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 1rgn_1_M DATA FIRST_RESID 1 DATA SEQUENCE AEYQNIFSQV QVRGPADLGM TEDVNLANRS GVGPFSTLLG WFGNAQLGPI DATA SEQUENCE YLGSLGVLSL FSGLMWFFTI GIWFWYQAGW NPAVFLRDLF FFSLEPPAPE DATA SEQUENCE YGLSFAAPLK EGGLWLIASF FMFVAVWSWW GRTYLRAQAL GMGKHTAWAF DATA SEQUENCE LSAIWLWMVL GFIRPILMGS WSEAVPYGIF SHLDWTNNFS LVHGNLFYNP DATA SEQUENCE FHGLSIAFLY GSALLFAMHG ATILAVSRFG GERELEQIAD RGTAAERAAL DATA SEQUENCE FWRWTMGFNA TMEGIHRWAI WMAVLVTLTG GIGILLSGTV VDNWYVWGQN DATA SEQUENCE HG 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 0.000 177.614 177.584 0.050 0.000 1.274 1 A CA 0.000 52.057 52.037 0.034 0.000 0.836 1 A CB 0.000 19.016 19.000 0.027 0.000 0.831 2 E N 0.906 121.131 120.200 0.041 0.000 2.105 2 E HA 0.284 4.634 4.350 0.000 0.000 0.285 2 E C -1.242 175.399 176.600 0.068 0.000 1.055 2 E CA -0.192 56.239 56.400 0.052 0.000 0.843 2 E CB 0.635 30.348 29.700 0.022 0.000 1.067 2 E HN 0.538 nan 8.360 nan 0.000 0.398 3 Y N 3.748 124.041 120.300 -0.011 0.000 2.895 3 Y HA -0.172 4.378 4.550 0.000 0.000 0.334 3 Y C 0.933 176.819 175.900 -0.024 0.000 1.261 3 Y CA 0.924 59.019 58.100 -0.008 0.000 1.560 3 Y CB 0.547 39.006 38.460 -0.002 0.000 1.253 3 Y HN 0.442 nan 8.280 nan 0.000 0.582 4 Q N 3.699 123.055 119.800 -0.740 0.000 2.317 4 Q HA 0.001 4.341 4.340 0.000 0.000 0.220 4 Q C 0.399 175.964 176.000 -0.725 0.000 0.873 4 Q CA 0.555 56.017 55.803 -0.568 0.000 0.936 4 Q CB 0.087 28.631 28.738 -0.323 0.000 1.105 4 Q HN 0.902 nan 8.270 nan 0.000 0.520 5 N N 0.098 118.022 118.700 -1.293 0.000 2.776 5 N HA -0.147 4.593 4.740 0.000 0.000 0.249 5 N C 0.267 175.568 175.510 -0.347 0.000 1.111 5 N CA 0.323 52.975 53.050 -0.663 0.000 0.711 5 N CB -0.897 37.387 38.487 -0.338 0.000 1.065 5 N HN 0.164 nan 8.380 nan 0.000 0.556 6 I N -1.425 118.917 120.570 -0.379 0.000 2.585 6 I HA 0.127 4.297 4.170 0.000 0.000 0.254 6 I C 0.662 176.478 176.117 -0.502 0.000 1.129 6 I CA 0.984 62.024 61.300 -0.434 0.000 1.455 6 I CB -0.580 37.123 38.000 -0.495 0.000 1.111 6 I HN 0.009 nan 8.210 nan 0.000 0.433 7 F N 0.329 120.368 119.950 0.149 0.000 2.522 7 F HA 0.434 4.961 4.527 0.000 0.000 0.324 7 F C 0.908 176.936 175.800 0.379 0.000 1.077 7 F CA -1.088 57.081 58.000 0.282 0.000 0.944 7 F CB 1.041 40.188 39.000 0.245 0.000 1.175 7 F HN -0.339 nan 8.300 nan 0.000 0.468 8 S N 1.185 117.246 115.700 0.600 0.000 2.564 8 S HA 0.105 4.575 4.470 0.000 0.000 0.278 8 S C 0.867 175.762 174.600 0.492 0.000 1.333 8 S CA -0.453 58.023 58.200 0.460 0.000 1.048 8 S CB 1.136 64.522 63.200 0.310 0.000 0.900 8 S HN 0.690 nan 8.310 nan 0.000 0.505 9 Q N 0.845 120.787 119.800 0.237 0.000 2.163 9 Q HA 0.099 4.439 4.340 0.000 0.000 0.198 9 Q C -0.168 175.994 176.000 0.270 0.000 0.954 9 Q CA 0.648 56.566 55.803 0.192 0.000 0.851 9 Q CB 0.213 28.898 28.738 -0.088 0.000 0.928 9 Q HN 0.488 nan 8.270 nan 0.000 0.459 10 V N 1.082 121.074 119.914 0.130 0.000 2.604 10 V HA 0.293 4.414 4.120 0.000 0.000 0.305 10 V C -0.637 175.449 176.094 -0.014 0.000 1.043 10 V CA -0.893 61.446 62.300 0.064 0.000 0.888 10 V CB 1.788 33.616 31.823 0.007 0.000 0.995 10 V HN 0.116 nan 8.190 nan 0.000 0.429 11 Q N 1.985 121.716 119.800 -0.117 0.000 2.306 11 Q HA 0.780 5.120 4.340 0.000 0.000 0.265 11 Q C -1.410 174.507 176.000 -0.138 0.000 1.022 11 Q CA -0.728 54.963 55.803 -0.187 0.000 0.853 11 Q CB 2.969 31.479 28.738 -0.380 0.000 1.327 11 Q HN 0.536 nan 8.270 nan 0.000 0.449 12 V N 2.193 122.034 119.914 -0.121 0.000 2.638 12 V HA 0.509 4.629 4.120 0.000 0.000 0.306 12 V C -0.883 175.135 176.094 -0.125 0.000 1.052 12 V CA -0.589 61.649 62.300 -0.102 0.000 0.885 12 V CB 2.110 33.892 31.823 -0.069 0.000 0.999 12 V HN 0.640 nan 8.190 nan 0.000 0.424 13 R N 2.677 123.084 120.500 -0.156 0.000 2.621 13 R HA 0.746 5.086 4.340 0.000 0.000 0.292 13 R C -0.040 176.152 176.300 -0.179 0.000 0.969 13 R CA -0.191 55.779 56.100 -0.217 0.000 0.887 13 R CB 2.073 32.151 30.300 -0.370 0.000 1.180 13 R HN 0.863 nan 8.270 nan 0.000 0.450 14 G N 2.644 111.357 108.800 -0.145 0.000 2.938 14 G HA2 0.514 4.474 3.960 0.000 0.000 0.258 14 G HA3 0.514 4.474 3.960 0.000 0.000 0.258 14 G C -2.388 172.452 174.900 -0.100 0.000 1.356 14 G CA -1.151 43.890 45.100 -0.100 0.000 1.052 14 G HN 0.451 nan 8.290 nan 0.000 0.550 15 P HA 0.364 nan 4.420 nan 0.000 0.266 15 P C 0.099 177.451 177.300 0.087 0.000 1.195 15 P CA -0.069 63.035 63.100 0.006 0.000 0.768 15 P CB 0.562 32.269 31.700 0.011 0.000 0.838 16 A N 2.338 125.270 122.820 0.188 0.000 2.584 16 A HA -0.029 4.291 4.320 0.000 0.000 0.239 16 A C 0.452 178.121 177.584 0.141 0.000 1.043 16 A CA 0.329 52.544 52.037 0.297 0.000 0.756 16 A CB -0.465 18.685 19.000 0.251 0.000 0.963 16 A HN 0.494 nan 8.150 nan 0.000 0.511 17 D N 2.581 123.058 120.400 0.128 0.000 2.336 17 D HA 0.239 4.879 4.640 0.000 0.000 0.249 17 D C 0.933 177.248 176.300 0.025 0.000 1.213 17 D CA -0.097 53.939 54.000 0.059 0.000 0.870 17 D CB 0.575 41.406 40.800 0.051 0.000 1.076 17 D HN 0.438 nan 8.370 nan 0.000 0.483 18 L N 2.704 123.938 121.223 0.019 0.000 2.509 18 L HA 0.208 4.548 4.340 0.000 0.000 0.222 18 L C 1.425 178.297 176.870 0.002 0.000 1.123 18 L CA 0.511 55.355 54.840 0.007 0.000 0.856 18 L CB -0.936 41.129 42.059 0.010 0.000 0.985 18 L HN 0.623 nan 8.230 nan 0.000 0.456 19 G N 0.208 109.009 108.800 0.001 0.000 2.728 19 G HA2 -0.200 3.760 3.960 0.000 0.000 0.294 19 G HA3 -0.200 3.760 3.960 0.000 0.000 0.294 19 G C -0.212 174.683 174.900 -0.010 0.000 1.342 19 G CA -0.702 44.394 45.100 -0.007 0.000 0.866 19 G HN -0.095 nan 8.290 nan 0.000 0.534 20 M N -0.181 119.407 119.600 -0.020 0.000 2.163 20 M HA 0.584 5.064 4.480 0.000 0.000 0.305 20 M C 0.646 176.932 176.300 -0.023 0.000 1.166 20 M CA 0.274 55.560 55.300 -0.024 0.000 1.132 20 M CB 0.400 32.979 32.600 -0.036 0.000 1.413 20 M HN 0.673 nan 8.290 nan 0.000 0.478 21 T N 1.213 115.753 114.554 -0.023 0.000 3.186 21 T HA 0.332 4.683 4.350 0.000 0.000 0.320 21 T C 0.276 174.959 174.700 -0.027 0.000 0.955 21 T CA -0.578 61.511 62.100 -0.018 0.000 1.030 21 T CB 1.811 70.675 68.868 -0.007 0.000 1.013 21 T HN 0.479 nan 8.240 nan 0.000 0.454 22 E N 1.549 121.726 120.200 -0.040 0.000 2.907 22 E HA 0.147 4.497 4.350 0.000 0.000 0.197 22 E C 0.348 176.925 176.600 -0.038 0.000 1.150 22 E CA -0.084 56.291 56.400 -0.041 0.000 1.134 22 E CB 0.373 30.039 29.700 -0.057 0.000 2.214 22 E HN 0.414 nan 8.360 nan 0.000 0.541 23 D N 1.233 121.602 120.400 -0.051 0.000 2.363 23 D HA 0.125 4.765 4.640 0.000 0.000 0.214 23 D C -0.087 176.191 176.300 -0.037 0.000 1.093 23 D CA 0.070 54.046 54.000 -0.041 0.000 0.837 23 D CB 1.306 42.079 40.800 -0.046 0.000 0.948 23 D HN -0.108 nan 8.370 nan 0.000 0.507 24 V N 2.238 122.127 119.914 -0.042 0.000 2.529 24 V HA -0.064 4.056 4.120 0.000 0.000 0.292 24 V C 0.754 176.897 176.094 0.081 0.000 1.028 24 V CA -0.480 61.808 62.300 -0.020 0.000 1.074 24 V CB 0.584 32.389 31.823 -0.031 0.000 0.958 24 V HN 0.102 nan 8.190 nan 0.000 0.481 25 N N 5.592 124.392 118.700 0.166 0.000 2.406 25 N HA 0.024 4.764 4.740 0.000 0.000 0.274 25 N C 0.657 176.269 175.510 0.169 0.000 1.249 25 N CA -0.212 52.933 53.050 0.159 0.000 0.951 25 N CB 0.534 39.112 38.487 0.151 0.000 1.241 25 N HN 0.484 nan 8.380 nan 0.000 0.485 26 L N 3.286 124.556 121.223 0.078 0.000 2.275 26 L HA 0.015 4.355 4.340 0.000 0.000 0.215 26 L C 2.096 178.949 176.870 -0.028 0.000 1.119 26 L CA 1.097 55.960 54.840 0.038 0.000 0.790 26 L CB -1.807 40.265 42.059 0.022 0.000 0.919 26 L HN 0.747 nan 8.230 nan 0.000 0.443 27 A N -0.587 122.209 122.820 -0.039 0.000 2.186 27 A HA -0.197 4.123 4.320 0.000 0.000 0.219 27 A C 1.815 179.313 177.584 -0.144 0.000 1.159 27 A CA 1.728 53.722 52.037 -0.071 0.000 0.680 27 A CB -0.701 18.268 19.000 -0.051 0.000 0.787 27 A HN 0.625 nan 8.150 nan 0.000 0.467 28 N N -1.813 116.733 118.700 -0.257 0.000 2.171 28 N HA 0.131 4.871 4.740 0.000 0.000 0.212 28 N C 0.024 175.186 175.510 -0.580 0.000 1.184 28 N CA -0.283 52.466 53.050 -0.501 0.000 0.888 28 N CB 0.570 38.532 38.487 -0.877 0.000 1.038 28 N HN 0.276 nan 8.380 nan 0.000 0.517 29 R N 1.306 121.631 120.500 -0.291 0.000 2.441 29 R HA 0.215 4.555 4.340 0.000 0.000 0.284 29 R C 0.713 176.948 176.300 -0.108 0.000 1.070 29 R CA -0.227 55.791 56.100 -0.136 0.000 1.047 29 R CB 1.019 31.317 30.300 -0.002 0.000 1.016 29 R HN 0.142 nan 8.270 nan 0.000 0.477 30 S N 1.107 116.759 115.700 -0.080 0.000 2.632 30 S HA 0.242 4.712 4.470 0.000 0.000 0.254 30 S C 0.655 175.230 174.600 -0.042 0.000 1.291 30 S CA -0.533 57.632 58.200 -0.058 0.000 0.974 30 S CB 0.601 63.774 63.200 -0.045 0.000 1.016 30 S HN 0.642 nan 8.310 nan 0.000 0.579 31 G N -0.980 107.798 108.800 -0.037 0.000 2.504 31 G HA2 0.484 4.444 3.960 0.000 0.000 0.288 31 G HA3 0.484 4.444 3.960 0.000 0.000 0.288 31 G C -0.409 174.465 174.900 -0.043 0.000 1.182 31 G CA -0.795 44.286 45.100 -0.031 0.000 0.894 31 G HN 0.816 nan 8.290 nan 0.000 0.521 32 V N 0.613 120.498 119.914 -0.049 0.000 2.788 32 V HA 0.415 4.535 4.120 0.000 0.000 0.307 32 V C 1.300 177.332 176.094 -0.104 0.000 1.069 32 V CA 1.179 63.421 62.300 -0.096 0.000 1.173 32 V CB 0.822 32.585 31.823 -0.101 0.000 0.925 32 V HN 0.974 nan 8.190 nan 0.000 0.492 33 G N 6.291 115.000 108.800 -0.151 0.000 2.702 33 G HA2 0.614 4.574 3.960 0.000 0.000 0.254 33 G HA3 0.614 4.574 3.960 0.000 0.000 0.254 33 G C -2.594 172.196 174.900 -0.183 0.000 1.380 33 G CA -0.971 44.055 45.100 -0.123 0.000 1.042 33 G HN 0.664 nan 8.290 nan 0.000 0.557 34 P HA 0.228 nan 4.420 nan 0.000 0.271 34 P C -1.095 176.117 177.300 -0.148 0.000 1.233 34 P CA -0.072 63.001 63.100 -0.045 0.000 0.789 34 P CB 0.637 32.339 31.700 0.004 0.000 0.951 35 F N -0.374 119.565 119.950 -0.017 0.000 2.397 35 F HA 0.346 4.873 4.527 0.000 0.000 0.331 35 F C 1.293 177.077 175.800 -0.027 0.000 1.090 35 F CA -0.022 57.962 58.000 -0.026 0.000 1.065 35 F CB 1.362 40.340 39.000 -0.038 0.000 1.184 35 F HN 0.123 nan 8.300 nan 0.000 0.499 36 S N 1.116 116.908 115.700 0.154 0.000 2.669 36 S HA 0.228 4.698 4.470 0.000 0.000 0.315 36 S C 0.678 175.298 174.600 0.032 0.000 1.106 36 S CA -0.553 57.693 58.200 0.077 0.000 1.107 36 S CB 0.877 64.106 63.200 0.050 0.000 0.990 36 S HN 0.725 nan 8.310 nan 0.000 0.471 37 T N 5.294 119.843 114.554 -0.009 0.000 2.720 37 T HA -0.135 4.215 4.350 0.000 0.000 0.268 37 T C 1.773 176.381 174.700 -0.153 0.000 1.037 37 T CA 1.746 63.763 62.100 -0.138 0.000 1.144 37 T CB -0.370 68.450 68.868 -0.079 0.000 0.864 37 T HN 0.564 nan 8.240 nan 0.000 0.444 38 L N 1.018 122.275 121.223 0.058 0.000 1.956 38 L HA -0.075 4.265 4.340 0.000 0.000 