 4.118 4.350 -0.003 0.000 0.267 239 T C 1.890 176.633 174.700 0.072 0.000 1.036 239 T CA 1.909 64.133 62.100 0.208 0.000 1.148 239 T CB -0.924 68.097 68.868 0.254 0.000 0.863 239 T HN 0.538 nan 8.240 nan 0.000 0.436 240 c N 1.932 120.605 118.600 0.121 0.000 2.550 240 c HA -0.077 4.491 4.570 -0.003 0.000 0.287 240 c C 0.094 174.246 174.090 0.103 0.000 1.210 240 c CA 1.295 57.679 56.329 0.093 0.000 1.776 240 c CB -1.435 41.129 42.510 0.090 0.000 2.032 240 c HN 0.461 nan 8.230 nan 0.000 0.439 241 P HA -0.238 nan 4.420 nan 0.000 0.229 241 P C 0.715 178.061 177.300 0.077 0.000 1.152 241 P CA 2.212 65.356 63.100 0.074 0.000 0.915 241 P CB -0.491 31.236 31.700 0.045 0.000 0.784 242 Y N -0.304 119.937 120.300 -0.097 0.000 2.716 242 Y HA -0.098 4.450 4.550 -0.003 0.000 0.302 242 Y C 2.906 178.772 175.900 -0.056 0.000 1.160 242 Y CA 0.836 58.890 58.100 -0.076 0.000 1.362 242 Y CB -1.343 37.040 38.460 -0.128 0.000 0.988 242 Y HN 0.096 nan 8.280 nan 0.000 0.546 243 Q N 0.435 120.294 119.800 0.098 0.000 2.197 243 Q HA -0.254 4.084 4.340 -0.003 0.000 0.207 243 Q C 2.220 178.242 176.000 0.036 0.000 0.984 243 Q CA 1.780 57.609 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 -0.332 118.391 118.700 0.039 0.000 2.106 244 N HA -0.100 4.639 4.740 -0.003 0.000 0.188 244 N C 0.126 175.663 175.510 0.045 0.000 1.029 244 N CA 0.656 53.724 53.050 0.030 0.000 0.848 244 N CB -0.175 38.319 38.487 0.012 0.000 1.007 244 N HN 0.144 nan 8.380 nan 0.000 0.423 245 V N 1.415 121.369 119.914 0.066 0.000 2.881 245 V HA 0.100 4.219 4.120 -0.003 0.000 0.303 245 V C 1.102 177.254 176.094 0.097 0.000 1.070 245 V CA 0.381 62.757 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 1.608 121.265 119.600 0.094 0.000 6.502 246 M HA -0.283 4.196 4.480 -0.003 0.000 0.144 246 M C 0.625 176.888 176.300 -0.061 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 -0.174 0.000 1.070 246 M HN 0.749 nan 8.290 nan 0.000 0.257 247 D N -1.429 118.944 120.400 -0.044 0.000 4.411 247 D HA -0.022 4.617 4.640 -0.003 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 39.163 40.800 -0.001 0.000 1.072 247 D HN 0.794 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 4.491 3.960 -0.003 0.000 0.272 248 G HA3 0.532 4.491 3.960 -0.003 0.000 0.272 248 G C 0.034 174.846 174.900 -0.146 0.000 1.208 248 G CA 0.194 45.238 45.100 -0.093 0.000 0.856 248 G HN 0.679 nan 8.290 nan 0.000 0.500 249 V N 3.643 123.514 119.914 -0.073 0.000 2.483 249 V HA 0.624 4.743 4.120 -0.003 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 5.025 126.267 121.223 0.031 0.000 2.410 250 L HA 0.323 4.662 4.340 -0.003 0.000 0.273 250 L C 1.173 178.136 176.870 0.155 0.000 1.152 250 L CA 0.662 55.601 54.840 0.166 0.000 0.855 250 L CB 0.111 42.353 42.059 0.306 0.000 1.129 250 L HN 0.902 nan 8.230 nan 0.000 0.463 251 N N 3.275 121.977 118.700 0.003 0.000 2.410 251 N HA -0.070 4.668 4.740 -0.003 0.000 0.231 251 N C 0.773 176.157 175.510 -0.210 0.000 1.172 251 N CA -0.039 52.944 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 1.518 121.899 120.300 0.135 0.000 2.261 252 Y HA -0.331 4.217 4.550 -0.003 0.000 0.264 252 Y C -0.589 175.546 175.900 0.391 0.000 1.313 252 Y CA 2.430 60.768 58.100 0.396 0.000 1.079 252 Y CB -0.834 37.824 38.460 0.330 0.000 0.888 252 Y HN 0.427 nan 8.280 nan 0.000 0.523 253 P HA -0.138 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 1.589 64.922 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 -0.633 120.047 120.570 0.184 0.000 2.163 254 I HA -0.284 3.884 4.170 -0.003 0.000 0.243 254 I C 2.790 179.030 176.117 0.205 0.000 1.085 254 I CA 1.698 63.097 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 0.098 120.365 120.300 -0.055 0.000 2.163 255 Y HA -0.339 4.210 4.550 -0.002 0.000 0.288 255 Y C 2.364 178.299 175.900 0.059 0.000 1.136 255 Y CA 1.583 59.658 58.100 -0.042 0.000 1.147 255 Y CB -0.820 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 0.527 0.000 1.977 256 Y HA -0.313 4.236 4.550 -0.003 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 -1.808 36.861 38.460 0.348 0.000 0.948 256 Y HN 0.223 nan 8.280 nan 0.000 0.489 257 P HA -0.244 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 1.709 64.873 63.100 0.107 0.000 0.868 257 P CB -0.292 31.468 31.700 0.101 0.000 0.788 258 L N -1.199 120.060 121.223 0.060 0.000 2.051 258 L HA -0.207 4.132 4.340 -0.003 0.000 0.214 258 L C 2.707 179.700 176.870 0.204 0.000 1.076 258 L CA 1.477 56.415 54.840 0.163 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 -0.262 120.906 121.223 -0.092 0.000 2.027 259 L HA -0.224 4.115 4.340 -0.003 0.000 0.206 259 L C 2.224 178.935 176.870 -0.266 0.000 1.074 259 L CA 1.568 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 -0.179 118.445 118.700 -0.127 0.000 2.011 260 N HA -0.231 4.508 4.740 -0.003 0.000 0.199 260 N C 1.702 177.147 175.510 -0.108 0.000 1.047 260 N CA 2.089 55.086 53.050 -0.088 0.000 0.863 260 N CB -0.496 37.990 38.487 -0.001 0.000 1.056 260 N HN 0.479 nan 8.380 nan 0.000 0.427 261 A N -0.788 121.976 122.820 -0.094 0.000 1.975 261 A HA 0.130 4.448 4.320 -0.003 0.000 0.215 261 A C 0.685 178.175 177.584 -0.157 0.000 1.170 261 A CA 0.185 52.138 52.037 -0.140 0.000 0.656 261 A CB -0.392 18.496 19.000 -0.187 0.000 0.821 261 A HN 0.164 nan 8.150 nan 0.000 0.449 262 F N -0.068 119.798 119.950 -0.139 0.000 2.444 262 F HA 0.340 4.865 4.527 -0.003 0.000 0.331 262 F C 1.550 177.264 175.800 -0.143 0.000 1.167 262 F CA 1.039 58.995 58.000 -0.073 0.000 1.262 262 F CB 0.951 39.976 39.000 0.042 0.000 1.196 262 F HN 0.567 nan 8.300 nan 0.000 0.583 263 K N -1.502 119.009 120.400 0.185 0.000 6.337 263 K HA -0.178 4.140 4.320 -0.003 0.000 0.470 263 K C -0.384 176.216 176.600 -0.001 0.000 0.352 263 K CA 0.834 57.114 56.287 -0.013 0.000 1.970 263 K CB -1.815 30.445 32.500 -0.401 0.000 0.581 263 K HN 0.407 nan 8.250 nan 0.000 0.722 264 S N 2.812 118.481 115.700 -0.052 0.000 2.411 264 S HA 0.279 4.747 4.470 -0.003 0.000 0.304 264 S C 0.905 175.483 174.600 -0.036 0.000 1.098 264 S CA -0.036 58.141 58.200 -0.037 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 3.219 117.761 114.554 -0.020 0.000 2.616 265 T HA -0.276 4.073 4.350 -0.003 0.000 0.261 265 T C 1.919 176.582 174.700 -0.063 0.000 1.105 265 T CA 2.484 64.562 62.100 -0.036 0.000 1.159 265 T CB -0.816 68.036 68.868 -0.028 0.000 0.856 265 T HN 0.735 nan 8.240 nan 0.000 0.449 266 S N 1.150 116.816 115.700 -0.056 0.000 2.522 266 S HA 0.296 4.764 4.470 -0.003 0.000 0.227 266 S C 2.176 176.730 174.600 -0.076 0.000 0.986 266 S CA 0.414 58.575 58.200 -0.064 0.000 0.929 266 S CB -0.919 62.253 63.200 -0.047 0.000 0.769 266 S HN 0.836 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 -0.375 3.584 3.960 -0.003 0.000 0.359 267 G HA3 -0.375 3.584 3.960 -0.003 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 -2.819 112.819 115.700 -0.104 0.000 3.402 268 S HA 0.177 4.645 4.470 -0.003 0.000 0.127 268 S C 0.655 175.201 174.600 -0.090 0.000 0.852 268 S CA 0.631 58.782 58.200 -0.080 0.000 0.823 268 S CB -0.283 62.884 63.200 -0.056 0.000 1.333 268 S HN 0.396 nan 8.310 nan 0.000 0.663 269 M N 2.288 121.815 119.600 -0.121 0.000 2.331 269 M HA -0.124 4.355 4.480 -0.003 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 32.034 32.600 -0.157 0.000 1.392 269 M HN 0.535 nan 8.290 nan 0.000 