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 3py0_1_A DATA FIRST_RESID 1 DATA SEQUENCE MENFQKVEKI GEGTYGVVYK ARNKLTGEVV ALKKIRXXXX TEGVPSTAIR DATA SEQUENCE EISLLKELNH PNIVKLLDVI HTENKLYLVF EFLHQDLKKF MDASALTGIP DATA SEQUENCE LPLIKSYLFQ LLQGLAFCHS HRVLHRDLKP QNLLINTEGA IKLADFGLAR DATA SEQUENCE AFGVPVRTYT HEVVTLWYRA PEILLGCKYY STAVDIWSLG CIFAEMVTRR DATA SEQUENCE ALFPGDSEID QLFRIFRTLG TPDEVVWPGV TSMPDYKPSF PKWARQDFSK DATA SEQUENCE VVPPLDEDGR SLLSQMLHYD PNKRISAKAA LAHPFFQDVT KPVPHLRL 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 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.293 176.300 -0.011 0.000 1.140 1 M CA 0.000 55.281 55.300 -0.033 0.000 0.988 1 M CB 0.000 32.589 32.600 -0.018 0.000 1.302 2 E N 1.358 121.525 120.200 -0.054 0.000 2.331 2 E HA -0.005 4.344 4.350 -0.000 0.000 0.199 2 E C 1.119 177.635 176.600 -0.140 0.000 1.008 2 E CA 0.843 57.199 56.400 -0.074 0.000 0.843 2 E CB -0.007 29.652 29.700 -0.069 0.000 0.761 2 E HN 0.530 nan 8.360 nan 0.000 0.507 3 N N -0.490 118.069 118.700 -0.235 0.000 2.446 3 N HA -0.017 4.723 4.740 -0.000 0.000 0.179 3 N C 0.100 175.168 175.510 -0.737 0.000 1.054 3 N CA 0.472 53.208 53.050 -0.523 0.000 0.905 3 N CB 0.280 38.317 38.487 -0.751 0.000 0.973 3 N HN 0.032 nan 8.380 nan 0.000 0.448 4 F N 0.241 120.142 119.950 -0.081 0.000 2.654 4 F HA 0.418 4.945 4.527 -0.000 0.000 0.334 4 F C -0.173 175.586 175.800 -0.068 0.000 1.078 4 F CA -0.970 56.989 58.000 -0.069 0.000 0.986 4 F CB 1.227 40.185 39.000 -0.069 0.000 1.362 4 F HN -0.343 nan 8.300 nan 0.000 0.498 5 Q N 0.701 120.607 119.800 0.177 0.000 2.320 5 Q HA 0.345 4.685 4.340 -0.000 0.000 0.268 5 Q C -1.261 174.764 176.000 0.041 0.000 1.023 5 Q CA -1.299 54.542 55.803 0.064 0.000 0.744 5 Q CB 1.932 30.692 28.738 0.036 0.000 1.246 5 Q HN 0.341 nan 8.270 nan 0.000 0.462 6 K N 1.350 121.742 120.400 -0.013 0.000 2.083 6 K HA 0.088 4.408 4.320 -0.000 0.000 0.246 6 K C 0.485 177.091 176.600 0.010 0.000 1.160 6 K CA -0.202 56.061 56.287 -0.040 0.000 1.060 6 K CB -0.271 32.115 32.500 -0.189 0.000 1.417 6 K HN 0.307 nan 8.250 nan 0.000 0.329 7 V N 1.195 121.120 119.914 0.018 0.000 2.278 7 V HA -0.304 3.816 4.120 -0.000 0.000 0.251 7 V C 0.873 176.996 176.094 0.048 0.000 1.062 7 V CA 2.124 64.433 62.300 0.015 0.000 1.038 7 V CB -1.163 30.646 31.823 -0.023 0.000 0.646 7 V HN 1.004 nan 8.190 nan 0.000 0.447 8 E N -0.771 119.485 120.200 0.094 0.000 2.419 8 E HA 0.325 4.675 4.350 -0.000 0.000 0.285 8 E C -0.982 175.749 176.600 0.219 0.000 1.079 8 E CA -1.005 55.476 56.400 0.134 0.000 0.864 8 E CB 1.052 30.810 29.700 0.096 0.000 1.216 8 E HN 0.358 nan 8.360 nan 0.000 0.428 9 K N 2.432 122.978 120.400 0.244 0.000 2.326 9 K HA 0.350 4.670 4.320 -0.000 0.000 0.275 9 K C 0.690 177.337 176.600 0.077 0.000 1.018 9 K CA -0.061 56.338 56.287 0.187 0.000 0.962 9 K CB 0.636 33.200 32.500 0.107 0.000 0.953 9 K HN 0.687 nan 8.250 nan 0.000 0.475 10 I N -1.497 119.086 120.570 0.021 0.000 4.240 10 I HA 0.461 4.631 4.170 -0.000 0.000 0.331 10 I C 0.178 176.286 176.117 -0.015 0.000 1.381 10 I CA -0.578 60.747 61.300 0.042 0.000 1.136 10 I CB 0.675 38.746 38.000 0.119 0.000 1.137 10 I HN 0.783 nan 8.210 nan 0.000 0.411 11 G N 1.361 110.118 108.800 -0.071 0.000 2.358 11 G HA2 0.190 4.150 3.960 -0.000 0.000 0.301 11 G HA3 0.190 4.150 3.960 -0.000 0.000 0.301 11 G C -2.056 172.779 174.900 -0.108 0.000 1.539 11 G CA -0.684 44.369 45.100 -0.077 0.000 0.893 11 G HN 0.198 nan 8.290 nan 0.000 0.636 12 E N 0.154 120.305 120.200 -0.081 0.000 2.182 12 E HA 0.583 4.933 4.350 -0.000 0.000 0.258 12 E C 0.562 177.134 176.600 -0.047 0.000 0.879 12 E CA -0.572 55.788 56.400 -0.066 0.000 0.754 12 E CB 1.150 30.808 29.700 -0.070 0.000 1.162 12 E HN 0.834 nan 8.360 nan 0.000 0.419 13 G N 1.169 109.957 108.800 -0.020 0.000 2.502 13 G HA2 0.039 3.999 3.960 -0.000 0.000 0.305 13 G HA3 0.039 3.999 3.960 -0.000 0.000 0.305 13 G C 0.755 175.645 174.900 -0.016 0.000 1.190 13 G CA -0.205 44.890 45.100 -0.009 0.000 0.933 13 G HN 0.519 nan 8.290 nan 0.000 0.503 14 T N -1.144 113.371 114.554 -0.064 0.000 2.929 14 T HA -0.133 4.217 4.350 -0.000 0.000 0.271 14 T C 1.351 175.884 174.700 -0.279 0.000 1.085 14 T CA 1.586 63.571 62.100 -0.193 0.000 1.125 14 T CB -0.300 68.392 68.868 -0.293 0.000 0.874 14 T HN 0.427 nan 8.240 nan 0.000 0.494 15 Y N 0.223 120.504 120.300 -0.032 0.000 2.449 15 Y HA 0.507 5.057 4.550 -0.000 0.000 0.254 15 Y C 1.328 177.161 175.900 -0.112 0.000 1.140 15 Y CA 0.048 58.089 58.100 -0.099 0.000 1.272 15 Y CB 0.821 39.224 38.460 -0.095 0.000 1.114 15 Y HN 0.372 nan 8.280 nan 0.000 0.525 16 G N -0.855 108.003 108.800 0.096 0.000 2.324 16 G HA2 0.295 4.255 3.960 -0.000 0.000 0.293 16 G HA3 0.295 4.255 3.960 -0.000 0.000 0.293 16 G C -2.095 172.849 174.900 0.073 0.000 1.297 16 G CA -0.598 44.536 45.100 0.056 0.000 0.853 16 G HN -0.092 nan 8.290 nan 0.000 0.535 17 V N -0.488 119.449 119.914 0.039 0.000 2.612 17 V HA 0.800 4.920 4.120 -0.000 0.000 0.301 17 V C -0.316 175.635 176.094 -0.239 0.000 1.046 17 V CA -0.516 61.715 62.300 -0.115 0.000 0.946 17 V CB 1.538 33.256 31.823 -0.175 0.000 1.003 17 V HN 0.921 nan 8.190 nan 0.000 0.459 18 V N 6.713 126.441 119.914 -0.309 0.000 2.604 18 V HA 0.573 4.693 4.120 -0.000 0.000 0.305 18 V C -1.164 174.744 176.094 -0.310 0.000 1.043 18 V CA -0.599 61.584 62.300 -0.196 0.000 0.888 18 V CB 1.617 33.407 31.823 -0.054 0.000 0.995 18 V HN 0.863 nan 8.190 nan 0.000 0.429 19 Y N 1.775 122.128 120.300 0.089 0.000 2.524 19 Y HA 0.533 5.083 4.550 -0.000 0.000 0.344 19 Y C 0.189 176.133 175.900 0.072 0.000 1.012 19 Y CA -0.991 57.153 58.100 0.073 0.000 1.068 19 Y CB 1.700 40.191 38.460 0.052 0.000 1.249 19 Y HN 0.499 nan 8.280 nan 0.000 0.468 20 K N 1.851 122.390 120.400 0.232 0.000 2.276 20 K HA 0.787 5.107 4.320 -0.000 0.000 0.283 20 K C -1.077 175.543 176.600 0.033 0.000 1.044 20 K CA -0.186 56.160 56.287 0.097 0.000 0.944 20 K CB 0.476 32.977 32.500 0.002 0.000 1.012 20 K HN 0.846 nan 8.250 nan 0.000 0.472 21 A N 3.990 126.788 122.820 -0.035 0.000 2.556 21 A HA 0.547 4.867 4.320 -0.000 0.000 0.294 21 A C -1.462 176.138 177.584 0.028 0.000 1.091 21 A CA -0.915 51.111 52.037 -0.018 0.000 0.704 21 A CB 1.535 20.473 19.000 -0.104 0.000 1.300 21 A HN 0.833 nan 8.150 nan 0.000 0.406 22 R N 1.332 121.906 120.500 0.123 0.000 2.494 22 R HA 0.323 4.663 4.340 -0.000 0.000 0.305 22 R C -0.816 175.644 176.300 0.267 0.000 0.959 22 R CA -0.592 55.591 56.100 0.140 0.000 0.864 22 R CB 0.952 31.278 30.300 0.043 0.000 1.159 22 R HN 0.776 nan 8.270 nan 0.000 0.446 23 N N 3.998 122.844 118.700 0.244 0.000 2.402 23 N HA -0.013 4.727 4.740 -0.000 0.000 0.259 23 N C 0.050 175.518 175.510 -0.070 0.000 1.167 23 N CA 0.376 53.439 53.050 0.021 0.000 0.949 23 N CB 0.865 39.372 38.487 0.033 0.000 1.212 23 N HN 0.658 nan 8.380 nan 0.000 0.493 24 K N 2.284 122.609 120.400 -0.125 0.000 2.173 24 K HA -0.211 4.109 4.320 -0.000 0.000 0.207 24 K C 1.587 178.133 176.600 -0.090 0.000 1.046 24 K CA 1.162 57.395 56.287 -0.091 0.000 0.929 24 K CB 0.079 32.517 32.500 -0.103 0.000 0.720 24 K HN 0.416 nan 8.250 nan 0.000 0.453 25 L N 0.679 121.825 121.223 -0.127 0.000 2.023 25 L HA -0.134 4.206 4.340 -0.000 0.000 0.205 25 L C 2.308 179.141 176.870 -0.061 0.000 1.073 25 L CA 2.127 56.908 54.840 -0.097 0.000 0.745 25 L CB -0.494 41.492 42.059 -0.121 0.000 0.900 25 L HN 0.275 nan 8.230 nan 0.000 0.435 26 T N -4.678 109.845 114.554 -0.052 0.000 3.022 26 T HA 0.323 4.673 4.350 -0.000 0.000 0.250 26 T C 1.468 176.165 174.700 -0.004 0.000 1.060 26 T CA 0.337 62.425 62.100 -0.021 0.000 1.013 26 T CB 0.181 69.044 68.868 -0.007 0.000 0.982 26 T HN 0.592 nan 8.240 nan 0.000 0.508 27 G N 1.492 110.289 108.800 -0.004 0.000 2.184 27 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.264 27 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.264 27 G C -0.132 174.784 174.900 0.026 0.000 0.975 27 G CA 0.351 45.455 45.100 0.007 0.000 0.642 27 G HN 0.837 nan 8.290 nan 0.000 0.536 28 E N 0.324 120.552 120.200 0.046 0.000 2.414 28 E HA 0.344 4.694 4.350 -0.000 0.000 0.263 28 E C 0.210 176.856 176.600 0.077 0.000 1.000 28 E CA -0.298 56.142 56.400 0.068 0.000 0.914 28 E CB 0.596 30.351 29.700 0.091 0.000 0.948 28 E HN 0.133 nan 8.360 nan 0.000 0.444 29 V N 6.082 126.021 119.914 0.042 0.000 2.407 29 V HA 0.268 4.388 4.120 -0.000 0.000 0.278 29 V C 0.307 176.426 176.094 0.041 0.000 1.037 29 V CA -0.274 62.008 62.300 -0.030 0.000 0.900 29 V CB 0.888 32.617 31.823 -0.158 0.000 0.983 29 V HN 0.550 nan 8.190 nan 0.000 0.459 30 V N 2.245 122.184 119.914 0.040 0.000 3.156 30 V HA 1.035 5.155 4.120 -0.000 0.000 0.310 30 V C -0.239 175.953 176.094 0.163 0.000 1.234 30 V CA -1.085 61.298 62.300 0.139 0.000 1.065 30 V CB 2.048 33.927 31.823 0.093 0.000 1.088 30 V HN 0.959 nan 8.190 nan 0.000 0.451 31 A N 1.548 124.524 122.820 0.260 0.000 2.287 31 A HA 0.837 5.157 4.320 -0.000 0.000 0.317 31 A C -1.047 176.679 177.584 0.237 0.000 1.220 31 A CA -0.451 51.754 52.037 0.281 0.000 0.835 31 A CB 0.933 20.110 19.000 0.296 0.000 1.180 31 A HN 1.280 nan 8.150 nan 0.000 0.500 32 L N 2.481 123.802 121.223 0.162 0.000 2.298 32 L HA 0.500 4.840 4.340 -0.000 0.000 0.284 32 L C 0.004 177.039 176.870 0.275 0.000 1.013 32 L CA -0.142 54.784 54.840 0.143 0.000 0.824 32 L CB 1.202 43.226 42.059 -0.057 0.000 1.221 32 L HN 0.667 nan 8.230 nan 0.000 0.418 33 K N 4.981 125.559 120.400 0.296 0.000 2.213 33 K HA 0.363 4.683 4.320 -0.000 0.000 0.270 33 K C -0.902 175.802 176.600 0.174 0.000 1.002 33 K CA -0.668 55.759 56.287 0.232 0.000 0.868 33 K CB 0.914 33.600 32.500 0.309 0.000 1.093 33 K HN 0.598 nan 8.250 nan 0.000 0.454 34 K N 6.269 126.726 120.400 0.096 0.000 2.307 34 K HA 0.258 4.578 4.320 -0.000 0.000 0.263 34 K C -0.601 175.865 176.600 -0.224 0.000 0.973 34 K CA -0.736 55.467 56.287 -0.142 0.000 0.846 34 K CB 0.752 33.263 32.500 0.019 0.000 1.100 34 K HN 0.497 nan 8.250 nan 0.000 0.438 35 I N 6.315 126.698 120.570 -0.311 0.000 2.342 35 I HA 0.150 4.320 4.170 -0.000 0.000 0.291 35 I C 1.074 176.949 176.117 -0.405 0.000 1.010 35 I CA -0.435 60.688 61.300 -0.294 0.000 1.308 35 I CB 0.815 38.700 38.000 -0.192 0.000 1.400 35 I HN 0.781 nan 8.210 nan 0.000 