0.216 38 L C 2.269 179.246 176.870 0.178 0.000 1.073 38 L CA 1.742 56.700 54.840 0.196 0.000 0.762 38 L CB -0.754 41.389 42.059 0.140 0.000 0.889 38 L HN 0.263 nan 8.230 nan 0.000 0.433 39 L N -0.802 120.487 121.223 0.110 0.000 2.079 39 L HA -0.190 4.150 4.340 0.000 0.000 0.210 39 L C 2.465 179.424 176.870 0.149 0.000 1.081 39 L CA 1.317 56.244 54.840 0.145 0.000 0.752 39 L CB -1.408 40.714 42.059 0.104 0.000 0.896 39 L HN 0.543 nan 8.230 nan 0.000 0.433 40 G N -0.832 107.968 108.800 -0.000 0.000 2.479 40 G HA2 -0.263 3.697 3.960 0.000 0.000 0.220 40 G HA3 -0.263 3.697 3.960 0.000 0.000 0.220 40 G C 1.092 175.940 174.900 -0.087 0.000 1.115 40 G CA 0.246 45.290 45.100 -0.094 0.000 0.757 40 G HN 0.455 nan 8.290 nan 0.000 0.560 41 W N -1.325 120.076 121.300 0.168 0.000 2.421 41 W HA 0.190 4.850 4.660 0.000 0.000 0.270 41 W C 1.887 178.668 176.519 0.437 0.000 1.233 41 W CA -0.102 57.380 57.345 0.228 0.000 1.226 41 W CB -0.130 29.388 29.460 0.097 0.000 1.121 41 W HN 0.189 nan 8.180 nan 0.000 0.579 42 F N -1.269 118.912 119.950 0.386 0.000 2.495 42 F HA 0.429 4.956 4.527 0.000 0.000 0.272 42 F C 1.646 177.547 175.800 0.168 0.000 0.919 42 F CA 1.243 59.440 58.000 0.328 0.000 1.178 42 F CB -0.370 38.822 39.000 0.321 0.000 1.030 42 F HN -0.253 nan 8.300 nan 0.000 0.777 43 G N -0.398 108.538 108.800 0.226 0.000 3.302 43 G HA2 0.213 4.173 3.960 0.000 0.000 0.170 43 G HA3 0.213 4.173 3.960 0.000 0.000 0.170 43 G C -1.074 173.872 174.900 0.076 0.000 1.119 43 G CA -0.590 44.553 45.100 0.072 0.000 0.826 43 G HN -0.015 nan 8.290 nan 0.000 0.646 44 N N 0.386 119.125 118.700 0.066 0.000 2.524 44 N HA 0.476 5.216 4.740 0.000 0.000 0.283 44 N C 0.869 176.420 175.510 0.069 0.000 1.142 44 N CA 0.295 53.379 53.050 0.057 0.000 0.984 44 N CB 1.825 40.337 38.487 0.041 0.000 1.155 44 N HN 0.466 nan 8.380 nan 0.000 0.467 45 A N 1.442 124.319 122.820 0.095 0.000 2.063 45 A HA -0.006 4.314 4.320 0.000 0.000 0.211 45 A C 0.899 178.553 177.584 0.117 0.000 1.177 45 A CA 0.282 52.396 52.037 0.129 0.000 0.759 45 A CB -0.132 18.960 19.000 0.152 0.000 0.857 45 A HN 0.736 nan 8.150 nan 0.000 0.468 46 Q N 0.281 120.108 119.800 0.045 0.000 2.337 46 Q HA 0.415 4.755 4.340 0.000 0.000 0.270 46 Q C -1.415 174.399 176.000 -0.310 0.000 1.002 46 Q CA -0.023 55.506 55.803 -0.456 0.000 0.888 46 Q CB 0.379 28.916 28.738 -0.336 0.000 1.222 46 Q HN 0.406 nan 8.270 nan 0.000 0.400 47 L N 3.692 124.675 121.223 -0.400 0.000 2.325 47 L HA 0.675 5.015 4.340 0.000 0.000 0.278 47 L C 0.427 177.156 176.870 -0.234 0.000 1.023 47 L CA 0.454 55.156 54.840 -0.230 0.000 0.811 47 L CB 1.841 43.800 42.059 -0.165 0.000 1.249 47 L HN 0.964 nan 8.230 nan 0.000 0.431 48 G N 2.931 111.648 108.800 -0.139 0.000 2.855 48 G HA2 -0.140 3.820 3.960 0.000 0.000 0.352 48 G HA3 -0.140 3.820 3.960 0.000 0.000 0.352 48 G C -2.908 171.931 174.900 -0.101 0.000 1.415 48 G CA -0.870 44.169 45.100 -0.103 0.000 0.871 48 G HN 0.484 nan 8.290 nan 0.000 0.543 49 P HA 0.544 nan 4.420 nan 0.000 0.276 49 P C -0.197 177.095 177.300 -0.014 0.000 1.244 49 P CA -0.512 62.564 63.100 -0.040 0.000 0.801 49 P CB 1.241 32.926 31.700 -0.025 0.000 1.006 50 I N 1.393 121.961 120.570 -0.004 0.000 2.499 50 I HA 0.234 4.404 4.170 0.000 0.000 0.296 50 I C -0.539 175.608 176.117 0.050 0.000 0.992 50 I CA -1.013 60.304 61.300 0.028 0.000 1.297 50 I CB 0.708 38.724 38.000 0.027 0.000 1.410 50 I HN 0.215 nan 8.210 nan 0.000 0.507 51 Y N 8.013 128.282 120.300 -0.052 0.000 2.751 51 Y HA 0.331 4.881 4.550 0.000 0.000 0.333 51 Y C -0.278 175.590 175.900 -0.054 0.000 1.122 51 Y CA -0.397 57.667 58.100 -0.060 0.000 1.367 51 Y CB 0.086 38.495 38.460 -0.086 0.000 1.242 51 Y HN 0.458 nan 8.280 nan 0.000 0.505 52 L N 3.818 124.961 121.223 -0.134 0.000 2.456 52 L HA 0.478 4.818 4.340 0.000 0.000 0.246 52 L C 0.767 177.494 176.870 -0.238 0.000 1.238 52 L CA 1.092 55.874 54.840 -0.096 0.000 0.826 52 L CB 0.586 42.600 42.059 -0.074 0.000 1.150 52 L HN 0.814 nan 8.230 nan 0.000 0.514 53 G N -0.729 108.014 108.800 -0.094 0.000 2.393 53 G HA2 0.132 4.092 3.960 0.000 0.000 0.264 53 G HA3 0.132 4.092 3.960 0.000 0.000 0.264 53 G C 0.146 175.049 174.900 0.006 0.000 1.221 53 G CA 0.413 45.480 45.100 -0.054 0.000 0.912 53 G HN 0.616 nan 8.290 nan 0.000 0.483 54 S N -1.029 114.692 115.700 0.035 0.000 2.421 54 S HA 0.135 4.605 4.470 0.000 0.000 0.224 54 S C 2.170 176.803 174.600 0.054 0.000 1.035 54 S CA 1.372 59.592 58.200 0.034 0.000 0.953 54 S CB -0.087 63.131 63.200 0.030 0.000 0.810 54 S HN 0.336 nan 8.310 nan 0.000 0.497 55 L N 2.382 123.638 121.223 0.054 0.000 2.131 55 L HA 0.321 4.661 4.340 0.000 0.000 0.206 55 L C 2.654 179.571 176.870 0.079 0.000 1.087 55 L CA 1.450 56.325 54.840 0.058 0.000 0.767 55 L CB -1.489 40.577 42.059 0.010 0.000 0.917 55 L HN 0.491 nan 8.230 nan 0.000 0.441 56 G N -1.213 107.623 108.800 0.060 0.000 2.459 56 G HA2 -0.251 3.709 3.960 0.000 0.000 0.217 56 G HA3 -0.251 3.709 3.960 0.000 0.000 0.217 56 G C 1.788 176.778 174.900 0.148 0.000 1.183 56 G CA 1.048 46.212 45.100 0.108 0.000 0.776 56 G HN 0.262 nan 8.290 nan 0.000 0.552 57 V N 0.388 120.364 119.914 0.103 0.000 2.343 57 V HA -0.118 4.002 4.120 0.000 0.000 0.247 57 V C 2.726 178.916 176.094 0.161 0.000 1.051 57 V CA 2.126 64.493 62.300 0.111 0.000 1.036 57 V CB -0.249 31.607 31.823 0.056 0.000 0.654 57 V HN 0.326 nan 8.190 nan 0.000 0.451 58 L N 0.250 121.561 121.223 0.146 0.000 1.970 58 L HA -0.146 4.194 4.340 0.000 0.000 0.212 58 L C 2.729 179.749 176.870 0.250 0.000 1.071 58 L CA 2.760 57.711 54.840 0.184 0.000 0.751 58 L CB -1.256 40.891 42.059 0.148 0.000 0.889 58 L HN 0.447 nan 8.230 nan 0.000 0.432 59 S N -0.928 114.916 115.700 0.239 0.000 2.353 59 S HA -0.225 4.245 4.470 0.000 0.000 0.222 59 S C 2.147 176.863 174.600 0.194 0.000 1.035 59 S CA 1.814 60.167 58.200 0.254 0.000 1.025 59 S CB -0.589 62.864 63.200 0.421 0.000 0.902 59 S HN 0.486 nan 8.310 nan 0.000 0.440 60 L N -0.254 121.091 121.223 0.204 0.000 2.042 60 L HA -0.088 4.252 4.340 0.000 0.000 0.210 60 L C 2.307 179.257 176.870 0.133 0.000 1.076 60 L CA 2.141 57.058 54.840 0.127 0.000 0.749 60 L CB -0.535 41.611 42.059 0.145 0.000 0.893 60 L HN 0.519 nan 8.230 nan 0.000 0.432 61 F N 0.495 120.491 119.950 0.076 0.000 2.102 61 F HA -0.255 4.272 4.527 0.000 0.000 0.298 61 F C 2.659 178.490 175.800 0.053 0.000 1.105 61 F CA 1.915 59.958 58.000 0.071 0.000 1.239 61 F CB -0.261 38.788 39.000 0.082 0.000 0.991 61 F HN 0.131 nan 8.300 nan 0.000 0.474 62 S N 0.277 116.096 115.700 0.199 0.000 2.368 62 S HA -0.073 4.397 4.470 0.000 0.000 0.224 62 S C 2.404 177.001 174.600 -0.006 0.000 1.029 62 S CA 0.824 59.088 58.200 0.107 0.000 0.988 62 S CB -1.682 61.702 63.200 0.306 0.000 0.838 62 S HN 0.539 nan 8.310 nan 0.000 0.462 63 G N 2.558 111.366 108.800 0.013 0.000 2.491 63 G HA2 -0.182 3.778 3.960 0.000 0.000 0.218 63 G HA3 -0.182 3.778 3.960 0.000 0.000 0.218 63 G C 1.394 176.302 174.900 0.014 0.000 1.180 63 G CA 1.157 46.265 45.100 0.014 0.000 0.774 63 G HN 0.488 nan 8.290 nan 0.000 0.562 64 L N -0.246 120.910 121.223 -0.110 0.000 2.093 64 L HA -0.036 4.304 4.340 0.000 0.000 0.208 64 L C 3.057 179.851 176.870 -0.127 0.000 1.085 64 L CA 0.617 55.367 54.840 -0.151 0.000 0.755 64 L CB -0.327 41.718 42.059 -0.024 0.000 0.904 64 L HN 0.131 nan 8.230 nan 0.000 0.435 65 M N -1.267 118.115 119.600 -0.363 0.000 2.213 65 M HA -0.238 4.242 4.480 0.000 0.000 0.263 65 M C 2.083 178.109 176.300 -0.458 0.000 1.062 65 M CA 1.679 56.578 55.300 -0.668 0.000 1.105 65 M CB -1.033 30.665 32.600 -1.503 0.000 1.385 65 M HN 0.483 nan 8.290 nan 0.000 0.417 66 W N 0.082 121.156 121.300 -0.375 0.000 2.441 66 W HA -0.190 4.470 4.660 0.000 0.000 0.302 66 W C 2.098 178.485 176.519 -0.221 0.000 1.191 66 W CA 0.866 58.090 57.345 -0.201 0.000 1.327 66 W CB -0.880 28.489 29.460 -0.152 0.000 1.128 66 W HN 0.159 nan 8.180 nan 0.000 0.522 67 F N -0.224 119.393 119.950 -0.556 0.000 2.293 67 F HA -0.067 4.460 4.527 0.000 0.000 0.300 67 F C 1.573 176.964 175.800 -0.682 0.000 1.086 67 F CA 1.555 59.044 58.000 -0.852 0.000 1.375 67 F CB -0.552 38.008 39.000 -0.733 0.000 1.045 67 F HN -0.180 nan 8.300 nan 0.000 0.516 68 F N -0.363 119.408 119.950 -0.298 0.000 2.569 68 F HA 0.022 4.549 4.527 0.000 0.000 0.295 68 F C 2.390 178.053 175.800 -0.228 0.000 1.115 68 F CA 1.049 58.890 58.000 -0.265 0.000 1.450 68 F CB -1.246 37.666 39.000 -0.147 0.000 1.107 68 F HN -0.202 nan 8.300 nan 0.000 0.563 69 T N 0.742 115.249 114.554 -0.078 0.000 2.746 69 T HA -0.140 4.210 4.350 0.000 0.000 0.267 69 T C 2.193 176.833 174.700 -0.099 0.000 1.039 69 T CA 1.488 63.570 62.100 -0.030 0.000 1.142 69 T CB -0.388 68.496 68.868 0.027 0.000 0.866 69 T HN 0.145 nan 8.240 nan 0.000 0.444 70 I N 1.151 121.502 120.570 -0.365 0.000 2.202 70 I HA -0.057 4.113 4.170 0.000 0.000 0.242 70 I C 2.904 178.667 176.117 -0.591 0.000 1.091 70 I CA 1.293 62.286 61.300 -0.512 0.000 1.368 70 I CB -0.658 36.819 38.000 -0.873 0.000 1.058 70 I HN 0.301 nan 8.210 nan 0.000 0.410 71 G N 0.960 109.429 108.800 -0.551 0.000 2.408 71 G HA2 -0.176 3.784 3.960 0.000 0.000 0.217 71 G HA3 -0.176 3.784 3.960 0.000 0.000 0.217 71 G C 1.683 176.706 174.900 0.204 0.000 1.150 71 G CA 0.202 45.144 45.100 -0.262 0.000 0.776 71 G HN 0.174 nan 8.290 nan 0.000 0.542 72 I N 0.125 120.817 120.570 0.203 0.000 2.163 72 I HA -0.143 4.027 4.170 0.000 0.000 0.243 72 I C 2.390 178.670 176.117 0.272 0.000 1.085 72 I CA 1.169 62.645 61.300 0.294 0.000 1.347 72 I CB -0.676 37.470 38.000 0.243 0.000 1.044 72 I HN 0.475 nan 8.210 nan 0.000 0.408 73 W N 0.784 122.115 121.300 0.052 0.000 2.363 73 W HA -0.296 4.364 4.660 0.000 0.000 0.296 73 W C 2.346 178.942 176.519 0.128 0.000 1.212 73 W CA 1.022 58.415 57.345 0.080 0.000 1.260 73 W CB -0.400 29.109 29.460 0.082 0.000 1.131 73 W HN 0.040 nan 8.180 nan 0.000 0.530 74 F N -0.376 119.466 119.950 -0.180 0.000 2.075 74 F HA -0.144 4.384 4.527 0.000 0.000 0.297 74 F C 2.175 177.494 175.800 -0.802 0.000 1.113 74 F CA 1.117 58.708 58.000 -0.681 0.000 1.218 74 F CB -1.757 36.960 39.000 -0.472 0.000 0.984 74 F HN -0.101 nan 8.300 nan 0.000 0.472 75 W N -1.015 120.220 121.300 -0.108 0.000 2.321 75 W HA -0.298 4.362 4.660 0.000 0.000 0.306 75 W C 2.686 178.605 176.519 -1.000 0.000 1.217 75 W CA 1.915 59.080 57.345 -0.300 0.000 1.257 75 W CB -1.045 28.302 29.460 -0.189 0.000 1.145 75 W HN 0.118 nan 8.180 nan 0.000 0.509 76 Y N 0.841 120.536 120.300 -1.008 0.000 2.181 76 Y HA -0.290 4.260 4.550 0.000 0.000 0.288 76 Y C 2.398 177.733 175.900 -0.940 0.000 1.146 76 Y CA 2.174 59.514 58.100 -1.267 0.000 