0.427 270 D N 0.177 120.547 120.400 -0.048 0.000 2.149 270 D HA -0.185 4.453 4.640 -0.003 0.000 0.198 270 D C 1.131 177.455 176.300 0.040 0.000 0.990 270 D CA 1.360 55.355 54.000 -0.008 0.000 0.839 270 D CB -0.143 40.649 40.800 -0.014 0.000 0.948 270 D HN 0.358 nan 8.370 nan 0.000 0.460 271 D N -0.130 120.279 120.400 0.014 0.000 2.190 271 D HA -0.150 4.489 4.640 -0.003 0.000 0.200 271 D C 2.064 178.392 176.300 0.047 0.000 0.992 271 D CA 0.454 54.469 54.000 0.025 0.000 0.854 271 D CB -0.180 40.625 40.800 0.008 0.000 0.936 271 D HN 0.297 nan 8.370 nan 0.000 0.462 272 L N -1.034 120.216 121.223 0.045 0.000 2.049 272 L HA -0.123 4.215 4.340 -0.003 0.000 0.203 272 L C 2.157 179.115 176.870 0.146 0.000 1.074 272 L CA 0.755 55.638 54.840 0.072 0.000 0.749 272 L CB -0.251 41.817 42.059 0.014 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 4.192 4.550 -0.002 0.000 0.282 273 Y C 2.427 178.308 175.900 -0.031 0.000 1.165 273 Y CA 1.989 60.101 58.100 0.021 0.000 1.148 273 Y CB -0.579 37.890 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 4.459 4.740 -0.003 0.000 0.191 274 N C 1.849 177.342 175.510 -0.028 0.000 1.023 274 N CA 1.625 54.677 53.050 0.003 0.000 0.857 274 N CB -0.270 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 1.674 121.292 119.600 0.029 0.000 2.126 275 M HA -0.100 4.378 4.480 -0.003 0.000 0.259 275 M C 1.929 178.251 176.300 0.037 0.000 1.073 275 M CA 1.337 56.664 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 0.551 121.162 120.570 0.069 0.000 2.231 276 I HA -0.477 3.692 4.170 -0.003 0.000 0.251 276 I C 1.906 178.016 176.117 -0.011 0.000 1.076 276 I CA 1.769 63.115 61.300 0.078 0.000 1.347 276 I CB -0.584 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 -0.059 118.575 118.700 -0.110 0.000 2.109 277 N HA -0.120 4.618 4.740 -0.003 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 -0.697 37.581 38.487 -0.347 0.000 1.010 277 N HN 0.298 nan 8.380 nan 0.000 0.425 278 T N 1.096 115.614 114.554 -0.060 0.000 2.531 278 T HA -0.242 4.106 4.350 -0.003 0.000 0.261 278 T C 1.971 176.674 174.700 0.004 0.000 1.141 278 T CA 1.985 64.075 62.100 -0.017 0.000 1.176 278 T CB -1.064 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 -0.184 3.934 4.120 -0.003 0.000 0.250 279 V C 1.344 177.444 176.094 0.010 0.000 1.056 279 V CA 1.796 64.111 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 4.238 4.320 -0.003 0.000 0.206 280 K C 0.894 177.485 176.600 -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 0.638 nan 8.250 nan 0.000 0.271 281 S N 0.457 116.150 115.700 -0.011 0.000 1.198 281 S HA -0.187 4.281 4.470 -0.003 0.000 0.254 281 S C 0.991 175.592 174.600 0.002 0.000 0.549 281 S CA 0.497 58.692 58.200 -0.008 0.000 0.942 281 S CB -1.283 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 4.540 4.640 -0.003 0.000 0.194 282 D C 0.801 177.118 176.300 0.029 0.000 1.007 282 D CA 1.553 55.565 54.000 0.020 0.000 0.879 282 D CB -0.417 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 1.860 120.475 118.600 0.026 0.000 2.307 283 c HA 0.302 4.870 4.570 -0.003 0.000 0.340 283 c C -2.123 171.977 174.090 0.016 0.000 1.275 283 c CA -1.608 54.738 56.329 0.028 0.000 1.811 283 c CB 1.202 43.727 42.510 0.024 0.000 2.372 283 c HN 0.142 nan 8.230 nan 0.000 0.531 284 P HA 0.151 nan 4.420 nan 0.000 0.275 284 P C -0.313 176.992 177.300 0.008 0.000 1.276 284 P CA 0.638 63.744 63.100 0.009 0.000 0.782 284 P CB 1.069 32.776 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 -0.038 4.600 4.640 -0.003 0.000 0.248 285 D C 0.737 177.034 176.300 -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 -1.369 114.322 115.700 -0.014 0.000 3.476 286 S HA -0.276 4.193 4.470 -0.003 0.000 0.309 286 S C 0.704 175.291 174.600 -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 60.984 63.200 0.002 0.000 1.023 286 S HN 0.893 nan 8.310 nan 0.000 0.591 287 T N -1.938 112.597 114.554 -0.031 0.000 5.221 287 T HA -0.235 4.113 4.350 -0.003 0.000 0.299 287 T C 0.136 174.825 174.700 -0.020 0.000 1.489 287 T CA 1.374 63.449 62.100 -0.041 0.000 2.593 287 T CB -2.472 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 0.169 121.394 121.223 0.003 0.000 2.855 288 L HA 0.486 4.824 4.340 -0.003 0.000 0.245 288 L C 0.646 177.534 176.870 0.031 0.000 1.276 288 L CA -0.198 54.666 54.840 0.039 0.000 1.118 288 L CB -0.201 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 -0.210 121.017 121.223 0.006 0.000 2.334 289 L HA 0.714 5.052 4.340 -0.003 0.000 0.273 289 L C 0.336 177.190 176.870 -0.026 0.000 1.013 289 L CA -0.151 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 0.838 109.613 108.800 -0.042 0.000 2.417 290 G HA2 0.539 4.497 3.960 -0.003 0.000 0.320 290 G HA3 0.539 4.497 3.960 -0.003 0.000 0.320 290 G C -0.998 173.832 174.900 -0.116 0.000 1.204 290 G CA -0.330 44.735 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 4.724 4.350 -0.003 0.000 0.306 291 T C 0.707 175.417 174.700 0.017 0.000 1.020 291 T CA -0.499 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 2.959 122.989 119.950 0.134 0.000 2.202 292 F HA 0.589 5.114 4.527 -0.003 0.000 0.266 292 F C 1.932 177.846 175.800 0.190 0.000 1.173 292 F CA 0.131 58.246 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 -0.969 119.308 119.914 0.605 0.000 0.630 293 V HA -0.284 3.835 4.120 -0.003 0.000 0.092 293 V C 1.524 177.828 176.094 0.349 0.000 1.513 293 V CA 0.853 63.388 62.300 0.392 0.000 3.287 293 V CB -1.686 30.272 31.823 0.225 0.000 0.552 293 V HN 0.577 nan 8.190 nan 0.000 0.560 294 E N 1.022 121.327 120.200 0.176 0.000 1.992 294 E HA -0.103 4.245 4.350 -0.003 0.000 0.202 294 E C 0.666 177.146 176.600 -0.201 0.000 1.007 294 E CA 1.424 57.812 56.400 -0.019 0.000 0.857 294 E CB -0.142 29.477 29.700 -0.135 0.000 0.796 294 E HN 0.781 nan 8.360 nan 0.000 0.486 295 N N -0.059 118.276 118.700 -0.608 0.000 3.527 295 N HA -0.120 4.619 4.740 -0.003 0.000 0.265 295 N C 0.364 175.338 175.510 -0.893 0.000 1.041 295 N CA 0.876 53.469 53.050 -0.761 0.000 0.677 295 N CB -1.471 36.606 38.487 -0.684 0.000 1.202 295 N HN 0.567 nan 8.380 nan 0.000 0.595 296 H N 0.211 118.677 119.070 -1.006 0.000 1.501 296 H HA -0.344 4.211 4.556 -0.002 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 -1.033 28.567 29.762 -0.269 0.000 2.232 296 H HN 0.563 nan 8.280 nan 0.000 0.950 297 D N 1.094 121.243 120.400 -0.418 0.000 2.400 297 D HA -0.001 4.637 4.640 -0.003 0.000 0.242 297 D C -0.049 176.093 176.300 -0.264 0.000 1.077 297 D CA 0.561 54.377 54.000 -0.306 0.000 0.943 297 D CB -0.288 40.327 40.800 -0.309 0.000 0.882 297 D HN 0.441 nan 8.370 nan 0.000 0.529 298 N N -0.455 118.069 118.700 -0.294 0.000 2.629 298 N HA 0.497 5.235 4.740 -0.003 0.000 0.279 298 N C -2.841 172.553 175.510 -0.192 0.000 1.344 298 N CA -1.859 51.062 53.050 -0.215 0.000 0.789 298 N CB 2.315 40.673 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 -0.143 0.000 1.370 299 P CA -0.510 62.487 63.100 -0.172 0.000 0.854 299 P CB 0.988 32.547 31.700 -0.236 0.000 0.946 300 R N 2.726 123.167 120.500 -0.099 0.000 3.150 300 R HA -0.168 4.171 4.340 -0.003 0.000 0.279 300 R C 1.244 177.571 176.300 0.045 0.000 0.742 300 R CA 0.472 56.564 56.100 -0.013 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 3.373 123.305 119.950 -0.029 0.000 2.130 301 F HA -0.486 4.040 4.527 -0.003 0.000 0.263 301 F