0.488 42 E N 0.429 120.637 120.200 0.014 0.000 2.066 42 E HA 0.314 4.664 4.350 -0.000 0.000 0.207 42 E C 1.950 178.582 176.600 0.054 0.000 0.937 42 E CA 0.456 56.875 56.400 0.032 0.000 0.906 42 E CB -0.385 29.333 29.700 0.030 0.000 0.986 42 E HN 0.769 nan 8.360 nan 0.000 0.490 43 G N -0.111 108.722 108.800 0.056 0.000 2.762 43 G HA2 0.182 4.142 3.960 -0.000 0.000 0.209 43 G HA3 0.182 4.142 3.960 -0.000 0.000 0.209 43 G C 0.042 174.991 174.900 0.082 0.000 1.134 43 G CA 0.002 45.155 45.100 0.088 0.000 0.781 43 G HN 0.121 nan 8.290 nan 0.000 0.528 44 V N 0.716 120.632 119.914 0.004 0.000 3.765 44 V HA -0.114 4.006 4.120 -0.000 0.000 0.447 44 V C -2.276 173.772 176.094 -0.077 0.000 0.680 44 V CA -0.929 61.308 62.300 -0.104 0.000 1.894 44 V CB -1.259 30.257 31.823 -0.513 0.000 2.321 44 V HN 0.317 nan 8.190 nan 0.000 0.492 45 P HA 0.024 nan 4.420 nan 0.000 0.247 45 P C 1.130 178.367 177.300 -0.105 0.000 1.141 45 P CA 1.227 64.291 63.100 -0.059 0.000 0.858 45 P CB 0.360 32.008 31.700 -0.086 0.000 0.804 46 S N 1.211 116.885 115.700 -0.044 0.000 2.469 46 S HA -0.186 4.284 4.470 -0.000 0.000 0.238 46 S C 1.891 176.451 174.600 -0.067 0.000 0.998 46 S CA 1.601 59.785 58.200 -0.026 0.000 0.957 46 S CB -0.948 62.267 63.200 0.024 0.000 0.764 46 S HN 0.453 nan 8.310 nan 0.000 0.514 47 T N 1.443 115.942 114.554 -0.092 0.000 2.777 47 T HA 0.082 4.432 4.350 -0.000 0.000 0.266 47 T C 1.934 176.534 174.700 -0.168 0.000 1.040 47 T CA 1.431 63.467 62.100 -0.107 0.000 1.141 47 T CB -0.811 67.998 68.868 -0.098 0.000 0.868 47 T HN 0.592 nan 8.240 nan 0.000 0.444 48 A N 1.352 124.010 122.820 -0.270 0.000 1.855 48 A HA 0.070 4.390 4.320 -0.000 0.000 0.215 48 A C 2.301 179.723 177.584 -0.271 0.000 1.191 48 A CA 1.563 53.354 52.037 -0.411 0.000 0.613 48 A CB -0.940 17.559 19.000 -0.836 0.000 0.829 48 A HN 0.620 nan 8.150 nan 0.000 0.442 49 I N -0.713 119.733 120.570 -0.207 0.000 2.229 49 I HA -0.353 3.817 4.170 -0.000 0.000 0.250 49 I C 2.753 178.822 176.117 -0.080 0.000 1.096 49 I CA 2.064 63.297 61.300 -0.112 0.000 1.358 49 I CB -0.347 37.623 38.000 -0.051 0.000 1.047 49 I HN 0.426 nan 8.210 nan 0.000 0.422 50 R N 0.953 121.404 120.500 -0.081 0.000 2.062 50 R HA -0.199 4.141 4.340 -0.000 0.000 0.229 50 R C 2.284 178.542 176.300 -0.069 0.000 1.128 50 R CA 1.711 57.776 56.100 -0.060 0.000 0.960 50 R CB -0.176 30.093 30.300 -0.051 0.000 0.855 50 R HN 0.389 nan 8.270 nan 0.000 0.432 51 E N 0.339 120.482 120.200 -0.095 0.000 2.077 51 E HA -0.176 4.174 4.350 -0.000 0.000 0.193 51 E C 1.897 178.447 176.600 -0.083 0.000 0.989 51 E CA 1.154 57.500 56.400 -0.091 0.000 0.800 51 E CB 0.075 29.705 29.700 -0.117 0.000 0.746 51 E HN 0.288 nan 8.360 nan 0.000 0.452 52 I N 1.111 121.620 120.570 -0.103 0.000 2.226 52 I HA -0.216 3.954 4.170 -0.000 0.000 0.245 52 I C 2.411 178.493 176.117 -0.058 0.000 1.100 52 I CA 1.046 62.300 61.300 -0.078 0.000 1.374 52 I CB -1.331 36.616 38.000 -0.088 0.000 1.057 52 I HN 0.091 nan 8.210 nan 0.000 0.413 53 S N 1.091 116.757 115.700 -0.056 0.000 2.383 53 S HA -0.112 4.358 4.470 -0.000 0.000 0.229 53 S C 2.119 176.695 174.600 -0.041 0.000 1.030 53 S CA 1.044 59.218 58.200 -0.044 0.000 1.002 53 S CB -0.349 62.831 63.200 -0.033 0.000 0.829 53 S HN 0.385 nan 8.310 nan 0.000 0.467 54 L N 1.070 122.267 121.223 -0.044 0.000 2.079 54 L HA -0.104 4.236 4.340 -0.000 0.000 0.210 54 L C 2.051 178.893 176.870 -0.046 0.000 1.081 54 L CA 1.003 55.818 54.840 -0.043 0.000 0.752 54 L CB -0.675 41.358 42.059 -0.044 0.000 0.896 54 L HN 0.312 nan 8.230 nan 0.000 0.433 55 L N -0.273 120.924 121.223 -0.043 0.000 2.353 55 L HA -0.198 4.142 4.340 -0.000 0.000 0.220 55 L C 2.392 179.245 176.870 -0.029 0.000 1.133 55 L CA 1.029 55.846 54.840 -0.038 0.000 0.798 55 L CB -0.559 41.496 42.059 -0.007 0.000 0.922 55 L HN 0.282 nan 8.230 nan 0.000 0.445 56 K N 0.650 121.030 120.400 -0.033 0.000 2.362 56 K HA -0.171 4.149 4.320 -0.000 0.000 0.200 56 K C 1.642 178.229 176.600 -0.021 0.000 1.046 56 K CA 1.252 57.521 56.287 -0.030 0.000 0.952 56 K CB -0.020 32.459 32.500 -0.036 0.000 0.753 56 K HN 0.551 nan 8.250 nan 0.000 0.466 57 E N 0.846 121.028 120.200 -0.029 0.000 2.489 57 E HA 0.002 4.352 4.350 -0.000 0.000 0.193 57 E C 0.024 176.611 176.600 -0.022 0.000 1.057 57 E CA -0.086 56.297 56.400 -0.028 0.000 0.866 57 E CB -0.022 29.656 29.700 -0.037 0.000 0.916 57 E HN 0.165 nan 8.360 nan 0.000 0.500 58 L N 2.630 123.844 121.223 -0.015 0.000 2.418 58 L HA 0.143 4.483 4.340 -0.000 0.000 0.274 58 L C -0.225 176.668 176.870 0.038 0.000 1.135 58 L CA -0.293 54.575 54.840 0.045 0.000 0.870 58 L CB 0.145 42.211 42.059 0.011 0.000 1.154 58 L HN 0.092 nan 8.230 nan 0.000 0.462 59 N N 3.502 122.216 118.700 0.023 0.000 2.573 59 N HA 0.293 5.033 4.740 -0.000 0.000 0.262 59 N C -1.217 174.095 175.510 -0.329 0.000 1.029 59 N CA -0.379 52.611 53.050 -0.100 0.000 0.882 59 N CB 0.585 39.030 38.487 -0.069 0.000 1.204 59 N HN 0.490 nan 8.380 nan 0.000 0.519 60 H N 3.103 121.915 119.070 -0.431 0.000 2.974 60 H HA 0.332 4.888 4.556 -0.000 0.000 0.366 60 H C -2.272 172.878 175.328 -0.298 0.000 1.155 60 H CA -1.441 54.256 56.048 -0.585 0.000 1.186 60 H CB 2.469 31.635 29.762 -0.993 0.000 1.799 60 H HN 0.323 nan 8.280 nan 0.000 0.541 61 P HA -0.061 nan 4.420 nan 0.000 0.220 61 P C -0.024 177.244 177.300 -0.053 0.000 1.144 61 P CA 1.365 64.309 63.100 -0.260 0.000 0.800 61 P CB 0.279 31.780 31.700 -0.332 0.000 0.772 62 N N -1.330 117.484 118.700 0.191 0.000 2.273 62 N HA 0.222 4.962 4.740 -0.000 0.000 0.231 62 N C -0.277 175.298 175.510 0.109 0.000 1.134 62 N CA -0.088 53.040 53.050 0.130 0.000 0.856 62 N CB 0.289 38.850 38.487 0.123 0.000 1.068 62 N HN 0.115 nan 8.380 nan 0.000 0.510 63 I N 0.959 121.596 120.570 0.111 0.000 2.447 63 I HA 0.252 4.422 4.170 -0.000 0.000 0.287 63 I C -0.209 175.975 176.117 0.111 0.000 1.023 63 I CA -1.109 60.277 61.300 0.143 0.000 1.083 63 I CB 2.113 40.172 38.000 0.099 0.000 1.245 63 I HN -0.227 nan 8.210 nan 0.000 0.434 64 V N 5.587 125.580 119.914 0.133 0.000 2.599 64 V HA -0.051 4.069 4.120 -0.000 0.000 0.300 64 V C 0.547 176.761 176.094 0.201 0.000 1.034 64 V CA 0.064 62.429 62.300 0.110 0.000 1.115 64 V CB 0.568 32.411 31.823 0.034 0.000 0.934 64 V HN 0.601 nan 8.190 nan 0.000 0.485 65 K N 4.966 125.467 120.400 0.168 0.000 2.379 65 K HA 0.235 4.555 4.320 -0.000 0.000 0.284 65 K C -0.826 175.920 176.600 0.244 0.000 1.044 65 K CA -0.147 56.236 56.287 0.160 0.000 0.974 65 K CB 0.582 33.138 32.500 0.093 0.000 0.962 65 K HN 0.487 nan 8.250 nan 0.000 0.474 66 L N 6.816 128.129 121.223 0.149 0.000 2.255 66 L HA 0.269 4.609 4.340 -0.000 0.000 0.289 66 L C -0.031 176.793 176.870 -0.078 0.000 1.046 66 L CA 0.269 55.070 54.840 -0.066 0.000 0.816 66 L CB 0.515 42.510 42.059 -0.106 0.000 1.197 66 L HN 0.889 nan 8.230 nan 0.000 0.427 67 L N 2.946 124.110 121.223 -0.098 0.000 2.168 67 L HA 0.276 4.616 4.340 -0.000 0.000 0.203 67 L C 0.132 176.972 176.870 -0.050 0.000 1.078 67 L CA 0.481 55.299 54.840 -0.036 0.000 0.780 67 L CB -0.078 41.989 42.059 0.014 0.000 0.939 67 L HN 0.593 nan 8.230 nan 0.000 0.451 68 D N -1.422 118.922 120.400 -0.094 0.000 2.655 68 D HA 0.389 5.029 4.640 -0.000 0.000 0.229 68 D C -1.356 174.896 176.300 -0.081 0.000 1.229 68 D CA -0.181 53.786 54.000 -0.054 0.000 0.807 68 D CB 3.768 44.572 40.800 0.008 0.000 1.514 68 D HN -0.384 nan 8.370 nan 0.000 0.444 69 V N 2.407 122.301 119.914 -0.033 0.000 2.419 69 V HA 0.381 4.501 4.120 -0.000 0.000 0.287 69 V C -0.620 175.506 176.094 0.054 0.000 1.017 69 V CA -0.543 61.749 62.300 -0.012 0.000 0.844 69 V CB 1.126 32.930 31.823 -0.033 0.000 1.011 69 V HN 0.319 nan 8.190 nan 0.000 0.429 70 I N 3.883 124.524 120.570 0.119 0.000 2.378 70 I HA 0.440 4.610 4.170 -0.000 0.000 0.291 70 I C -0.004 176.268 176.117 0.258 0.000 0.992 70 I CA -0.314 61.090 61.300 0.172 0.000 1.154 70 I CB 1.346 39.453 38.000 0.179 0.000 1.315 70 I HN 0.617 nan 8.210 nan 0.000 0.448 71 H N 4.778 123.906 119.070 0.096 0.000 2.488 71 H HA 0.687 5.243 4.556 -0.000 0.000 0.322 71 H C -0.972 174.416 175.328 0.100 0.000 1.078 71 H CA -0.295 55.805 56.048 0.087 0.000 1.260 71 H CB 1.042 30.831 29.762 0.046 0.000 1.425 71 H HN 0.648 nan 8.280 nan 0.000 0.471 72 T N 4.116 118.899 114.554 0.382 0.000 3.486 72 T HA 0.074 4.424 4.350 -0.000 0.000 0.375 72 T C -1.146 173.684 174.700 0.216 0.000 1.459 72 T CA -0.506 61.693 62.100 0.165 0.000 1.151 72 T CB 0.625 69.573 68.868 0.134 0.000 1.336 72 T HN 0.986 nan 8.240 nan 0.000 0.477 73 E N 3.432 123.705 120.200 0.122 0.000 2.287 73 E HA -0.187 4.162 4.350 -0.000 0.000 0.229 73 E C 0.108 176.788 176.600 0.134 0.000 1.194 73 E CA 0.553 57.023 56.400 0.118 0.000 0.704 73 E CB -1.329 28.447 29.700 0.126 0.000 1.216 73 E HN 0.780 nan 8.360 nan 0.000 0.381 74 N N -0.736 118.064 118.700 0.167 0.000 2.708 74 N HA -0.206 4.534 4.740 -0.000 0.000 0.251 74 N C -0.581 174.960 175.510 0.052 0.000 1.123 74 N CA 1.877 55.003 53.050 0.127 0.000 0.739 74 N CB -0.478 38.051 38.487 0.071 0.000 1.113 74 N HN 0.474 nan 8.380 nan 0.000 0.561 75 K N -0.038 120.407 120.400 0.076 0.000 2.502 75 K HA 0.519 4.839 4.320 -0.000 0.000 0.257 75 K C -1.008 175.527 176.600 -0.108 0.000 0.938 75 K CA -0.783 55.443 56.287 -0.103 0.000 0.819 75 K CB 2.300 34.686 32.500 -0.191 0.000 1.333 75 K HN -0.053 nan 8.250 nan 0.000 0.434 76 L N 2.809 123.877 121.223 -0.258 0.000 2.325 76 L HA 0.454 4.794 4.340 -0.000 0.000 0.281 76 L C -1.717 174.994 176.870 -0.265 0.000 1.004 76 L CA -0.316 54.436 54.840 -0.148 0.000 0.823 76 L CB 0.606 42.610 42.059 -0.092 0.000 1.236 76 L HN 0.473 nan 8.230 nan 0.000 0.415 77 Y N 5.161 125.487 120.300 0.043 0.000 2.360 77 Y HA 0.634 5.184 4.550 -0.000 0.000 0.337 77 Y C -0.400 175.494 175.900 -0.011 0.000 1.039 77 Y CA -0.627 57.494 58.100 0.035 0.000 1.109 77 Y CB 1.638 40.129 38.460 0.051 0.000 1.201 77 Y HN 0.372 nan 8.280 nan 0.000 0.458 78 L N 4.068 125.354 121.223 0.106 0.000 2.333 78 L HA 0.602 4.942 4.340 -0.000 0.000 0.280 78 L C -1.087 175.687 176.870 -0.161 0.000 1.004 78 L CA -1.101 53.663 54.840 -0.127 0.000 0.820 78 L CB 1.679 43.620 42.059 -0.197 0.000 1.247 78 L HN 0.322 nan 8.230 nan 0.000 0.416 79 V N 3.652 123.414 119.914 -0.253 0.000 