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 2w40_1_A DATA FIRST_RESID 1 DATA SEQUENCE MNVILSIDQS TQSTKVFFYD EELNIVHSNN LNHEQKCLKP GWYEHDPIEI DATA SEQUENCE MTNLYNLMNE GIKVLKDKYT SVIIKCIGIT NQRETVIIWD RITGKPLYNA DATA SEQUENCE IVWLDTRVEE LVTEFSAKYN NNDIQKKTGT YFNTYFSAFK ILWLIQNNPE DATA SEQUENCE IKQKIDDGTA VIGNINTWLI FNLTKGNCYT DVTNASRTLL MDINTLQWDE DATA SEQUENCE KMCKIFNITN MSVLPEIKSN CSNFGLVKSE HVPDYLNIPI TGCIGDQQSA DATA SEQUENCE CIGQAIFDEG EAKCTYGTGV FLLINTGEKV VYSTCGLITT ICYKFNDNDK DATA SEQUENCE PKYALEGSIG TAGSGVSWLL KNKLIDDPSE ASDIMEKCEN TTGVIFVPAF DATA SEQUENCE SGLYAPRWRS DARASIYGMT FNTERSHIVR ALLEGIAFQL NEIVDSLTSD DATA SEQUENCE MGIEMLHVLR CDGGMTKNKP FMQFNSDIIN TKIEVSKYKE VTSLGAAVLA DATA SEQUENCE GLEVKIWDSL DSVKSLLRRS DAVFHSKMDD KKRKKKTSEW NKAVERTLIQ DATA SEQUENCE L 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 0.000 176.206 176.300 -0.156 0.000 1.140 1 M CA 0.000 55.162 55.300 -0.230 0.000 0.988 1 M CB 0.000 32.222 32.600 -0.630 0.000 1.302 2 N N 3.287 121.923 118.700 -0.107 0.000 2.472 2 N HA 0.759 5.499 4.740 -0.000 0.000 0.277 2 N C -0.746 174.739 175.510 -0.042 0.000 1.081 2 N CA -0.165 52.845 53.050 -0.067 0.000 0.973 2 N CB 1.727 40.177 38.487 -0.060 0.000 1.105 2 N HN 0.654 nan 8.380 nan 0.000 0.470 3 V N -0.590 119.327 119.914 0.006 0.000 3.078 3 V HA 0.664 4.784 4.120 -0.000 0.000 0.311 3 V C -0.426 175.739 176.094 0.119 0.000 1.138 3 V CA -1.020 61.335 62.300 0.092 0.000 1.007 3 V CB 1.792 33.713 31.823 0.164 0.000 1.045 3 V HN 0.424 nan 8.190 nan 0.000 0.432 4 I N 3.392 124.066 120.570 0.173 0.000 2.377 4 I HA 0.474 4.644 4.170 -0.000 0.000 0.293 4 I C -0.716 175.510 176.117 0.181 0.000 0.987 4 I CA -0.729 60.661 61.300 0.150 0.000 1.185 4 I CB 1.749 39.833 38.000 0.140 0.000 1.341 4 I HN 0.606 nan 8.210 nan 0.000 0.455 5 L N 6.412 127.689 121.223 0.090 0.000 2.264 5 L HA 0.451 4.791 4.340 -0.000 0.000 0.289 5 L C -0.090 176.766 176.870 -0.023 0.000 1.044 5 L CA 0.440 55.223 54.840 -0.095 0.000 0.807 5 L CB 1.307 43.297 42.059 -0.115 0.000 1.192 5 L HN 0.563 nan 8.230 nan 0.000 0.425 6 S N 6.172 121.888 115.700 0.027 0.000 2.474 6 S HA 0.627 5.097 4.470 -0.000 0.000 0.321 6 S C -0.404 174.246 174.600 0.082 0.000 1.080 6 S CA -0.635 57.620 58.200 0.091 0.000 1.106 6 S CB 0.164 63.494 63.200 0.215 0.000 0.984 6 S HN 0.568 nan 8.310 nan 0.000 0.464 7 I N 4.151 124.730 120.570 0.015 0.000 2.331 7 I HA 0.322 4.492 4.170 -0.000 0.000 0.292 7 I C -0.413 175.734 176.117 0.050 0.000 0.998 7 I CA -0.459 60.846 61.300 0.007 0.000 1.267 7 I CB 1.361 39.325 38.000 -0.060 0.000 1.386 7 I HN 0.536 nan 8.210 nan 0.000 0.476 8 D N 6.465 126.930 