C 2.023 177.877 175.800 0.090 0.000 1.091 301 F CA 2.540 60.566 58.000 0.043 0.000 1.478 301 F CB -0.645 38.338 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 0.349 0.000 2.117 302 A HA -0.354 3.964 4.320 -0.003 0.000 0.224 302 A C 2.161 179.759 177.584 0.024 0.000 1.167 302 A CA 2.207 54.315 52.037 0.118 0.000 0.664 302 A CB -1.475 17.399 19.000 -0.210 0.000 0.811 302 A HN 0.639 nan 8.150 nan 0.000 0.470 303 S N -1.876 113.758 115.700 -0.109 0.000 2.423 303 S HA -0.177 4.292 4.470 -0.003 0.000 0.238 303 S C 1.395 175.854 174.600 -0.234 0.000 1.028 303 S CA 1.710 59.764 58.200 -0.244 0.000 1.000 303 S CB -0.434 62.507 63.200 -0.431 0.000 0.797 303 S HN 0.676 nan 8.310 nan 0.000 0.487 304 Y N 0.524 120.762 120.300 -0.104 0.000 2.976 304 Y HA 0.273 4.821 4.550 -0.003 0.000 0.214 304 Y C 1.709 177.607 175.900 -0.003 0.000 0.927 304 Y CA 0.197 58.245 58.100 -0.085 0.000 1.000 304 Y CB -1.028 37.323 38.460 -0.182 0.000 1.069 304 Y HN -0.085 nan 8.280 nan 0.000 0.462 305 T N 1.676 116.379 114.554 0.249 0.000 2.779 305 T HA 0.027 4.376 4.350 -0.003 0.000 0.296 305 T C -0.021 174.828 174.700 0.249 0.000 0.938 305 T CA -0.120 62.104 62.100 0.206 0.000 1.119 305 T CB -0.567 68.416 68.868 0.191 0.000 0.891 305 T HN 0.329 nan 8.240 nan 0.000 0.526 306 N N 4.134 122.954 118.700 0.201 0.000 3.052 306 N HA 0.111 4.849 4.740 -0.003 0.000 0.302 306 N C -1.233 174.390 175.510 0.188 0.000 1.332 306 N CA -0.578 52.618 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 0.091 120.616 120.400 0.208 0.000 2.788 307 D HA 0.130 4.768 4.640 -0.003 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 0.050 nan 8.370 nan 0.000 0.549 308 I N 0.881 121.470 120.570 0.032 0.000 2.103 308 I HA -0.386 3.783 4.170 -0.003 0.000 0.241 308 I C 2.400 178.536 176.117 0.031 0.000 1.036 308 I CA 2.108 63.419 61.300 0.018 0.000 1.300 308 I CB -0.725 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 1.529 124.374 122.820 0.041 0.000 1.852 309 A HA -0.231 4.088 4.320 -0.003 0.000 0.217 309 A C 2.241 179.873 177.584 0.079 0.000 1.215 309 A CA 2.396 54.466 52.037 0.054 0.000 0.641 309 A CB -1.233 17.799 19.000 0.052 0.000 0.838 309 A HN 0.399 nan 8.150 nan 0.000 0.450 310 L N -0.377 120.916 121.223 0.118 0.000 2.051 310 L HA -0.265 4.074 4.340 -0.003 0.000 0.214 310 L C 3.035 179.904 176.870 -0.002 0.000 1.076 310 L CA 2.163 57.128 54.840 0.209 0.000 0.758 310 L CB -0.856 41.367 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 4.048 4.320 -0.003 0.000 0.216 311 A C 2.345 179.735 177.584 -0.323 0.000 1.195 311 A CA 2.098 53.839 52.037 -0.493 0.000 0.622 311 A CB -0.540 18.338 19.000 -0.205 0.000 0.831 311 A HN 0.380 nan 8.150 nan 0.000 0.444 312 K N -0.464 119.869 120.400 -0.111 0.000 2.001 312 K HA -0.217 4.101 4.320 -0.003 0.000 0.214 312 K C 1.895 178.499 176.600 0.007 0.000 1.050 312 K CA 1.803 58.072 56.287 -0.031 0.000 0.934 312 K CB -0.390 32.123 32.500 0.022 0.000 0.718 312 K HN 0.461 nan 8.250 nan 0.000 0.443 313 N N 0.764 119.511 118.700 0.078 0.000 2.104 313 N HA -0.167 4.572 4.740 -0.003 0.000 0.190 313 N C 1.756 177.427 175.510 0.269 0.000 1.024 313 N CA 1.162 54.346 53.050 0.224 0.000 0.853 313 N CB -0.771 37.927 38.487 0.352 0.000 1.008 313 N HN 0.105 nan 8.380 nan 0.000 0.424 314 V N 0.915 120.734 119.914 -0.159 0.000 2.220 314 V HA -0.199 3.919 4.120 -0.003 0.000 0.246 314 V C 2.044 178.059 176.094 -0.132 0.000 1.049 314 V CA 2.368 64.245 62.300 -0.707 0.000 1.003 314 V CB -1.048 29.687 31.823 -1.814 0.000 0.634 314 V HN 0.311 nan 8.190 nan 0.000 0.444 315 A N -0.155 122.559 122.820 -0.176 0.000 1.940 315 A HA -0.017 4.302 4.320 -0.003 0.000 0.219 315 A C 2.435 180.075 177.584 0.092 0.000 1.176 315 A CA 2.494 54.516 52.037 -0.024 0.000 0.631 315 A CB -1.128 17.840 19.000 -0.053 0.000 0.814 315 A HN 1.017 nan 8.150 nan 0.000 0.446 316 A N -0.446 122.439 122.820 0.107 0.000 1.832 316 A HA -0.004 4.315 4.320 -0.003 0.000 0.214 316 A C 2.038 179.731 177.584 0.181 0.000 1.200 316 A CA 1.641 53.764 52.037 0.144 0.000 0.610 316 A CB -1.024 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 0.119 0.000 2.115 317 F HA -0.291 4.235 4.527 -0.002 0.000 0.300 317 F C 1.942 177.813 175.800 0.119 0.000 1.092 317 F CA 2.021 60.109 58.000 0.147 0.000 1.245 317 F CB -0.437 38.693 39.000 0.216 0.000 0.995 317 F HN 0.398 nan 8.300 nan 0.000 0.481 318 I N 1.175 121.761 120.570 0.027 0.000 2.163 318 I HA -0.262 3.906 4.170 -0.003 0.000 0.243 318 I C 2.252 178.298 176.117 -0.118 0.000 1.085 318 I CA 2.565 63.808 61.300 -0.096 0.000 1.347 318 I CB -0.847 37.235 38.000 0.136 0.000 1.044 318 I HN 0.441 nan 8.210 nan 0.000 0.408 319 I N -0.186 120.386 120.570 0.003 0.000 2.233 319 I HA -0.154 4.014 4.170 -0.003 0.000 0.243 319 I C 2.543 178.697 176.117 0.061 0.000 1.093 319 I CA 1.308 62.652 61.300 0.074 0.000 1.380 319 I CB -0.703 37.400 38.000 0.172 0.000 1.067 319 I HN 0.232 nan 8.210 nan 0.000 0.413 320 L N 1.065 122.311 121.223 0.039 0.000 2.093 320 L HA -0.133 4.205 4.340 -0.003 0.000 0.208 320 L C 1.698 178.562 176.870 -0.009 0.000 1.085 320 L CA 1.052 55.938 54.840 0.077 0.000 0.755 320 L CB -0.499 41.617 42.059 0.096 0.000 0.904 320 L HN 0.463 nan 8.230 nan 0.000 0.435 321 N N -0.465 118.100 118.700 -0.225 0.000 2.267 321 N HA -0.080 4.658 4.740 -0.003 0.000 0.269 321 N C -0.487 174.897 175.510 -0.209 0.000 1.287 321 N CA -0.095 52.756 53.050 -0.331 0.000 0.916 321 N CB 0.273 38.241 38.487 -0.864 0.000 1.052 321 N HN -0.101 nan 8.380 nan 0.000 0.496 322 D N -1.051 119.233 120.400 -0.192 0.000 2.295 322 D HA 0.557 5.196 4.640 -0.003 0.000 0.248 322 D C 0.078 176.316 176.300 -0.104 0.000 1.154 322 D CA 1.007 54.929 54.000 -0.130 0.000 0.857 322 D CB 0.371 41.121 40.800 -0.084 0.000 1.117 322 D HN 0.776 nan 8.370 nan 0.000 0.468 323 G N 1.287 110.037 108.800 -0.083 0.000 2.423 323 G HA2 -0.113 3.846 3.960 -0.003 0.000 0.684 323 G HA3 -0.113 3.846 3.960 -0.003 0.000 0.684 323 G C -1.053 173.832 174.900 -0.025 0.000 1.309 323 G CA -1.168 43.901 45.100 -0.052 0.000 0.950 323 G HN 0.434 nan 8.290 nan 0.000 0.587 324 L N 2.688 123.904 121.223 -0.011 0.000 2.500 324 L HA 0.368 4.707 4.340 -0.003 0.000 0.272 324 L C -1.370 175.516 176.870 0.027 0.000 1.149 324 L CA -0.651 54.200 54.840 0.018 0.000 0.897 324 L CB 0.818 42.872 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 -0.703 176.661 177.300 0.106 0.000 1.378 325 P CA -0.245 62.907 63.100 0.088 0.000 0.853 325 P CB 0.433 32.205 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 4.473 4.170 -0.003 0.000 0.290 326 I C 1.043 177.206 176.117 0.078 0.000 1.050 326 I CA -0.740 60.630 61.300 0.116 0.000 1.245 326 I CB 0.981 39.150 38.000 0.281 0.000 1.405 326 I HN 0.244 nan 8.210 nan 0.000 0.478 327 I N 7.460 127.879 120.570 -0.251 0.000 2.308 327 I HA 0.119 4.287 4.170 -0.003 0.000 0.293 327 I C -0.424 175.626 176.117 -0.111 0.000 1.078 327 I CA -0.486 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 7.685 127.992 120.300 0.011 0.000 2.496 328 Y HA 0.335 4.883 4.550 -0.003 0.000 0.334 328 Y C 0.973 176.842 175.900 -0.052 0.000 1.080 328 Y CA -0.539 57.598 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 5.344 127.933 122.820 -0.386 0.000 2.188 329 A HA 0.175 4.494 4.320 -0.003 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 -1.721 17.069 