2.347 79 V HA 0.447 4.567 4.120 -0.000 0.000 0.280 79 V C -0.388 175.579 176.094 -0.212 0.000 1.021 79 V CA -0.266 61.954 62.300 -0.133 0.000 0.847 79 V CB 1.146 32.950 31.823 -0.032 0.000 0.990 79 V HN 0.391 nan 8.190 nan 0.000 0.444 80 F N 2.167 122.150 119.950 0.056 0.000 2.556 80 F HA 0.511 5.038 4.527 -0.000 0.000 0.327 80 F C 0.747 176.602 175.800 0.091 0.000 1.059 80 F CA -1.028 57.015 58.000 0.071 0.000 0.953 80 F CB 1.348 40.391 39.000 0.072 0.000 1.227 80 F HN 0.613 nan 8.300 nan 0.000 0.478 81 E N 0.805 121.197 120.200 0.322 0.000 2.408 81 E HA 0.177 4.527 4.350 -0.000 0.000 0.259 81 E C -1.388 175.367 176.600 0.259 0.000 1.110 81 E CA -0.395 56.145 56.400 0.234 0.000 0.929 81 E CB 0.967 30.762 29.700 0.157 0.000 0.971 81 E HN 0.495 nan 8.360 nan 0.000 0.438 82 F N 2.302 122.312 119.950 0.100 0.000 2.420 82 F HA 0.446 4.973 4.527 -0.000 0.000 0.342 82 F C -1.391 174.460 175.800 0.085 0.000 1.113 82 F CA -0.940 57.111 58.000 0.086 0.000 1.059 82 F CB 0.861 39.917 39.000 0.093 0.000 1.128 82 F HN 0.389 nan 8.300 nan 0.000 0.475 83 L N 5.537 126.364 121.223 -0.660 0.000 2.313 83 L HA 0.387 4.727 4.340 -0.000 0.000 0.268 83 L C 1.129 177.537 176.870 -0.771 0.000 1.010 83 L CA -0.401 54.123 54.840 -0.527 0.000 0.814 83 L CB 1.702 43.523 42.059 -0.396 0.000 1.304 83 L HN 0.732 nan 8.230 nan 0.000 0.441 84 H N -0.204 118.602 119.070 -0.441 0.000 2.319 84 H HA -0.105 4.451 4.556 -0.000 0.000 0.299 84 H C 0.259 175.455 175.328 -0.220 0.000 1.092 84 H CA 1.177 57.072 56.048 -0.256 0.000 1.302 84 H CB 0.338 30.043 29.762 -0.095 0.000 1.373 84 H HN 0.471 nan 8.280 nan 0.000 0.497 85 Q N 0.837 120.579 119.800 -0.096 0.000 2.522 85 Q HA 0.142 4.482 4.340 -0.000 0.000 0.285 85 Q C -1.917 174.016 176.000 -0.112 0.000 0.982 85 Q CA -0.886 54.882 55.803 -0.058 0.000 0.805 85 Q CB 2.228 30.986 28.738 0.033 0.000 1.457 85 Q HN 0.260 nan 8.270 nan 0.000 0.394 86 D N 0.811 121.172 120.400 -0.065 0.000 2.268 86 D HA 0.187 4.827 4.640 -0.000 0.000 0.249 86 D C 0.595 176.887 176.300 -0.013 0.000 1.008 86 D CA -0.697 53.252 54.000 -0.084 0.000 0.939 86 D CB 0.956 41.704 40.800 -0.086 0.000 1.170 86 D HN 0.476 nan 8.370 nan 0.000 0.468 87 L N 0.756 121.955 121.223 -0.040 0.000 2.131 87 L HA -0.075 4.265 4.340 -0.000 0.000 0.210 87 L C 2.102 179.041 176.870 0.115 0.000 1.092 87 L CA 1.792 56.667 54.840 0.059 0.000 0.759 87 L CB -0.683 41.365 42.059 -0.019 0.000 0.903 87 L HN 0.668 nan 8.230 nan 0.000 0.435 88 K N -0.308 120.117 120.400 0.043 0.000 2.032 88 K HA -0.282 4.038 4.320 -0.000 0.000 0.209 88 K C 2.317 178.961 176.600 0.074 0.000 1.048 88 K CA 1.971 58.288 56.287 0.050 0.000 0.927 88 K CB -0.173 32.334 32.500 0.012 0.000 0.712 88 K HN 0.288 nan 8.250 nan 0.000 0.441 89 K N -0.353 120.094 120.400 0.078 0.000 2.057 89 K HA -0.176 4.144 4.320 -0.000 0.000 0.207 89 K C 2.035 178.719 176.600 0.140 0.000 1.049 89 K CA 1.392 57.734 56.287 0.091 0.000 0.931 89 K CB -0.267 32.285 32.500 0.086 0.000 0.714 89 K HN 0.140 nan 8.250 nan 0.000 0.440 90 F N 1.452 121.421 119.950 0.032 0.000 2.134 90 F HA -0.121 4.406 4.527 -0.000 0.000 0.299 90 F C 1.961 177.800 175.800 0.065 0.000 1.097 90 F CA 1.535 59.570 58.000 0.059 0.000 1.264 90 F CB -0.162 38.885 39.000 0.080 0.000 1.001 90 F HN 0.004 nan 8.300 nan 0.000 0.479 91 M N -0.216 119.390 119.600 0.010 0.000 2.117 91 M HA -0.215 4.265 4.480 -0.000 0.000 0.262 91 M C 1.749 177.991 176.300 -0.096 0.000 1.065 91 M CA 1.723 56.975 55.300 -0.080 0.000 1.114 91 M CB -0.581 32.045 32.600 0.045 0.000 1.361 91 M HN 0.036 nan 8.290 nan 0.000 0.408 92 D N 0.575 120.955 120.400 -0.033 0.000 2.117 92 D HA -0.086 4.554 4.640 -0.000 0.000 0.197 92 D C 1.916 178.180 176.300 -0.060 0.000 0.987 92 D CA 1.590 55.575 54.000 -0.024 0.000 0.829 92 D CB -0.169 40.638 40.800 0.011 0.000 0.961 92 D HN 0.329 nan 8.370 nan 0.000 0.460 93 A N 0.098 122.871 122.820 -0.079 0.000 2.067 93 A HA -0.047 4.273 4.320 -0.000 0.000 0.219 93 A C 2.045 179.528 177.584 -0.169 0.000 1.158 93 A CA 1.074 53.059 52.037 -0.088 0.000 0.661 93 A CB -0.006 18.976 19.000 -0.030 0.000 0.801 93 A HN 0.108 nan 8.150 nan 0.000 0.452 94 S N -0.694 114.837 115.700 -0.281 0.000 2.572 94 S HA 0.412 4.881 4.470 -0.000 0.000 0.228 94 S C 1.714 176.210 174.600 -0.174 0.000 0.963 94 S CA 0.285 58.306 58.200 -0.298 0.000 0.939 94 S CB 0.332 63.213 63.200 -0.533 0.000 0.804 94 S HN 0.702 nan 8.310 nan 0.000 0.480 95 A N 1.881 124.627 122.820 -0.123 0.000 1.940 95 A HA -0.019 4.301 4.320 -0.000 0.000 0.219 95 A C 1.898 179.441 177.584 -0.068 0.000 1.176 95 A CA 1.174 53.163 52.037 -0.080 0.000 0.631 95 A CB -0.543 18.424 19.000 -0.054 0.000 0.814 95 A HN 0.502 nan 8.150 nan 0.000 0.446 96 L N -1.605 119.578 121.223 -0.066 0.000 2.109 96 L HA -0.073 4.267 4.340 -0.000 0.000 0.207 96 L C 2.732 179.569 176.870 -0.055 0.000 1.086 96 L CA 1.778 56.585 54.840 -0.054 0.000 0.760 96 L CB -0.471 41.559 42.059 -0.048 0.000 0.910 96 L HN 0.521 nan 8.230 nan 0.000 0.437 97 T N -1.429 113.085 114.554 -0.066 0.000 3.023 97 T HA 0.301 4.651 4.350 -0.000 0.000 0.249 97 T C 0.759 175.425 174.700 -0.057 0.000 1.050 97 T CA 0.653 62.718 62.100 -0.058 0.000 1.088 97 T CB 0.102 68.934 68.868 -0.061 0.000 0.946 97 T HN 0.515 nan 8.240 nan 0.000 0.480 98 G N 1.118 109.872 108.800 -0.076 0.000 2.721 98 G HA2 -0.117 3.843 3.960 -0.000 0.000 0.686 98 G HA3 -0.117 3.843 3.960 -0.000 0.000 0.686 98 G C -0.618 174.244 174.900 -0.062 0.000 1.236 98 G CA -0.491 44.569 45.100 -0.065 0.000 0.786 98 G HN 0.562 nan 8.290 nan 0.000 0.616 99 I N 2.717 123.262 120.570 -0.043 0.000 2.496 99 I HA 0.220 4.390 4.170 -0.000 0.000 0.285 99 I C -1.502 174.638 176.117 0.039 0.000 1.080 99 I CA -1.671 59.637 61.300 0.013 0.000 1.404 99 I CB 1.105 39.169 38.000 0.106 0.000 1.403 99 I HN 0.258 nan 8.210 nan 0.000 0.539 100 P HA -0.046 nan 4.420 nan 0.000 0.265 100 P C 0.533 177.852 177.300 0.032 0.000 1.193 100 P CA -0.301 62.815 63.100 0.027 0.000 0.765 100 P CB 0.622 32.335 31.700 0.021 0.000 0.823 101 L N 7.296 128.543 121.223 0.039 0.000 2.043 101 L HA -0.124 4.216 4.340 -0.000 0.000 0.212 101 L C -0.938 175.951 176.870 0.031 0.000 1.075 101 L CA 2.545 57.427 54.840 0.069 0.000 0.752 101 L CB -2.033 40.070 42.059 0.073 0.000 0.891 101 L HN 0.403 nan 8.230 nan 0.000 0.432 102 P HA -0.162 nan 4.420 nan 0.000 0.218 102 P C 1.857 179.107 177.300 -0.083 0.000 1.148 102 P CA 1.116 64.181 63.100 -0.059 0.000 0.822 102 P CB -0.041 31.625 31.700 -0.057 0.000 0.784 103 L N -1.182 119.981 121.223 -0.101 0.000 2.131 103 L HA 0.009 4.349 4.340 -0.000 0.000 0.206 103 L C 2.094 178.794 176.870 -0.283 0.000 1.087 103 L CA 1.420 56.105 54.840 -0.260 0.000 0.767 103 L CB -0.958 40.944 42.059 -0.261 0.000 0.917 103 L HN -0.142 nan 8.230 nan 0.000 0.441 104 I N -0.339 120.207 120.570 -0.039 0.000 2.226 104 I HA -0.329 3.841 4.170 -0.000 0.000 0.245 104 I C 2.526 178.755 176.117 0.187 0.000 1.100 104 I CA 1.560 62.944 61.300 0.141 0.000 1.374 104 I CB -0.357 37.802 38.000 0.265 0.000 1.057 104 I HN 0.300 nan 8.210 nan 0.000 0.413 105 K N 0.517 121.002 120.400 0.141 0.000 2.057 105 K HA -0.221 4.099 4.320 -0.000 0.000 0.207 105 K C 2.363 179.070 176.600 0.179 0.000 1.049 105 K CA 1.821 58.197 56.287 0.149 0.000 0.931 105 K CB -0.119 32.295 32.500 -0.144 0.000 0.714 105 K HN 0.133 nan 8.250 nan 0.000 0.440 106 S N -0.498 115.231 115.700 0.049 0.000 2.356 106 S HA -0.163 4.307 4.470 -0.000 0.000 0.223 106 S C 1.908 176.647 174.600 0.231 0.000 1.032 106 S CA 1.060 59.303 58.200 0.073 0.000 1.005 106 S CB -0.370 62.806 63.200 -0.041 0.000 0.867 106 S HN 0.391 nan 8.310 nan 0.000 0.449 107 Y N 1.148 121.499 120.300 0.085 0.000 2.145 107 Y HA 0.017 4.567 4.550 -0.000 0.000 0.286 107 Y C 2.324 178.253 175.900 0.048 0.000 1.145 107 Y CA 0.583 58.715 58.100 0.052 0.000 1.148 107 Y CB -1.347 37.147 38.460 0.057 0.000 0.981 107 Y HN 0.304 nan 8.280 nan 0.000 0.507 108 L N -0.713 120.663 121.223 0.255 0.000 2.042 108 L HA -0.225 4.115 4.340 -0.000 0.000 0.210 108 L C 2.260 179.178 176.870 0.080 0.000 1.076 108 L CA 1.565 56.483 54.840 0.130 0.000 0.749 108 L CB -1.168 40.907 42.059 0.026 0.000 0.893 108 L HN 0.133 nan 8.230 nan 0.000 0.432 109 F N 0.187 120.051 119.950 -0.144 0.000 2.102 109 F HA -0.251 4.276 4.527 -0.000 0.000 0.298 109 F C 2.490 178.130 175.800 -0.267 0.000 1.105 109 F CA 2.028 59.697 58.000 -0.552 0.000 1.239 109 F CB -0.344 38.294 39.000 -0.604 0.000 0.991 109 F HN 0.229 nan 8.300 nan 0.000 0.474 110 Q N 0.040 119.827 119.800 -0.021 0.000 2.119 110 Q HA -0.173 4.167 4.340 -0.000 0.000 0.201 110 Q C 2.354 178.284 176.000 -0.118 0.000 0.972 110 Q CA 1.790 57.547 55.803 -0.076 0.000 0.847 110 Q CB -0.307 28.461 28.738 0.050 0.000 0.903 110 Q HN 0.469 nan 8.270 nan 0.000 0.433 111 L N 0.244 121.418 121.223 -0.082 0.000 2.046 111 L HA -0.200 4.140 4.340 -0.000 0.000 0.208 111 L C 2.256 179.051 176.870 -0.126 0.000 1.077 111 L CA 0.907 55.694 54.840 -0.088 0.000 0.747 111 L CB -0.368 41.654 42.059 -0.061 0.000 0.896 111 L HN 0.254 nan 8.230 nan 0.000 0.432 112 L N -0.816 120.306 121.223 -0.169 0.000 2.083 112 L HA -0.223 4.117 4.340 -0.000 0.000 0.209 112 L C 2.684 179.406 176.870 -0.246 0.000 1.083 112 L CA 1.176 55.905 54.840 -0.185 0.000 0.752 112 L CB -0.445 41.496 42.059 -0.197 0.000 0.899 112 L HN 0.337 nan 8.230 nan 0.000 0.433 113 Q N -0.379 119.218 119.800 -0.338 0.000 2.084 113 Q HA -0.142 4.198 4.340 -0.000 0.000 0.202 113 Q C 2.336 178.170 176.000 -0.276 0.000 0.978 113 Q CA 1.443 57.076 55.803 -0.283 0.000 0.844 113 Q CB -0.392 28.193 28.738 -0.255 0.000 0.898 113 Q HN 0.606 nan 8.270 nan 0.000 0.426 114 G N 0.771 109.413 108.800 -0.262 0.000 2.402 114 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.216 114 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.216 114 G C 1.396 176.186 174.900 -0.185 0.000 1.162 114 G CA 0.362 45.266 45.100 -0.326 0.000 0.777 114 G HN 0.152 nan 8.290 nan 0.000 0.539 115 L N 0.512 121.631 121.223 -0.174 0.000 2.072 115 L HA 0.000 4.340 4.340 -0.000 0.000 0.205 115 L C 3.416 180.054 176.870 -0.386 0.000 1.079 115 L CA 0.873 55.517 54.840 -0.327 0.000 0.752 115 L CB -0.411 41.444 42.059 -0.340 0.000 0.906 