120.400 0.107 0.000 2.464 8 D HA 0.071 4.711 4.640 -0.000 0.000 0.243 8 D C -0.507 175.844 176.300 0.084 0.000 1.104 8 D CA -0.449 53.614 54.000 0.106 0.000 0.883 8 D CB 0.947 41.860 40.800 0.188 0.000 1.050 8 D HN 0.230 nan 8.370 nan 0.000 0.524 9 Q N 2.752 122.582 119.800 0.050 0.000 2.490 9 Q HA 0.225 4.565 4.340 -0.000 0.000 0.226 9 Q C -0.690 175.371 176.000 0.103 0.000 1.132 9 Q CA -0.052 55.782 55.803 0.052 0.000 0.928 9 Q CB 0.540 29.288 28.738 0.016 0.000 1.299 9 Q HN 0.403 nan 8.270 nan 0.000 0.528 10 S N 1.375 117.165 115.700 0.150 0.000 2.730 10 S HA 0.342 4.812 4.470 -0.000 0.000 0.284 10 S C 1.182 175.953 174.600 0.286 0.000 1.153 10 S CA -0.207 58.108 58.200 0.191 0.000 0.995 10 S CB 0.954 64.257 63.200 0.171 0.000 1.058 10 S HN 0.652 nan 8.310 nan 0.000 0.552 11 T N 2.082 116.844 114.554 0.347 0.000 2.652 11 T HA -0.140 4.210 4.350 -0.000 0.000 0.267 11 T C 1.554 176.391 174.700 0.228 0.000 1.039 11 T CA 1.619 63.996 62.100 0.460 0.000 1.153 11 T CB -0.295 68.923 68.868 0.582 0.000 0.863 11 T HN 0.617 nan 8.240 nan 0.000 0.428 12 Q N 0.338 120.203 119.800 0.108 0.000 2.396 12 Q HA 0.205 4.545 4.340 -0.000 0.000 0.209 12 Q C 0.641 176.492 176.000 -0.247 0.000 0.906 12 Q CA 0.112 55.847 55.803 -0.113 0.000 0.927 12 Q CB 0.544 29.296 28.738 0.023 0.000 1.069 12 Q HN 0.556 nan 8.270 nan 0.000 0.523 13 S N -1.385 114.317 115.700 0.004 0.000 2.615 13 S HA 0.477 4.947 4.470 -0.000 0.000 0.269 13 S C -0.769 173.942 174.600 0.185 0.000 1.161 13 S CA -0.916 57.343 58.200 0.099 0.000 0.817 13 S CB 2.069 65.297 63.200 0.048 0.000 1.131 13 S HN -0.114 nan 8.310 nan 0.000 0.467 14 T N 1.750 116.387 114.554 0.138 0.000 2.792 14 T HA 0.610 4.960 4.350 -0.000 0.000 0.280 14 T C -0.979 173.734 174.700 0.022 0.000 0.990 14 T CA -0.733 61.406 62.100 0.065 0.000 0.960 14 T CB 0.993 69.864 68.868 0.003 0.000 0.939 14 T HN 0.613 nan 8.240 nan 0.000 0.439 15 K N 1.811 122.223 120.400 0.020 0.000 2.324 15 K HA 0.729 5.049 4.320 -0.000 0.000 0.253 15 K C -0.688 175.850 176.600 -0.104 0.000 0.932 15 K CA -1.025 55.223 56.287 -0.065 0.000 0.799 15 K CB 2.243 34.772 32.500 0.047 0.000 1.154 15 K HN 0.475 nan 8.250 nan 0.000 0.425 16 V N -0.504 119.240 119.914 -0.284 0.000 2.628 16 V HA 0.702 4.822 4.120 -0.000 0.000 0.306 16 V C -1.120 174.631 176.094 -0.571 0.000 1.045 16 V CA -0.791 61.350 62.300 -0.264 0.000 0.905 16 V CB 0.700 32.421 31.823 -0.169 0.000 0.997 16 V HN 0.601 nan 8.190 nan 0.000 0.436 17 F N 3.352 123.163 119.950 -0.231 0.000 2.547 17 F HA 0.732 5.259 4.527 0.000 0.000 0.316 17 F C -0.616 174.989 175.800 -0.325 0.000 1.121 17 F CA -0.576 57.286 