1.164 76 Y CB -0.622 37.405 38.460 -0.722 0.000 0.982 76 Y HN -0.014 nan 8.280 nan 0.000 0.515 77 Q N -0.346 118.960 119.800 -0.822 0.000 2.224 77 Q HA -0.081 4.259 4.340 0.000 0.000 0.203 77 Q C 2.074 177.743 176.000 -0.552 0.000 0.970 77 Q CA 0.847 56.214 55.803 -0.727 0.000 0.865 77 Q CB -0.153 28.136 28.738 -0.750 0.000 0.922 77 Q HN 0.603 nan 8.270 nan 0.000 0.445 78 A N 0.013 122.451 122.820 -0.638 0.000 2.235 78 A HA 0.211 4.531 4.320 0.000 0.000 0.208 78 A C 1.363 178.812 177.584 -0.224 0.000 1.172 78 A CA 0.659 52.557 52.037 -0.232 0.000 0.786 78 A CB -0.532 18.411 19.000 -0.096 0.000 0.804 78 A HN 0.422 nan 8.150 nan 0.000 0.479 79 G N -2.150 106.370 108.800 -0.467 0.000 2.305 79 G HA2 -0.312 3.648 3.960 0.000 0.000 0.287 79 G HA3 -0.312 3.648 3.960 0.000 0.000 0.287 79 G C 0.357 175.201 174.900 -0.093 0.000 1.036 79 G CA 0.401 45.285 45.100 -0.360 0.000 0.887 79 G HN 1.155 nan 8.290 nan 0.000 0.505 80 W N -2.727 118.618 121.300 0.075 0.000 2.323 80 W HA -0.222 4.439 4.660 0.000 0.000 0.261 80 W C 0.795 177.476 176.519 0.269 0.000 1.029 80 W CA 0.409 57.873 57.345 0.198 0.000 0.499 80 W CB -1.841 27.647 29.460 0.045 0.000 2.045 80 W HN 0.670 nan 8.180 nan 0.000 1.374 81 N N 2.002 120.895 118.700 0.321 0.000 2.420 81 N HA 0.168 4.908 4.740 0.000 0.000 0.249 81 N C -0.667 175.025 175.510 0.304 0.000 1.033 81 N CA -1.697 51.512 53.050 0.264 0.000 0.944 81 N CB 1.267 39.839 38.487 0.141 0.000 1.113 81 N HN -0.141 nan 8.380 nan 0.000 0.502 82 P HA -0.067 nan 4.420 nan 0.000 0.223 82 P C 0.858 178.264 177.300 0.177 0.000 1.151 82 P CA 0.679 63.966 63.100 0.311 0.000 0.787 82 P CB 0.307 32.234 31.700 0.379 0.000 0.788 83 A N 0.572 123.472 122.820 0.134 0.000 1.835 83 A HA -0.137 4.183 4.320 0.000 0.000 0.215 83 A C 2.466 180.076 177.584 0.043 0.000 1.199 83 A CA 2.022 54.103 52.037 0.073 0.000 0.615 83 A CB -1.692 17.337 19.000 0.048 0.000 0.838 83 A HN 0.032 nan 8.150 nan 0.000 0.444 84 V N -0.907 119.033 119.914 0.043 0.000 2.453 84 V HA -0.295 3.825 4.120 0.000 0.000 0.252 84 V C 2.257 178.376 176.094 0.042 0.000 1.068 84 V CA 2.351 64.657 62.300 0.010 0.000 1.070 84 V CB -0.968 30.873 31.823 0.030 0.000 0.664 84 V HN 0.625 nan 8.190 nan 0.000 0.461 85 F N -0.357 119.537 119.950 -0.094 0.000 2.060 85 F HA -0.154 4.373 4.527 0.000 0.000 0.295 85 F C 2.224 177.942 175.800 -0.136 0.000 1.120 85 F CA 1.635 59.542 58.000 -0.154 0.000 1.205 85 F CB -0.259 38.292 39.000 -0.748 0.000 0.986 85 F HN -0.032 nan 8.300 nan 0.000 0.470 86 L N 0.995 122.286 121.223 0.113 0.000 2.051 86 L HA -0.283 4.057 4.340 0.000 0.000 0.214 86 L C 2.627 179.368 176.870 -0.214 0.000 1.076 86 L CA 2.141 56.964 54.840 -0.028 0.000 0.758 86 L CB -1.353 40.732 42.059 0.044 0.000 0.890 86 L HN 0.323 nan 8.230 nan 0.000 0.433 87 R N -0.193 120.189 120.500 -0.197 0.000 2.066 87 R HA -0.148 4.192 4.340 0.000 0.000 0.232 87 R C 0.745 176.789 176.300 -0.427 0.000 1.131 87 R CA 1.743 57.684 56.100 -0.265 0.000 0.955 87 R CB 0.065 30.238 30.300 -0.211 0.000 0.851 87 R HN 0.283 nan 8.270 nan 0.000 0.432 88 D N 0.426 120.476 120.400 -0.583 0.000 2.427 88 D HA 0.009 4.649 4.640 0.000 0.000 0.224 88 D C 1.064 176.685 176.300 -1.131 0.000 1.157 88 D CA -0.093 53.371 54.000 -0.894 0.000 0.828 88 D CB 0.518 40.632 40.800 -1.143 0.000 0.974 88 D HN 0.109 nan 8.370 nan 0.000 0.498 89 L N 0.052 120.815 121.223 -0.767 0.000 2.129 89 L HA -0.161 4.179 4.340 0.000 0.000 0.212 89 L C 1.144 177.890 176.870 -0.207 0.000 1.087 89 L CA 1.634 56.150 54.840 -0.541 0.000 0.757 89 L CB -0.289 41.545 42.059 -0.375 0.000 0.896 89 L HN 0.019 nan 8.230 nan 0.000 0.434 90 F N -2.724 116.913 119.950 -0.522 0.000 2.749 90 F HA 0.168 4.695 4.527 0.000 0.000 0.300 90 F C 1.773 177.172 175.800 -0.669 0.000 1.103 90 F CA -0.314 57.225 58.000 -0.768 0.000 1.342 90 F CB -1.138 36.921 39.000 -1.569 0.000 1.098 90 F HN 0.013 nan 8.300 nan 0.000 0.586 91 F N -1.478 118.220 119.950 -0.420 0.000 2.698 91 F HA 0.105 4.632 4.527 0.000 0.000 0.295 91 F C 0.852 176.507 175.800 -0.241 0.000 1.124 91 F CA -0.295 57.573 58.000 -0.220 0.000 1.426 91 F CB -0.272 38.579 39.000 -0.249 0.000 1.120 91 F HN -0.318 nan 8.300 nan 0.000 0.583 92 F N 0.515 120.316 119.950 -0.247 0.000 2.485 92 F HA 0.372 4.899 4.527 0.000 0.000 0.327 92 F C 0.666 176.305 175.800 -0.269 0.000 1.203 92 F CA -0.765 56.933 58.000 -0.503 0.000 1.295 92 F CB 0.373 38.470 39.000 -1.505 0.000 1.191 92 F HN -0.384 nan 8.300 nan 0.000 0.588 93 S N 1.334 117.250 115.700 0.359 0.000 2.570 93 S HA 0.431 4.901 4.470 0.000 0.000 0.286 93 S C -1.899 173.130 174.600 0.714 0.000 1.143 93 S CA -0.694 57.835 58.200 0.549 0.000 0.921 93 S CB 0.719 64.139 63.200 0.367 0.000 1.108 93 S HN 0.532 nan 8.310 nan 0.000 0.456 94 L N 5.116 126.722 121.223 0.639 0.000 2.259 94 L HA 0.584 4.924 4.340 0.000 0.000 0.288 94 L C -0.366 176.684 176.870 0.300 0.000 1.051 94 L CA 0.318 55.344 54.840 0.310 0.000 0.824 94 L CB 0.554 42.785 42.059 0.287 0.000 1.206 94 L HN 0.593 nan 8.230 nan 0.000 0.429 95 E N 6.945 127.217 120.200 0.119 0.000 2.191 95 E HA 0.439 4.789 4.350 0.000 0.000 0.278 95 E C -2.427 174.044 176.600 -0.216 0.000 0.972 95 E CA -1.886 54.512 56.400 -0.003 0.000 0.804 95 E CB 1.045 30.776 29.700 0.052 0.000 1.110 95 E HN 0.440 nan 8.360 nan 0.000 0.394 96 P HA 0.076 nan 4.420 nan 0.000 0.272 96 P C -2.406 174.686 177.300 -0.347 0.000 1.254 96 P CA -1.048 61.448 63.100 -1.008 0.000 0.795 96 P CB -0.720 30.011 31.700 -1.613 0.000 1.022 97 P HA 0.035 nan 4.420 nan 0.000 0.269 97 P C -0.104 177.242 177.300 0.077 0.000 1.215 97 P CA 0.151 63.245 63.100 -0.010 0.000 0.780 97 P CB 0.187 31.911 31.700 0.039 0.000 0.898 98 A N 4.409 127.353 122.820 0.207 0.000 2.475 98 A HA 0.129 4.449 4.320 0.000 0.000 0.239 98 A C -1.102 176.554 177.584 0.120 0.000 1.087 98 A CA -0.605 51.524 52.037 0.153 0.000 0.779 98 A CB -1.477 17.618 19.000 0.159 0.000 1.036 98 A HN 0.406 nan 8.150 nan 0.000 0.506 99 P HA -0.162 nan 4.420 nan 0.000 0.218 99 P C 0.640 177.916 177.300 -0.040 0.000 1.146 99 P CA 1.784 64.879 63.100 -0.008 0.000 0.813 99 P CB -0.008 31.674 31.700 -0.030 0.000 0.778 100 E N -2.290 117.852 120.200 -0.098 0.000 2.418 100 E HA -0.142 4.209 4.350 0.000 0.000 0.197 100 E C 0.786 177.208 176.600 -0.297 0.000 1.026 100 E CA 0.784 57.043 56.400 -0.234 0.000 0.862 100 E CB -0.529 28.953 29.700 -0.363 0.000 0.799 100 E HN 0.442 nan 8.360 nan 0.000 0.518 101 Y N 0.244 120.538 120.300 -0.009 0.000 2.458 101 Y HA 0.235 4.785 4.550 0.000 0.000 0.256 101 Y C 1.722 177.598 175.900 -0.039 0.000 1.159 101 Y CA 0.118 58.220 58.100 0.003 0.000 1.261 101 Y CB 0.261 38.748 38.460 0.045 0.000 1.119 101 Y HN 0.094 nan 8.280 nan 0.000 0.524 102 G N 1.138 109.950 108.800 0.019 0.000 2.672 102 G HA2 -0.362 3.598 3.960 0.000 0.000 0.324 102 G HA3 -0.362 3.598 3.960 0.000 0.000 0.324 102 G C 0.692 175.430 174.900 -0.269 0.000 1.286 102 G CA 0.785 45.817 45.100 -0.114 0.000 1.004 102 G HN 0.291 nan 8.290 nan 0.000 0.548 103 L N 1.968 122.959 121.223 -0.387 0.000 2.685 103 L HA 0.335 4.675 4.340 0.000 0.000 0.233 103 L C 1.814 178.486 176.870 -0.329 0.000 1.173 103 L CA 0.471 54.856 54.840 -0.759 0.000 0.961 103 L CB -0.136 41.486 42.059 -0.729 0.000 1.217 103 L HN 0.664 nan 8.230 nan 0.000 0.478 104 S N -0.715 114.934 115.700 -0.084 0.000 2.634 104 S HA 0.235 4.705 4.470 0.000 0.000 0.261 104 S C 0.160 174.721 174.600 -0.066 0.000 1.271 104 S CA -0.225 57.990 58.200 0.026 0.000 0.985 104 S CB 0.502 63.789 63.200 0.145 0.000 0.968 104 S HN 0.177 nan 8.310 nan 0.000 0.568 105 F N -0.107 119.968 119.950 0.208 0.000 2.772 105 F HA 0.486 5.013 4.527 0.000 0.000 0.302 105 F C 1.763 177.584 175.800 0.035 0.000 1.136 105 F CA -0.348 57.721 58.000 0.114 0.000 1.322 105 F CB -0.337 38.703 39.000 0.066 0.000 0.967 105 F HN 0.727 nan 8.300 nan 0.000 0.513 106 A N 0.328 123.250 122.820 0.171 0.000 2.168 106 A HA 0.419 4.739 4.320 0.000 0.000 0.215 106 A C 1.461 179.012 177.584 -0.054 0.000 1.152 106 A CA 0.718 52.830 52.037 0.126 0.000 0.716 106 A CB -0.443 18.705 19.000 0.247 0.000 0.794 106 A HN 0.263 nan 8.150 nan 0.000 0.465 107 A N 0.370 122.987 122.820 -0.337 0.000 2.303 107 A HA 0.635 4.955 4.320 0.000 0.000 0.317 107 A C -2.431 174.980 177.584 -0.288 0.000 1.149 107 A CA -1.707 49.891 52.037 -0.732 0.000 0.822 107 A CB -0.009 18.134 19.000 -1.427 0.000 1.131 107 A HN 0.181 nan 8.150 nan 0.000 0.493 108 P HA -0.012 nan 4.420 nan 0.000 0.270 108 P C 1.044 178.307 177.300 -0.063 0.000 1.221 108 P CA -0.461 62.604 63.100 -0.059 0.000 0.788 108 P CB 0.372 32.073 31.700 0.003 0.000 0.904 109 L N -0.121 121.088 121.223 -0.023 0.000 1.989 109 L HA -0.131 4.209 4.340 0.000 0.000 0.211 109 L C 1.198 178.006 176.870 -0.104 0.000 1.071 109 L CA 2.035 56.857 54.840 -0.030 0.000 0.749 109 L CB -1.173 40.896 42.059 0.016 0.000 0.890 109 L HN 0.475 nan 8.230 nan 0.000 0.431 110 K N 0.531 120.896 120.400 -0.059 0.000 2.187 110 K HA 0.001 4.321 4.320 0.000 0.000 0.247 110 K C 0.419 176.957 176.600 -0.103 0.000 1.019 110 K CA -0.250 55.969 56.287 -0.113 0.000 0.893 110 K CB 0.167 32.778 32.500 0.185 0.000 1.025 110 K HN 0.200 nan 8.250 nan 0.000 0.500 111 E N -0.840 119.302 120.200 -0.096 0.000 2.722 111 E HA -0.305 4.045 4.350 0.000 0.000 0.265 111 E C 0.641 177.191 176.600 -0.083 0.000 1.081 111 E CA 0.374 56.760 56.400 -0.023 0.000 0.781 111 E CB -1.775 27.961 29.700 0.060 0.000 1.372 111 E HN 1.079 nan 8.360 nan 0.000 0.423 112 G N -1.635 107.089 108.800 -0.127 0.000 3.288 112 G HA2 -0.197 3.763 3.960 0.000 0.000 0.195 112 G HA3 -0.197 3.763 3.960 0.000 0.000 0.195 112 G C 0.978 175.886 174.900 0.014 0.000 1.093 112 G CA 0.266 45.328 45.100 -0.064 0.000 0.852 112 G HN 0.571 nan 8.290 nan 0.000 0.453 113 G N 1.143 109.916 108.800 -0.045 0.000 2.446 113 G HA2 -0.075 3.885 3.960 0.000 0.000 0.217 113 G HA3 -0.075 3.885 3.960 0.000 0.000 0.217 113 G C 1.863 176.782 174.900 0.031 0.000 1.168 113 G CA 1.356 46.457 45.100 0.003 0.000 0.771 113 G HN 0.629 nan 8.290 nan 0.000 0.551 114 L N -1.192 120.017 121.223 -0.024 0.000 2.127 114 L HA -0.080 4.260 4.340 0.000 0.000 0.211 114 L C 2.572 179.479 176.870 0.061 0.000 1.089 114 L CA 1.239 56.071 54.840 -0.013 0.000 0.757 114 L CB -0.239 41.738 42.059 -0.135 0.000 0.899 114 L HN 0.532 nan 8.230 nan 0.000 0.434 115 W N 0.336 121.593 121.300 -0.071 0.000 2.358 115 W HA -0.203 4.457 4.660 0.000 0.000 0.303 115 W C 2.166 178.755 176.519 0.117 0.000 1.208 115 W CA 1.355 58.739 57.345 0.066 0.000 1.274 115 W CB -0.081 29.363 29.460 -0.027 0.000 1.138 115 W HN -0.029 nan 8.180 