115 L HN 0.315 nan 8.230 nan 0.000 0.436 116 A N 0.014 122.718 122.820 -0.195 0.000 1.908 116 A HA -0.293 4.027 4.320 -0.000 0.000 0.218 116 A C 2.146 179.701 177.584 -0.049 0.000 1.181 116 A CA 1.732 53.720 52.037 -0.081 0.000 0.627 116 A CB -0.813 18.152 19.000 -0.058 0.000 0.818 116 A HN 0.407 nan 8.150 nan 0.000 0.445 117 F N 1.170 120.986 119.950 -0.224 0.000 2.051 117 F HA -0.264 4.263 4.527 -0.000 0.000 0.296 117 F C 2.752 178.550 175.800 -0.003 0.000 1.122 117 F CA 1.924 59.840 58.000 -0.141 0.000 1.201 117 F CB -0.771 37.992 39.000 -0.395 0.000 0.978 117 F HN 0.486 nan 8.300 nan 0.000 0.472 118 C N -0.195 119.050 119.300 -0.092 0.000 2.425 118 C HA -0.146 4.314 4.460 -0.000 0.000 0.277 118 C C 2.644 177.635 174.990 0.001 0.000 1.280 118 C CA 1.412 60.343 59.018 -0.144 0.000 1.744 118 C CB -2.078 25.555 27.740 -0.178 0.000 1.989 118 C HN 0.589 nan 8.230 nan 0.000 0.491 119 H N 1.902 120.955 119.070 -0.029 0.000 2.423 119 H HA -0.091 4.465 4.556 -0.000 0.000 0.297 119 H C 2.578 177.844 175.328 -0.104 0.000 1.075 119 H CA 1.458 57.496 56.048 -0.017 0.000 1.342 119 H CB 0.071 29.847 29.762 0.024 0.000 1.395 119 H HN 0.764 nan 8.280 nan 0.000 0.530 120 S N 0.051 115.694 115.700 -0.095 0.000 2.522 120 S HA -0.104 4.366 4.470 -0.000 0.000 0.227 120 S C 1.250 175.573 174.600 -0.463 0.000 0.986 120 S CA 0.634 58.671 58.200 -0.271 0.000 0.929 120 S CB -0.031 62.956 63.200 -0.355 0.000 0.769 120 S HN 0.528 nan 8.310 nan 0.000 0.529 121 H N 1.436 120.365 119.070 -0.236 0.000 2.520 121 H HA 0.368 4.924 4.556 -0.000 0.000 0.284 121 H C 0.070 175.324 175.328 -0.124 0.000 1.037 121 H CA 0.060 55.967 56.048 -0.236 0.000 1.168 121 H CB 0.134 29.654 29.762 -0.403 0.000 1.497 121 H HN 0.421 nan 8.280 nan 0.000 0.547 122 R N -0.432 120.065 120.500 -0.004 0.000 3.651 122 R HA -0.112 4.228 4.340 -0.000 0.000 0.292 122 R C -0.736 175.598 176.300 0.058 0.000 1.161 122 R CA 0.304 56.418 56.100 0.023 0.000 0.787 122 R CB -2.324 27.979 30.300 0.005 0.000 1.249 122 R HN -0.062 nan 8.270 nan 0.000 0.476 123 V N 1.965 121.935 119.914 0.092 0.000 2.417 123 V HA 0.461 4.581 4.120 -0.000 0.000 0.291 123 V C 0.586 176.858 176.094 0.296 0.000 1.024 123 V CA -0.635 61.736 62.300 0.119 0.000 0.861 123 V CB 1.801 33.617 31.823 -0.012 0.000 0.985 123 V HN 0.142 nan 8.190 nan 0.000 0.436 124 L N 3.535 124.946 121.223 0.314 0.000 2.334 124 L HA 0.537 4.877 4.340 -0.000 0.000 0.272 124 L C 1.202 178.368 176.870 0.493 0.000 1.020 124 L CA -0.759 54.331 54.840 0.416 0.000 0.812 124 L CB 1.583 43.812 42.059 0.283 0.000 1.264 124 L HN 0.705 nan 8.230 nan 0.000 0.439 125 H N 2.395 121.697 119.070 0.386 0.000 2.320 125 H HA 0.080 4.636 4.556 -0.000 0.000 0.309 125 H C 0.802 176.213 175.328 0.138 0.000 1.057 125 H CA 1.545 57.649 56.048 0.093 0.000 1.374 125 H CB 0.625 30.195 29.762 -0.320 0.000 1.421 125 H HN 0.636 nan 8.280 nan 0.000 0.532 126 R N -0.912 119.835 120.500 0.412 0.000 3.590 126 R HA -0.161 4.179 4.340 -0.000 0.000 0.463 126 R C -0.461 176.068 176.300 0.383 0.000 0.657 126 R CA 1.291 57.626 56.100 0.392 0.000 1.512 126 R CB -1.487 29.039 30.300 0.378 0.000 2.154 126 R HN 0.333 nan 8.270 nan 0.000 0.409 127 D N 0.536 121.239 120.400 0.505 0.000 2.992 127 D HA 0.274 4.914 4.640 -0.000 0.000 0.372 127 D C -0.581 175.805 176.300 0.143 0.000 1.374 127 D CA -0.183 54.011 54.000 0.324 0.000 0.769 127 D CB 0.306 41.285 40.800 0.298 0.000 1.215 127 D HN 0.096 nan 8.370 nan 0.000 0.473 128 L N 1.635 122.804 121.223 -0.091 0.000 2.453 128 L HA 0.286 4.626 4.340 -0.000 0.000 0.272 128 L C 0.622 177.318 176.870 -0.291 0.000 1.182 128 L CA 0.462 55.054 54.840 -0.412 0.000 0.858 128 L CB 0.482 42.315 42.059 -0.376 0.000 1.120 128 L HN 0.134 nan 8.230 nan 0.000 0.474 129 K N 1.768 121.919 120.400 -0.416 0.000 2.607 129 K HA 0.388 4.707 4.320 -0.000 0.000 0.287 129 K C -2.780 173.538 176.600 -0.470 0.000 0.996 129 K CA -1.604 54.283 56.287 -0.667 0.000 0.876 129 K CB 1.192 33.445 32.500 -0.411 0.000 1.496 129 K HN -0.061 nan 8.250 nan 0.000 0.415 130 P HA -0.211 nan 4.420 nan 0.000 0.216 130 P C 0.671 177.874 177.300 -0.160 0.000 1.150 130 P CA 1.565 64.535 63.100 -0.217 0.000 0.843 130 P CB 0.134 31.775 31.700 -0.100 0.000 0.787 131 Q N -1.431 118.278 119.800 -0.152 0.000 2.364 131 Q HA -0.052 4.288 4.340 -0.000 0.000 0.207 131 Q C 1.165 177.080 176.000 -0.141 0.000 0.970 131 Q CA 0.885 56.617 55.803 -0.119 0.000 0.888 131 Q CB -0.609 28.071 28.738 -0.097 0.000 0.951 131 Q HN 0.290 nan 8.270 nan 0.000 0.469 132 N N -0.347 118.248 118.700 -0.176 0.000 2.270 132 N HA 0.132 4.872 4.740 -0.000 0.000 0.198 132 N C -0.712 174.671 175.510 -0.212 0.000 1.117 132 N CA 0.261 53.203 53.050 -0.180 0.000 0.845 132 N CB 0.645 39.026 38.487 -0.176 0.000 0.980 132 N HN 0.211 nan 8.380 nan 0.000 0.486 133 L N 1.289 122.386 121.223 -0.211 0.000 2.313 133 L HA 0.509 4.849 4.340 -0.000 0.000 0.283 133 L C -0.488 176.249 176.870 -0.222 0.000 1.013 133 L CA -0.547 54.161 54.840 -0.220 0.000 0.816 133 L CB 1.753 43.678 42.059 -0.222 0.000 1.236 133 L HN -0.258 nan 8.230 nan 0.000 0.419 134 L N 5.015 126.094 121.223 -0.240 0.000 2.346 134 L HA 0.676 5.016 4.340 -0.000 0.000 0.274 134 L C -0.252 176.428 176.870 -0.318 0.000 1.007 134 L CA -0.745 53.940 54.840 -0.259 0.000 0.818 134 L CB 2.143 44.051 42.059 -0.252 0.000 1.284 134 L HN 0.561 nan 8.230 nan 0.000 0.424 135 I N -0.336 120.037 120.570 -0.329 0.000 2.846 135 I HA 0.684 4.854 4.170 -0.000 0.000 0.307 135 I C -1.102 174.809 176.117 -0.342 0.000 1.053 135 I CA -0.676 60.402 61.300 -0.370 0.000 1.050 135 I CB 2.252 39.981 38.000 -0.452 0.000 1.239 135 I HN 0.656 nan 8.210 nan 0.000 0.439 136 N N 0.280 118.774 118.700 -0.343 0.000 2.701 136 N HA 0.355 5.095 4.740 -0.000 0.000 0.290 136 N C 0.471 175.918 175.510 -0.104 0.000 1.338 136 N CA -0.191 52.576 53.050 -0.472 0.000 0.799 136 N CB 0.745 38.759 38.487 -0.789 0.000 1.491 136 N HN 0.727 nan 8.380 nan 0.000 0.540 137 T N -3.338 111.298 114.554 0.137 0.000 3.007 137 T HA -0.033 4.317 4.350 -0.000 0.000 0.270 137 T C 0.582 175.301 174.700 0.032 0.000 1.107 137 T CA 0.867 63.035 62.100 0.114 0.000 1.118 137 T CB -0.335 68.633 68.868 0.165 0.000 0.889 137 T HN 0.563 nan 8.240 nan 0.000 0.506 138 E N 1.113 121.316 120.200 0.005 0.000 2.502 138 E HA 0.222 4.572 4.350 -0.000 0.000 0.194 138 E C 1.641 178.238 176.600 -0.004 0.000 1.062 138 E CA 0.492 56.890 56.400 -0.004 0.000 0.867 138 E CB -0.063 29.629 29.700 -0.014 0.000 0.888 138 E HN 0.742 nan 8.360 nan 0.000 0.510 139 G N 1.214 110.018 108.800 0.006 0.000 2.176 139 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.232 139 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.232 139 G C 0.417 175.388 174.900 0.117 0.000 0.986 139 G CA 0.078 45.215 45.100 0.062 0.000 0.643 139 G HN 0.509 nan 8.290 nan 0.000 0.522 140 A N -0.400 122.427 122.820 0.013 0.000 2.286 140 A HA 0.876 5.196 4.320 -0.000 0.000 0.286 140 A C -0.015 177.489 177.584 -0.135 0.000 1.097 140 A CA 0.092 52.113 52.037 -0.027 0.000 0.821 140 A CB 1.064 20.017 19.000 -0.079 0.000 1.076 140 A HN 1.432 nan 8.150 nan 0.000 0.490 141 I N -0.089 120.375 120.570 -0.176 0.000 2.686 141 I HA 0.536 4.706 4.170 -0.000 0.000 0.295 141 I C -1.090 174.907 176.117 -0.200 0.000 1.114 141 I CA -0.599 60.494 61.300 -0.344 0.000 1.038 141 I CB 1.903 39.511 38.000 -0.654 0.000 1.238 141 I HN 0.726 nan 8.210 nan 0.000 0.420 142 K N 6.937 127.221 120.400 -0.194 0.000 2.477 142 K HA 0.552 4.872 4.320 -0.000 0.000 0.255 142 K C -1.586 174.961 176.600 -0.089 0.000 0.952 142 K CA -0.862 55.366 56.287 -0.099 0.000 0.826 142 K CB 2.603 35.059 32.500 -0.073 0.000 1.331 142 K HN 0.451 nan 8.250 nan 0.000 0.437 143 L N 1.841 123.067 121.223 0.006 0.000 2.331 143 L HA 0.499 4.839 4.340 -0.000 0.000 0.278 143 L C -0.038 176.887 176.870 0.091 0.000 1.106 143 L CA -0.332 54.512 54.840 0.006 0.000 0.824 143 L CB 1.180 43.320 42.059 0.134 0.000 1.142 143 L HN 0.715 nan 8.230 nan 0.000 0.443 144 A N 1.743 124.539 122.820 -0.039 0.000 2.401 144 A HA 0.588 4.908 4.320 -0.000 0.000 0.310 144 A C -0.425 177.156 177.584 -0.006 0.000 1.075 144 A CA -0.394 51.614 52.037 -0.048 0.000 0.746 144 A CB 1.208 20.075 19.000 -0.222 0.000 1.277 144 A HN 0.751 nan 8.150 nan 0.000 0.425 145 D N 0.015 120.396 120.400 -0.030 0.000 2.848 145 D HA -0.140 4.500 4.640 -0.000 0.000 0.245 145 D C -0.360 175.815 176.300 -0.208 0.000 1.122 145 D CA 0.879 54.882 54.000 0.004 0.000 0.769 145 D CB -1.394 39.379 40.800 -0.046 0.000 1.025 145 D HN 0.391 nan 8.370 nan 0.000 0.423 146 F N 0.271 120.120 119.950 -0.169 0.000 2.110 146 F HA 0.442 4.969 4.527 -0.000 0.000 0.267 146 F C 2.467 178.135 175.800 -0.220 0.000 1.141 146 F CA 0.872 58.665 58.000 -0.345 0.000 1.197 146 F CB -0.487 38.472 39.000 -0.068 0.000 1.674 146 F HN 0.273 nan 8.300 nan 0.000 0.512 147 G N -0.015 108.860 108.800 0.124 0.000 2.684 147 G HA2 -0.354 3.606 3.960 -0.000 0.000 0.342 147 G HA3 -0.354 3.606 3.960 -0.000 0.000 0.342 147 G C 0.886 175.746 174.900 -0.065 0.000 1.316 147 G CA 0.885 46.005 45.100 0.033 0.000 0.994 147 G HN 0.893 nan 8.290 nan 0.000 0.541 148 L N -2.637 118.507 121.223 -0.131 0.000 3.447 148 L HA -0.388 3.951 4.340 -0.000 0.000 0.337 148 L C 2.764 179.517 176.870 -0.195 0.000 4.145 148 L CA 2.704 57.370 54.840 -0.291 0.000 1.229 148 L CB -2.119 39.501 42.059 -0.732 0.000 3.307 148 L HN 1.705 nan 8.230 nan 0.000 0.751 149 A N -0.557 122.243 122.820 -0.033 0.000 2.015 149 A HA -0.138 4.182 4.320 -0.000 0.000 0.219 149 A C 2.028 179.636 177.584 0.041 0.000 1.163 149 A CA 2.015 54.156 52.037 0.172 0.000 0.646 149 A CB -0.386 18.758 19.000 0.240 0.000 0.806 149 A HN 0.523 nan 8.150 nan 0.000 0.448 150 R N 0.010 120.504 120.500 -0.011 0.000 2.093 150 R HA 0.149 4.489 4.340 -0.000 0.000 0.224 150 R C 1.986 178.231 176.300 -0.092 0.000 1.101 150 R CA 1.769 57.845 56.100 -0.040 0.000 0.979 150 R CB -0.664 29.627 30.300 -0.015 0.000 0.877 150 R HN 0.330 nan 8.270 nan 0.000 0.441 151 A N -1.093 121.625 122.820 -0.170 0.000 1.935 151 A HA 0.215 4.535 4.320 -0.000 0.000 0.214 151 A C 0.709 178.039 177.584 -0.423 0.000 1.178 151 A CA 0.538 52.369 52.037 -0.343 0.000 0.640 151 A CB -0.196 