19.000 -0.350 0.000 0.707 329 A HN 2.004 nan 8.150 nan 0.000 0.338 330 G N 0.866 109.840 108.800 0.289 0.000 2.205 330 G HA2 -0.238 3.721 3.960 -0.003 0.000 0.180 330 G HA3 -0.238 3.721 3.960 -0.003 0.000 0.180 330 G C 0.808 175.923 174.900 0.359 0.000 1.004 330 G CA 0.790 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 0.600 120.553 119.800 0.255 0.000 1.967 331 Q HA -0.102 4.236 4.340 -0.003 0.000 0.202 331 Q C 2.656 178.755 176.000 0.166 0.000 0.985 331 Q CA 2.157 58.075 55.803 0.193 0.000 0.839 331 Q CB -0.250 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 0.419 120.722 120.200 0.172 0.000 2.242 332 E HA -0.330 4.019 4.350 -0.003 0.000 0.247 332 E C 1.497 178.196 176.600 0.165 0.000 1.056 332 E CA 1.787 58.299 56.400 0.187 0.000 0.999 332 E CB -1.065 28.785 29.700 0.251 0.000 0.891 332 E HN 0.441 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 -0.127 4.212 4.340 -0.003 0.000 0.215 333 Q C 0.264 176.263 176.000 -0.001 0.000 0.983 333 Q CA 1.139 56.907 55.803 -0.057 0.000 0.905 333 Q CB -0.950 27.539 28.738 -0.416 0.000 0.961 333 Q HN 0.583 nan 8.270 nan 0.000 0.503 334 H N -0.954 118.099 119.070 -0.028 0.000 2.827 334 H HA -0.199 4.355 4.556 -0.003 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 -1.631 28.151 29.762 0.034 0.000 1.532 334 H HN 0.385 nan 8.280 nan 0.000 0.434 335 Y N 1.138 121.480 120.300 0.070 0.000 2.600 335 Y HA 0.255 4.804 4.550 -0.003 0.000 0.351 335 Y C 1.665 177.556 175.900 -0.014 0.000 1.042 335 Y CA -0.148 57.975 58.100 0.039 0.000 1.333 335 Y CB 0.674 39.161 38.460 0.045 0.000 1.172 335 Y HN 0.530 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 4.282 4.320 -0.003 0.000 0.220 336 A C 1.731 179.315 177.584 0.001 0.000 1.198 336 A CA 1.587 53.638 52.037 0.023 0.000 0.647 336 A CB -1.260 17.757 19.000 0.028 0.000 0.825 336 A HN 1.115 nan 8.150 nan 0.000 0.456 337 G N -2.792 106.010 108.800 0.004 0.000 2.806 337 G HA2 0.354 4.313 3.960 -0.003 0.000 0.236 337 G HA3 0.354 4.313 3.960 -0.003 0.000 0.236 337 G C 0.259 175.117 174.900 -0.070 0.000 1.387 337 G CA -0.160 44.914 45.100 -0.044 0.000 0.884 337 G HN 1.931 nan 8.290 nan 0.000 0.560 338 G N -1.223 107.529 108.800 -0.082 0.000 2.701 338 G HA2 0.581 4.540 3.960 -0.003 0.000 0.300 338 G HA3 0.581 4.540 3.960 -0.003 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 -0.197 4.541 4.740 -0.003 0.000 0.199 339 N C 0.071 175.520 175.510 -0.101 0.000 0.987 339 N CA 2.194 55.176 53.050 -0.112 0.000 0.908 339 N CB 0.148 38.576 38.487 -0.098 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 4.661 4.640 -0.003 0.000 0.297 340 D C -1.916 174.363 176.300 -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 0.041 177.362 177.300 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 -1.374 121.432 122.820 -0.022 0.000 3.106 342 A HA 0.336 4.655 4.320 -0.003 0.000 0.306 342 A C 1.265 178.807 177.584 -0.069 0.000 1.192 342 A CA -0.343 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 -0.311 118.362 118.700 -0.045 0.000 2.348 343 N HA 0.045 4.784 4.740 -0.003 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 0.298 38.770 38.487 -0.026 0.000 1.065 343 N HN 0.357 nan 8.380 nan 0.000 0.472 344 R N 1.533 122.015 120.500 -0.029 0.000 0.595 344 R HA 0.136 4.475 4.340 -0.003 0.000 0.044 344 R C -0.084 176.116 176.300 -0.166 0.000 0.435 344 R CA 0.434 56.502 56.100 -0.055 0.000 2.175 344 R CB -0.202 30.115 30.300 0.028 0.000 0.479 344 R HN 0.118 nan 8.270 nan 0.000 0.808 345 E N -1.822 118.254 120.200 -0.206 0.000 5.832 345 E HA -0.051 4.297 4.350 -0.003 0.000 0.202 345 E C -1.231 175.190 176.600 -0.299 0.000 1.082 345 E CA 0.292 56.457 56.400 -0.392 0.000 1.355 345 E CB -1.710 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 2.062 124.775 122.820 -0.178 0.000 2.291 346 A HA -0.186 4.132 4.320 -0.003 0.000 0.313 346 A C 1.737 179.320 177.584 -0.003 0.000 1.108 346 A CA 1.690 53.703 52.037 -0.040 0.000 1.273 346 A CB -0.512 17.932 19.000 -0.926 0.000 0.773 346 A HN 0.618 nan 8.150 nan 0.000 0.415 347 T N 1.522 116.234 114.554 0.263 0.000 2.792 347 T HA -0.244 4.105 4.350 -0.003 0.000 0.268 347 T C 1.199 175.894 174.700 -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 0.123 0.000 0.846 347 T HN 1.058 nan 8.240 nan 0.000 0.489 348 W N 0.616 121.769 121.300 -0.246 0.000 3.077 348 W HA 0.256 4.915 4.660 -0.002 0.000 0.245 348 W C 1.268 177.630 176.519 -0.261 0.000 1.316 348 W CA -0.408 56.679 57.345 -0.430 0.000 1.537 348 W CB -0.678 28.589 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 4.134 4.340 -0.003 0.000 0.220 349 L C 1.318 177.915 176.870 -0.456 0.000 1.119 349 L CA 1.587 55.913 54.840 -0.855 0.000 0.780 349 L CB -0.471 41.318 42.059 -0.450 0.000 0.906 349 L HN 0.151 nan 8.230 nan 0.000 0.442 350 S N -2.097 113.386 115.700 -0.361 0.000 2.600 350 S HA 0.531 4.999 4.470 -0.003 0.000 0.300 350 S C 0.811 175.213 174.600 -0.330 0.000 1.087 350 S CA -0.321 57.730 58.200 -0.248 0.000 0.965 350 S CB 1.721 64.816 63.200 -0.175 0.000 1.089 350 S HN 0.130 nan 8.310 nan 0.000 0.496 351 G N 1.574 110.266 108.800 -0.180 0.000 3.186 351 G HA2 0.250 4.208 3.960 -0.003 0.000 0.214 351 G HA3 0.250 4.208 3.960 -0.003 0.000 0.214 351 G C -0.641 174.313 174.900 0.089 0.000 1.222 351 G CA -0.044 45.008 45.100 -0.080 0.000 0.921 351 G HN 0.854 nan 8.290 nan 0.000 0.504 352 Y N -2.359 117.993 120.300 0.085 0.000 2.788 352 Y HA -0.134 4.415 4.550 -0.003 0.000 0.050 352 Y C -1.832 174.097 175.900 0.049 0.000 1.997 352 Y CA -0.553 57.627 58.100 0.134 0.000 1.194 352 Y CB -1.564 37.011 38.460 0.191 0.000 1.860 352 Y HN 0.247 nan 8.280 nan 0.000 0.294 353 P HA 0.004 nan 4.420 nan 0.000 0.244 353 P C 1.224 178.464 177.300 -0.100 0.000 1.632 353 P CA 0.727 63.832 63.100 0.009 0.000 0.944 353 P CB 0.607 32.308 31.700 0.002 0.000 1.569 354 T N 1.047 115.503 114.554 -0.164 0.000 2.902 354 T HA -0.213 4.136 4.350 -0.003 0.000 0.260 354 T C 0.893 174.926 174.700 -1.112 0.000 1.064 354 T CA 2.296 63.957 62.100 -0.730 0.000 1.152 354 T CB -0.721 67.954 68.868 -0.322 0.000 0.810 354 T HN 0.306 nan 8.240 nan 0.000 0.523 355 D N 0.226 120.353 120.400 -0.454 0.000 2.538 355 D HA 0.191 4.829 4.640 -0.003 0.000 0.231 355 D C 0.634 176.877 176.300 -0.095 0.000 1.229 355 D CA 0.034 53.879 54.000 -0.257 0.000 0.828 355 D CB -0.314 40.394 40.800 -0.154 0.000 1.035 355 D HN 0.477 nan 8.370 nan 0.000 0.495 356 S N -0.291 115.371 115.700 -0.063 0.000 2.611 356 S HA -0.007 4.462 4.470 -0.003 0.000 0.252 356 S C 1.283 175.911 174.600 0.048 0.000 1.369 356 S CA -0.467 57.739 58.200 0.009 0.000 0.975 356 S CB 1.205 64.423 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 4.222 4.350 -0.003 0.000 0.197 357 E C 2.158 178.808 176.600 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 4.093 4.340 -0.003 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 -1.446 40.697 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 4.191 4.550 -0.002 0.000 0.275 359 Y C 2.784 178.673 175.900 -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 38.264 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 4.036 4.320 -0.003 0.000 0.214 360 K C 2.073 178.705 176.600 0.053 0.000 1.051 360 K CA 2.031 58.385 56.287 0.112 0.000 0.931 360 K CB -0.740 31.802 32.500 0.070 0.000 0.715 360 K HN 0.345 nan 8.250 nan 0.000 