nan 0.000 0.515 116 L N 0.020 121.335 121.223 0.154 0.000 2.027 116 L HA -0.203 4.137 4.340 0.000 0.000 0.206 116 L C 2.463 179.285 176.870 -0.081 0.000 1.074 116 L CA 1.339 56.149 54.840 -0.050 0.000 0.745 116 L CB -0.844 41.254 42.059 0.065 0.000 0.898 116 L HN -0.011 nan 8.230 nan 0.000 0.433 117 I N -0.038 120.531 120.570 -0.002 0.000 2.127 117 I HA -0.349 3.821 4.170 0.000 0.000 0.241 117 I C 2.785 178.965 176.117 0.106 0.000 1.075 117 I CA 1.448 62.749 61.300 0.001 0.000 1.334 117 I CB -0.457 37.589 38.000 0.076 0.000 1.040 117 I HN 0.228 nan 8.210 nan 0.000 0.405 118 A N -0.010 122.901 122.820 0.152 0.000 1.933 118 A HA -0.192 4.128 4.320 0.000 0.000 0.218 118 A C 2.469 180.172 177.584 0.198 0.000 1.175 118 A CA 2.202 54.405 52.037 0.277 0.000 0.628 118 A CB -0.703 18.321 19.000 0.041 0.000 0.814 118 A HN 0.428 nan 8.150 nan 0.000 0.444 119 S N -0.822 114.805 115.700 -0.122 0.000 2.348 119 S HA -0.143 4.327 4.470 0.000 0.000 0.221 119 S C 1.663 176.231 174.600 -0.053 0.000 1.033 119 S CA 1.354 59.426 58.200 -0.213 0.000 1.010 119 S CB -0.639 62.147 63.200 -0.689 0.000 0.891 119 S HN 0.623 nan 8.310 nan 0.000 0.442 120 F N 2.071 121.917 119.950 -0.174 0.000 2.085 120 F HA -0.239 4.288 4.527 0.000 0.000 0.299 120 F C 1.764 177.549 175.800 -0.025 0.000 1.096 120 F CA 1.426 59.331 58.000 -0.158 0.000 1.227 120 F CB -0.603 38.209 39.000 -0.314 0.000 0.983 120 F HN 0.110 nan 8.300 nan 0.000 0.482 121 F N -0.000 119.975 119.950 0.042 0.000 2.171 121 F HA -0.227 4.300 4.527 0.000 0.000 0.300 121 F C 2.613 178.326 175.800 -0.144 0.000 1.090 121 F CA 1.773 59.766 58.000 -0.012 0.000 1.293 121 F CB -0.994 38.096 39.000 0.149 0.000 1.013 121 F HN 0.121 nan 8.300 nan 0.000 0.486 122 M N -1.258 118.287 119.600 -0.092 0.000 2.175 122 M HA -0.196 4.284 4.480 0.000 0.000 0.264 122 M C 2.175 178.417 176.300 -0.097 0.000 1.063 122 M CA 1.606 56.652 55.300 -0.423 0.000 1.119 122 M CB -0.459 31.596 32.600 -0.907 0.000 1.377 122 M HN 0.150 nan 8.290 nan 0.000 0.415 123 F N 0.572 120.479 119.950 -0.073 0.000 2.075 123 F HA -0.202 4.325 4.527 0.000 0.000 0.297 123 F C 2.223 178.069 175.800 0.076 0.000 1.113 123 F CA 2.128 60.197 58.000 0.117 0.000 1.218 123 F CB -0.358 38.593 39.000 -0.081 0.000 0.984 123 F HN 0.142 nan 8.300 nan 0.000 0.472 124 V N -0.405 119.574 119.914 0.108 0.000 2.515 124 V HA -0.097 4.023 4.120 0.000 0.000 0.250 124 V C 2.243 178.402 176.094 0.108 0.000 1.058 124 V CA 1.568 63.927 62.300 0.099 0.000 1.064 124 V CB -1.553 30.238 31.823 -0.052 0.000 0.675 124 V HN 0.354 nan 8.190 nan 0.000 0.461 125 A N 0.322 123.162 122.820 0.033 0.000 1.877 125 A HA -0.076 4.244 4.320 0.000 0.000 0.216 125 A C 2.373 179.946 177.584 -0.018 0.000 1.186 125 A CA 2.372 54.414 52.037 0.009 0.000 0.620 125 A CB -0.873 18.064 19.000 -0.105 0.000 0.822 125 A HN 0.514 nan 8.150 nan 0.000 0.443 126 V N -2.683 117.093 119.914 -0.229 0.000 2.407 126 V HA -0.210 3.910 4.120 0.000 0.000 0.245 126 V C 2.202 178.179 176.094 -0.194 0.000 1.041 126 V CA 1.420 63.486 62.300 -0.389 0.000 1.040 126 V CB -0.910 30.201 31.823 -1.186 0.000 0.671 126 V HN 0.780 nan 8.190 nan 0.000 0.455 127 W N 0.922 122.158 121.300 -0.107 0.000 2.402 127 W HA -0.155 4.505 4.660 0.000 0.000 0.286 127 W C 2.863 179.494 176.519 0.187 0.000 1.221 127 W CA 1.446 58.786 57.345 -0.009 0.000 1.257 127 W CB -0.233 29.127 29.460 -0.167 0.000 1.120 127 W HN 0.347 nan 8.180 nan 0.000 0.551 128 S N -1.364 114.541 115.700 0.340 0.000 2.395 128 S HA -0.196 4.274 4.470 0.000 0.000 0.225 128 S C 1.650 176.377 174.600 0.212 0.000 1.027 128 S CA 0.643 59.000 58.200 0.262 0.000 0.965 128 S CB -1.253 62.074 63.200 0.211 0.000 0.812 128 S HN 0.447 nan 8.310 nan 0.000 0.482 129 W N 1.276 122.636 121.300 0.099 0.000 2.338 129 W HA -0.162 4.498 4.660 0.000 0.000 0.304 129 W C 1.958 178.580 176.519 0.171 0.000 1.212 129 W CA 1.337 58.724 57.345 0.069 0.000 1.264 129 W CB -0.567 28.893 29.460 0.001 0.000 1.142 129 W HN 0.487 nan 8.180 nan 0.000 0.512 130 W N 1.541 123.026 121.300 0.309 0.000 2.318 130 W HA -0.170 4.490 4.660 0.000 0.000 0.313 130 W C 2.485 179.056 176.519 0.087 0.000 1.221 130 W CA 3.449 60.956 57.345 0.269 0.000 1.266 130 W CB -0.941 28.522 29.460 0.004 0.000 1.150 130 W HN -0.100 nan 8.180 nan 0.000 0.496 131 G N 0.244 109.020 108.800 -0.040 0.000 2.422 131 G HA2 -0.294 3.666 3.960 0.000 0.000 0.218 131 G HA3 -0.294 3.666 3.960 0.000 0.000 0.218 131 G C 1.588 176.263 174.900 -0.376 0.000 1.140 131 G CA 0.967 45.875 45.100 -0.319 0.000 0.775 131 G HN 0.396 nan 8.290 nan 0.000 0.545 132 R N -0.248 120.036 120.500 -0.361 0.000 2.148 132 R HA -0.003 4.337 4.340 0.000 0.000 0.223 132 R C 2.178 178.150 176.300 -0.547 0.000 1.088 132 R CA 1.689 57.511 56.100 -0.463 0.000 0.985 132 R CB -0.664 29.264 30.300 -0.620 0.000 0.880 132 R HN 0.189 nan 8.270 nan 0.000 0.451 133 T N 0.231 114.436 114.554 -0.582 0.000 2.821 133 T HA -0.162 4.188 4.350 0.000 0.000 0.267 133 T C 1.174 175.575 174.700 -0.498 0.000 1.046 133 T CA 1.398 63.189 62.100 -0.514 0.000 1.139 133 T CB -0.314 68.322 68.868 -0.386 0.000 0.871 133 T HN 0.383 nan 8.240 nan 0.000 0.454 134 Y N 1.132 120.990 120.300 -0.737 0.000 2.184 134 Y HA 0.085 4.635 4.550 0.000 0.000 0.290 134 Y C 2.007 177.634 175.900 -0.455 0.000 1.129 134 Y CA 1.083 58.782 58.100 -0.667 0.000 1.144 134 Y CB -0.322 37.622 38.460 -0.861 0.000 0.995 134 Y HN 0.105 nan 8.280 nan 0.000 0.513 135 L N -0.537 120.572 121.223 -0.190 0.000 2.017 135 L HA -0.236 4.104 4.340 0.000 0.000 0.208 135 L C 2.499 179.191 176.870 -0.296 0.000 1.073 135 L CA 1.140 55.875 54.840 -0.174 0.000 0.745 135 L CB -0.475 41.482 42.059 -0.170 0.000 0.894 135 L HN 0.069 nan 8.230 nan 0.000 0.432 136 R N 0.338 120.614 120.500 -0.372 0.000 2.103 136 R HA -0.163 4.177 4.340 0.000 0.000 0.242 136 R C 2.297 178.389 176.300 -0.346 0.000 1.142 136 R CA 1.581 57.438 56.100 -0.405 0.000 0.960 136 R CB -1.312 28.749 30.300 -0.398 0.000 0.858 136 R HN 0.401 nan 8.270 nan 0.000 0.439 137 A N 0.272 122.873 122.820 -0.366 0.000 1.877 137 A HA -0.223 4.097 4.320 0.000 0.000 0.216 137 A C 2.152 179.548 177.584 -0.312 0.000 1.186 137 A CA 1.589 53.416 52.037 -0.349 0.000 0.620 137 A CB -0.563 18.174 19.000 -0.438 0.000 0.822 137 A HN 0.444 nan 8.150 nan 0.000 0.443 138 Q N -0.600 118.995 119.800 -0.342 0.000 2.124 138 Q HA -0.149 4.191 4.340 0.000 0.000 0.202 138 Q C 2.181 178.077 176.000 -0.173 0.000 0.977 138 Q CA 1.540 57.199 55.803 -0.240 0.000 0.850 138 Q CB -0.342 28.291 28.738 -0.176 0.000 0.901 138 Q HN 0.617 nan 8.270 nan 0.000 0.429 139 A N 0.471 123.171 122.820 -0.199 0.000 1.940 139 A HA -0.140 4.180 4.320 0.000 0.000 0.219 139 A C 1.830 179.324 177.584 -0.150 0.000 1.176 139 A CA 1.215 53.145 52.037 -0.178 0.000 0.631 139 A CB -0.404 18.441 19.000 -0.258 0.000 0.814 139 A HN 0.447 nan 8.150 nan 0.000 0.446 140 L N -1.669 119.454 121.223 -0.166 0.000 2.585 140 L HA 0.268 4.608 4.340 0.000 0.000 0.226 140 L C 1.543 178.344 176.870 -0.115 0.000 1.113 140 L CA 0.441 55.201 54.840 -0.133 0.000 0.876 140 L CB -0.040 41.933 42.059 -0.143 0.000 1.072 140 L HN 0.541 nan 8.230 nan 0.000 0.468 141 G N 0.494 109.219 108.800 -0.124 0.000 2.147 141 G HA2 -0.288 3.673 3.960 0.000 0.000 0.244 141 G HA3 -0.288 3.673 3.960 0.000 0.000 0.244 141 G C 0.177 175.014 174.900 -0.105 0.000 1.005 141 G CA 0.223 45.262 45.100 -0.102 0.000 0.713 141 G HN 0.245 nan 8.290 nan 0.000 0.515 142 M N -0.002 119.515 119.600 -0.139 0.000 2.369 142 M HA 0.581 5.061 4.480 0.000 0.000 0.291 142 M C 1.371 177.589 176.300 -0.136 0.000 1.178 142 M CA -0.023 55.199 55.300 -0.131 0.000 0.996 142 M CB 0.733 33.242 32.600 -0.152 0.000 1.472 142 M HN 0.207 nan 8.290 nan 0.000 0.496 143 G N 0.241 109.000 108.800 -0.068 0.000 2.599 143 G HA2 0.238 4.198 3.960 0.000 0.000 0.264 143 G HA3 0.238 4.198 3.960 0.000 0.000 0.264 143 G C 0.146 175.011 174.900 -0.058 0.000 1.200 143 G CA -0.553 44.577 45.100 0.050 0.000 0.896 143 G HN 0.618 nan 8.290 nan 0.000 0.536 144 K N -0.296 120.028 120.400 -0.127 0.000 2.437 144 K HA 0.111 4.431 4.320 0.000 0.000 0.205 144 K C 1.401 177.745 176.600 -0.426 0.000 1.026 144 K CA -0.165 55.834 56.287 -0.480 0.000 1.153 144 K CB 0.090 32.127 32.500 -0.773 0.000 0.863 144 K HN 0.595 nan 8.250 nan 0.000 0.502 145 H N 0.990 119.962 119.070 -0.164 0.000 2.289 145 H HA -0.142 4.414 4.556 0.000 0.000 0.294 145 H C 1.790 177.065 175.328 -0.088 0.000 1.095 145 H CA 2.481 58.495 56.048 -0.057 0.000 1.256 145 H CB -0.664 29.063 29.762 -0.058 0.000 1.359 145 H HN 0.089 nan 8.280 nan 0.000 0.487 146 T N 0.188 114.745 114.554 0.004 0.000 2.737 146 T HA -0.224 4.126 4.350 0.000 0.000 0.269 146 T C 2.290 176.973 174.700 -0.027 0.000 1.040 146 T CA 1.450 63.526 62.100 -0.040 0.000 1.142 146 T CB -0.543 68.255 68.868 -0.117 0.000 0.861 146 T HN 0.560 nan 8.240 nan 0.000 0.456 147 A N 0.146 122.842 122.820 -0.206 0.000 1.929 147 A HA 0.013 4.333 4.320 0.000 0.000 0.216 147 A C 2.099 179.779 177.584 0.160 0.000 1.176 147 A CA 0.853 52.779 52.037 -0.184 0.000 0.628 147 A CB -0.976 17.633 19.000 -0.652 0.000 0.816 147 A HN 0.724 nan 8.150 nan 0.000 0.444 148 W N -0.326 121.101 121.300 0.212 0.000 2.381 148 W HA -0.000 4.660 4.660 0.000 0.000 0.301 148 W C 2.696 179.254 176.519 0.066 0.000 1.205 148 W CA 0.608 58.031 57.345 0.130 0.000 1.285 148 W CB -0.000 29.448 29.460 -0.019 0.000 1.133 148 W HN 0.379 nan 8.180 nan 0.000 0.521 149 A N -0.085 122.873 122.820 0.230 0.000 1.929 149 A HA -0.189 4.131 4.320 0.000 0.000 0.216 149 A C 1.705 179.434 177.584 0.241 0.000 1.176 149 A CA 1.143 53.262 52.037 0.136 0.000 0.628 149 A CB -1.099 17.936 19.000 0.057 0.000 0.816 149 A HN 0.340 nan 8.150 nan 0.000 0.444 150 F N 0.318 120.347 119.950 0.132 0.000 2.171 150 F HA -0.102 4.425 4.527 0.000 0.000 0.300 150 F C 1.679 177.574 175.800 0.159 0.000 1.090 150 F CA 1.041 59.129 58.000 0.146 0.000 1.293 150 F CB -0.541 38.568 39.000 0.182 0.000 1.013 150 F HN 0.171 nan 8.300 nan 0.000 0.486 151 L N -0.170 121.147 121.223 0.156 0.000 2.129 151 L HA -0.203 4.137 4.340 0.000 0.000 0.212 151 L C 2.711 179.580 176.870 -0.001 0.000 1.087 151 L CA 2.034 56.833 54.840 -0.067 0.000 0.757 151 L CB -1.329 40.824 42.059 0.157 0.000 0.896 151 L HN 0.280 nan 8.230 nan 0.000 0.434 152 S N -1.581 114.172 115.700 0.087 0.000 2.406 152 S HA -0.062 4.408 4.470 0.000 0.000 0.228 152 S C 2.063 176.774 174.600 0.186 0.000 1.020 152 S CA 0.923 59.203 58.200 0.133 0.000 0.965 152 S CB -0.126 63.130 63.200 0.093 0.000 0.798 152 S HN 0.560 nan 8.310 nan 0.000 0.488 153 A N 