18.496 19.000 -0.513 0.000 0.825 151 A HN 0.215 nan 8.150 nan 0.000 0.447 152 F N -0.955 118.936 119.950 -0.098 0.000 2.808 152 F HA 0.626 5.153 4.527 -0.000 0.000 0.257 152 F C 1.180 176.990 175.800 0.015 0.000 1.286 152 F CA -0.162 57.817 58.000 -0.035 0.000 0.999 152 F CB -0.256 38.735 39.000 -0.014 0.000 2.005 152 F HN 0.157 nan 8.300 nan 0.000 0.528 153 G N -0.740 108.272 108.800 0.354 0.000 2.642 153 G HA2 0.467 4.427 3.960 -0.000 0.000 0.293 153 G HA3 0.467 4.427 3.960 -0.000 0.000 0.293 153 G C -1.785 173.240 174.900 0.209 0.000 1.341 153 G CA -0.833 44.380 45.100 0.189 0.000 0.916 153 G HN 0.470 nan 8.290 nan 0.000 0.474 154 V N 2.029 122.011 119.914 0.114 0.000 2.506 154 V HA 0.174 4.294 4.120 -0.000 0.000 0.296 154 V C -1.218 174.897 176.094 0.035 0.000 1.004 154 V CA -0.704 61.657 62.300 0.103 0.000 1.150 154 V CB 0.052 31.938 31.823 0.105 0.000 0.911 154 V HN 0.617 nan 8.190 nan 0.000 0.476 155 P HA 0.215 nan 4.420 nan 0.000 0.281 155 P C 0.322 177.574 177.300 -0.079 0.000 1.274 155 P CA 0.524 63.532 63.100 -0.153 0.000 0.794 155 P CB 0.616 32.093 31.700 -0.372 0.000 1.201 156 V N -2.324 117.538 119.914 -0.086 0.000 3.160 156 V HA 0.126 4.246 4.120 -0.000 0.000 0.235 156 V C -0.911 175.156 176.094 -0.046 0.000 1.736 156 V CA 0.207 62.478 62.300 -0.048 0.000 0.970 156 V CB 0.058 31.868 31.823 -0.022 0.000 0.981 156 V HN 0.424 nan 8.190 nan 0.000 0.415 157 R N 2.560 123.028 120.500 -0.053 0.000 2.680 157 R HA 0.453 4.793 4.340 -0.000 0.000 0.278 157 R C -0.083 176.168 176.300 -0.081 0.000 1.582 157 R CA 0.366 56.440 56.100 -0.043 0.000 1.177 157 R CB 1.413 31.712 30.300 -0.003 0.000 1.232 157 R HN 0.594 nan 8.270 nan 0.000 0.528 158 T N -1.155 113.337 114.554 -0.103 0.000 2.795 158 T HA -0.077 4.272 4.350 -0.000 0.000 0.314 158 T C 1.394 176.013 174.700 -0.135 0.000 1.069 158 T CA -0.243 61.812 62.100 -0.075 0.000 1.071 158 T CB 0.341 69.163 68.868 -0.077 0.000 0.988 158 T HN 0.587 nan 8.240 nan 0.000 0.543 159 Y N 0.063 120.225 120.300 -0.231 0.000 2.569 159 Y HA 0.081 4.631 4.550 -0.000 0.000 0.293 159 Y C 1.829 177.528 175.900 -0.335 0.000 1.144 159 Y CA 0.729 58.676 58.100 -0.255 0.000 1.321 159 Y CB -1.578 36.788 38.460 -0.157 0.000 0.982 159 Y HN 0.762 nan 8.280 nan 0.000 0.558 160 T N -4.159 109.862 114.554 -0.888 0.000 3.085 160 T HA 0.171 4.521 4.350 -0.000 0.000 0.264 160 T C 0.050 174.533 174.700 -0.361 0.000 1.019 160 T CA 0.189 61.851 62.100 -0.730 0.000 0.910 160 T CB -0.630 67.763 68.868 -0.792 0.000 1.059 160 T HN 0.564 nan 8.240 nan 0.000 0.542 161 H N 0.580 119.541 119.070 -0.182 0.000 2.899 161 H HA -0.122 4.434 4.556 -0.000 0.000 0.282 161 H C 0.324 175.582 175.328 -0.116 0.000 1.198 161 H CA 1.060 57.038 56.048 -0.116 0.000 1.140 161 H CB -1.786 27.919 29.762 -0.095 0.000 1.317 161 H HN 0.723 nan 8.280 nan 0.000 0.375 162 E N 1.013 121.161 120.200 -0.088 0.000 2.437 162 E HA 0.165 4.515 4.350 -0.000 0.000 0.263 162 E C 0.081 176.641 176.600 -0.067 0.000 1.030 162 E CA -0.078 56.270 56.400 -0.087 0.000 0.934 162 E CB 0.771 30.403 29.700 -0.113 0.000 0.943 162 E HN 0.125 nan 8.360 nan 0.000 0.444 163 V N 6.254 126.125 119.914 -0.072 0.000 2.326 163 V HA -0.006 4.114 4.120 -0.000 0.000 0.249 163 V C 0.447 176.478 176.094 -0.106 0.000 1.114 163 V CA -0.162 62.093 62.300 -0.076 0.000 1.028 163 V CB 0.379 32.156 31.823 -0.076 0.000 1.170 163 V HN 0.486 nan 8.190 nan 0.000 0.494 164 V N 5.919 125.777 119.914 -0.093 0.000 2.584 164 V HA 0.037 4.157 4.120 -0.000 0.000 0.303 164 V C 0.855 176.877 176.094 -0.121 0.000 1.035 164 V CA 0.551 62.791 62.300 -0.100 0.000 1.172 164 V CB 0.981 32.755 31.823 -0.081 0.000 0.896 164 V HN 0.931 nan 8.190 nan 0.000 0.486 165 T N 9.122 123.588 114.554 -0.147 0.000 2.814 165 T HA 0.331 4.681 4.350 -0.000 0.000 0.297 165 T C 0.966 175.624 174.700 -0.070 0.000 0.956 165 T CA -0.157 61.803 62.100 -0.233 0.000 1.123 165 T CB 0.854 69.571 68.868 -0.251 0.000 0.902 165 T HN 0.642 nan 8.240 nan 0.000 0.528 166 L N 1.260 122.460 121.223 -0.039 0.000 2.664 166 L HA 0.188 4.528 4.340 -0.000 0.000 0.233 166 L C 1.624 178.616 176.870 0.202 0.000 1.113 166 L CA -0.214 54.684 54.840 0.097 0.000 0.896 166 L CB -0.045 42.070 42.059 0.094 0.000 1.163 166 L HN 0.659 nan 8.230 nan 0.000 0.497 167 W N 0.193 121.406 121.300 -0.146 0.000 2.341 167 W HA -0.183 4.477 4.660 -0.000 0.000 0.283 167 W C 1.542 177.777 176.519 -0.472 0.000 1.215 167 W CA 0.635 57.742 57.345 -0.397 0.000 1.211 167 W CB -1.015 27.999 29.460 -0.744 0.000 1.131 167 W HN 0.234 nan 8.180 nan 0.000 0.552 168 Y N -0.914 119.619 120.300 0.388 0.000 2.507 168 Y HA 0.294 4.844 4.550 -0.000 0.000 0.254 168 Y C 1.022 177.148 175.900 0.377 0.000 1.171 168 Y CA -0.820 57.497 58.100 0.362 0.000 1.238 168 Y CB -0.472 38.128 38.460 0.233 0.000 1.148 168 Y HN -0.367 nan 8.280 nan 0.000 0.525 169 R N 1.603 122.300 120.500 0.328 0.000 2.347 169 R HA 0.462 4.802 4.340 -0.000 0.000 0.304 169 R C 0.362 176.609 176.300 -0.089 0.000 1.072 169 R CA -0.239 55.948 56.100 0.144 0.000 0.980 169 R CB 0.678 31.013 30.300 0.059 0.000 0.986 169 R HN 0.218 nan 8.270 nan 0.000 0.448 170 A N 5.822 128.458 122.820 -0.306 0.000 2.483 170 A HA 0.134 4.454 4.320 -0.000 0.000 0.238 170 A C -1.226 175.945 177.584 -0.687 0.000 1.070 170 A CA -1.131 50.345 52.037 -0.936 0.000 0.770 170 A CB 0.075 18.790 19.000 -0.474 0.000 1.008 170 A HN 0.572 nan 8.150 nan 0.000 0.497 171 P HA -0.214 nan 4.420 nan 0.000 0.218 171 P C 0.980 178.329 177.300 0.082 0.000 1.149 171 P CA 1.584 64.540 63.100 -0.239 0.000 0.817 171 P CB 0.069 31.750 31.700 -0.032 0.000 0.785 172 E N 0.565 120.828 120.200 0.105 0.000 2.204 172 E HA -0.127 4.223 4.350 -0.000 0.000 0.194 172 E C 2.130 178.753 176.600 0.038 0.000 0.989 172 E CA 0.890 57.441 56.400 0.250 0.000 0.824 172 E CB -1.132 28.734 29.700 0.278 0.000 0.756 172 E HN 0.317 nan 8.360 nan 0.000 0.477 173 I N 1.014 121.502 120.570 -0.136 0.000 2.286 173 I HA -0.200 3.970 4.170 -0.000 0.000 0.245 173 I C 2.635 178.736 176.117 -0.027 0.000 1.104 173 I CA 0.690 61.891 61.300 -0.166 0.000 1.397 173 I CB -0.213 37.596 38.000 -0.320 0.000 1.072 173 I HN 0.004 nan 8.210 nan 0.000 0.417 174 L N 0.267 121.462 121.223 -0.046 0.000 2.131 174 L HA -0.181 4.159 4.340 -0.000 0.000 0.210 174 L C 2.013 178.901 176.870 0.030 0.000 1.092 174 L CA 1.169 55.993 54.840 -0.028 0.000 0.759 174 L CB -0.357 41.650 42.059 -0.088 0.000 0.903 174 L HN 0.289 nan 8.230 nan 0.000 0.435 175 L N -0.174 121.099 121.223 0.083 0.000 2.627 175 L HA 0.161 4.501 4.340 -0.000 0.000 0.232 175 L C 1.260 178.191 176.870 0.100 0.000 1.150 175 L CA 0.317 55.237 54.840 0.133 0.000 0.917 175 L CB -0.424 41.730 42.059 0.159 0.000 1.104 175 L HN 0.455 nan 8.230 nan 0.000 0.445 176 G N 0.317 109.166 108.800 0.082 0.000 2.147 176 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.244 176 G HA3 -0.316 3.644 3.960 -0.000 0.000 0.244 176 G C 0.466 175.416 174.900 0.083 0.000 1.005 176 G CA 0.074 45.222 45.100 0.079 0.000 0.713 176 G HN 0.519 nan 8.290 nan 0.000 0.515 177 C N -0.798 118.567 119.300 0.108 0.000 2.657 177 C HA 0.621 5.081 4.460 -0.000 0.000 0.420 177 C C 1.721 176.793 174.990 0.137 0.000 1.323 177 C CA 0.058 59.152 59.018 0.127 0.000 1.894 177 C CB 0.738 28.581 27.740 0.172 0.000 2.681 177 C HN 0.479 nan 8.230 nan 0.000 0.613 178 K N 1.012 121.410 120.400 -0.004 0.000 2.323 178 K HA 0.090 4.410 4.320 -0.000 0.000 0.197 178 K C -0.545 175.856 176.600 -0.331 0.000 1.043 178 K CA 0.881 57.026 56.287 -0.236 0.000 0.997 178 K CB 0.085 32.287 32.500 -0.496 0.000 0.807 178 K HN 0.778 nan 8.250 nan 0.000 0.497 179 Y N 0.529 120.941 120.300 0.187 0.000 2.464 179 Y HA 0.227 4.777 4.550 -0.000 0.000 0.326 179 Y C -0.358 175.724 175.900 0.303 0.000 0.969 179 Y CA -1.503 56.703 58.100 0.176 0.000 1.270 179 Y CB 0.282 38.809 38.460 0.112 0.000 1.103 179 Y HN -0.117 nan 8.280 nan 0.000 0.491 180 Y N 1.329 121.736 120.300 0.179 0.000 2.379 180 Y HA 0.349 4.899 4.550 -0.000 0.000 0.337 180 Y C 0.946 176.920 175.900 0.123 0.000 1.238 180 Y CA -1.109 57.074 58.100 0.138 0.000 1.405 180 Y CB 1.034 39.565 38.460 0.118 0.000 1.310 180 Y HN 0.542 nan 8.280 nan 0.000 0.569 181 S N -1.359 114.480 115.700 0.232 0.000 2.709 181 S HA 0.316 4.785 4.470 -0.000 0.000 0.302 181 S C 0.816 175.446 174.600 0.050 0.000 1.127 181 S CA -0.123 58.148 58.200 0.119 0.000 0.905 181 S CB 1.170 64.421 63.200 0.085 0.000 1.151 181 S HN 0.662 nan 8.310 nan 0.000 0.510 182 T N -1.327 113.173 114.554 -0.090 0.000 2.897 182 T HA -0.042 4.308 4.350 -0.000 0.000 0.271 182 T C 1.930 176.563 174.700 -0.112 0.000 1.084 182 T CA 1.213 63.103 62.100 -0.350 0.000 1.123 182 T CB -1.003 67.384 68.868 -0.801 0.000 0.865 182 T HN 1.012 nan 8.240 nan 0.000 0.496 183 A N 1.892 124.714 122.820 0.003 0.000 2.024 183 A HA 0.050 4.370 4.320 -0.000 0.000 0.220 183 A C 2.684 180.354 177.584 0.144 0.000 1.164 183 A CA 1.616 53.706 52.037 0.089 0.000 0.643 183 A CB -1.099 17.947 19.000 0.076 0.000 0.806 183 A HN 0.824 nan 8.150 nan 0.000 0.451 184 V N -2.082 117.897 119.914 0.108 0.000 2.490 184 V HA -0.205 3.915 4.120 -0.000 0.000 0.250 184 V C 1.623 177.856 176.094 0.233 0.000 1.061 184 V CA 2.385 64.757 62.300 0.120 0.000 1.064 184 V CB -0.760 31.063 31.823 -0.000 0.000 0.670 184 V HN 0.401 nan 8.190 nan 0.000 0.461 185 D N 0.577 121.131 120.400 0.256 0.000 2.149 185 D HA -0.015 4.625 4.640 -0.000 0.000 0.201 185 D C 2.220 178.672 176.300 0.253 0.000 0.972 185 D CA 1.266 55.434 54.000 0.281 0.000 0.835 185 D CB -0.058 40.985 40.800 0.406 0.000 0.966 185 D HN 0.418 nan 8.370 nan 0.000 0.476 186 I N 0.512 121.244 120.570 0.271 0.000 2.226 186 I HA -0.213 3.957 4.170 -0.000 0.000 0.245 186 I C 2.372 178.618 176.117 0.215 0.000 1.100 186 I CA 0.723 62.152 61.300 0.216 0.000 1.374 186 I CB -1.014 37.107 38.000 0.201 0.000 1.057 186 I HN 0.269 nan 8.210 nan 0.000 0.413 187 W N 2.213 123.572 121.300 0.098 0.000 2.335 187 W HA -0.231 4.429 4.660 -0.000 0.000 0.311 187 W C 2.569 179.176 176.519 0.148 0.000 1.213 187 W CA 1.939 59.346 57.345 0.102 0.000 1.274 187 W CB -0.394 29.113 29.460 0.079 0.000 1.148 187 W HN 0.098 nan 8.180 nan 0.000 0.498 188 S N 1.268 117.221 115.700 0.421 