58.000 -0.229 0.000 0.911 17 F CB 2.152 41.006 39.000 -0.243 0.000 1.179 17 F HN 0.435 nan 8.300 nan 0.000 0.443 18 F N 2.822 122.813 119.950 0.068 0.000 2.388 18 F HA 0.477 5.004 4.527 -0.000 0.000 0.358 18 F C -0.757 175.043 175.800 -0.001 0.000 1.122 18 F CA -0.984 57.083 58.000 0.110 0.000 1.056 18 F CB 0.864 39.950 39.000 0.144 0.000 1.155 18 F HN 0.312 nan 8.300 nan 0.000 0.461 19 Y N 1.837 122.280 120.300 0.239 0.000 2.360 19 Y HA 0.279 4.829 4.550 0.000 0.000 0.337 19 Y C 0.271 176.250 175.900 0.132 0.000 1.039 19 Y CA -1.220 56.980 58.100 0.166 0.000 1.109 19 Y CB 1.078 39.609 38.460 0.118 0.000 1.201 19 Y HN 0.579 nan 8.280 nan 0.000 0.458 20 D N 0.394 120.948 120.400 0.257 0.000 2.398 20 D HA 0.019 4.658 4.640 -0.000 0.000 0.247 20 D C 0.303 176.725 176.300 0.203 0.000 1.227 20 D CA -0.345 53.748 54.000 0.155 0.000 0.980 20 D CB 0.625 41.474 40.800 0.083 0.000 1.106 20 D HN 0.656 nan 8.370 nan 0.000 0.493 21 E N -1.004 119.281 120.200 0.141 0.000 2.515 21 E HA -0.090 4.260 4.350 -0.000 0.000 0.201 21 E C 0.533 177.356 176.600 0.372 0.000 1.071 21 E CA 0.491 57.010 56.400 0.198 0.000 0.880 21 E CB 0.107 29.826 29.700 0.032 0.000 0.828 21 E HN 0.413 nan 8.360 nan 0.000 0.540 22 E N 0.100 120.450 120.200 0.249 0.000 2.463 22 E HA 0.078 4.428 4.350 -0.000 0.000 0.193 22 E C 0.657 177.340 176.600 0.138 0.000 1.041 22 E CA -0.113 56.404 56.400 0.195 0.000 0.879 22 E CB 0.313 30.092 29.700 0.131 0.000 0.997 22 E HN 0.225 nan 8.360 nan 0.000 0.478 23 L N 0.401 121.744 121.223 0.201 0.000 4.089 23 L HA -0.279 4.061 4.340 -0.000 0.000 0.408 23 L C -0.577 176.452 176.870 0.265 0.000 1.184 23 L CA 0.224 55.161 54.840 0.163 0.000 0.947 23 L CB -2.215 39.769 42.059 -0.126 0.000 2.066 23 L HN 0.151 nan 8.230 nan 0.000 0.851 24 N N 0.537 119.380 118.700 0.239 0.000 2.514 24 N HA 0.488 5.227 4.740 -0.000 0.000 0.277 24 N C 0.163 175.773 175.510 0.168 0.000 1.126 24 N CA -0.566 52.597 53.050 0.188 0.000 0.978 24 N CB 0.878 39.447 38.487 0.136 0.000 1.106 24 N HN 0.174 nan 8.380 nan 0.000 0.461 25 I N 2.652 123.247 120.570 0.041 0.000 2.578 25 I HA -0.079 4.091 4.170 -0.000 0.000 0.286 25 I C 1.517 177.658 176.117 0.041 0.000 1.126 25 I CA -0.202 61.026 61.300 -0.120 0.000 1.380 25 I CB 0.368 38.298 38.000 -0.117 0.000 1.408 25 I HN 0.539 nan 8.210 nan 0.000 0.532 26 V N 3.162 123.129 119.914 0.089 0.000 2.992 26 V HA 0.144 4.264 4.120 -0.000 0.000 0.250 26 V C 0.665 176.896 176.094 0.230 0.000 1.090 26 V CA 0.718 63.116 62.300 0.163 0.000 1.101 26 V CB -0.431 31.471 31.823 0.131 0.000 0.743 26 V HN 0.850 nan 8.190 nan 0.000 0.468 27 H N 0.355 119.498 119.070 0.123 