1.108 124.000 122.820 0.120 0.000 1.970 153 A HA 0.184 4.505 4.320 0.000 0.000 0.216 153 A C 1.992 179.603 177.584 0.046 0.000 1.170 153 A CA 0.784 52.890 52.037 0.114 0.000 0.645 153 A CB -0.551 18.549 19.000 0.167 0.000 0.816 153 A HN 0.591 nan 8.150 nan 0.000 0.447 154 I N -1.243 119.247 120.570 -0.134 0.000 2.361 154 I HA -0.276 3.894 4.170 0.000 0.000 0.251 154 I C 2.459 178.672 176.117 0.159 0.000 1.133 154 I CA 1.224 62.415 61.300 -0.181 0.000 1.413 154 I CB -0.312 37.281 38.000 -0.679 0.000 1.073 154 I HN 0.760 nan 8.210 nan 0.000 0.424 155 W N 1.846 123.126 121.300 -0.032 0.000 2.332 155 W HA -0.318 4.342 4.660 0.000 0.000 0.321 155 W C 2.395 178.947 176.519 0.054 0.000 1.219 155 W CA 1.172 58.530 57.345 0.021 0.000 1.277 155 W CB -0.373 29.094 29.460 0.012 0.000 1.161 155 W HN 0.124 nan 8.180 nan 0.000 0.476 156 L N 1.291 122.448 121.223 -0.110 0.000 2.043 156 L HA -0.215 4.125 4.340 0.000 0.000 0.212 156 L C 2.275 179.086 176.870 -0.099 0.000 1.075 156 L CA 2.857 57.563 54.840 -0.223 0.000 0.752 156 L CB -1.751 40.287 42.059 -0.034 0.000 0.891 156 L HN 0.345 nan 8.230 nan 0.000 0.432 157 W N -0.330 120.880 121.300 -0.151 0.000 2.355 157 W HA -0.236 4.424 4.660 0.000 0.000 0.309 157 W C 2.304 178.773 176.519 -0.083 0.000 1.206 157 W CA 1.896 59.165 57.345 -0.127 0.000 1.284 157 W CB -0.302 29.056 29.460 -0.170 0.000 1.145 157 W HN 0.090 nan 8.180 nan 0.000 0.502 158 M N 0.282 119.666 119.600 -0.361 0.000 2.080 158 M HA -0.203 4.277 4.480 0.000 0.000 0.260 158 M C 1.981 178.150 176.300 -0.219 0.000 1.068 158 M CA 1.670 56.717 55.300 -0.422 0.000 1.109 158 M CB -1.574 31.009 32.600 -0.028 0.000 1.342 158 M HN 0.004 nan 8.290 nan 0.000 0.405 159 V N 0.773 120.496 119.914 -0.319 0.000 2.255 159 V HA -0.293 3.827 4.120 0.000 0.000 0.247 159 V C 2.505 178.499 176.094 -0.167 0.000 1.051 159 V CA 1.682 63.773 62.300 -0.349 0.000 1.018 159 V CB -0.683 30.730 31.823 -0.684 0.000 0.641 159 V HN 0.430 nan 8.190 nan 0.000 0.445 160 L N -0.085 121.039 121.223 -0.166 0.000 2.131 160 L HA -0.073 4.267 4.340 0.000 0.000 0.210 160 L C 2.265 179.123 176.870 -0.019 0.000 1.092 160 L CA 1.648 56.442 54.840 -0.076 0.000 0.759 160 L CB -0.640 41.341 42.059 -0.129 0.000 0.903 160 L HN 0.497 nan 8.230 nan 0.000 0.435 161 G N -2.533 106.238 108.800 -0.048 0.000 2.748 161 G HA2 -0.052 3.909 3.960 0.000 0.000 0.204 161 G HA3 -0.052 3.909 3.960 0.000 0.000 0.204 161 G C 0.969 176.060 174.900 0.319 0.000 1.095 161 G CA 0.038 45.191 45.100 0.089 0.000 0.775 161 G HN 0.236 nan 8.290 nan 0.000 0.531 162 F N -0.080 119.897 119.950 0.046 0.000 2.212 162 F HA 0.403 4.930 4.527 0.000 0.000 0.262 162 F C 2.047 177.927 175.800 0.134 0.000 0.906 162 F CA -0.045 58.066 58.000 0.184 0.000 1.127 162 F CB 0.041 39.115 39.000 0.123 0.000 1.178 162 F HN -0.048 nan 8.300 nan 0.000 0.779 163 I N 0.701 121.341 120.570 0.116 0.000 2.252 163 I HA -0.177 3.993 4.170 0.000 0.000 0.245 163 I C 2.510 178.592 176.117 -0.057 0.000 1.102 163 I CA 1.374 62.672 61.300 -0.004 0.000 1.385 163 I CB -0.394 37.652 38.000 0.077 0.000 1.064 163 I HN 0.121 nan 8.210 nan 0.000 0.414 164 R N 0.999 121.489 120.500 -0.017 0.000 2.062 164 R HA -0.070 4.270 4.340 0.000 0.000 0.226 164 R C -0.542 175.760 176.300 0.003 0.000 1.125 164 R CA 1.198 57.305 56.100 0.012 0.000 0.966 164 R CB -0.964 29.380 30.300 0.074 0.000 0.861 164 R HN 0.187 nan 8.270 nan 0.000 0.433 165 P HA -0.120 nan 4.420 nan 0.000 0.219 165 P C 0.935 178.078 177.300 -0.263 0.000 1.146 165 P CA 1.239 64.316 63.100 -0.038 0.000 0.808 165 P CB 0.029 31.810 31.700 0.134 0.000 0.779 166 I N -1.385 118.993 120.570 -0.320 0.000 2.233 166 I HA -0.165 4.005 4.170 0.000 0.000 0.243 166 I C 2.119 178.080 176.117 -0.260 0.000 1.093 166 I CA 1.118 62.164 61.300 -0.423 0.000 1.380 166 I CB -0.557 37.156 38.000 -0.478 0.000 1.067 166 I HN -0.142 nan 8.210 nan 0.000 0.413 167 L N 0.219 121.343 121.223 -0.166 0.000 2.353 167 L HA -0.150 4.190 4.340 0.000 0.000 0.220 167 L C 1.859 178.676 176.870 -0.088 0.000 1.133 167 L CA 0.808 55.588 54.840 -0.100 0.000 0.798 167 L CB -0.235 41.795 42.059 -0.049 0.000 0.922 167 L HN 0.336 nan 8.230 nan 0.000 0.445 168 M N -0.743 118.798 119.600 -0.099 0.000 2.475 168 M HA 0.257 4.737 4.480 0.000 0.000 0.261 168 M C 1.368 177.592 176.300 -0.128 0.000 1.177 168 M CA 0.403 55.654 55.300 -0.082 0.000 0.979 168 M CB -0.135 32.443 32.600 -0.037 0.000 1.482 168 M HN 0.281 nan 8.290 nan 0.000 0.484 169 G N 2.403 111.093 108.800 -0.183 0.000 2.269 169 G HA2 -0.259 3.701 3.960 0.000 0.000 0.277 169 G HA3 -0.259 3.701 3.960 0.000 0.000 0.277 169 G C 0.128 174.866 174.900 -0.271 0.000 1.008 169 G CA 0.897 45.862 45.100 -0.224 0.000 0.774 169 G HN 0.651 nan 8.290 nan 0.000 0.511 170 S N -2.263 113.251 115.700 -0.310 0.000 2.548 170 S HA 0.441 4.911 4.470 0.000 0.000 0.278 170 S C 0.460 174.909 174.600 -0.253 0.000 1.150 170 S CA 0.068 58.094 58.200 -0.291 0.000 0.907 170 S CB 0.325 63.445 63.200 -0.133 0.000 1.108 170 S HN 0.356 nan 8.310 nan 0.000 0.459 171 W N 2.490 123.732 121.300 -0.097 0.000 2.425 171 W HA -0.031 4.629 4.660 0.000 0.000 0.277 171 W C 2.636 178.995 176.519 -0.267 0.000 1.231 171 W CA 0.745 57.998 57.345 -0.153 0.000 1.248 171 W CB -0.040 29.319 29.460 -0.168 0.000 1.117 171 W HN 0.927 nan 8.180 nan 0.000 0.568 172 S N 0.057 115.767 115.700 0.017 0.000 2.500 172 S HA -0.172 4.298 4.470 0.000 0.000 0.239 172 S C 1.372 176.004 174.600 0.053 0.000 0.989 172 S CA 1.075 59.251 58.200 -0.039 0.000 0.951 172 S CB -0.297 62.901 63.200 -0.003 0.000 0.759 172 S HN 0.241 nan 8.310 nan 0.000 0.523 173 E N 1.415 121.676 120.200 0.103 0.000 2.478 173 E HA 0.265 4.615 4.350 0.000 0.000 0.198 173 E C 0.923 177.771 176.600 0.414 0.000 1.046 173 E CA 0.492 57.038 56.400 0.243 0.000 0.870 173 E CB -0.138 29.674 29.700 0.186 0.000 0.818 173 E HN 0.753 nan 8.360 nan 0.000 0.527 174 A N 0.715 123.656 122.820 0.203 0.000 2.271 174 A HA 0.396 4.716 4.320 0.000 0.000 0.288 174 A C 0.233 177.717 177.584 -0.166 0.000 1.094 174 A CA -0.536 51.567 52.037 0.109 0.000 0.828 174 A CB 0.888 20.009 19.000 0.200 0.000 1.091 174 A HN -0.043 nan 8.150 nan 0.000 0.493 175 V N 2.846 122.483 119.914 -0.460 0.000 2.583 175 V HA 0.308 4.428 4.120 0.000 0.000 0.287 175 V C -1.786 174.077 176.094 -0.385 0.000 1.051 175 V CA -0.951 60.799 62.300 -0.916 0.000 1.010 175 V CB 0.865 32.148 31.823 -0.899 0.000 0.988 175 V HN 0.866 nan 8.190 nan 0.000 0.478 176 P HA 0.264 nan 4.420 nan 0.000 0.278 176 P C -1.492 175.783 177.300 -0.041 0.000 1.258 176 P CA -0.520 62.530 63.100 -0.083 0.000 0.811 176 P CB 0.649 32.388 31.700 0.065 0.000 1.063 177 Y N 0.025 120.532 120.300 0.345 0.000 2.595 177 Y HA 0.611 5.161 4.550 0.000 0.000 0.336 177 Y C 1.195 177.272 175.900 0.296 0.000 0.996 177 Y CA 0.122 58.365 58.100 0.239 0.000 1.260 177 Y CB 0.474 39.019 38.460 0.143 0.000 1.108 177 Y HN 0.527 nan 8.280 nan 0.000 0.509 178 G N 1.559 110.574 108.800 0.359 0.000 2.673 178 G HA2 0.381 4.341 3.960 0.000 0.000 0.292 178 G HA3 0.381 4.341 3.960 0.000 0.000 0.292 178 G C -0.101 174.931 174.900 0.219 0.000 1.450 178 G CA -0.725 44.590 45.100 0.359 0.000 0.837 178 G HN 0.210 nan 8.290 nan 0.000 0.505 179 I N 0.416 121.033 120.570 0.078 0.000 2.141 179 I HA 0.045 4.215 4.170 0.000 0.000 0.236 179 I C 2.499 178.730 176.117 0.188 0.000 1.071 179 I CA 1.197 62.471 61.300 -0.043 0.000 1.345 179 I CB -1.035 36.604 38.000 -0.603 0.000 1.066 179 I HN 0.433 nan 8.210 nan 0.000 0.406 180 F N 1.894 121.845 119.950 0.001 0.000 2.146 180 F HA -0.145 4.382 4.527 0.000 0.000 0.298 180 F C 3.023 178.849 175.800 0.044 0.000 1.096 180 F CA 1.156 59.127 58.000 -0.048 0.000 1.275 180 F CB -1.685 37.172 39.000 -0.238 0.000 1.008 180 F HN 0.174 nan 8.300 nan 0.000 0.480 181 S N 0.243 116.113 115.700 0.283 0.000 2.365 181 S HA -0.305 4.165 4.470 0.000 0.000 0.225 181 S C 2.143 176.920 174.600 0.295 0.000 1.039 181 S CA 1.764 60.122 58.200 0.262 0.000 1.033 181 S CB -1.372 61.986 63.200 0.263 0.000 0.887 181 S HN 0.659 nan 8.310 nan 0.000 0.447 182 H N 2.193 121.373 119.070 0.183 0.000 2.495 182 H HA 0.153 4.709 4.556 0.000 0.000 0.287 182 H C 1.908 177.369 175.328 0.221 0.000 1.033 182 H CA 1.231 57.380 56.048 0.167 0.000 1.307 182 H CB -0.563 29.251 29.762 0.087 0.000 1.401 182 H HN 0.472 nan 8.280 nan 0.000 0.555 183 L N 0.597 121.696 121.223 -0.206 0.000 2.109 183 L HA -0.110 4.230 4.340 0.000 0.000 0.207 183 L C 2.247 179.132 176.870 0.026 0.000 1.086 183 L CA 1.168 55.919 54.840 -0.148 0.000 0.760 183 L CB -0.295 41.724 42.059 -0.065 0.000 0.910 183 L HN 0.126 nan 8.230 nan 0.000 0.437 184 D N -0.583 119.871 120.400 0.091 0.000 2.117 184 D HA -0.227 4.413 4.640 0.000 0.000 0.197 184 D C 1.757 178.155 176.300 0.163 0.000 0.987 184 D CA 1.109 55.168 54.000 0.099 0.000 0.829 184 D CB -0.215 40.649 40.800 0.107 0.000 0.961 184 D HN 0.403 nan 8.370 nan 0.000 0.460 185 W N 1.810 123.138 121.300 0.046 0.000 2.355 185 W HA -0.239 4.421 4.660 0.000 0.000 0.309 185 W C 2.253 178.829 176.519 0.094 0.000 1.206 185 W CA 2.307 59.701 57.345 0.082 0.000 1.284 185 W CB -0.440 29.078 29.460 0.096 0.000 1.145 185 W HN -0.146 nan 8.180 nan 0.000 0.502 186 T N 0.519 115.350 114.554 0.462 0.000 2.607 186 T HA -0.384 3.966 4.350 0.000 0.000 0.267 186 T C 1.391 176.135 174.700 0.074 0.000 1.049 186 T CA 2.044 64.292 62.100 0.247 0.000 1.162 186 T CB -0.949 68.018 68.868 0.164 0.000 0.863 186 T HN 0.330 nan 8.240 nan 0.000 0.424 187 N N 1.561 120.286 118.700 0.041 0.000 2.149 187 N HA -0.134 4.606 4.740 0.000 0.000 0.188 187 N C 1.773 177.266 175.510 -0.028 0.000 1.019 187 N CA 1.523 54.567 53.050 -0.009 0.000 0.857 187 N CB -0.379 38.094 38.487 -0.022 0.000 0.997 187 N HN 0.418 nan 8.380 nan 0.000 0.426 188 N N -0.681 117.995 118.700 -0.040 0.000 2.216 188 N HA -0.182 4.558 4.740 0.000 0.000 0.183 188 N C 1.699 177.133 175.510 -0.126 0.000 1.017 188 N CA 0.664 53.660 53.050 -0.089 0.000 0.861 188 N CB -0.358 38.073 38.487 -0.093 0.000 0.986 188 N HN 0.314 nan 8.380 nan 0.000 0.428 189 F N 1.854 121.593 119.950 -0.352 0.000 2.095 189 F HA -0.174 4.354 4.527 0.000 0.000 0.298 189 F C 2.931 178.713 175.800 -0.030 0.000 1.104 189 F CA 1.859 59.669 58.000 -0.317 0.000 1.232 189 F CB -0.742 37.870 39.000 -0.647 0.000 0.987 189 F HN 0.040 nan 8.300 nan 0.000 0.475 190 S N 0.301 116.092 115.700 0.151 0.000 2.356 190 S HA -0.174 4.296 4.470 0.000 0.000 0.223 190 S C 2.163 176.758 174.600 -0.008 0.000 1.032 190 S CA 1.579 59.819 58.200 0.067 0.000 1.005 190 S CB -0.646 62.525 63.200 -0.048 0.000 0.867 190 S