0.000 2.370 188 S HA -0.240 4.230 4.470 -0.000 0.000 0.226 188 S C 1.710 176.417 174.600 0.179 0.000 1.033 188 S CA 1.598 60.007 58.200 0.349 0.000 1.011 188 S CB -0.918 62.441 63.200 0.264 0.000 0.852 188 S HN 0.239 nan 8.310 nan 0.000 0.457 189 L N 2.143 123.434 121.223 0.112 0.000 2.083 189 L HA 0.052 4.392 4.340 -0.000 0.000 0.209 189 L C 2.262 179.189 176.870 0.096 0.000 1.083 189 L CA 1.859 56.741 54.840 0.069 0.000 0.752 189 L CB -1.407 40.682 42.059 0.051 0.000 0.899 189 L HN 0.306 nan 8.230 nan 0.000 0.433 190 G N -1.280 107.547 108.800 0.045 0.000 2.446 190 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.217 190 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.217 190 G C 1.631 176.509 174.900 -0.037 0.000 1.168 190 G CA 1.045 46.151 45.100 0.009 0.000 0.771 190 G HN 0.525 nan 8.290 nan 0.000 0.551 191 C N 0.346 119.595 119.300 -0.084 0.000 2.413 191 C HA 0.025 4.485 4.460 -0.000 0.000 0.276 191 C C 2.845 177.910 174.990 0.126 0.000 1.248 191 C CA 0.509 59.512 59.018 -0.024 0.000 1.742 191 C CB -0.973 26.871 27.740 0.173 0.000 2.017 191 C HN 0.475 nan 8.230 nan 0.000 0.481 192 I N 0.021 120.715 120.570 0.206 0.000 2.315 192 I HA -0.175 3.995 4.170 -0.000 0.000 0.248 192 I C 2.427 178.661 176.117 0.195 0.000 1.117 192 I CA 1.374 62.781 61.300 0.179 0.000 1.404 192 I CB -0.548 37.483 38.000 0.052 0.000 1.071 192 I HN 0.260 nan 8.210 nan 0.000 0.419 193 F N 2.331 122.287 119.950 0.010 0.000 2.095 193 F HA -0.219 4.308 4.527 -0.000 0.000 0.298 193 F C 2.444 178.220 175.800 -0.040 0.000 1.104 193 F CA 1.325 59.330 58.000 0.008 0.000 1.232 193 F CB -0.820 38.171 39.000 -0.015 0.000 0.987 193 F HN 0.016 nan 8.300 nan 0.000 0.475 194 A N -0.094 122.599 122.820 -0.210 0.000 1.902 194 A HA -0.237 4.083 4.320 -0.000 0.000 0.217 194 A C 2.302 179.748 177.584 -0.231 0.000 1.181 194 A CA 1.766 53.568 52.037 -0.391 0.000 0.623 194 A CB -1.042 17.706 19.000 -0.420 0.000 0.818 194 A HN 0.575 nan 8.150 nan 0.000 0.443 195 E N -0.663 119.480 120.200 -0.094 0.000 2.072 195 E HA -0.157 4.193 4.350 -0.000 0.000 0.191 195 E C 2.055 178.657 176.600 0.004 0.000 0.985 195 E CA 1.206 57.586 56.400 -0.033 0.000 0.801 195 E CB -0.184 29.568 29.700 0.088 0.000 0.750 195 E HN 0.663 nan 8.360 nan 0.000 0.452 196 M N -0.050 119.592 119.600 0.070 0.000 2.159 196 M HA -0.155 4.325 4.480 -0.000 0.000 0.263 196 M C 2.243 178.570 176.300 0.045 0.000 1.063 196 M CA 0.936 56.299 55.300 0.107 0.000 1.110 196 M CB 0.029 32.765 32.600 0.226 0.000 1.374 196 M HN 0.085 nan 8.290 nan 0.000 0.411 197 V N 0.096 119.996 119.914 -0.023 0.000 2.323 197 V HA -0.200 3.920 4.120 -0.000 0.000 0.244 197 V C 2.566 178.600 176.094 -0.100 0.000 1.041 197 V CA 2.318 64.572 62.300 -0.077 0.000 1.025 197 V CB -0.970 30.720 31.823 -0.221 0.000 0.656 197 V HN 0.620 nan 8.190 nan 0.000 0.451 198 T N -3.091 111.380 114.554 -0.138 0.000 3.051 198 T HA 0.036 4.386 4.350 -0.000 0.000 0.255 198 T C 1.133 175.770 174.700 -0.105 0.000 1.085 198 T CA 0.388 62.404 62.100 -0.139 0.000 1.109 198 T CB -0.042 68.710 68.868 -0.193 0.000 0.921 198 T HN 0.405 nan 8.240 nan 0.000 0.488 199 R N 0.217 120.669 120.500 -0.080 0.000 3.774 199 R HA -0.090 4.250 4.340 -0.000 0.000 0.320 199 R C -0.517 175.745 176.300 -0.064 0.000 1.175 199 R CA 0.608 56.674 56.100 -0.057 0.000 0.849 199 R CB -1.890 28.376 30.300 -0.057 0.000 1.365 199 R HN 0.493 nan 8.270 nan 0.000 0.502 200 R N -0.515 119.929 120.500 -0.094 0.000 2.626 200 R HA 0.639 4.979 4.340 -0.000 0.000 0.274 200 R C -0.612 175.589 176.300 -0.164 0.000 1.031 200 R CA -0.414 55.612 56.100 -0.124 0.000 0.898 200 R CB 1.840 32.043 30.300 -0.162 0.000 1.222 200 R HN 0.141 nan 8.270 nan 0.000 0.455 201 A N 2.118 124.818 122.820 -0.199 0.000 2.498 201 A HA 0.047 4.367 4.320 -0.000 0.000 0.239 201 A C 1.001 178.336 177.584 -0.415 0.000 1.068 201 A CA -0.199 51.674 52.037 -0.273 0.000 0.766 201 A CB 0.262 18.939 19.000 -0.539 0.000 1.003 201 A HN 0.732 nan 8.150 nan 0.000 0.497 202 L N 1.485 122.433 121.223 -0.460 0.000 2.044 202 L HA 0.190 4.530 4.340 -0.000 0.000 0.205 202 L C 0.042 176.419 176.870 -0.821 0.000 1.075 202 L CA 1.830 56.233 54.840 -0.729 0.000 0.747 202 L CB -0.275 41.213 42.059 -0.953 0.000 0.903 202 L HN 0.578 nan 8.230 nan 0.000 0.435 203 F N 1.289 121.028 119.950 -0.351 0.000 2.660 203 F HA 0.405 4.932 4.527 -0.000 0.000 0.352 203 F C -2.132 173.316 175.800 -0.587 0.000 1.257 203 F CA -2.803 54.996 58.000 -0.335 0.000 1.200 203 F CB 0.385 39.299 39.000 -0.143 0.000 1.473 203 F HN 0.020 nan 8.300 nan 0.000 0.561 204 P HA 0.154 nan 4.420 nan 0.000 0.225 204 P C 0.565 177.514 177.300 -0.586 0.000 1.813 204 P CA 0.199 62.425 63.100 -1.457 0.000 1.013 204 P CB 0.374 31.225 31.700 -1.415 0.000 1.961 205 G N 2.045 110.724 108.800 -0.201 0.000 2.491 205 G HA2 0.121 4.081 3.960 -0.000 0.000 0.242 205 G HA3 0.121 4.081 3.960 -0.000 0.000 0.242 205 G C 0.424 175.453 174.900 0.215 0.000 1.266 205 G CA -0.386 44.730 45.100 0.026 0.000 0.844 205 G HN 0.288 nan 8.290 nan 0.000 0.571 206 D N -1.736 118.731 120.400 0.112 0.000 2.398 206 D HA 0.163 4.803 4.640 -0.000 0.000 0.210 206 D C 0.942 177.272 176.300 0.050 0.000 1.094 206 D CA 0.347 54.420 54.000 0.122 0.000 0.839 206 D CB 0.491 41.343 40.800 0.087 0.000 0.963 206 D HN 0.480 nan 8.370 nan 0.000 0.506 207 S N -1.426 114.281 115.700 0.011 0.000 2.625 207 S HA 0.347 4.817 4.470 -0.000 0.000 0.271 207 S C 0.392 174.950 174.600 -0.069 0.000 1.161 207 S CA -0.871 57.311 58.200 -0.031 0.000 0.820 207 S CB 1.760 64.928 63.200 -0.054 0.000 1.137 207 S HN -0.122 nan 8.310 nan 0.000 0.470 208 E N -0.141 120.006 120.200 -0.088 0.000 2.072 208 E HA -0.079 4.271 4.350 -0.000 0.000 0.191 208 E C 1.536 177.994 176.600 -0.236 0.000 0.985 208 E CA 1.217 57.544 56.400 -0.122 0.000 0.801 208 E CB -0.237 29.408 29.700 -0.092 0.000 0.750 208 E HN 0.569 nan 8.360 nan 0.000 0.452 209 I N 1.468 121.859 120.570 -0.298 0.000 2.439 209 I HA -0.201 3.969 4.170 -0.000 0.000 0.251 209 I C 1.811 177.551 176.117 -0.628 0.000 1.139 209 I CA 1.351 62.304 61.300 -0.577 0.000 1.438 209 I CB -0.029 37.629 38.000 -0.569 0.000 1.085 209 I HN -0.021 nan 8.210 nan 0.000 0.427 210 D N -0.682 119.523 120.400 -0.324 0.000 2.144 210 D HA -0.254 4.386 4.640 -0.000 0.000 0.200 210 D C 2.131 178.314 176.300 -0.195 0.000 0.978 210 D CA 1.045 54.927 54.000 -0.197 0.000 0.833 210 D CB -0.009 40.738 40.800 -0.089 0.000 0.961 210 D HN 0.290 nan 8.370 nan 0.000 0.470 211 Q N -0.158 119.530 119.800 -0.187 0.000 2.020 211 Q HA -0.098 4.242 4.340 -0.000 0.000 0.202 211 Q C 2.040 177.869 176.000 -0.285 0.000 0.982 211 Q CA 1.195 56.904 55.803 -0.156 0.000 0.838 211 Q CB -0.720 27.967 28.738 -0.085 0.000 0.899 211 Q HN 0.385 nan 8.270 nan 0.000 0.423 212 L N -0.490 120.486 121.223 -0.410 0.000 2.012 212 L HA -0.124 4.216 4.340 -0.000 0.000 0.210 212 L C 1.952 178.366 176.870 -0.761 0.000 1.073 212 L CA 1.762 56.215 54.840 -0.645 0.000 0.748 212 L CB -0.728 40.863 42.059 -0.781 0.000 0.891 212 L HN 0.262 nan 8.230 nan 0.000 0.431 213 F N -0.090 119.442 119.950 -0.698 0.000 2.293 213 F HA -0.067 4.460 4.527 -0.000 0.000 0.300 213 F C 2.629 178.095 175.800 -0.558 0.000 1.086 213 F CA 0.846 58.497 58.000 -0.582 0.000 1.375 213 F CB -1.000 37.839 39.000 -0.268 0.000 1.045 213 F HN 0.133 nan 8.300 nan 0.000 0.516 214 R N 0.093 120.452 120.500 -0.235 0.000 2.092 214 R HA -0.110 4.230 4.340 -0.000 0.000 0.231 214 R C 2.266 178.417 176.300 -0.249 0.000 1.119 214 R CA 1.263 57.241 56.100 -0.204 0.000 0.970 214 R CB -0.413 29.832 30.300 -0.091 0.000 0.864 214 R HN 0.248 nan 8.270 nan 0.000 0.440 215 I N 0.011 120.301 120.570 -0.467 0.000 2.179 215 I HA -0.276 3.894 4.170 -0.000 0.000 0.242 215 I C 1.771 177.919 176.117 0.051 0.000 1.088 215 I CA 1.129 62.050 61.300 -0.631 0.000 1.357 215 I CB -0.282 37.451 38.000 -0.444 0.000 1.051 215 I HN 0.054 nan 8.210 nan 0.000 0.409 216 F N 1.377 121.306 119.950 -0.035 0.000 2.161 216 F HA -0.158 4.369 4.527 -0.000 0.000 0.300 216 F C 2.655 178.429 175.800 -0.043 0.000 1.089 216 F CA 1.249 59.315 58.000 0.110 0.000 1.282 216 F CB -1.234 37.888 39.000 0.203 0.000 1.010 216 F HN 0.036 nan 8.300 nan 0.000 0.485 217 R N -0.885 119.466 120.500 -0.248 0.000 2.148 217 R HA -0.082 4.258 4.340 -0.000 0.000 0.227 217 R C 2.011 178.248 176.300 -0.106 0.000 1.103 217 R CA 1.666 57.460 56.100 -0.510 0.000 0.983 217 R CB -0.506 29.315 30.300 -0.799 0.000 0.874 217 R HN 0.199 nan 8.270 nan 0.000 0.451 218 T N 0.457 115.036 114.554 0.041 0.000 2.953 218 T HA 0.125 4.475 4.350 -0.000 0.000 0.247 218 T C 1.498 176.313 174.700 0.192 0.000 1.029 218 T CA 0.602 62.780 62.100 0.130 0.000 1.144 218 T CB 0.215 69.254 68.868 0.286 0.000 0.870 218 T HN 0.079 nan 8.240 nan 0.000 0.446 219 L N 0.710 122.089 121.223 0.260 0.000 2.607 219 L HA 0.396 4.736 4.340 -0.000 0.000 0.228 219 L C 1.057 178.152 176.870 0.375 0.000 1.123 219 L CA -0.317 54.698 54.840 0.291 0.000 0.890 219 L CB -0.391 41.780 42.059 0.186 0.000 1.103 219 L HN 0.403 nan 8.230 nan 0.000 0.468 220 G N 0.189 109.197 108.800 0.347 0.000 2.719 220 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.686 220 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.686 220 G C -0.275 174.772 174.900 0.245 0.000 1.201 220 G CA -0.886 44.399 45.100 0.308 0.000 0.768 220 G HN -0.061 nan 8.290 nan 0.000 0.629 221 T N 5.099 119.707 114.554 0.090 0.000 2.853 221 T HA 0.472 4.822 4.350 -0.000 0.000 0.298 221 T C -1.088 173.390 174.700 -0.370 0.000 0.978 221 T CA 0.261 62.148 62.100 -0.356 0.000 1.152 221 T CB 1.089 69.855 68.868 -0.171 0.000 0.914 221 T HN 0.662 nan 8.240 nan 0.000 0.539 222 P HA 0.297 nan 4.420 nan 0.000 0.272 222 P C -0.960 176.215 177.300 -0.209 0.000 1.230 222 P CA -0.363 62.458 63.100 -0.466 0.000 0.788 222 P CB 0.807 32.063 31.700 -0.741 0.000 0.949 223 D N -0.873 119.468 120.400 -0.098 0.000 2.744 223 D HA 0.161 4.801 4.640 -0.000 0.000 0.304 223 D C 0.741 177.003 176.300 -0.064 0.000 1.179 223 D CA -0.591 53.357 54.000 -0.086 0.000 1.024 223 D CB 0.097 40.872 40.800 -0.042 0.000 1.453 223 D HN 0.122 nan 8.370 nan 0.000 0.529 224 E N -0.438 119.710 120.200 -0.088 0.000 2.265 224 E HA -0.042 4.308 