0.446 361 L N 1.299 122.552 121.223 0.050 0.000 2.012 361 L HA -0.208 4.130 4.340 -0.003 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 3.843 4.170 -0.003 0.000 0.239 362 I C 2.744 178.734 176.117 -0.210 0.000 1.066 362 I CA 1.318 62.561 61.300 -0.095 0.000 1.324 362 I CB -0.847 37.093 38.000 -0.101 0.000 1.037 362 I HN 0.407 nan 8.210 nan 0.000 0.401 363 A N 0.382 123.096 122.820 -0.176 0.000 1.842 363 A HA -0.267 4.051 4.320 -0.003 0.000 0.217 363 A C 2.499 180.012 177.584 -0.119 0.000 1.206 363 A CA 2.732 54.674 52.037 -0.158 0.000 0.630 363 A CB -1.148 17.825 19.000 -0.046 0.000 0.839 363 A HN 0.408 nan 8.150 nan 0.000 0.447 364 S N -0.377 115.281 115.700 -0.071 0.000 2.356 364 S HA -0.040 4.429 4.470 -0.003 0.000 0.223 364 S C 2.303 176.858 174.600 -0.074 0.000 1.032 364 S CA 1.416 59.577 58.200 -0.064 0.000 1.005 364 S CB -0.547 62.632 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 4.238 4.320 -0.003 0.000 0.214 365 A C 1.996 179.541 177.584 -0.066 0.000 1.192 365 A CA 1.296 53.308 52.037 -0.042 0.000 0.611 365 A CB -0.812 18.186 19.000 -0.003 0.000 0.832 365 A HN 0.403 nan 8.150 nan 0.000 0.442 366 N N 0.570 119.212 118.700 -0.098 0.000 2.094 366 N HA -0.196 4.542 4.740 -0.003 0.000 0.191 366 N C 1.921 177.363 175.510 -0.113 0.000 1.023 366 N CA 1.665 54.645 53.050 -0.116 0.000 0.857 366 N CB -0.572 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 1.706 124.449 122.820 -0.129 0.000 1.896 367 A HA -0.222 4.097 4.320 -0.003 0.000 0.220 367 A C 2.373 179.896 177.584 -0.102 0.000 1.206 367 A CA 1.733 53.705 52.037 -0.107 0.000 0.647 367 A CB -1.086 17.845 19.000 -0.115 0.000 0.828 367 A HN 0.440 nan 8.150 nan 0.000 0.455 368 I N -1.163 119.319 120.570 -0.147 0.000 2.185 368 I HA -0.355 3.814 4.170 -0.003 0.000 0.246 368 I C 2.631 178.588 176.117 -0.268 0.000 1.088 368 I CA 2.087 63.246 61.300 -0.235 0.000 1.347 368 I CB -0.229 37.599 38.000 -0.287 0.000 1.041 368 I HN 0.402 nan 8.210 nan 0.000 0.415 369 R N 0.646 121.007 120.500 -0.232 0.000 2.113 369 R HA -0.241 4.098 4.340 -0.003 0.000 0.231 369 R C 2.103 178.176 176.300 -0.378 0.000 1.129 369 R CA 2.557 58.446 56.100 -0.351 0.000 0.915 369 R CB -0.395 29.821 30.300 -0.140 0.000 0.837 369 R HN 0.502 nan 8.270 nan 0.000 0.430 370 N N -0.028 118.563 118.700 -0.183 0.000 2.036 370 N HA -0.251 4.487 4.740 -0.003 0.000 0.195 370 N C 1.570 176.994 175.510 -0.144 0.000 1.037 370 N CA 1.566 54.544 53.050 -0.120 0.000 0.855 370 N CB -1.101 37.352 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 4.221 4.550 -0.002 0.000 0.268 371 Y C 2.428 178.217 175.900 -0.185 0.000 1.177 371 Y CA 2.157 60.143 58.100 -0.189 0.000 1.111 371 Y CB -1.043 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 0.375 122.845 122.820 -0.583 0.000 1.896 372 A HA -0.297 4.021 4.320 -0.003 0.000 0.220 372 A C 2.358 179.719 177.584 -0.372 0.000 1.206 372 A CA 2.871 54.626 52.037 -0.471 0.000 0.647 372 A CB -1.486 17.342 19.000 -0.287 0.000 0.828 372 A HN 0.638 nan 8.150 nan 0.000 0.455 373 I N -0.573 119.815 120.570 -0.303 0.000 2.099 373 I HA -0.275 3.894 4.170 -0.003 0.000 0.239 373 I C 2.735 178.747 176.117 -0.175 0.000 1.066 373 I CA 1.572 62.773 61.300 -0.164 0.000 1.324 373 I CB -0.722 37.220 38.000 -0.097 0.000 1.037 373 I HN 0.261 nan 8.210 nan 0.000 0.401 374 S N 0.482 116.053 115.700 -0.215 0.000 2.390 374 S HA -0.309 4.159 4.470 -0.003 0.000 0.234 374 S C 2.047 176.535 174.600 -0.187 0.000 1.063 374 S CA 1.982 60.073 58.200 -0.182 0.000 1.108 374 S CB -0.307 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 1.114 121.337 120.400 -0.295 0.000 2.103 375 K HA 0.020 4.339 4.320 -0.003 0.000 0.204 375 K C 0.540 177.062 176.600 -0.131 0.000 1.052 375 K CA 1.065 57.226 56.287 -0.210 0.000 0.945 375 K CB 0.160 32.467 32.500 -0.321 0.000 0.722 375 K HN 0.455 nan 8.250 nan 0.000 0.443 376 D N 0.167 120.482 120.400 -0.142 0.000 2.472 376 D HA 0.023 4.661 4.640 -0.003 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 0.308 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 -1.541 112.999 114.554 -0.024 0.000 3.193 377 T HA 0.423 4.772 4.350 -0.003 0.000 0.407 377 T C 1.545 176.287 174.700 0.071 0.000 1.146 377 T CA 0.719 62.831 62.100 0.019 0.000 1.085 377 T CB -0.112 68.764 68.868 0.012 0.000 1.424 377 T HN 0.966 nan 8.240 nan 0.000 0.521 378 G N -0.475 108.384 108.800 0.098 0.000 2.157 378 G HA2 -0.270 3.688 3.960 -0.003 0.000 0.248 378 G HA3 -0.270 3.688 3.960 -0.003 0.000 0.248 378 G C 0.340 175.347 174.900 0.178 0.000 0.979 378 G CA 0.479 45.646 45.100 0.111 0.000 0.650 378 G HN 0.928 nan 8.290 nan 0.000 0.529 379 F N 0.671 120.641 119.950 0.034 0.000 2.615 379 F HA 0.416 4.942 4.527 -0.003 0.000 0.297 379 F C 2.098 177.944 175.800 0.078 0.000 1.124 379 F CA 1.420 59.447 58.000 0.046 0.000 1.451 379 F CB -0.105 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 0.884 120.769 119.914 -0.049 0.000 2.221 380 V HA -0.348 3.770 4.120 -0.003 0.000 0.244 380 V C 2.257 178.268 176.094 -0.140 0.000 1.043 380 V CA 3.126 65.346 62.300 -0.133 0.000 0.996 380 V CB -0.843 30.982 31.823 0.003 0.000 0.636 380 V HN 0.564 nan 8.190 nan 0.000 0.454 381 T N -0.773 113.752 114.554 -0.048 0.000 2.516 381 T HA -0.317 4.032 4.350 -0.003 0.000 0.261 381 T C 1.002 175.667 174.700 -0.059 0.000 1.130 381 T CA 1.545 63.618 62.100 -0.045 0.000 1.193 381 T CB -0.798 68.058 68.868 -0.020 0.000 0.864 381 T HN 0.572 nan 8.240 nan 0.000 0.410 382 Y N 3.768 124.010 120.300 -0.097 0.000 2.735 382 Y HA -0.173 4.375 4.550 -0.003 0.000 0.332 382 Y C -0.015 175.818 175.900 -0.112 0.000 1.174 382 Y CA -0.403 57.640 58.100 -0.096 0.000 1.177 382 Y CB -0.873 37.534 38.460 -0.088 0.000 1.266 382 Y HN -0.017 nan 8.280 nan 0.000 0.353 383 K N 4.996 125.106 120.400 -0.484 0.000 2.161 383 K HA -0.150 4.168 4.320 -0.003 0.000 0.260 383 K C 0.307 176.825 176.600 -0.137 0.000 1.158 383 K CA 0.255 56.387 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 4.934 123.644 118.700 0.018 0.000 2.102 384 N HA -0.098 4.640 4.740 -0.003 0.000 0.279 384 N C -2.294 173.290 175.510 0.123 0.000 1.369 384 N CA -0.468 52.648 53.050 0.110 0.000 1.045 384 N CB 0.008 38.509 38.487 0.024 0.000 1.470 384 N HN 0.251 nan 8.380 nan 0.000 0.481 385 P HA 0.056 nan 4.420 nan 0.000 0.281 385 P C 0.089 177.402 177.300 0.022 0.000 1.252 385 P CA -0.276 62.839 63.100 0.026 0.000 0.778 385 P CB 0.173 31.848 31.700 -0.040 0.000 0.895 386 Y N 2.549 122.866 120.300 0.028 0.000 2.571 386 Y HA -0.025 4.524 4.550 -0.003 0.000 0.294 386 Y C 2.306 178.352 175.900 0.242 0.000 1.141 386 Y CA -0.251 57.890 58.100 0.068 0.000 1.308 386 Y CB -0.969 37.294 38.460 -0.329 0.000 1.002 386 Y HN 0.218 nan 8.280 nan 0.000 0.551 387 I N -0.041 120.354 120.570 -0.293 0.000 4.199 387 I HA -0.564 3.605 4.170 -0.003 0.000 0.114 387 I C 0.733 176.933 176.117 0.139 0.000 0.624 387 I CA 2.487 63.691 61.300 -0.159 0.000 0.951 387 I CB -0.225 37.740 38.000 -0.057 0.000 0.827 387 I HN 0.446 nan 8.210 nan 0.000 0.217 388 K N 1.577 122.131 120.400 0.258 0.000 2.507 388 K HA 0.204 4.522 4.320 -0.003 0.000 0.251 388 K C -1.678 174.938 176.600 0.026 0.000 0.943 388 K CA -0.261 56.129 56.287 0.171 0.000 0.794 388 K CB 1.213 33.758 32.500 0.074 0.000 1.188 388 K HN 0.420 nan 8.250 nan 0.000 0.428 389 D N 3.645 123.815 120.400 -0.384 