HN 0.453 nan 8.310 nan 0.000 0.449 191 L N 0.966 122.154 121.223 -0.057 0.000 2.042 191 L HA -0.045 4.295 4.340 0.000 0.000 0.210 191 L C 2.448 179.251 176.870 -0.112 0.000 1.076 191 L CA 1.057 55.852 54.840 -0.075 0.000 0.749 191 L CB -0.546 41.463 42.059 -0.083 0.000 0.893 191 L HN 0.243 nan 8.230 nan 0.000 0.432 192 V N -1.383 118.412 119.914 -0.197 0.000 3.217 192 V HA -0.196 3.924 4.120 0.000 0.000 0.264 192 V C 1.144 176.956 176.094 -0.470 0.000 1.135 192 V CA 1.320 63.418 62.300 -0.338 0.000 1.142 192 V CB -0.721 30.843 31.823 -0.431 0.000 0.754 192 V HN 0.471 nan 8.190 nan 0.000 0.484 193 H N -0.962 117.987 119.070 -0.202 0.000 2.674 193 H HA 0.431 4.987 4.556 0.000 0.000 0.274 193 H C 1.484 176.840 175.328 0.046 0.000 1.121 193 H CA 0.538 56.496 56.048 -0.150 0.000 1.132 193 H CB 0.793 30.414 29.762 -0.234 0.000 1.606 193 H HN 0.343 nan 8.280 nan 0.000 0.558 194 G N 1.559 110.438 108.800 0.132 0.000 2.132 194 G HA2 -0.323 3.637 3.960 0.000 0.000 0.234 194 G HA3 -0.323 3.637 3.960 0.000 0.000 0.234 194 G C -0.399 174.719 174.900 0.363 0.000 0.989 194 G CA -0.020 45.213 45.100 0.222 0.000 0.676 194 G HN 0.572 nan 8.290 nan 0.000 0.522 195 N N -1.990 116.850 118.700 0.234 0.000 3.585 195 N HA -0.130 4.610 4.740 0.000 0.000 0.280 195 N C 0.840 176.440 175.510 0.150 0.000 1.982 195 N CA 0.848 53.980 53.050 0.137 0.000 2.260 195 N CB -1.027 37.560 38.487 0.167 0.000 0.635 195 N HN 0.511 nan 8.380 nan 0.000 0.546 196 L N 4.372 125.539 121.223 -0.093 0.000 2.275 196 L HA 0.106 4.446 4.340 0.000 0.000 0.215 196 L C 1.908 178.596 176.870 -0.303 0.000 1.119 196 L CA 1.119 55.793 54.840 -0.277 0.000 0.790 196 L CB -0.555 41.178 42.059 -0.545 0.000 0.919 196 L HN 0.624 nan 8.230 nan 0.000 0.443 197 F N -1.413 118.331 119.950 -0.343 0.000 2.346 197 F HA -0.243 4.284 4.527 0.000 0.000 0.301 197 F C 1.804 177.457 175.800 -0.245 0.000 1.070 197 F CA 0.746 58.587 58.000 -0.265 0.000 1.407 197 F CB -1.158 37.641 39.000 -0.335 0.000 1.072 197 F HN 0.185 nan 8.300 nan 0.000 0.543 198 Y N -1.080 119.359 120.300 0.233 0.000 2.466 198 Y HA 0.079 4.629 4.550 0.000 0.000 0.272 198 Y C 0.923 176.891 175.900 0.113 0.000 1.169 198 Y CA -0.554 57.703 58.100 0.262 0.000 1.285 198 Y CB -0.793 37.916 38.460 0.416 0.000 1.078 198 Y HN -0.025 nan 8.280 nan 0.000 0.523 199 N N 2.485 121.079 118.700 -0.177 0.000 2.411 199 N HA 0.045 4.785 4.740 0.000 0.000 0.259 199 N C -1.803 173.465 175.510 -0.403 0.000 1.103 199 N CA -1.502 50.988 53.050 -0.934 0.000 0.954 199 N CB 1.159 38.769 38.487 -1.462 0.000 1.085 199 N HN -0.128 nan 8.380 nan 0.000 0.485 200 P HA -0.140 nan 4.420 nan 0.000 0.216 200 P C 0.807 177.925 177.300 -0.303 0.000 1.153 200 P CA 1.247 64.210 63.100 -0.227 0.000 0.848 200 P CB -0.015 31.561 31.700 -0.207 0.000 0.787 201 F N -0.401 119.439 119.950 -0.184 0.000 2.161 201 F HA -0.185 4.342 4.527 0.000 0.000 0.300 201 F C 2.844 178.612 175.800 -0.053 0.000 1.089 201 F CA 1.402 59.354 58.000 -0.080 0.000 1.282 201 F CB -1.564 37.395 39.000 -0.069 0.000 1.010 201 F HN 0.121 nan 8.300 nan 0.000 0.485 202 H N -0.010 119.037 119.070 -0.038 0.000 2.389 202 H HA -0.073 4.483 4.556 0.000 0.000 0.299 202 H C 2.327 177.635 175.328 -0.033 0.000 1.081 202 H CA 1.508 57.537 56.048 -0.031 0.000 1.345 202 H CB -0.411 29.299 29.762 -0.087 0.000 1.393 202 H HN 0.330 nan 8.280 nan 0.000 0.520 203 G N 0.792 109.574 108.800 -0.029 0.000 2.421 203 G HA2 -0.147 3.813 3.960 0.000 0.000 0.217 203 G HA3 -0.147 3.813 3.960 0.000 0.000 0.217 203 G C 1.734 176.518 174.900 -0.194 0.000 1.143 203 G CA 0.255 45.288 45.100 -0.112 0.000 0.784 203 G HN 0.276 nan 8.290 nan 0.000 0.541 204 L N 0.975 122.120 121.223 -0.129 0.000 2.027 204 L HA 0.087 4.427 4.340 0.000 0.000 0.206 204 L C 3.000 179.825 176.870 -0.075 0.000 1.074 204 L CA 1.688 56.444 54.840 -0.139 0.000 0.745 204 L CB -0.988 41.105 42.059 0.056 0.000 0.898 204 L HN 0.241 nan 8.230 nan 0.000 0.433 205 S N -0.589 115.145 115.700 0.057 0.000 2.365 205 S HA -0.217 4.253 4.470 0.000 0.000 0.225 205 S C 2.066 176.611 174.600 -0.091 0.000 1.039 205 S CA 1.702 59.955 58.200 0.088 0.000 1.033 205 S CB -0.272 62.927 63.200 -0.001 0.000 0.887 205 S HN 0.377 nan 8.310 nan 0.000 0.447 206 I N 1.245 121.630 120.570 -0.309 0.000 2.226 206 I HA -0.185 3.985 4.170 0.000 0.000 0.245 206 I C 2.648 178.442 176.117 -0.538 0.000 1.100 206 I CA 1.111 62.107 61.300 -0.506 0.000 1.374 206 I CB -0.455 37.157 38.000 -0.647 0.000 1.057 206 I HN 0.340 nan 8.210 nan 0.000 0.413 207 A N 0.726 123.275 122.820 -0.451 0.000 1.908 207 A HA -0.215 4.105 4.320 0.000 0.000 0.218 207 A C 2.026 179.431 177.584 -0.299 0.000 1.181 207 A CA 1.677 53.472 52.037 -0.402 0.000 0.627 207 A CB -0.978 17.719 19.000 -0.505 0.000 0.818 207 A HN 0.363 nan 8.150 nan 0.000 0.445 208 F N -0.921 119.028 119.950 -0.003 0.000 2.293 208 F HA -0.033 4.494 4.527 0.000 0.000 0.300 208 F C 1.947 177.795 175.800 0.080 0.000 1.086 208 F CA 0.985 59.023 58.000 0.063 0.000 1.375 208 F CB -0.614 38.438 39.000 0.087 0.000 1.045 208 F HN 0.255 nan 8.300 nan 0.000 0.516 209 L N -1.188 120.141 121.223 0.177 0.000 2.049 209 L HA -0.123 4.217 4.340 0.000 0.000 0.203 209 L C 2.239 179.262 176.870 0.254 0.000 1.074 209 L CA 1.666 56.612 54.840 0.177 0.000 0.749 209 L CB -1.077 41.041 42.059 0.099 0.000 0.907 209 L HN -0.006 nan 8.230 nan 0.000 0.439 210 Y N 0.378 120.716 120.300 0.064 0.000 2.151 210 Y HA -0.117 4.433 4.550 0.000 0.000 0.284 210 Y C 2.556 178.495 175.900 0.065 0.000 1.166 210 Y CA 0.902 59.031 58.100 0.048 0.000 1.163 210 Y CB -1.670 36.795 38.460 0.009 0.000 0.974 210 Y HN 0.287 nan 8.280 nan 0.000 0.511 211 G N -1.336 107.602 108.800 0.230 0.000 2.408 211 G HA2 -0.188 3.772 3.960 0.000 0.000 0.217 211 G HA3 -0.188 3.772 3.960 0.000 0.000 0.217 211 G C 1.993 177.003 174.900 0.184 0.000 1.150 211 G CA 1.000 46.206 45.100 0.177 0.000 0.776 211 G HN 0.373 nan 8.290 nan 0.000 0.542 212 S N 0.975 116.807 115.700 0.220 0.000 2.370 212 S HA -0.094 4.376 4.470 0.000 0.000 0.226 212 S C 2.753 177.488 174.600 0.224 0.000 1.033 212 S CA 1.373 59.701 58.200 0.214 0.000 1.011 212 S CB -0.332 63.002 63.200 0.222 0.000 0.852 212 S HN 0.589 nan 8.310 nan 0.000 0.457 213 A N 1.298 124.241 122.820 0.204 0.000 1.872 213 A HA 0.021 4.341 4.320 0.000 0.000 0.214 213 A C 2.107 179.782 177.584 0.151 0.000 1.187 213 A CA 1.346 53.489 52.037 0.176 0.000 0.614 213 A CB -0.826 18.256 19.000 0.136 0.000 0.826 213 A HN 0.422 nan 8.150 nan 0.000 0.442 214 L N -0.569 120.727 121.223 0.123 0.000 1.997 214 L HA -0.203 4.137 4.340 0.000 0.000 0.216 214 L C 2.236 179.155 176.870 0.081 0.000 1.074 214 L CA 2.449 57.342 54.840 0.087 0.000 0.763 214 L CB -0.646 41.452 42.059 0.065 0.000 0.890 214 L HN 0.336 nan 8.230 nan 0.000 0.434 215 L N -1.716 119.557 121.223 0.083 0.000 2.056 215 L HA -0.140 4.200 4.340 0.000 0.000 0.207 215 L C 2.228 179.191 176.870 0.154 0.000 1.078 215 L CA 1.683 56.542 54.840 0.032 0.000 0.749 215 L CB -0.914 41.145 42.059 0.001 0.000 0.901 215 L HN 0.322 nan 8.230 nan 0.000 0.433 216 F N 0.027 120.013 119.950 0.061 0.000 2.293 216 F HA 0.072 4.599 4.527 0.000 0.000 0.297 216 F C 2.342 178.191 175.800 0.083 0.000 1.089 216 F CA 0.532 58.589 58.000 0.095 0.000 1.377 216 F CB -0.897 38.160 39.000 0.095 0.000 1.051 216 F HN 0.179 nan 8.300 nan 0.000 0.511 217 A N 0.056 123.028 122.820 0.253 0.000 1.877 217 A HA -0.219 4.101 4.320 0.000 0.000 0.216 217 A C 2.349 180.026 177.584 0.156 0.000 1.186 217 A CA 1.819 53.940 52.037 0.139 0.000 0.620 217 A CB -0.707 18.352 19.000 0.099 0.000 0.822 217 A HN 0.364 nan 8.150 nan 0.000 0.443 218 M N -1.918 117.779 119.600 0.163 0.000 2.065 218 M HA -0.192 4.288 4.480 0.000 0.000 0.259 218 M C 2.336 178.767 176.300 0.218 0.000 1.071 218 M CA 2.228 57.640 55.300 0.186 0.000 1.109 218 M CB -0.553 32.009 32.600 -0.063 0.000 1.313 218 M HN 0.706 nan 8.290 nan 0.000 0.408 219 H N -0.163 118.955 119.070 0.080 0.000 2.293 219 H HA -0.059 4.497 4.556 0.000 0.000 0.300 219 H C 1.933 177.345 175.328 0.140 0.000 1.082 219 H CA 2.217 58.307 56.048 0.070 0.000 1.308 219 H CB -0.717 29.041 29.762 -0.006 0.000 1.375 219 H HN 0.335 nan 8.280 nan 0.000 0.495 220 G N 0.050 108.925 108.800 0.125 0.000 2.459 220 G HA2 -0.292 3.668 3.960 0.000 0.000 0.217 220 G HA3 -0.292 3.668 3.960 0.000 0.000 0.217 220 G C 1.963 176.822 174.900 -0.069 0.000 1.183 220 G CA 1.375 46.484 45.100 0.015 0.000 0.776 220 G HN 0.636 nan 8.290 nan 0.000 0.552 221 A N -0.042 122.765 122.820 -0.021 0.000 1.908 221 A HA -0.059 4.261 4.320 0.000 0.000 0.218 221 A C 2.524 180.048 177.584 -0.101 0.000 1.181 221 A CA 2.586 54.587 52.037 -0.060 0.000 0.627 221 A CB -0.983 18.002 19.000 -0.025 0.000 0.818 221 A HN 0.328 nan 8.150 nan 0.000 0.445 222 T N 0.204 114.726 114.554 -0.054 0.000 2.737 222 T HA -0.067 4.283 4.350 0.000 0.000 0.265 222 T C 1.811 176.452 174.700 -0.098 0.000 1.038 222 T CA 1.342 63.404 62.100 -0.063 0.000 1.144 222 T CB -0.252 68.725 68.868 0.182 0.000 0.866 222 T HN 0.307 nan 8.240 nan 0.000 0.434 223 I N 1.364 121.840 120.570 -0.156 0.000 2.226 223 I HA -0.084 4.086 4.170 0.000 0.000 0.245 223 I C 2.336 178.392 176.117 -0.101 0.000 1.100 223 I CA 1.221 62.438 61.300 -0.138 0.000 1.374 223 I CB -1.230 36.635 38.000 -0.226 0.000 1.057 223 I HN 0.289 nan 8.210 nan 0.000 0.413 224 L N 0.624 121.773 121.223 -0.124 0.000 2.017 224 L HA -0.190 4.150 4.340 0.000 0.000 0.208 224 L C 2.871 179.668 176.870 -0.122 0.000 1.073 224 L CA 1.520 56.282 54.840 -0.130 0.000 0.745 224 L CB -0.999 40.965 42.059 -0.157 0.000 0.894 224 L HN 0.181 nan 8.230 nan 0.000 0.432 225 A N 0.418 123.162 122.820 -0.126 0.000 1.917 225 A HA -0.168 4.152 4.320 0.000 0.000 0.219 225 A C 1.957 179.525 177.584 -0.026 0.000 1.182 225 A CA 2.062 54.031 52.037 -0.114 0.000 0.633 225 A CB -0.833 18.053 19.000 -0.190 0.000 0.819 225 A HN 0.379 nan 8.150 nan 0.000 0.448 226 V N -1.227 118.700 119.914 0.021 0.000 3.331 226 V HA 0.157 4.277 4.120 0.000 0.000 0.332 226 V C 1.471 177.629 176.094 0.107 0.000 1.341 226 V CA 0.920 63.335 62.300 0.192 0.000 1.218 226 V CB -0.898 31.060 31.823 0.226 0.000 1.152 226 V HN 0.586 nan 8.190 nan 0.000 0.445 227 S N 1.968 117.653 115.700 -0.026 0.000 2.481 227 S HA -0.175 4.295 4.470 0.000 0.000 0.231 227 S C 1.905 176.435 174.600 -0.117 0.000 0.996 227 S CA 0.994 59.164 58.200 -0.051 0.000 0.942 227 S CB -0.620 62.540 63.200 -0.066 0.000 0.768 227 S HN 0.869 nan 8.310 nan 0.000 0.520 228 R N 0.329 120.663 120.500 -0.278 0.000 2.316 228 R HA 0.111 4.451 4.340 0.000 0.000 0.202 228 R