4.350 -0.000 0.000 0.196 224 E C 1.945 178.547 176.600 0.003 0.000 0.996 224 E CA 0.520 56.881 56.400 -0.064 0.000 0.832 224 E CB -0.060 29.590 29.700 -0.084 0.000 0.756 224 E HN 0.349 nan 8.360 nan 0.000 0.491 225 V N 1.141 121.063 119.914 0.012 0.000 2.270 225 V HA -0.203 3.917 4.120 -0.000 0.000 0.245 225 V C 2.591 178.722 176.094 0.061 0.000 1.043 225 V CA 1.867 64.185 62.300 0.031 0.000 1.014 225 V CB -0.612 31.227 31.823 0.027 0.000 0.645 225 V HN 0.242 nan 8.190 nan 0.000 0.447 226 V N -4.677 115.293 119.914 0.092 0.000 3.052 226 V HA 0.068 4.188 4.120 -0.000 0.000 0.254 226 V C 0.755 176.974 176.094 0.208 0.000 1.100 226 V CA 0.444 62.822 62.300 0.131 0.000 1.112 226 V CB 0.001 31.930 31.823 0.176 0.000 0.738 226 V HN 0.589 nan 8.190 nan 0.000 0.469 227 W N 2.442 123.729 121.300 -0.022 0.000 2.330 227 W HA 0.618 5.278 4.660 -0.000 0.000 0.286 227 W C -3.368 173.120 176.519 -0.053 0.000 1.019 227 W CA -3.399 53.934 57.345 -0.021 0.000 1.485 227 W CB 0.873 30.309 29.460 -0.039 0.000 1.457 227 W HN 0.091 nan 8.180 nan 0.000 0.359 228 P HA 0.231 nan 4.420 nan 0.000 0.263 228 P C 0.871 178.175 177.300 0.007 0.000 1.195 228 P CA 2.357 65.506 63.100 0.081 0.000 0.762 228 P CB 0.809 32.561 31.700 0.086 0.000 0.799 229 G N 1.936 110.655 108.800 -0.136 0.000 2.217 229 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.246 229 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.246 229 G C 1.032 175.665 174.900 -0.444 0.000 0.990 229 G CA 0.157 45.130 45.100 -0.211 0.000 0.627 229 G HN 0.504 nan 8.290 nan 0.000 0.522 230 V N 1.961 121.453 119.914 -0.704 0.000 2.392 230 V HA -0.111 4.009 4.120 -0.000 0.000 0.249 230 V C 3.023 178.583 176.094 -0.891 0.000 1.059 230 V CA 3.888 65.572 62.300 -1.027 0.000 1.051 230 V CB -0.529 30.623 31.823 -1.119 0.000 0.658 230 V HN 1.136 nan 8.190 nan 0.000 0.455 231 T N -2.044 111.982 114.554 -0.880 0.000 3.113 231 T HA -0.060 4.290 4.350 -0.000 0.000 0.263 231 T C 1.413 175.785 174.700 -0.547 0.000 1.143 231 T CA 1.172 62.566 62.100 -1.178 0.000 1.090 231 T CB -0.392 68.032 68.868 -0.741 0.000 0.922 231 T HN 0.716 nan 8.240 nan 0.000 0.521 232 S N 0.051 115.537 115.700 -0.357 0.000 2.568 232 S HA 0.417 4.887 4.470 -0.000 0.000 0.232 232 S C 0.630 175.162 174.600 -0.112 0.000 0.975 232 S CA -0.848 57.251 58.200 -0.167 0.000 0.949 232 S CB -0.363 62.760 63.200 -0.128 0.000 0.829 232 S HN 0.249 nan 8.310 nan 0.000 0.479 233 M N 2.179 121.693 119.600 -0.144 0.000 2.243 233 M HA 0.265 4.745 4.480 -0.000 0.000 0.341 233 M C -1.581 174.736 176.300 0.027 0.000 1.130 233 M CA -1.878 53.384 55.300 -0.063 0.000 1.162 233 M CB -0.171 32.369 32.600 -0.099 0.000 1.497 233 M HN -0.049 nan 8.290 nan 0.000 0.456 234 P HA -0.185 nan 4.420 nan 0.000 0.217 234 P C 0.209 177.540 177.300 0.051 0.000 1.158 234 P CA 1.580 64.701 63.100 0.036 0.000 0.887 234 P CB 0.205 31.923 31.700 0.031 0.000 0.792 235 D N -3.509 116.943 120.400 0.087 0.000 2.402 235 D HA 0.044 4.684 4.640 -0.000 0.000 0.216 235 D C 0.125 176.514 176.300 0.147 0.000 1.128 235 D CA -0.276 53.785 54.000 0.101 0.000 0.833 235 D CB -0.498 40.370 40.800 0.113 0.000 0.971 235 D HN 0.222 nan 8.370 nan 0.000 0.503 236 Y N 2.280 122.585 120.300 0.009 0.000 2.425 236 Y HA 0.160 4.710 4.550 -0.000 0.000 0.331 236 Y C -0.054 175.591 175.900 -0.425 0.000 1.157 236 Y CA -0.008 58.038 58.100 -0.090 0.000 1.372 236 Y CB 0.504 38.910 38.460 -0.091 0.000 1.253 236 Y HN -0.368 nan 8.280 nan 0.000 0.536 237 K N 7.413 126.664 120.400 -1.914 0.000 2.397 237 K HA 0.286 4.606 4.320 -0.000 0.000 0.253 237 K C -2.400 173.336 176.600 -1.441 0.000 0.932 237 K CA -2.102 53.402 56.287 -1.305 0.000 0.795 237 K CB 1.615 33.539 32.500 -0.959 0.000 1.159 237 K HN 0.372 nan 8.250 nan 0.000 0.424 238 P HA -0.114 nan 4.420 nan 0.000 0.228 238 P C 0.757 177.902 177.300 -0.257 0.000 1.151 238 P CA 1.015 63.943 63.100 -0.287 0.000 0.770 238 P CB 0.298 31.944 31.700 -0.090 0.000 0.786 239 S N -2.549 112.967 115.700 -0.306 0.000 2.593 239 S HA 0.058 4.528 4.470 -0.000 0.000 0.217 239 S C 0.523 175.112 174.600 -0.018 0.000 0.966 239 S CA -0.257 57.859 58.200 -0.140 0.000 0.914 239 S CB -0.966 62.177 63.200 -0.095 0.000 0.776 239 S HN -0.137 nan 8.310 nan 0.000 0.523 240 F N 3.589 123.469 119.950 -0.116 0.000 2.572 240 F HA 0.390 4.917 4.527 -0.000 0.000 0.370 240 F C -2.008 173.651 175.800 -0.235 0.000 1.103 240 F CA -2.790 55.181 58.000 -0.049 0.000 1.286 240 F CB -0.716 38.343 39.000 0.100 0.000 1.105 240 F HN 0.031 nan 8.300 nan 0.000 0.583 241 P HA 0.064 nan 4.420 nan 0.000 0.269 241 P C -0.971 175.975 177.300 -0.590 0.000 1.215 241 P CA -0.158 62.522 63.100 -0.700 0.000 0.780 241 P CB 0.439 31.242 31.700 -1.495 0.000 0.898 242 K N 2.222 122.322 120.400 -0.500 0.000 2.354 242 K HA 0.239 4.559 4.320 -0.000 0.000 0.257 242 K C -0.678 175.775 176.600 -0.246 0.000 1.062 242 K CA -0.287 55.846 56.287 -0.256 0.000 0.971 242 K CB 0.718 33.133 32.500 -0.143 0.000 1.305 242 K HN 0.478 nan 8.250 nan 0.000 0.449 243 W N 1.551 122.837 121.300 -0.023 0.000 2.417 243 W HA 0.390 5.050 4.660 -0.000 0.000 0.317 243 W C 0.360 176.897 176.519 0.029 0.000 1.121 243 W CA -1.018 56.333 57.345 0.009 0.000 1.208 243 W CB 1.371 30.855 29.460 0.039 0.000 1.253 243 W HN 0.484 nan 8.180 nan 0.000 0.533 244 A N 3.616 126.590 122.820 0.257 0.000 2.322 244 A HA 0.405 4.725 4.320 -0.000 0.000 0.269 244 A C 0.305 178.006 177.584 0.195 0.000 1.094 244 A CA -0.594 51.548 52.037 0.175 0.000 0.807 244 A CB 0.391 19.465 19.000 0.122 0.000 1.047 244 A HN 0.696 nan 8.150 nan 0.000 0.487 245 R N 1.179 121.783 120.500 0.174 0.000 2.570 245 R HA 0.081 4.421 4.340 -0.000 0.000 0.277 245 R C -0.330 176.057 176.300 0.145 0.000 1.039 245 R CA -0.098 56.110 56.100 0.181 0.000 1.065 245 R CB 0.313 30.723 30.300 0.183 0.000 0.964 245 R HN 0.749 nan 8.270 nan 0.000 0.428 246 Q N 1.922 121.802 119.800 0.134 0.000 2.306 246 Q HA 0.021 4.361 4.340 -0.000 0.000 0.241 246 Q C -0.570 175.491 176.000 0.103 0.000 0.948 246 Q CA -0.079 55.779 55.803 0.091 0.000 0.886 246 Q CB 0.849 29.615 28.738 0.047 0.000 1.227 246 Q HN 0.615 nan 8.270 nan 0.000 0.457 247 D N 0.890 121.334 120.400 0.072 0.000 2.458 247 D HA -0.098 4.542 4.640 -0.000 0.000 0.243 247 D C 0.376 176.736 176.300 0.099 0.000 1.146 247 D CA 0.188 54.240 54.000 0.086 0.000 0.877 247 D CB 0.384 41.213 40.800 0.048 0.000 1.176 247 D HN 0.437 nan 8.370 nan 0.000 0.461 248 F N 2.377 122.312 119.950 -0.025 0.000 2.502 248 F HA -0.153 4.374 4.527 -0.000 0.000 0.298 248 F C 2.473 178.226 175.800 -0.078 0.000 1.111 248 F CA 1.098 59.065 58.000 -0.055 0.000 1.445 248 F CB 0.102 39.065 39.000 -0.060 0.000 1.081 248 F HN 0.401 nan 8.300 nan 0.000 0.558 249 S N -0.811 114.922 115.700 0.056 0.000 2.507 249 S HA -0.186 4.284 4.470 -0.000 0.000 0.235 249 S C 1.928 176.461 174.600 -0.110 0.000 0.988 249 S CA 0.830 59.019 58.200 -0.019 0.000 0.944 249 S CB -0.509 62.696 63.200 0.008 0.000 0.762 249 S HN 0.539 nan 8.310 nan 0.000 0.526 250 K N 0.962 121.276 120.400 -0.143 0.000 2.314 250 K HA 0.153 4.473 4.320 -0.000 0.000 0.198 250 K C 1.595 178.038 176.600 -0.261 0.000 1.045 250 K CA 0.488 56.677 56.287 -0.163 0.000 0.988 250 K CB -0.017 32.414 32.500 -0.116 0.000 0.783 250 K HN 0.283 nan 8.250 nan 0.000 0.484 251 V N 1.129 120.792 119.914 -0.419 0.000 2.270 251 V HA -0.144 3.976 4.120 -0.000 0.000 0.245 251 V C 1.250 177.050 176.094 -0.491 0.000 1.043 251 V CA 1.619 63.578 62.300 -0.569 0.000 1.014 251 V CB 0.310 31.498 31.823 -1.057 0.000 0.645 251 V HN 0.346 nan 8.190 nan 0.000 0.447 252 V N -2.838 116.798 119.914 -0.464 0.000 2.464 252 V HA 0.407 4.527 4.120 -0.000 0.000 0.255 252 V C -1.520 174.424 176.094 -0.251 0.000 0.946 252 V CA -1.279 60.801 62.300 -0.367 0.000 0.988 252 V CB 0.539 32.093 31.823 -0.448 0.000 1.210 252 V HN 0.237 nan 8.190 nan 0.000 0.523 253 P HA -0.086 nan 4.420 nan 0.000 0.216 253 P C -1.289 175.952 177.300 -0.098 0.000 1.154 253 P CA 2.057 65.079 63.100 -0.130 0.000 0.865 253 P CB -1.022 30.610 31.700 -0.113 0.000 0.789 254 P HA -0.006 nan 4.420 nan 0.000 0.230 254 P C 0.475 177.749 177.300 -0.044 0.000 1.158 254 P CA 0.446 63.508 63.100 -0.064 0.000 0.769 254 P CB -0.193 31.469 31.700 -0.063 0.000 0.807 255 L N 1.015 122.190 121.223 -0.080 0.000 2.326 255 L HA 0.175 4.515 4.340 -0.000 0.000 0.278 255 L C 0.489 177.349 176.870 -0.017 0.000 1.092 255 L CA -0.692 54.114 54.840 -0.058 0.000 0.810 255 L CB 0.252 42.205 42.059 -0.178 0.000 1.153 255 L HN -0.069 nan 8.230 nan 0.000 0.439 256 D N 1.464 121.892 120.400 0.047 0.000 2.393 256 D HA 0.014 4.653 4.640 -0.000 0.000 0.246 256 D C 0.752 177.076 176.300 0.040 0.000 1.275 256 D CA -0.246 53.789 54.000 0.058 0.000 0.979 256 D CB 0.481 41.345 40.800 0.106 0.000 1.101 256 D HN 0.534 nan 8.370 nan 0.000 0.505 257 E N -0.722 119.507 120.200 0.048 0.000 2.150 257 E HA -0.170 4.180 4.350 -0.000 0.000 0.193 257 E C 1.096 177.729 176.600 0.055 0.000 0.985 257 E CA 1.217 57.641 56.400 0.040 0.000 0.814 257 E CB -0.217 29.507 29.700 0.040 0.000 0.752 257 E HN 0.432 nan 8.360 nan 0.000 0.466 258 D N -0.872 119.598 120.400 0.118 0.000 2.117 258 D HA -0.093 4.547 4.640 -0.000 0.000 0.198 258 D C 1.820 178.100 176.300 -0.033 0.000 0.982 258 D CA 1.410 55.537 54.000 0.212 0.000 0.828 258 D CB -0.540 40.474 40.800 0.356 0.000 0.967 258 D HN 0.367 nan 8.370 nan 0.000 0.464 259 G N 0.891 109.560 108.800 -0.218 0.000 2.418 259 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.217 259 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.217 259 G C 1.730 176.401 174.900 -0.381 0.000 1.158 259 G CA 0.312 44.947 45.100 -0.775 0.000 0.771 259 G HN 0.228 nan 8.290 nan 0.000 0.545 260 R N 0.792 121.193 120.500 -0.166 0.000 2.075 260 R HA -0.054 4.286 4.340 -0.000 0.000 0.232 260 R C 3.098 179.339 176.300 -0.099 0.000 1.126 260 R CA 1.567 57.655 56.100 -0.021 0.000 0.963 260 R CB -0.445 29.911 30.300 0.093 0.000 0.858 260 R HN 0.530 nan 8.270 nan 0.000 0.435 261 S N 1.460 117.099 115.700 -0.100 0.000 2.368 261 S HA -0.144 4.325 4.470 -0.000 0.000 0.225 261 S C 2.049 176.559 174.600 -0.149 0.000 1.030 261 S CA 0.992 59.139 58.200 -0.088 0.000 0.999 261 S CB -0.387 62.866 