0.000 2.420 389 D HA 0.139 4.777 4.640 -0.003 0.000 0.255 389 D C -0.432 175.681 176.300 -0.312 0.000 1.185 389 D CA -0.273 53.429 54.000 -0.496 0.000 0.904 389 D CB 1.351 41.547 40.800 -1.007 0.000 1.102 389 D HN 0.537 nan 8.370 nan 0.000 0.534 390 D N 2.242 122.553 120.400 -0.148 0.000 2.736 390 D HA 0.090 4.729 4.640 -0.003 0.000 0.251 390 D C 1.095 177.353 176.300 -0.069 0.000 1.348 390 D CA 0.621 54.568 54.000 -0.089 0.000 1.160 390 D CB 0.350 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 -0.022 0.000 3.015 391 T HA 0.205 4.553 4.350 -0.003 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 0.150 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 0.037 114.582 114.554 -0.015 0.000 2.901 392 T HA 0.772 5.120 4.350 -0.003 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 1.623 70.520 68.868 0.049 0.000 1.170 392 T HN 0.066 nan 8.240 nan 0.000 0.509 393 I N 0.959 121.527 120.570 -0.005 0.000 2.577 393 I HA 0.728 4.896 4.170 -0.003 0.000 0.305 393 I C 0.057 176.238 176.117 0.107 0.000 0.986 393 I CA -1.095 60.234 61.300 0.049 0.000 1.189 393 I CB 1.790 39.823 38.000 0.056 0.000 1.355 393 I HN 1.014 nan 8.210 nan 0.000 0.476 394 A N 5.834 128.735 122.820 0.136 0.000 2.465 394 A HA 0.839 5.157 4.320 -0.003 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 1.343 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 5.217 4.480 -0.003 0.000 0.304 395 M C -0.306 176.045 176.300 0.085 0.000 1.215 395 M CA -0.667 54.721 55.300 0.146 0.000 0.871 395 M CB 1.619 34.336 32.600 0.196 0.000 1.740 395 M HN 0.570 nan 8.290 nan 0.000 0.464 396 R N 1.229 121.764 120.500 0.058 0.000 2.215 396 R HA 0.613 4.952 4.340 -0.003 0.000 0.337 396 R C -1.289 174.947 176.300 -0.107 0.000 1.010 396 R CA -0.301 55.791 56.100 -0.014 0.000 0.871 396 R CB 0.681 30.962 30.300 -0.031 0.000 1.134 396 R HN 0.846 nan 8.270 nan 0.000 0.477 397 K N 3.455 123.683 120.400 -0.286 0.000 2.427 397 K HA 0.671 4.989 4.320 -0.003 0.000 0.252 397 K C -0.835 175.351 176.600 -0.689 0.000 0.931 397 K CA -0.164 55.803 56.287 -0.533 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 1.236 109.488 108.800 -0.914 0.000 2.265 398 G HA2 -0.055 3.903 3.960 -0.003 0.000 0.246 398 G HA3 -0.055 3.903 3.960 -0.003 0.000 0.246 398 G C -0.737 174.127 174.900 -0.060 0.000 1.299 398 G CA -0.271 44.677 45.100 -0.255 0.000 1.117 398 G HN 0.657 nan 8.290 nan 0.000 0.485 399 T N 0.036 114.593 114.554 0.004 0.000 2.619 399 T HA 0.636 4.985 4.350 -0.003 0.000 0.244 399 T C 0.797 175.515 174.700 0.030 0.000 0.893 399 T CA 0.326 62.463 62.100 0.061 0.000 1.093 399 T CB 0.667 69.574 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 4.796 4.640 -0.003 0.000 0.280 400 D C 1.428 177.739 176.300 0.018 0.000 1.117 400 D CA 0.418 54.432 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 0.939 nan 8.370 nan 0.000 0.477 401 G N -0.230 108.581 108.800 0.019 0.000 2.449 401 G HA2 -0.329 3.630 3.960 -0.003 0.000 0.304 401 G HA3 -0.329 3.630 3.960 -0.003 0.000 0.304 401 G C 0.580 175.495 174.900 0.025 0.000 0.962 401 G CA 1.507 46.618 45.100 0.020 0.000 0.943 401 G HN 1.408 nan 8.290 nan 0.000 0.514 402 S N -2.978 112.740 115.700 0.030 0.000 3.427 402 S HA -0.313 4.155 4.470 -0.003 0.000 0.373 402 S C 0.604 175.224 174.600 0.033 0.000 0.973 402 S CA 1.936 60.161 58.200 0.042 0.000 1.218 402 S CB -1.297 61.936 63.200 0.056 0.000 0.912 402 S HN 0.915 nan 8.310 nan 0.000 0.483 403 Q N -0.052 119.758 119.800 0.016 0.000 2.286 403 Q HA 0.465 4.804 4.340 -0.003 0.000 0.281 403 Q C -0.133 175.851 176.000 -0.026 0.000 0.897 403 Q CA -0.068 55.744 55.803 0.015 0.000 1.023 403 Q CB 0.359 29.107 28.738 0.017 0.000 1.151 403 Q HN 0.742 nan 8.270 nan 0.000 0.445 404 I N 1.480 122.001 120.570 -0.081 0.000 2.310 404 I HA 0.164 4.332 4.170 -0.003 0.000 0.287 404 I C -0.643 175.317 176.117 -0.263 0.000 1.073 404 I CA -0.493 60.693 61.300 -0.191 0.000 1.216 404 I CB 1.095 38.964 38.000 -0.218 0.000 1.415 404 I HN -0.039 nan 8.210 nan 0.000 0.480 405 V N 7.383 127.143 119.914 -0.257 0.000 2.370 405 V HA 0.459 4.578 4.120 -0.003 0.000 0.283 405 V C 0.196 176.251 176.094 -0.065 0.000 1.023 405 V CA -0.062 62.113 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 5.654 120.207 114.554 -0.001 0.000 2.772 406 T HA 0.680 5.028 4.350 -0.003 0.000 0.288 406 T C -0.582 174.174 174.700 0.094 0.000 0.994 406 T CA -0.389 61.728 62.100 0.028 0.000 0.951 406 T CB 0.663 69.536 68.868 0.009 0.000 0.933 406 T HN 0.524 nan 8.240 nan 0.000 0.447 407 I N 5.123 125.757 120.570 0.107 0.000 2.328 407 I HA 0.339 4.508 4.170 -0.003 0.000 0.287 407 I C -0.054 176.151 176.117 0.147 0.000 1.012 407 I CA -1.214 60.169 61.300 0.138 0.000 1.195 407 I CB 1.378 39.472 38.000 0.158 0.000 1.350 407 I HN 0.521 nan 8.210 nan 0.000 0.464 408 L N 3.077 124.382 121.223 0.138 0.000 2.277 408 L HA 0.672 5.011 4.340 -0.003 0.000 0.284 408 L C -0.670 176.284 176.870 0.140 0.000 1.028 408 L CA -0.050 54.870 54.840 0.133 0.000 0.835 408 L CB 0.632 42.760 42.059 0.113 0.000 1.215 408 L HN 0.448 nan 8.230 nan 0.000 0.425 409 S N 4.421 120.206 115.700 0.142 0.000 2.473 409 S HA 0.675 5.143 4.470 -0.003 0.000 0.307 409 S C -0.098 174.545 174.600 0.071 0.000 1.094 409 S CA -0.742 57.538 58.200 0.132 0.000 1.070 409 S CB 1.808 65.122 63.200 0.190 0.000 1.019 409 S HN 0.891 nan 8.310 nan 0.000 0.480 410 N N 1.693 120.424 118.700 0.052 0.000 2.545 410 N HA 0.512 5.250 4.740 -0.003 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 0.951 39.395 38.487 -0.072 0.000 1.395 410 N HN 0.604 nan 8.380 nan 0.000 0.526 411 K N -2.083 118.250 120.400 -0.111 0.000 2.288 411 K HA 0.682 5.000 4.320 -0.003 0.000 0.234 411 K C -0.119 176.446 176.600 -0.058 0.000 1.037 411 K CA -0.697 55.555 56.287 -0.060 0.000 0.914 411 K CB 0.731 33.173 32.500 -0.096 0.000 1.197 411 K HN 0.790 nan 8.250 nan 0.000 0.471 412 G N -0.577 108.214 108.800 -0.014 0.000 2.897 412 G HA2 0.035 3.994 3.960 -0.003 0.000 0.436 412 G HA3 0.035 3.994 3.960 -0.003 0.000 0.436 412 G C 0.381 175.280 174.900 -0.002 0.000 1.079 412 G CA -0.255 44.834 45.100 -0.018 0.000 1.090 412 G HN 0.805 nan 8.290 nan 0.000 0.480 413 A N 1.412 124.245 122.820 0.022 0.000 2.119 413 A HA 0.312 4.630 4.320 -0.003 0.000 0.217 413 A C 2.613 180.204 177.584 0.012 0.000 1.153 413 A CA 2.222 54.272 52.037 0.022 0.000 0.692 413 A CB -0.221 18.800 19.000 0.035 0.000 0.799 413 A HN 1.339 nan 8.150 nan 0.000 0.458 414 S N -0.789 114.915 115.700 0.007 0.000 2.387 414 S HA 0.184 4.652 4.470 -0.003 0.000 0.230 414 S C 1.375 175.974 174.600 -0.001 0.000 1.035 414 S CA 1.075 59.276 58.200 0.002 0.000 1.014 414 S CB -0.702 62.496 63.200 -0.003 0.000 0.836 414 S HN 1.758 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 -0.147 3.812 3.960 -0.003 0.000 0.533 415 G HA3 -0.147 3.812 3.960 -0.003 0.000 0.533 415 G C -0.549 174.346 174.900 -0.008 0.000 1.516 415 G CA 0.105 45.198 45.100 -0.011 0.000 0.944 415 G HN 0.464 nan 8.290 nan 0.000 0.555 416 D N -1.179 119.224 120.400 0.005 0.000 4.049 416 D HA 0.263 4.902 4.640 -0.003 0.000 0.241 416 D C 0.302 176.647 176.300 0.075 0.000 1.472 416 D CA 0.759 54.775 54.000 0.027 0.000 0.879 416 D CB -0.619 40.186 40.800 0.008 0.000 1.386 416 D HN 1.225 nan 8.370 nan 0.000 0.813 417 S N 1.459 117.205 115.700 0.076 0.000 3.995 417 S