C 0.101 175.952 176.300 -0.748 0.000 1.029 228 R CA 0.739 56.540 56.100 -0.498 0.000 1.018 228 R CB -0.644 29.284 30.300 -0.620 0.000 0.888 228 R HN 0.559 nan 8.270 nan 0.000 0.471 229 F N 0.166 120.113 119.950 -0.004 0.000 2.805 229 F HA 0.483 5.010 4.527 0.000 0.000 0.317 229 F C 1.071 176.871 175.800 0.001 0.000 1.146 229 F CA -0.361 57.638 58.000 -0.001 0.000 1.265 229 F CB 1.188 40.185 39.000 -0.005 0.000 0.992 229 F HN 0.162 nan 8.300 nan 0.000 0.511 230 G N 0.455 109.299 108.800 0.073 0.000 2.136 230 G HA2 -0.285 3.675 3.960 0.000 0.000 0.242 230 G HA3 -0.285 3.675 3.960 0.000 0.000 0.242 230 G C 1.434 176.377 174.900 0.072 0.000 0.989 230 G CA 0.170 45.307 45.100 0.062 0.000 0.682 230 G HN 0.704 nan 8.290 nan 0.000 0.522 231 G N 1.343 110.197 108.800 0.090 0.000 2.505 231 G HA2 -0.236 3.724 3.960 0.000 0.000 0.220 231 G HA3 -0.236 3.724 3.960 0.000 0.000 0.220 231 G C 1.553 176.485 174.900 0.054 0.000 1.145 231 G CA 1.729 46.876 45.100 0.078 0.000 0.761 231 G HN 0.892 nan 8.290 nan 0.000 0.571 232 E N 1.007 121.225 120.200 0.029 0.000 2.265 232 E HA -0.145 4.205 4.350 0.000 0.000 0.196 232 E C 1.168 177.790 176.600 0.035 0.000 0.996 232 E CA 0.389 56.804 56.400 0.025 0.000 0.832 232 E CB -0.359 29.342 29.700 0.002 0.000 0.756 232 E HN 0.375 nan 8.360 nan 0.000 0.491 233 R N 1.750 122.270 120.500 0.034 0.000 4.154 233 R HA 0.102 4.442 4.340 0.000 0.000 0.186 233 R C 0.946 177.267 176.300 0.035 0.000 1.750 233 R CA -0.003 56.114 56.100 0.027 0.000 1.431 233 R CB -0.024 30.290 30.300 0.025 0.000 1.383 233 R HN 0.308 nan 8.270 nan 0.000 0.788 234 E N 0.835 121.058 120.200 0.038 0.000 2.072 234 E HA -0.159 4.191 4.350 0.000 0.000 0.190 234 E C 1.465 178.076 176.600 0.018 0.000 0.982 234 E CA 0.908 57.343 56.400 0.059 0.000 0.803 234 E CB 0.067 29.825 29.700 0.097 0.000 0.755 234 E HN 0.463 nan 8.360 nan 0.000 0.453 235 L N 0.881 122.091 121.223 -0.021 0.000 2.131 235 L HA -0.186 4.155 4.340 0.000 0.000 0.210 235 L C 2.466 179.331 176.870 -0.009 0.000 1.092 235 L CA 1.010 55.831 54.840 -0.033 0.000 0.759 235 L CB -0.162 41.866 42.059 -0.052 0.000 0.903 235 L HN 0.092 nan 8.230 nan 0.000 0.435 236 E N -0.420 119.781 120.200 0.002 0.000 2.216 236 E HA -0.157 4.193 4.350 0.000 0.000 0.192 236 E C 2.212 178.824 176.600 0.020 0.000 0.988 236 E CA 0.691 57.097 56.400 0.010 0.000 0.834 236 E CB 0.142 29.849 29.700 0.012 0.000 0.772 236 E HN 0.320 nan 8.360 nan 0.000 0.479 237 Q N -0.243 119.576 119.800 0.032 0.000 2.230 237 Q HA -0.072 4.268 4.340 0.000 0.000 0.202 237 Q C 2.189 178.213 176.000 0.040 0.000 0.963 237 Q CA 0.775 56.603 55.803 0.041 0.000 0.866 237 Q CB 0.078 28.850 28.738 0.058 0.000 0.931 237 Q HN 0.425 nan 8.270 nan 0.000 0.452 238 I N 0.652 121.243 120.570 0.035 0.000 2.133 238 I HA -0.239 3.931 4.170 0.000 0.000 0.238 238 I C 2.323 178.453 176.117 0.021 0.000 1.074 238 I CA 1.103 62.422 61.300 0.031 0.000 1.342 238 I CB -0.399 37.612 38.000 0.019 0.000 1.053 238 I HN 0.054 nan 8.210 nan 0.000 0.404 239 A N -0.907 121.920 122.820 0.012 0.000 2.076 239 A HA -0.219 4.101 4.320 0.000 0.000 0.220 239 A C 0.934 178.526 177.584 0.013 0.000 1.160 239 A CA 1.895 53.937 52.037 0.009 0.000 0.653 239 A CB -0.190 18.812 19.000 0.003 0.000 0.801 239 A HN 0.500 nan 8.150 nan 0.000 0.455 240 D N -1.553 118.857 120.400 0.017 0.000 3.361 240 D HA 0.060 4.700 4.640 0.000 0.000 0.246 240 D C -0.407 175.905 176.300 0.020 0.000 1.395 240 D CA -0.441 53.569 54.000 0.017 0.000 0.839 240 D CB -0.267 40.542 40.800 0.015 0.000 1.469 240 D HN 0.251 nan 8.370 nan 0.000 0.636 241 R N 0.479 120.992 120.500 0.021 0.000 2.478 241 R HA 0.223 4.563 4.340 0.000 0.000 0.281 241 R C 0.234 176.541 176.300 0.013 0.000 0.939 241 R CA 1.136 57.248 56.100 0.020 0.000 1.120 241 R CB 0.258 30.568 30.300 0.017 0.000 0.885 241 R HN 0.374 nan 8.270 nan 0.000 0.415 242 G N 0.491 109.298 108.800 0.011 0.000 3.140 242 G HA2 0.122 4.082 3.960 0.000 0.000 0.271 242 G HA3 0.122 4.082 3.960 0.000 0.000 0.271 242 G C 0.325 175.205 174.900 -0.033 0.000 1.370 242 G CA -0.108 44.994 45.100 0.004 0.000 1.014 242 G HN 0.539 nan 8.290 nan 0.000 0.541 243 T N -0.584 113.929 114.554 -0.069 0.000 3.035 243 T HA 0.076 4.426 4.350 0.000 0.000 0.268 243 T C 2.454 176.967 174.700 -0.313 0.000 1.109 243 T CA 2.088 64.069 62.100 -0.199 0.000 1.119 243 T CB -0.521 68.188 68.868 -0.265 0.000 0.900 243 T HN 0.666 nan 8.240 nan 0.000 0.503 244 A N 1.233 123.960 122.820 -0.155 0.000 1.865 244 A HA 0.175 4.495 4.320 0.000 0.000 0.217 244 A C 2.746 180.307 177.584 -0.039 0.000 1.191 244 A CA 1.989 54.004 52.037 -0.037 0.000 0.623 244 A CB -1.405 17.688 19.000 0.155 0.000 0.826 244 A HN 0.648 nan 8.150 nan 0.000 0.444 245 A N -0.370 122.443 122.820 -0.011 0.000 1.972 245 A HA -0.160 4.160 4.320 0.000 0.000 0.219 245 A C 1.932 179.501 177.584 -0.025 0.000 1.169 245 A CA 1.639 53.682 52.037 0.011 0.000 0.635 245 A CB -0.472 18.547 19.000 0.031 0.000 0.810 245 A HN 0.673 nan 8.150 nan 0.000 0.446 246 E N -0.551 119.604 120.200 -0.075 0.000 2.076 246 E HA -0.121 4.229 4.350 0.000 0.000 0.190 246 E C 2.306 178.805 176.600 -0.169 0.000 0.979 246 E CA 0.798 57.135 56.400 -0.105 0.000 0.807 246 E CB -0.165 29.469 29.700 -0.111 0.000 0.761 246 E HN 0.546 nan 8.360 nan 0.000 0.454 247 R N 0.876 121.245 120.500 -0.218 0.000 2.081 247 R HA -0.080 4.260 4.340 0.000 0.000 0.235 247 R C 2.402 178.595 176.300 -0.178 0.000 1.131 247 R CA 1.166 57.111 56.100 -0.257 0.000 0.960 247 R CB -0.317 29.792 30.300 -0.317 0.000 0.856 247 R HN 0.095 nan 8.270 nan 0.000 0.436 248 A N 1.397 124.169 122.820 -0.081 0.000 1.858 248 A HA -0.157 4.163 4.320 0.000 0.000 0.216 248 A C 2.417 180.074 177.584 0.121 0.000 1.190 248 A CA 1.783 53.839 52.037 0.032 0.000 0.617 248 A CB -0.958 18.095 19.000 0.088 0.000 0.827 248 A HN 0.393 nan 8.150 nan 0.000 0.443 249 A N -0.482 122.373 122.820 0.059 0.000 1.927 249 A HA -0.148 4.172 4.320 0.000 0.000 0.220 249 A C 2.163 179.713 177.584 -0.058 0.000 1.185 249 A CA 1.854 53.922 52.037 0.050 0.000 0.639 249 A CB -0.654 18.351 19.000 0.009 0.000 0.820 249 A HN 0.501 nan 8.150 nan 0.000 0.451 250 L N -2.454 118.613 121.223 -0.259 0.000 2.270 250 L HA 0.013 4.353 4.340 0.000 0.000 0.210 250 L C 2.314 178.734 176.870 -0.750 0.000 1.104 250 L CA 0.709 55.160 54.840 -0.648 0.000 0.804 250 L CB -0.414 41.028 42.059 -1.028 0.000 0.937 250 L HN 0.500 nan 8.230 nan 0.000 0.450 251 F N 0.200 119.794 119.950 -0.594 0.000 2.120 251 F HA -0.283 4.244 4.527 0.000 0.000 0.300 251 F C 1.885 177.385 175.800 -0.500 0.000 1.095 251 F CA 1.813 59.475 58.000 -0.564 0.000 1.249 251 F CB -0.287 38.314 39.000 -0.665 0.000 0.995 251 F HN 0.001 nan 8.300 nan 0.000 0.480 252 W N 0.837 122.066 121.300 -0.117 0.000 2.523 252 W HA 0.013 4.673 4.660 0.000 0.000 0.278 252 W C 2.718 179.085 176.519 -0.254 0.000 1.236 252 W CA 0.971 58.208 57.345 -0.179 0.000 1.306 252 W CB -0.267 29.125 29.460 -0.113 0.000 1.101 252 W HN -0.019 nan 8.180 nan 0.000 0.577 253 R N -0.583 119.902 120.500 -0.025 0.000 2.100 253 R HA -0.085 4.255 4.340 0.000 0.000 0.220 253 R C 1.704 178.084 176.300 0.133 0.000 1.091 253 R CA 1.235 57.356 56.100 0.035 0.000 0.986 253 R CB -1.226 29.107 30.300 0.055 0.000 0.888 253 R HN 0.049 nan 8.270 nan 0.000 0.444 254 W N 1.818 123.042 121.300 -0.127 0.000 2.374 254 W HA 0.012 4.672 4.660 0.000 0.000 0.288 254 W C 1.962 178.342 176.519 -0.232 0.000 1.218 254 W CA 1.122 58.368 57.345 -0.166 0.000 1.245 254 W CB -1.072 28.272 29.460 -0.192 0.000 1.126 254 W HN 0.151 nan 8.180 nan 0.000 0.545 255 T N 0.561 115.013 114.554 -0.169 0.000 2.770 255 T HA -0.101 4.249 4.350 0.000 0.000 0.258 255 T C 1.711 176.405 174.700 -0.009 0.000 1.039 255 T CA 1.866 63.834 62.100 -0.222 0.000 1.143 255 T CB -0.259 68.270 68.868 -0.565 0.000 0.866 255 T HN 0.221 nan 8.240 nan 0.000 0.428 256 M N -0.917 118.721 119.600 0.064 0.000 2.300 256 M HA 0.551 5.031 4.480 0.000 0.000 0.313 256 M C 1.159 177.603 176.300 0.241 0.000 0.988 256 M CA 0.350 55.739 55.300 0.148 0.000 1.012 256 M CB 1.118 33.825 32.600 0.178 0.000 1.586 256 M HN 0.321 nan 8.290 nan 0.000 0.562 257 G N 2.349 111.264 108.800 0.192 0.000 2.157 257 G HA2 -0.235 3.725 3.960 0.000 0.000 0.239 257 G HA3 -0.235 3.725 3.960 0.000 0.000 0.239 257 G C -0.313 174.805 174.900 0.364 0.000 0.982 257 G CA 0.338 45.587 45.100 0.248 0.000 0.650 257 G HN 0.893 nan 8.290 nan 0.000 0.527 258 F N -0.548 119.457 119.950 0.092 0.000 2.741 258 F HA 0.745 5.272 4.527 0.000 0.000 0.311 258 F C -0.912 174.946 175.800 0.096 0.000 1.149 258 F CA -1.108 56.944 58.000 0.086 0.000 0.930 258 F CB 0.628 39.671 39.000 0.072 0.000 1.312 258 F HN 0.438 nan 8.300 nan 0.000 0.450 259 N N 1.355 120.008 118.700 -0.079 0.000 3.277 259 N HA 0.786 5.526 4.740 0.000 0.000 0.278 259 N C -1.972 173.567 175.510 0.048 0.000 1.544 259 N CA -0.608 52.368 53.050 -0.124 0.000 0.869 259 N CB 1.781 40.273 38.487 0.009 0.000 1.584 259 N HN 1.165 nan 8.380 nan 0.000 0.564 260 A N -0.197 122.649 122.820 0.043 0.000 2.387 260 A HA 0.778 5.098 4.320 0.000 0.000 0.298 260 A C -0.105 177.547 177.584 0.114 0.000 1.165 260 A CA -0.347 51.771 52.037 0.136 0.000 0.814 260 A CB 0.818 19.895 19.000 0.127 0.000 1.357 260 A HN 0.808 nan 8.150 nan 0.000 0.443 261 T N -2.337 112.295 114.554 0.129 0.000 2.912 261 T HA 0.423 4.773 4.350 0.000 0.000 0.280 261 T C 0.944 175.715 174.700 0.119 0.000 0.989 261 T CA -0.062 62.103 62.100 0.108 0.000 0.995 261 T CB 0.820 69.747 68.868 0.099 0.000 1.077 261 T HN 0.507 nan 8.240 nan 0.000 0.531 262 M N 0.150 119.824 119.600 0.124 0.000 2.229 262 M HA 0.032 4.512 4.480 0.000 0.000 0.264 262 M C 2.153 178.597 176.300 0.240 0.000 1.063 262 M CA 1.581 56.985 55.300 0.174 0.000 1.114 262 M CB -0.669 32.018 32.600 0.145 0.000 1.387 262 M HN 0.900 nan 8.290 nan 0.000 0.420 263 E N -1.117 119.182 120.200 0.164 0.000 2.021 263 E HA -0.091 4.259 4.350 0.000 0.000 0.189 263 E C 1.934 178.645 176.600 0.185 0.000 0.980 263 E CA 1.102 57.601 56.400 0.164 0.000 0.803 263 E CB -0.560 29.189 29.700 0.082 0.000 0.766 263 E HN 0.575 nan 8.360 nan 0.000 0.449 264 G N 1.389 110.267 108.800 0.130 0.000 2.479 264 G HA2 -0.262 3.698 3.960 0.000 0.000 0.220 264 G HA3 -0.262 3.698 3.960 0.000 0.000 0.220 264 G C 1.507 176.501 174.900 0.158 0.000 1.115 264 G CA 0.730 45.896 45.100 0.110 0.000 0.757 264 G HN 0.336 nan 8.290 nan 0.000 0.560 265 I N 0.672 121.313 120.570 0.119 0.000 2.335 265 I HA -0.151 4.019 4.170 0.000 0.000 0.251 265 I C 2.277 178.265 176.117 -0.215 0.000 1.129 265 I CA 1.223 62.505 61.300 -0.030 