63.200 0.088 0.000 0.844 261 S HN 0.218 nan 8.310 nan 0.000 0.459 262 L N 1.170 122.181 121.223 -0.354 0.000 2.017 262 L HA 0.117 4.457 4.340 -0.000 0.000 0.208 262 L C 2.310 179.038 176.870 -0.236 0.000 1.073 262 L CA 1.675 56.184 54.840 -0.552 0.000 0.745 262 L CB -1.069 40.422 42.059 -0.946 0.000 0.894 262 L HN 0.422 nan 8.230 nan 0.000 0.432 263 L N -0.412 120.729 121.223 -0.136 0.000 2.046 263 L HA -0.176 4.164 4.340 -0.000 0.000 0.208 263 L C 2.771 179.560 176.870 -0.135 0.000 1.077 263 L CA 2.167 56.987 54.840 -0.033 0.000 0.747 263 L CB -0.976 41.057 42.059 -0.044 0.000 0.896 263 L HN 0.610 nan 8.230 nan 0.000 0.432 264 S N -1.364 114.146 115.700 -0.317 0.000 2.400 264 S HA -0.273 4.197 4.470 -0.000 0.000 0.232 264 S C 1.855 176.080 174.600 -0.624 0.000 1.025 264 S CA 1.414 59.238 58.200 -0.627 0.000 0.993 264 S CB -0.715 61.896 63.200 -0.982 0.000 0.808 264 S HN 0.711 nan 8.310 nan 0.000 0.478 265 Q N 0.132 119.666 119.800 -0.444 0.000 2.230 265 Q HA 0.175 4.515 4.340 -0.000 0.000 0.202 265 Q C 2.130 178.004 176.000 -0.211 0.000 0.963 265 Q CA 1.115 56.683 55.803 -0.391 0.000 0.866 265 Q CB -0.282 28.410 28.738 -0.077 0.000 0.931 265 Q HN 0.642 nan 8.270 nan 0.000 0.452 266 M N -0.081 119.427 119.600 -0.153 0.000 2.492 266 M HA -0.024 4.456 4.480 -0.000 0.000 0.262 266 M C 1.068 177.304 176.300 -0.105 0.000 1.090 266 M CA 0.944 56.208 55.300 -0.060 0.000 1.110 266 M CB 0.382 32.962 32.600 -0.032 0.000 1.407 266 M HN 0.115 nan 8.290 nan 0.000 0.470 267 L N -0.858 120.225 121.223 -0.233 0.000 2.872 267 L HA 0.187 4.527 4.340 -0.000 0.000 0.245 267 L C 0.015 176.857 176.870 -0.047 0.000 1.211 267 L CA -0.503 54.150 54.840 -0.312 0.000 1.013 267 L CB -0.424 41.365 42.059 -0.449 0.000 1.326 267 L HN 0.134 nan 8.230 nan 0.000 0.525 268 H N -0.681 118.402 119.070 0.022 0.000 2.897 268 H HA -0.017 4.539 4.556 -0.000 0.000 0.347 268 H C 0.574 175.902 175.328 -0.001 0.000 1.068 268 H CA 0.444 56.489 56.048 -0.006 0.000 1.426 268 H CB 0.864 30.618 29.762 -0.013 0.000 1.410 268 H HN 0.036 nan 8.280 nan 0.000 0.597 269 Y N 0.567 120.913 120.300 0.078 0.000 2.145 269 Y HA -0.192 4.358 4.550 -0.000 0.000 0.286 269 Y C 1.403 176.663 175.900 -1.067 0.000 1.145 269 Y CA 1.507 59.385 58.100 -0.370 0.000 1.148 269 Y CB -0.045 38.280 38.460 -0.224 0.000 0.981 269 Y HN 0.568 nan 8.280 nan 0.000 0.507 270 D N 0.502 120.507 120.400 -0.658 0.000 2.358 270 D HA 0.025 4.665 4.640 -0.000 0.000 0.258 270 D C -1.967 174.133 176.300 -0.334 0.000 1.223 270 D CA -1.900 51.635 54.000 -0.775 0.000 0.886 270 D CB 1.215 41.842 40.800 -0.289 0.000 1.120 270 D HN 0.031 nan 8.370 nan 0.000 0.482 271 P HA -0.121 nan 4.420 nan 0.000 0.217 271 P C 0.510 177.814 177.300 0.006 0.000 1.148 271 P CA 1.165 64.234 63.100 -0.051 0.000 0.828 271 P CB 0.225 31.944 31.700 0.032 0.000 0.783 272 N N -1.196 117.509 118.700 0.008 0.000 2.396 272 N HA -0.054 4.686 4.740 -0.000 0.000 0.180 272 N C 1.377 176.895 175.510 0.013 0.000 1.028 272 N CA 0.751 53.817 53.050 0.025 0.000 0.893 272 N CB -0.144 38.367 38.487 0.039 0.000 0.967 272 N HN 0.186 nan 8.380 nan 0.000 0.440 273 K N 0.089 120.479 120.400 -0.017 0.000 2.334 273 K HA 0.099 4.419 4.320 -0.000 0.000 0.195 273 K C 0.453 177.111 176.600 0.097 0.000 1.045 273 K CA -0.145 56.120 56.287 -0.036 0.000 1.004 273 K CB 0.422 32.788 32.500 -0.224 0.000 0.837 273 K HN 0.061 nan 8.250 nan 0.000 0.510 274 R N 2.297 122.872 120.500 0.126 0.000 2.522 274 R HA 0.071 4.411 4.340 -0.000 0.000 0.284 274 R C -0.016 176.374 176.300 0.150 0.000 1.032 274 R CA -0.024 56.188 56.100 0.186 0.000 1.049 274 R CB 0.205 30.598 30.300 0.155 0.000 0.956 274 R HN 0.097 nan 8.270 nan 0.000 0.422 275 I N 3.363 124.024 120.570 0.152 0.000 2.872 275 I HA -0.096 4.074 4.170 -0.000 0.000 0.291 275 I C 0.362 176.555 176.117 0.128 0.000 1.216 275 I CA 0.535 61.915 61.300 0.133 0.000 1.424 275 I CB 0.744 38.819 38.000 0.126 0.000 1.351 275 I HN 0.821 nan 8.210 nan 0.000 0.592 276 S N 5.660 121.433 115.700 0.122 0.000 2.652 276 S HA 0.435 4.905 4.470 -0.000 0.000 0.270 276 S C 0.967 175.649 174.600 0.137 0.000 1.243 276 S CA -0.221 58.057 58.200 0.131 0.000 0.999 276 S CB 1.669 64.934 63.200 0.108 0.000 0.973 276 S HN 0.794 nan 8.310 nan 0.000 0.544 277 A N 1.290 124.203 122.820 0.155 0.000 1.902 277 A HA -0.087 4.233 4.320 -0.000 0.000 0.217 277 A C 2.149 179.770 177.584 0.061 0.000 1.181 277 A CA 1.746 53.839 52.037 0.094 0.000 0.623 277 A CB -0.910 18.119 19.000 0.048 0.000 0.818 277 A HN 0.950 nan 8.150 nan 0.000 0.443 278 K N -0.288 120.153 120.400 0.068 0.000 2.057 278 K HA -0.079 4.241 4.320 -0.000 0.000 0.207 278 K C 2.115 178.767 176.600 0.086 0.000 1.049 278 K CA 1.253 57.571 56.287 0.053 0.000 0.931 278 K CB -0.328 32.202 32.500 0.049 0.000 0.714 278 K HN 0.350 nan 8.250 nan 0.000 0.440 279 A N 0.953 123.837 122.820 0.106 0.000 1.930 279 A HA -0.037 4.283 4.320 -0.000 0.000 0.217 279 A C 2.286 179.985 177.584 0.192 0.000 1.175 279 A CA 1.629 53.745 52.037 0.131 0.000 0.627 279 A CB -0.652 18.421 19.000 0.121 0.000 0.815 279 A HN 0.483 nan 8.150 nan 0.000 0.443 280 A N -0.151 122.789 122.820 0.199 0.000 1.933 280 A HA -0.030 4.290 4.320 -0.000 0.000 0.218 280 A C 2.066 179.908 177.584 0.430 0.000 1.175 280 A CA 1.379 53.591 52.037 0.291 0.000 0.628 280 A CB -0.583 18.552 19.000 0.225 0.000 0.814 280 A HN 0.473 nan 8.150 nan 0.000 0.444 281 L N -1.044 120.327 121.223 0.246 0.000 2.265 281 L HA -0.165 4.175 4.340 -0.000 0.000 0.215 281 L C 2.657 179.771 176.870 0.407 0.000 1.117 281 L CA 0.882 55.845 54.840 0.205 0.000 0.782 281 L CB -0.282 41.752 42.059 -0.041 0.000 0.914 281 L HN 0.447 nan 8.230 nan 0.000 0.441 282 A N -2.405 120.612 122.820 0.327 0.000 2.275 282 A HA -0.032 4.288 4.320 -0.000 0.000 0.212 282 A C 0.946 178.704 177.584 0.291 0.000 1.201 282 A CA -0.171 52.028 52.037 0.272 0.000 0.843 282 A CB -0.500 18.600 19.000 0.167 0.000 0.873 282 A HN 0.296 nan 8.150 nan 0.000 0.492 283 H N 0.779 120.029 119.070 0.300 0.000 2.871 283 H HA 0.074 4.630 4.556 -0.000 0.000 0.355 283 H C -1.741 173.685 175.328 0.162 0.000 1.092 283 H CA -0.992 55.176 56.048 0.199 0.000 1.420 283 H CB 1.079 30.940 29.762 0.165 0.000 1.400 283 H HN 0.003 nan 8.280 nan 0.000 0.604 284 P HA -0.178 nan 4.420 nan 0.000 0.220 284 P C 1.386 178.791 177.300 0.176 0.000 1.144 284 P CA 0.854 63.974 63.100 0.033 0.000 0.800 284 P CB -0.187 31.458 31.700 -0.092 0.000 0.772 285 F N -0.442 119.614 119.950 0.178 0.000 2.202 285 F HA -0.148 4.379 4.527 -0.000 0.000 0.301 285 F C 1.360 176.972 175.800 -0.314 0.000 1.082 285 F CA 1.329 59.225 58.000 -0.173 0.000 1.313 285 F CB -0.650 38.037 39.000 -0.522 0.000 1.024 285 F HN -0.171 nan 8.300 nan 0.000 0.495 286 F N -0.076 119.910 119.950 0.060 0.000 2.692 286 F HA 0.157 4.684 4.527 -0.000 0.000 0.303 286 F C 2.146 177.824 175.800 -0.203 0.000 1.114 286 F CA 0.025 57.917 58.000 -0.180 0.000 1.361 286 F CB -1.194 37.765 39.000 -0.068 0.000 1.063 286 F HN 0.041 nan 8.300 nan 0.000 0.550 287 Q N 1.050 120.856 119.800 0.009 0.000 2.135 287 Q HA -0.214 4.126 4.340 -0.000 0.000 0.204 287 Q C 0.942 176.898 176.000 -0.072 0.000 0.981 287 Q CA 1.933 57.727 55.803 -0.014 0.000 0.856 287 Q CB -0.011 28.722 28.738 -0.007 0.000 0.902 287 Q HN 0.430 nan 8.270 nan 0.000 0.425 288 D N -0.670 119.661 120.400 -0.116 0.000 2.525 288 D HA 0.035 4.675 4.640 -0.000 0.000 0.229 288 D C -0.090 176.108 176.300 -0.169 0.000 1.202 288 D CA -0.299 53.625 54.000 -0.125 0.000 0.828 288 D CB -0.053 40.682 40.800 -0.108 0.000 1.008 288 D HN 0.035 nan 8.370 nan 0.000 0.493 289 V N 1.246 121.029 119.914 -0.219 0.000 2.740 289 V HA 0.415 4.535 4.120 -0.000 0.000 0.303 289 V C 0.384 176.343 176.094 -0.226 0.000 1.054 289 V CA 0.769 62.907 62.300 -0.269 0.000 1.106 289 V CB 0.906 32.436 31.823 -0.488 0.000 0.957 289 V HN 0.628 nan 8.190 nan 0.000 0.486 290 T N 3.171 117.622 114.554 -0.171 0.000 2.716 290 T HA 0.494 4.843 4.350 -0.000 0.000 0.286 290 T C -0.644 174.003 174.700 -0.088 0.000 1.052 290 T CA -0.865 61.166 62.100 -0.116 0.000 1.024 290 T CB 1.639 70.454 68.868 -0.088 0.000 1.349 290 T HN 0.647 nan 8.240 nan 0.000 0.525 291 K N 1.885 122.251 120.400 -0.057 0.000 2.624 291 K HA 0.454 4.774 4.320 -0.000 0.000 0.200 291 K C -2.678 173.898 176.600 -0.039 0.000 1.036 291 K CA -1.627 54.639 56.287 -0.035 0.000 1.029 291 K CB 0.507 33.003 32.500 -0.008 0.000 1.317 291 K HN 0.422 nan 8.250 nan 0.000 0.555 292 P HA 0.132 nan 4.420 nan 0.000 0.276 292 P C -0.930 176.340 177.300 -0.050 0.000 1.261 292 P CA -0.694 62.373 63.100 -0.055 0.000 0.800 292 P CB 0.916 32.574 31.700 -0.070 0.000 1.066 293 V N 2.882 122.778 119.914 -0.030 0.000 2.427 293 V HA 0.349 4.469 4.120 -0.000 0.000 0.286 293 V C -1.754 174.335 176.094 -0.007 0.000 1.034 293 V CA -1.363 60.924 62.300 -0.021 0.000 0.893 293 V CB 1.033 32.844 31.823 -0.020 0.000 0.982 293 V HN 0.671 nan 8.190 nan 0.000 0.452 294 P HA 0.203 nan 4.420 nan 0.000 0.276 294 P C -0.922 176.444 177.300 0.111 0.000 1.244 294 P CA -0.437 62.698 63.100 0.059 0.000 0.801 294 P CB 0.821 32.460 31.700 -0.101 0.000 1.006 295 H N 2.161 121.343 119.070 0.188 0.000 2.741 295 H HA 0.360 4.916 4.556 -0.000 0.000 0.282 295 H C -0.645 174.821 175.328 0.230 0.000 1.122 295 H CA -0.294 55.850 56.048 0.160 0.000 1.293 295 H CB -0.269 29.572 29.762 0.131 0.000 1.415 295 H HN 0.286 nan 8.280 nan 0.000 0.472 296 L N 5.572 126.948 121.223 0.255 0.000 2.317 296 L HA 0.473 4.812 4.340 -0.000 0.000 0.281 296 L C 0.339 177.350 176.870 0.235 0.000 1.024 296 L CA -0.776 54.221 54.840 0.260 0.000 0.810 296 L CB 1.598 43.740 42.059 0.138 0.000 1.240 296 L HN 0.439 nan 8.230 nan 0.000 0.427 297 R N 4.375 125.011 120.500 0.226 0.000 2.239 297 R HA 0.566 4.906 4.340 -0.000 0.000 0.332 297 R C -0.767 175.609 176.300 0.126 0.000 0.988 297 R CA -0.430 55.769 56.100 0.164 0.000 0.859 297 R CB 1.028 31.412 30.300 0.141 0.000 1.148 297 R HN 0.494 nan 8.270 nan 0.000 0.482 298 L N 0.000 121.281 121.223 0.097 0.000 2.949 298 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 298 L CA 0.000 54.889 54.840 0.081 0.000 0.813 298 L CB 0.000 42.090 42.059 0.051 0.000 0.961 298 L HN 0.000 nan 8.230 nan 0.000 0.502