HA -0.268 4.200 4.470 -0.003 0.000 0.195 417 S C -0.393 174.305 174.600 0.163 0.000 0.580 417 S CA 0.426 58.684 58.200 0.097 0.000 1.355 417 S CB -1.007 62.231 63.200 0.062 0.000 1.717 417 S HN 0.477 nan 8.310 nan 0.000 0.343 418 Y N 2.871 123.177 120.300 0.010 0.000 2.593 418 Y HA 0.281 4.830 4.550 -0.003 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 0.396 nan 8.280 nan 0.000 0.506 419 T N 6.597 121.062 114.554 -0.148 0.000 2.821 419 T HA 0.398 4.747 4.350 -0.003 0.000 0.307 419 T C -0.228 174.337 174.700 -0.225 0.000 1.034 419 T CA -0.695 61.318 62.100 -0.144 0.000 0.953 419 T CB 0.433 69.262 68.868 -0.065 0.000 0.968 419 T HN 0.526 nan 8.240 nan 0.000 0.462 420 L N 0.250 121.340 121.223 -0.222 0.000 2.267 420 L HA 0.939 5.277 4.340 -0.003 0.000 0.264 420 L C -0.679 176.138 176.870 -0.088 0.000 1.021 420 L CA -1.097 53.627 54.840 -0.195 0.000 0.861 420 L CB 1.739 43.630 42.059 -0.280 0.000 1.443 420 L HN 0.515 nan 8.230 nan 0.000 0.475 421 S N 2.315 117.980 115.700 -0.059 0.000 2.667 421 S HA 0.346 4.814 4.470 -0.003 0.000 0.304 421 S C -0.302 174.300 174.600 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 0.096 4.435 4.340 -0.003 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 -0.978 41.126 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 2.426 423 S HA -0.098 4.370 4.470 -0.003 0.000 0.220 423 S C 1.177 175.786 174.600 0.016 0.000 1.040 423 S CA 1.422 59.637 58.200 0.024 0.000 1.094 423 S CB -0.438 62.777 63.200 0.025 0.000 1.072 423 S HN 0.948 nan 8.310 nan 0.000 0.415 424 G N -1.138 107.665 108.800 0.004 0.000 2.679 424 G HA2 0.404 4.363 3.960 -0.003 0.000 0.202 424 G HA3 0.404 4.363 3.960 -0.003 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 1.360 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 4.168 4.320 -0.003 0.000 0.260 425 A C 1.259 178.592 177.584 -0.418 0.000 1.168 425 A CA 1.299 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 1.867 nan 8.150 nan 0.000 0.934 426 S N -0.083 115.510 115.700 -0.178 0.000 3.821 426 S HA -0.092 4.376 4.470 -0.003 0.000 0.161 426 S C 0.197 174.748 174.600 -0.082 0.000 0.337 426 S CA 1.612 59.756 58.200 -0.093 0.000 1.411 426 S CB -1.008 62.155 63.200 -0.062 0.000 1.415 426 S HN 0.664 nan 8.310 nan 0.000 0.281 427 Y N -0.110 120.180 120.300 -0.016 0.000 2.593 427 Y HA 0.480 5.029 4.550 -0.003 0.000 0.330 427 Y C 1.227 177.118 175.900 -0.014 0.000 1.223 427 Y CA -1.070 57.017 58.100 -0.020 0.000 1.350 427 Y CB 0.482 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 1.584 116.244 114.554 0.176 0.000 2.863 428 T HA 0.442 4.790 4.350 -0.003 0.000 0.299 428 T C -0.039 174.684 174.700 0.039 0.000 0.973 428 T CA -0.704 61.443 62.100 0.078 0.000 0.994 428 T CB -1.089 67.812 68.868 0.056 0.000 0.961 428 T HN 0.796 nan 8.240 nan 0.000 0.552 429 A N 3.793 126.634 122.820 0.035 0.000 2.320 429 A HA 0.313 4.631 4.320 -0.003 0.000 0.309 429 A C 1.685 179.267 177.584 -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 17.549 19.000 0.014 0.000 0.775 429 A HN 1.893 nan 8.150 nan 0.000 0.411 430 G N 0.456 109.243 108.800 -0.022 0.000 2.480 430 G HA2 -0.129 3.830 3.960 -0.003 0.000 0.193 430 G HA3 -0.129 3.830 3.960 -0.003 0.000 0.193 430 G C 0.263 175.128 174.900 -0.058 0.000 1.004 430 G CA 0.196 45.276 45.100 -0.034 0.000 0.696 430 G HN 0.955 nan 8.290 nan 0.000 0.478 431 Q N 1.386 121.139 119.800 -0.078 0.000 2.283 431 Q HA 0.355 4.693 4.340 -0.003 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 0.567 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 3.962 123.664 119.800 -0.165 0.000 2.314 432 Q HA 0.435 4.773 4.340 -0.003 0.000 0.259 432 Q C -1.265 174.631 176.000 -0.173 0.000 0.951 432 Q CA -0.590 55.127 55.803 -0.142 0.000 0.909 432 Q CB 0.709 29.398 28.738 -0.081 0.000 1.236 432 Q HN 0.422 nan 8.270 nan 0.000 0.444 433 L N 4.123 125.238 121.223 -0.180 0.000 2.319 433 L HA 0.408 4.746 4.340 -0.003 0.000 0.281 433 L C -0.025 176.812 176.870 -0.055 0.000 1.005 433 L CA -0.353 54.393 54.840 -0.157 0.000 0.828 433 L CB 1.467 43.388 42.059 -0.230 0.000 1.227 433 L HN 0.811 nan 8.230 nan 0.000 0.415 434 T N 2.589 117.140 114.554 -0.006 0.000 2.907 434 T HA 0.033 4.381 4.350 -0.003 0.000 0.298 434 T C 1.322 176.051 174.700 0.048 0.000 1.017 434 T CA -0.120 61.993 62.100 0.022 0.000 1.118 434 T CB 1.272 70.167 68.868 0.044 0.000 0.948 434 T HN 0.557 nan 8.240 nan 0.000 0.531 435 E N 2.080 122.303 120.200 0.038 0.000 2.048 435 E HA -0.143 4.205 4.350 -0.003 0.000 0.202 435 E C 0.854 177.490 176.600 0.060 0.000 1.021 435 E CA 1.808 58.236 56.400 0.047 0.000 0.825 435 E CB -0.007 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 -2.530 117.413 119.914 0.049 0.000 2.236 436 V HA -0.199 3.920 4.120 -0.003 0.000 0.340 436 V C 1.009 177.112 176.094 0.015 0.000 1.862 436 V CA 0.301 62.625 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 0.414 nan 8.190 nan 0.000 0.203 437 I N -0.427 120.142 120.570 -0.001 0.000 4.792 437 I HA -0.370 3.799 4.170 -0.003 0.000 0.050 437 I C 1.891 178.007 176.117 -0.002 0.000 0.633 437 I CA 2.861 64.159 61.300 -0.004 0.000 0.487 437 I CB -2.002 36.004 38.000 0.010 0.000 0.488 437 I HN 1.426 nan 8.210 nan 0.000 0.159 438 G N -0.520 108.285 108.800 0.009 0.000 2.484 438 G HA2 0.194 4.152 3.960 -0.003 0.000 0.218 438 G HA3 0.194 4.152 3.960 -0.003 0.000 0.218 438 G C 0.497 175.400 174.900 0.004 0.000 1.130 438 G CA 0.899 46.003 45.100 0.007 0.000 0.784 438 G HN 0.897 nan 8.290 nan 0.000 0.543 439 c N -2.707 115.897 118.600 0.007 0.000 0.168 439 c HA 0.202 4.770 4.570 -0.003 0.000 0.017 439 c C 0.007 174.103 174.090 0.009 0.000 0.171 439 c CA -0.506 55.826 56.329 0.005 0.000 0.499 439 c CB -1.428 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 0.378 114.936 114.554 0.007 0.000 3.203 440 T HA 0.193 4.542 4.350 -0.003 0.000 0.432 440 T C -0.778 173.923 174.700 0.002 0.000 1.320 440 T CA 0.158 62.262 62.100 0.006 0.000 1.016 440 T CB 0.309 69.185 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 4.850 4.350 -0.003 0.000 0.296 441 T C 0.213 174.899 174.700 -0.024 0.000 0.928 441 T CA -0.250 61.840 62.100 -0.017 0.000 1.045 441 T CB 0.200 69.055 68.868 -0.022 0.000 0.902 441 T HN 0.430 nan 8.240 nan 0.000 0.500 442 V N 6.425 126.318 119.914 -0.035 0.000 2.339 442 V HA 0.199 4.318 4.120 -0.003 0.000 0.261 442 V C 1.049 177.098 176.094 -0.076 0.000 1.058 442 V CA -0.397 61.876 62.300 -0.045 0.000 0.897 442 V CB 0.946 32.748 31.823 -0.036 0.000 1.052 442 V HN 0.933 nan 8.190 nan 0.000 0.480 443 T N 4.794 119.313 114.554 -0.059 0.000 2.775 443 T HA 0.121 4.469 4.350 -0.003 0.000 0.287 443 T C 0.638 175.296 174.700 -0.070 0.000 0.909 443 T CA 0.088 62.148 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 0.698 nan 8.240 nan 0.000 0.544 444 V N 4.020 123.872 119.914 -0.103 0.000 3.110 444 V HA 0.583 4.701 4.120 -0.003 0.000 0.368 444 V C 0.958 177.031 176.094 -0.035 0.000 1.332 444 V CA 0.127 62.381 62.300 -0.077 0.000 1.287 444 V CB -0.594 31.112 31.823 -0.194 0.000 1.277 444 V HN 0.720 nan 8.190 nan 0.000 0.502 445 G N -0.024 108.757 108.800 -0.033 0.000 2.666 445 G HA2 0.442 4.401 3.960 -0.003 0.000 0.207 445 G HA3 0.442 4.401 3.960 -0.003 0.000 0.207 445 G C 0.595 175.492 174.900 -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 -0.448 115.248 115.700 -0.006 0.000 4.157 446 S HA -0.365 4.103 4.470 -0.003 0.000 0.521 446 S C 1.547 176.147 174.600 0.001 0.000 1.858 446 S CA 2.466 60.664 58.200 -0.003 0.000 4.242 446 S CB -1.394 61.803 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 4.986 4.640 -0.003 0.000 0.218 447 D C 0.974 177.283 176.300 0.016 0.000 1.006 447 D CA 1.661 55.666 54.000 0.008 0.000 0.893 447 D CB 0.190 40.993 40.800 0.006 0.000 1.019 447 D HN 1.391 nan 8.370 nan 0.000 0.503 448 G N 0.689 109.501 108.800 0.021 0.000 2.356 448 G HA2 -0.212 3.747 3.960 -0.003 0.000 0.233 448 G HA3 -0.212 3.747 3.960 -0.003 0.000 0.233 448 G C -0.052 174.875 174.900 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 -0.089 118.634 118.700 0.038 0.000 2.536 449 N HA 0.217 4.956 4.740 -0.003 0.000 0.286 449 N C 0.899 176.429 175.510 0.034 0.000 1.577 449 N CA 0.082 53.152 53.050 0.033 0.000 0.883 449 N CB 1.711 40.207 38.487 0.016 0.000 1.390 449 N HN 1.212 nan 8.380 nan 0.000 0.491 450 V N 1.326 121.271 119.914 0.052 0.000 3.597 450 V HA -0.123 3.996 4.120 -0.003 0.000 0.272 450 V C -2.451 173.655 176.094 0.020 0.000 1.171 450 V CA -0.629 61.697 62.300 0.043 0.000 1.229 450 V CB -0.835 31.055 31.823 0.113 0.000 0.726 450 V HN 0.243 nan 8.190 nan 0.000 0.370 451 P HA 0.107 nan 4.420 nan 0.000 0.258 451 P C -0.023 177.274 177.300 -0.005 0.000 1.214 451 P CA 0.570 63.663 63.100 -0.011 0.000 0.872 451 P CB 1.069 32.758 31.700 -0.018 0.000 0.890 452 V N 6.254 126.166 119.914 -0.002 0.000 2.322 452 V HA 0.282 4.400 4.120 -0.003 0.000 0.258 452 V C -2.247 173.853 176.094 0.011 0.000 1.074 452 V CA -2.446 59.862 62.300 0.014 0.000 0.909 452 V CB 0.785 32.628 31.823 0.034 0.000 1.090 452 V HN 0.335 nan 8.190 nan 0.000 0.486 453 P HA 0.315 nan 4.420 nan 0.000 0.234 453 P C -0.363 176.976 177.300 0.065 0.000 1.799 453 P CA -0.198 62.919 63.100 0.029 0.000 1.118 453 P CB 0.424 32.135 31.700 0.019 0.000 1.827 454 M N 1.083 120.752 119.600 0.116 0.000 2.368 454 M HA 0.653 5.132 4.480 -0.003 0.000 0.311 454 M C 0.880 177.260 176.300 0.134 0.000 1.168 454 M CA -0.811 54.579 55.300 0.150 0.000 1.044 454 M CB 1.533 34.278 32.600 0.241 0.000 1.506 454 M HN 0.074 nan 8.290 nan 0.000 0.475 455 A N 0.081 122.956 122.820 0.092 0.000 2.074 455 A HA 0.577 4.896 4.320 -0.003 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 0.048 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 4.401 3.960 -0.003 0.000 0.177 456 G HA3 0.442 4.401 3.960 -0.003 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 0.231 109.047 108.800 0.028 0.000 2.864 457 G HA2 0.410 4.369 3.960 -0.003 0.000 0.223 457 G HA3 0.410 4.369 3.960 -0.003 0.000 0.223 457 G C -0.346 174.589 174.900 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 1.710 122.973 121.223 0.067 0.000 3.267 458 L HA 0.246 4.585 4.340 -0.003 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 1.198 43.292 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 -0.154 177.212 177.300 0.110 0.000 1.169 459 P CA 0.697 63.865 63.100 0.113 0.000 0.885 459 P CB 0.252 32.022 31.700 0.118 0.000 0.779 460 R N -2.091 118.473 120.500 0.106 0.000 2.073 460 R HA 0.021 4.360 4.340 -0.003 0.000 0.422 460 R C -1.729 174.640 176.300 0.114 0.000 1.156 460 R CA 0.039 56.199 56.100 0.101 0.000 0.701 460 R CB -1.663 28.697 30.300 0.099 0.000 2.352 460 R HN -0.127 nan 8.270 nan 0.000 0.552 461 V N 5.448 125.431 119.914 0.115 0.000 2.540 461 V HA 0.544 4.662 4.120 -0.003 0.000 0.302 461 V C 0.212 176.383 176.094 0.127 0.000 1.035 461 V CA -0.810 61.569 62.300 0.133 0.000 0.873 461 V CB 1.902 33.814 31.823 0.148 0.000 0.992 461 V HN 0.488 nan 8.190 nan 0.000 0.428 462 L N 4.397 125.694 121.223 0.124 0.000 2.353 462 L HA 0.483 4.821 4.340 -0.003 0.000 0.269 462 L C -0.398 176.522 176.870 0.084 0.000 1.085 462 L CA -0.354 54.548 54.840 0.103 0.000 0.938 462 L CB -0.395 41.724 42.059 0.101 0.000 1.312 462 L HN 0.549 nan 8.230 nan 0.000 0.429 463 Y N 4.553 124.898 120.300 0.075 0.000 2.544 463 Y HA 0.146 4.695 4.550 -0.003 0.000 0.330 463 Y C -1.735 174.205 175.900 0.066 0.000 1.136 463 Y CA -1.660 56.486 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 0.056 63.085 63.100 -0.120 0.000 0.765 464 P CB 1.285 32.977 31.700 -0.015 0.000 0.835 465 T N 1.659 116.202 114.554 -0.018 0.000 3.163 465 T HA -0.064 4.285 4.350 -0.003 0.000 0.260 465 T C 1.154 175.874 174.700 0.033 0.000 1.156 465 T CA 1.090 63.206 62.100 0.026 0.000 1.072 465 T CB -0.398 68.460 68.868 -0.017 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 4.478 4.350 -0.003 0.000 0.200 466 E C 1.309 177.947 176.600 0.063 0.000 0.995 466 E CA 0.209 56.629 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 0.489 120.951 120.400 0.103 0.000 2.681 467 K HA 0.345 4.664 4.320 -0.003 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 -1.416 119.921 121.223 0.190 0.000 3.016 468 L HA 0.393 4.731 4.340 -0.003 0.000 0.267 468 L C 0.999 177.918 176.870 0.081 0.000 1.182 468 L CA 0.016 54.954 54.840 0.162 0.000 0.997 468 L CB -0.022 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 1.271 124.148 122.820 0.096 0.000 5.328 469 A HA -0.343 3.976 4.320 -0.003 0.000 0.346 469 A C 1.477 179.069 177.584 0.013 0.000 1.675 469 A CA 1.699 53.769 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 0.498 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 4.445 3.960 -0.003 0.000 0.277 470 G HA3 0.486 4.445 3.960 -0.003 0.000 0.277 470 G C 0.506 175.378 174.900 -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 -0.219 115.433 115.700 -0.080 0.000 2.546 471 S HA 0.425 4.893 4.470 -0.003 0.000 0.265 471 S C 1.266 175.768 174.600 -0.164 0.000 1.190 471 S CA -0.217 57.906 58.200 -0.128 0.000 1.014 471 S CB 1.230 64.322 63.200 -0.179 0.000 1.087 471 S HN 0.196 nan 8.310 nan 0.000 0.525 472 K N -0.560 119.721 120.400 -0.199 0.000 2.822 472 K HA 0.356 4.674 4.320 -0.003 0.000 0.237 472 K C 0.800 177.246 176.600 -0.257 0.000 1.128 472 K CA 0.707 56.883 56.287 -0.186 0.000 1.317 472 K CB -0.484 31.924 32.500 -0.153 0.000 1.759 472 K HN 0.644 nan 8.250 nan 0.000 0.520 473 I N -2.234 118.170 120.570 -0.277 0.000 3.408 473 I HA -0.476 3.692 4.170 -0.003 0.000 0.237 473 I C 1.212 177.234 176.117 -0.159 0.000 2.474 473 I CA 1.288 62.418 61.300 -0.284 0.000 0.821 473 I CB -1.113 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 -0.654 117.873 118.600 -0.120 0.000 3.293 474 c HA 0.534 5.103 4.570 -0.003 0.000 0.172 474 c C 1.563 175.622 174.090 -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 43.477 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 4.662 4.470 -0.003 0.000 0.237 475 S C 0.123 174.701 174.600 -0.037 0.000 1.142 475 S CA 0.293 58.472 58.200 -0.035 0.000 1.167 475 S CB -0.108 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 1.411 121.782 120.400 -0.048 0.000 2.197 476 D HA 0.139 4.777 4.640 -0.003 0.000 0.212 476 D C 0.245 176.522 176.300 -0.038 0.000 0.963 476 D CA 1.214 55.186 54.000 -0.046 0.000 0.864 476 D CB 0.157 40.919 40.800 -0.063 0.000 1.009 476 D HN 0.358 nan 8.370 nan 0.000 0.479 477 S N -1.151 114.524 115.700 -0.041 0.000 3.898 477 S HA -0.001 4.468 4.470 -0.003 0.000 0.688 477 S C -0.675 173.905 174.600 -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 4.468 4.470 -0.003 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