0.000 1.402 265 I CB -0.381 37.443 38.000 -0.294 0.000 1.069 265 I HN 0.314 nan 8.210 nan 0.000 0.424 266 H N -0.509 118.526 119.070 -0.057 0.000 2.502 266 H HA 0.106 4.662 4.556 0.000 0.000 0.283 266 H C 2.266 177.584 175.328 -0.018 0.000 1.015 266 H CA 0.903 56.892 56.048 -0.098 0.000 1.298 266 H CB -0.071 29.631 29.762 -0.100 0.000 1.411 266 H HN 0.276 nan 8.280 nan 0.000 0.556 267 R N -0.316 120.257 120.500 0.121 0.000 2.073 267 R HA -0.125 4.215 4.340 0.000 0.000 0.229 267 R C 1.565 177.969 176.300 0.172 0.000 1.120 267 R CA 1.367 57.543 56.100 0.126 0.000 0.967 267 R CB -0.346 30.000 30.300 0.077 0.000 0.862 267 R HN 0.380 nan 8.270 nan 0.000 0.436 268 W N 1.055 122.404 121.300 0.081 0.000 2.318 268 W HA -0.237 4.423 4.660 0.000 0.000 0.313 268 W C 2.614 179.144 176.519 0.017 0.000 1.221 268 W CA 1.218 58.595 57.345 0.053 0.000 1.266 268 W CB -0.324 29.112 29.460 -0.040 0.000 1.150 268 W HN 0.208 nan 8.180 nan 0.000 0.496 269 A N 0.077 122.980 122.820 0.139 0.000 1.858 269 A HA -0.220 4.100 4.320 0.000 0.000 0.216 269 A C 1.929 179.522 177.584 0.015 0.000 1.190 269 A CA 1.769 53.788 52.037 -0.030 0.000 0.617 269 A CB -1.082 17.767 19.000 -0.252 0.000 0.827 269 A HN 0.364 nan 8.150 nan 0.000 0.443 270 I N -2.234 118.341 120.570 0.009 0.000 2.394 270 I HA -0.240 3.930 4.170 0.000 0.000 0.251 270 I C 2.243 178.315 176.117 -0.075 0.000 1.136 270 I CA 1.289 62.552 61.300 -0.061 0.000 1.425 270 I CB -0.096 37.833 38.000 -0.119 0.000 1.079 270 I HN 0.619 nan 8.210 nan 0.000 0.425 271 W N -0.046 121.262 121.300 0.012 0.000 2.409 271 W HA -0.200 4.460 4.660 0.000 0.000 0.299 271 W C 2.480 178.971 176.519 -0.048 0.000 1.203 271 W CA 0.784 58.112 57.345 -0.028 0.000 1.298 271 W CB -0.310 29.114 29.460 -0.061 0.000 1.127 271 W HN 0.120 nan 8.180 nan 0.000 0.528 272 M N 1.192 120.959 119.600 0.278 0.000 2.088 272 M HA -0.236 4.244 4.480 0.000 0.000 0.256 272 M C 2.075 178.471 176.300 0.159 0.000 1.071 272 M CA 2.590 58.035 55.300 0.241 0.000 1.097 272 M CB -1.061 31.699 32.600 0.266 0.000 1.315 272 M HN -0.019 nan 8.290 nan 0.000 0.406 273 A N -1.226 121.669 122.820 0.125 0.000 1.841 273 A HA -0.106 4.214 4.320 0.000 0.000 0.214 273 A C 2.224 179.855 177.584 0.079 0.000 1.195 273 A CA 1.974 54.078 52.037 0.111 0.000 0.611 273 A CB -1.402 17.648 19.000 0.084 0.000 0.835 273 A HN 0.381 nan 8.150 nan 0.000 0.443 274 V N 0.044 119.976 119.914 0.030 0.000 2.546 274 V HA -0.226 3.894 4.120 0.000 0.000 0.254 274 V C 2.300 178.412 176.094 0.030 0.000 1.076 274 V CA 1.897 64.201 62.300 0.007 0.000 1.087 274 V CB -0.555 31.187 31.823 -0.136 0.000 0.674 274 V HN 0.546 nan 8.190 nan 0.000 0.470 275 L N -1.288 119.907 121.223 -0.046 0.000 2.554 275 L HA -0.012 4.328 4.340 0.000 0.000 0.226 275 L C 2.082 178.910 176.870 -0.070 0.000 1.137 275 L CA 0.037 54.743 54.840 -0.223 0.000 0.863 275 L CB -0.155 41.352 42.059 -0.919 0.000 0.985 275 L HN 0.175 nan 8.230 nan 0.000 0.451 276 V N -0.018 119.950 119.914 0.089 0.000 2.223 276 V HA -0.282 3.838 4.120 0.000 0.000 0.244 276 V C 2.564 178.763 176.094 0.174 0.000 1.045 276 V CA 2.600 65.019 62.300 0.198 0.000 1.000 276 V CB -0.849 31.081 31.823 0.179 0.000 0.635 276 V HN 0.622 nan 8.190 nan 0.000 0.445 277 T N -1.713 112.938 114.554 0.161 0.000 3.085 277 T HA -0.022 4.329 4.350 0.000 0.000 0.263 277 T C 1.724 176.593 174.700 0.282 0.000 1.127 277 T CA 0.972 63.181 62.100 0.181 0.000 1.103 277 T CB -0.146 68.827 68.868 0.175 0.000 0.921 277 T HN 0.256 nan 8.240 nan 0.000 0.510 278 L N 2.141 123.526 121.223 0.271 0.000 1.993 278 L HA -0.031 4.309 4.340 0.000 0.000 0.206 278 L C 3.050 180.124 176.870 0.339 0.000 1.074 278 L CA 2.037 57.075 54.840 0.330 0.000 0.746 278 L CB -0.824 41.334 42.059 0.166 0.000 0.896 278 L HN 0.433 nan 8.230 nan 0.000 0.435 279 T N -3.169 111.549 114.554 0.273 0.000 2.720 279 T HA -0.144 4.206 4.350 0.000 0.000 0.268 279 T C 1.920 176.772 174.700 0.253 0.000 1.037 279 T CA 1.059 63.364 62.100 0.341 0.000 1.144 279 T CB -1.521 67.627 68.868 0.467 0.000 0.864 279 T HN 0.432 nan 8.240 nan 0.000 0.444 280 G N 1.327 110.251 108.800 0.207 0.000 2.446 280 G HA2 0.039 3.999 3.960 0.000 0.000 0.217 280 G HA3 0.039 3.999 3.960 0.000 0.000 0.217 280 G C 1.744 176.663 174.900 0.031 0.000 1.168 280 G CA 0.700 45.871 45.100 0.118 0.000 0.771 280 G HN 0.690 nan 8.290 nan 0.000 0.551 281 G N 0.567 109.361 108.800 -0.009 0.000 2.448 281 G HA2 -0.038 3.922 3.960 0.000 0.000 0.218 281 G HA3 -0.038 3.922 3.960 0.000 0.000 0.218 281 G C 1.730 176.512 174.900 -0.196 0.000 1.135 281 G CA 0.584 45.491 45.100 -0.322 0.000 0.784 281 G HN 0.454 nan 8.290 nan 0.000 0.543 282 I N 1.261 121.847 120.570 0.027 0.000 2.163 282 I HA -0.066 4.104 4.170 0.000 0.000 0.240 282 I C 3.109 179.090 176.117 -0.227 0.000 1.081 282 I CA 1.082 62.291 61.300 -0.152 0.000 1.353 282 I CB -0.503 37.159 38.000 -0.564 0.000 1.054 282 I HN 0.212 nan 8.210 nan 0.000 0.407 283 G N 1.536 110.236 108.800 -0.166 0.000 2.476 283 G HA2 -0.230 3.730 3.960 0.000 0.000 0.218 283 G HA3 -0.230 3.730 3.960 0.000 0.000 0.218 283 G C 1.571 176.522 174.900 0.086 0.000 1.164 283 G CA 0.710 45.813 45.100 0.005 0.000 0.768 283 G HN 0.201 nan 8.290 nan 0.000 0.560 284 I N 0.382 120.975 120.570 0.038 0.000 2.252 284 I HA -0.039 4.131 4.170 0.000 0.000 0.245 284 I C 2.591 178.767 176.117 0.098 0.000 1.102 284 I CA 0.648 61.995 61.300 0.078 0.000 1.385 284 I CB -1.091 36.869 38.000 -0.065 0.000 1.064 284 I HN 0.164 nan 8.210 nan 0.000 0.414 285 L N 0.658 121.880 121.223 -0.002 0.000 2.156 285 L HA -0.057 4.283 4.340 0.000 0.000 0.208 285 L C 2.249 179.153 176.870 0.057 0.000 1.095 285 L CA 1.544 56.382 54.840 -0.003 0.000 0.770 285 L CB -0.528 41.502 42.059 -0.049 0.000 0.914 285 L HN 0.092 nan 8.230 nan 0.000 0.439 286 L N -0.838 120.440 121.223 0.092 0.000 2.275 286 L HA -0.053 4.287 4.340 0.000 0.000 0.215 286 L C 0.801 177.735 176.870 0.105 0.000 1.119 286 L CA 0.100 55.014 54.840 0.124 0.000 0.790 286 L CB -0.501 41.693 42.059 0.225 0.000 0.919 286 L HN 0.115 nan 8.230 nan 0.000 0.443 287 S N 0.161 115.950 115.700 0.149 0.000 2.481 287 S HA 0.391 4.862 4.470 0.000 0.000 0.276 287 S C 1.138 175.696 174.600 -0.070 0.000 1.247 287 S CA 0.242 58.429 58.200 -0.022 0.000 1.053 287 S CB 1.080 64.204 63.200 -0.127 0.000 0.925 287 S HN 0.530 nan 8.310 nan 0.000 0.491 288 G N 2.939 111.762 108.800 0.040 0.000 2.234 288 G HA2 -0.359 3.601 3.960 0.000 0.000 0.260 288 G HA3 -0.359 3.601 3.960 0.000 0.000 0.260 288 G C 0.882 175.794 174.900 0.021 0.000 0.987 288 G CA 0.875 46.051 45.100 0.128 0.000 0.625 288 G HN 0.811 nan 8.290 nan 0.000 0.532 289 T N -2.822 111.734 114.554 0.003 0.000 2.988 289 T HA 0.404 4.754 4.350 0.000 0.000 0.240 289 T C 2.048 176.735 174.700 -0.022 0.000 1.014 289 T CA 1.752 63.849 62.100 -0.005 0.000 1.155 289 T CB 0.132 69.007 68.868 0.012 0.000 0.872 289 T HN 0.551 nan 8.240 nan 0.000 0.440 290 V N 0.439 120.330 119.914 -0.039 0.000 3.219 290 V HA 0.375 4.495 4.120 0.000 0.000 0.240 290 V C 0.279 176.301 176.094 -0.119 0.000 1.222 290 V CA -0.049 62.224 62.300 -0.045 0.000 1.181 290 V CB 1.018 32.838 31.823 -0.006 0.000 0.941 290 V HN 0.330 nan 8.190 nan 0.000 0.471 291 V N 0.643 120.402 119.914 -0.258 0.000 2.487 291 V HA 0.470 4.590 4.120 0.000 0.000 0.298 291 V C 0.152 176.019 176.094 -0.379 0.000 1.028 291 V CA -0.379 61.635 62.300 -0.478 0.000 0.860 291 V CB 1.885 32.945 31.823 -1.271 0.000 0.991 291 V HN 0.210 nan 8.190 nan 0.000 0.427 292 D N 2.055 122.298 120.400 -0.262 0.000 2.355 292 D HA 0.085 4.725 4.640 0.000 0.000 0.206 292 D C 0.345 176.546 176.300 -0.166 0.000 1.010 292 D CA 0.749 54.651 54.000 -0.162 0.000 0.875 292 D CB 0.591 41.311 40.800 -0.133 0.000 0.966 292 D HN 0.500 nan 8.370 nan 0.000 0.512 293 N N -0.341 118.229 118.700 -0.217 0.000 2.533 293 N HA 0.018 4.758 4.740 0.000 0.000 0.289 293 N C -0.084 175.395 175.510 -0.052 0.000 1.103 293 N CA -0.376 52.627 53.050 -0.078 0.000 0.877 293 N CB 0.622 39.102 38.487 -0.013 0.000 1.419 293 N HN -0.111 nan 8.380 nan 0.000 0.517 294 W N 2.054 123.470 121.300 0.194 0.000 2.381 294 W HA -0.116 4.544 4.660 0.000 0.000 0.301 294 W C 1.826 178.502 176.519 0.261 0.000 1.205 294 W CA 0.559 58.055 57.345 0.252 0.000 1.285 294 W CB -0.300 29.309 29.460 0.247 0.000 1.133 294 W HN 0.675 nan 8.180 nan 0.000 0.521 295 Y N 1.059 121.486 120.300 0.213 0.000 2.030 295 Y HA -0.391 4.159 4.550 0.000 0.000 0.272 295 Y C 2.255 178.057 175.900 -0.164 0.000 1.185 295 Y CA 2.360 60.260 58.100 -0.333 0.000 1.120 295 Y CB -1.116 37.125 38.460 -0.364 0.000 0.955 295 Y HN -0.219 nan 8.280 nan 0.000 0.495 296 V N -0.573 119.251 119.914 -0.149 0.000 2.215 296 V HA -0.377 3.743 4.120 0.000 0.000 0.246 296 V C 2.094 178.071 176.094 -0.195 0.000 1.047 296 V CA 2.196 64.359 62.300 -0.228 0.000 0.999 296 V CB -1.398 30.382 31.823 -0.071 0.000 0.635 296 V HN 0.754 nan 8.190 nan 0.000 0.450 297 W N 1.076 122.241 121.300 -0.224 0.000 2.257 297 W HA -0.332 4.328 4.660 0.000 0.000 0.325 297 W C 2.295 178.686 176.519 -0.212 0.000 1.296 297 W CA 2.717 59.959 57.345 -0.172 0.000 1.297 297 W CB -0.894 28.461 29.460 -0.175 0.000 1.131 297 W HN 0.332 nan 8.180 nan 0.000 0.492 298 G N -0.757 108.072 108.800 0.049 0.000 2.450 298 G HA2 -0.301 3.659 3.960 0.000 0.000 0.220 298 G HA3 -0.301 3.659 3.960 0.000 0.000 0.220 298 G C 1.395 175.851 174.900 -0.741 0.000 1.130 298 G CA 1.122 46.044 45.100 -0.296 0.000 0.760 298 G HN 0.328 nan 8.290 nan 0.000 0.557 299 Q N 0.867 120.291 119.800 -0.627 0.000 2.016 299 Q HA -0.092 4.248 4.340 0.000 0.000 0.200 299 Q C 2.467 178.190 176.000 -0.460 0.000 0.978 299 Q CA 1.834 57.319 55.803 -0.529 0.000 0.833 299 Q CB -0.256 28.170 28.738 -0.520 0.000 0.895 299 Q HN 0.743 nan 8.270 nan 0.000 0.427 300 N N -1.949 116.470 118.700 -0.470 0.000 2.463 300 N HA -0.073 4.667 4.740 0.000 0.000 0.183 300 N C -0.454 174.858 175.510 -0.330 0.000 1.064 300 N CA 0.834 53.697 53.050 -0.311 0.000 0.879 300 N CB -0.075 38.289 38.487 -0.206 0.000 1.148 300 N HN 0.219 nan 8.380 nan 0.000 0.451 301 H N -2.327 116.298 119.070 -0.742 0.000 3.011 301 H HA 0.064 4.620 4.556 0.000 0.000 0.279 301 H C 0.168 174.995 175.328 -0.835 0.000 1.286 301 H CA 0.491 55.739 56.048 -1.334 0.000 1.135 301 H CB -1.553 27.657 29.762 -0.919 0.000 1.309 301 H HN 0.632 nan 8.280 nan 0.000 0.393 302 G N 0.000 108.519 108.800 -0.468 0.000 5.446 302 G HA2 0.000 3.960 3.960 0.000 0.000 0.244 302 G HA3 0.000 3.960 3.960 0.000 0.000 0.244 302 G CA 0.000 45.024 45.100 -0.127 0.000 0.502 302 G HN 0.000 nan 8.290 nan 0.000 0.925