0.000 3.079 27 H HA 0.606 5.162 4.556 -0.000 0.000 0.356 27 H C -1.700 173.724 175.328 0.160 0.000 1.221 27 H CA 0.373 56.485 56.048 0.107 0.000 1.185 27 H CB 2.287 32.051 29.762 0.003 0.000 1.882 27 H HN 0.478 nan 8.280 nan 0.000 0.543 28 S N 4.311 119.592 115.700 -0.698 0.000 2.570 28 S HA 0.546 5.016 4.470 -0.000 0.000 0.270 28 S C -1.432 172.720 174.600 -0.747 0.000 1.149 28 S CA -0.950 56.833 58.200 -0.695 0.000 0.837 28 S CB 2.771 65.610 63.200 -0.603 0.000 1.124 28 S HN 0.755 nan 8.310 nan 0.000 0.465 29 N N 0.415 118.790 118.700 -0.541 0.000 3.046 29 N HA 0.514 5.254 4.740 -0.000 0.000 0.243 29 N C -2.218 173.156 175.510 -0.227 0.000 1.452 29 N CA -0.391 52.487 53.050 -0.287 0.000 0.882 29 N CB 2.012 40.438 38.487 -0.101 0.000 1.425 29 N HN 1.018 nan 8.380 nan 0.000 0.517 30 N N 0.575 119.205 118.700 -0.117 0.000 2.610 30 N HA 0.515 5.255 4.740 -0.000 0.000 0.264 30 N C -1.795 173.703 175.510 -0.019 0.000 1.348 30 N CA -0.480 52.528 53.050 -0.071 0.000 0.819 30 N CB 1.770 40.221 38.487 -0.060 0.000 1.521 30 N HN 0.424 nan 8.380 nan 0.000 0.497 31 L N 0.912 122.138 121.223 0.006 0.000 2.464 31 L HA 0.386 4.726 4.340 -0.000 0.000 0.266 31 L C -0.774 176.124 176.870 0.048 0.000 0.965 31 L CA -0.959 53.894 54.840 0.022 0.000 0.833 31 L CB 2.097 44.172 42.059 0.026 0.000 1.296 31 L HN 0.516 nan 8.230 nan 0.000 0.405 32 N N 1.850 120.564 118.700 0.024 0.000 2.467 32 N HA 0.295 5.035 4.740 -0.000 0.000 0.262 32 N C -0.800 174.733 175.510 0.039 0.000 1.234 32 N CA -0.219 52.827 53.050 -0.007 0.000 0.952 32 N CB 0.600 39.060 38.487 -0.044 0.000 1.158 32 N HN 0.543 nan 8.380 nan 0.000 0.463 33 H N -1.950 117.089 119.070 -0.052 0.000 2.797 33 H HA 0.351 4.907 4.556 -0.000 0.000 0.372 33 H C -0.740 174.561 175.328 -0.046 0.000 1.168 33 H CA -0.784 55.225 56.048 -0.064 0.000 1.163 33 H CB 0.987 30.683 29.762 -0.110 0.000 1.778 33 H HN 0.470 nan 8.280 nan 0.000 0.551 34 E N 1.291 121.520 120.200 0.049 0.000 2.415 34 E HA -0.021 4.329 4.350 -0.000 0.000 0.263 34 E C -0.558 176.085 176.600 0.072 0.000 0.995 34 E CA -0.413 55.999 56.400 0.021 0.000 0.915 34 E CB 0.543 30.270 29.700 0.045 0.000 0.951 34 E HN 0.383 nan 8.360 nan 0.000 0.449 35 Q N 4.065 123.864 119.800 -0.000 0.000 2.406 35 Q HA 0.185 4.525 4.340 -0.000 0.000 0.242 35 Q C -0.880 175.013 176.000 -0.178 0.000 1.036 35 Q CA -0.055 55.736 55.803 -0.021 0.000 0.904 35 Q CB 0.863 29.548 28.738 -0.089 0.000 1.244 35 Q HN 0.317 nan 8.270 nan 0.000 0.478 36 K N 1.801 122.123 120.400 -0.129 0.000 2.267 36 K HA 0.348 4.668 4.320 -0.000 0.000 0.282 36 K C -0.570 175.907 176.600 -0.205 0.000 1.078 36 K CA -0.227 55.993 56.287 -0.113 0.000 0.903 36 K CB 0.658 33.156 32.500 -0.004 0.000 1.111 36 K HN 0.515 nan 8.250 nan 0.000 0.475 37 C N 4.551 123.739 119.300 -0.187 0.000 3.169 37 C HA 0.128 4.588 4.460 -0.000 0.000 0.232 37 C C 1.314 176.277 174.990 -0.045 0.000 1.316 37 C CA -0.662 58.273 59.018 -0.139 0.000 1.545 37 C CB -1.045 26.565 27.740 -0.216 0.000 1.785 37 C HN 0.902 nan 8.230 nan 0.000 0.454 38 L N 1.575 122.798 121.223 -0.001 0.000 2.156 38 L HA 0.137 4.477 4.340 -0.000 0.000 0.208 38 L C 0.766 177.539 176.870 -0.162 0.000 1.095 38 L CA 2.033 56.834 54.840 -0.065 0.000 0.770 38 L CB -0.117 41.918 42.059 -0.039 0.000 0.914 38 L HN 0.482 nan 8.230 nan 0.000 0.439 39 K N -0.926 119.349 120.400 -0.209 0.000 2.512 39 K HA 0.452 4.772 4.320 -0.000 0.000 0.263 39 K C -2.582 173.955 176.600 -0.105 0.000 0.966 39 K CA -2.114 53.981 56.287 -0.319 0.000 0.851 39 K CB 1.154 33.141 32.500 -0.854 0.000 1.395 39 K HN -0.339 nan 8.250 nan 0.000 0.440 40 P HA -0.038 nan 4.420 nan 0.000 0.261 40 P C 0.590 177.981 177.300 0.152 0.000 1.183 40 P CA 1.115 64.248 63.100 0.055 0.000 0.761 40 P CB 0.363 32.087 31.700 0.041 0.000 0.785 41 G N 1.237 110.153 108.800 0.193 0.000 2.284 41 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.230 41 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.230 41 G C -0.446 174.642 174.900 0.314 0.000 1.021 41 G CA -0.638 44.608 45.100 0.244 0.000 0.619 41 G HN 0.353 nan 8.290 nan 0.000 0.510 42 W N 0.535 121.827 121.300 -0.013 0.000 2.272 42 W HA 0.752 5.412 4.660 0.000 0.000 0.318 42 W C 0.067 176.596 176.519 0.017 0.000 1.255 42 W CA -0.520 56.805 57.345 -0.033 0.000 1.200 42 W CB 0.149 29.580 29.460 -0.048 0.000 1.170 42 W HN 0.191 nan 8.180 nan 0.000 0.549 43 Y N 2.199 122.509 120.300 0.016 0.000 2.298 43 Y HA 0.274 4.824 4.550 0.000 0.000 0.322 43 Y C -0.505 175.302 175.900 -0.155 0.000 1.138 43 Y CA -0.711 57.350 58.100 -0.066 0.000 1.127 43 Y CB 1.113 39.486 38.460 -0.144 0.000 1.178 43 Y HN 0.447 nan 8.280 nan 0.000 0.428 44 E N 3.752 124.007 120.200 0.092 0.000 2.312 44 E HA 0.415 4.765 4.350 -0.000 0.000 0.267 44 E C -1.538 175.085 176.600 0.037 0.000 0.894 44 E CA -1.100 55.309 56.400 0.016 0.000 0.773 44 E CB 2.651 32.368 29.700 0.028 0.000 1.241 44 E HN 0.632 nan 8.360 nan 0.000 0.432 45 H N -0.184 118.954 119.070 0.113 0.000 2.679 45 H HA 0.194 4.750 4.556 -0.000 0.000 0.367 45 H C -1.057 174.273 175.328 0.004 0.000 1.162 45 H CA -1.072 55.045 56.048 0.115 0.000 1.181 45 H CB 1.734 31.585 29.762 0.150 0.000 1.693 45 H HN 0.336 nan 8.280 nan 0.000 0.538 46 D N 2.819 123.307 120.400 0.147 0.000 2.339 46 D HA 0.061 4.701 4.640 -0.000 0.000 0.241 46 D C -1.737 174.553 176.300 -0.017 0.000 1.183 46 D CA -2.440 51.576 54.000 0.026 0.000 0.859 46 D CB 1.356 42.175 40.800 0.031 0.000 1.067 46 D HN 0.281 nan 8.370 nan 0.000 0.484 47 P HA -0.096 nan 4.420 nan 0.000 0.218 47 P C 1.649 179.050 177.300 0.167 0.000 1.149 47 P CA 0.431 63.443 63.100 -0.147 0.000 0.817 47 P CB 0.484 31.776 31.700 -0.680 0.000 0.785 48 I N 0.368 121.008 120.570 0.117 0.000 2.286 48 I HA -0.144 4.026 4.170 -0.000 0.000 0.245 48 I C 2.487 178.625 176.117 0.034 0.000 1.104 48 I CA 1.247 62.627 61.300 0.132 0.000 1.397 48 I CB -1.540 36.518 38.000 0.096 0.000 1.072 48 I HN 0.117 nan 8.210 nan 0.000 0.417 49 E N 1.473 121.679 120.200 0.010 0.000 2.085 49 E HA -0.226 4.124 4.350 -0.000 0.000 0.194 49 E C 2.389 178.945 176.600 -0.073 0.000 0.994 49 E CA 1.369 57.759 56.400 -0.016 0.000 0.801 49 E CB -0.012 29.695 29.700 0.012 0.000 0.743 49 E HN 0.429 nan 8.360 nan 0.000 0.453 50 I N 0.333 120.829 120.570 -0.123 0.000 2.179 50 I HA -0.296 3.874 4.170 -0.000 0.000 0.242 50 I C 2.553 178.554 176.117 -0.194 0.000 1.088 50 I CA 0.817 61.983 61.300 -0.223 0.000 1.357 50 I CB -0.222 37.627 38.000 -0.252 0.000 1.051 50 I HN 0.277 nan 8.210 nan 0.000 0.409 51 M N 0.007 119.502 119.600 -0.175 0.000 2.117 51 M HA -0.162 4.318 4.480 -0.000 0.000 0.262 51 M C 2.467 178.417 176.300 -0.583 0.000 1.065 51 M CA 1.958 56.965 55.300 -0.487 0.000 1.114 51 M CB -1.548 30.769 32.600 -0.471 0.000 1.361 51 M HN 0.200 nan 8.290 nan 0.000 0.408 52 T N 1.010 115.406 114.554 -0.263 0.000 2.720 52 T HA -0.129 4.221 4.350 -0.000 0.000 0.268 52 T C 1.652 176.304 174.700 -0.079 0.000 1.037 52 T CA 1.491 63.524 62.100 -0.112 0.000 1.144 52 T CB -0.272 68.572 68.868 -0.040 0.000 0.864 52 T HN 0.298 nan 8.240 nan 0.000 0.444 53 N N 1.187 119.831 118.700 -0.094 0.000 2.069 53 N HA -0.048 4.692 4.740 -0.000 0.000 0.191 53 N C 1.693 177.160 175.510 -0.072 0.000 1.031 53 N CA 0.687 53.704 53.050 -0.054 0.000 0.852 53 N CB -0.719 37.743 38.487 -0.042 0.000 1.018 53 N HN 0.202 nan 8.380 nan 0.000 0.423 54 L N 0.240 121.360 121.223 -0.171 0.000 2.046 54 L HA -0.116 4.224 4.340 -0.000 0.000 0.208 54 L C 1.668 178.488 176.870 -0.082 0.000 1.077 54 L CA 1.581 56.317 54.840 -0.172 0.000 0.747 54 L CB -0.984 40.891 42.059 -0.306 0.000 0.896 54 L HN 0.105 nan 8.230 nan 0.000 0.432 55 Y N 0.154 120.403 120.300 -0.084 0.000 2.181 55 Y HA -0.194 4.356 4.550 -0.000 0.000 0.288 55 Y C 2.610 178.502 175.900 -0.014 0.000 1.146 55 Y CA 1.264 59.325 58.100 -0.065 0.000 1.164 55 Y CB -1.239 37.182 38.460 -0.064 0.000 0.982 55 Y HN 0.337 nan 8.280 nan 0.000 0.515 56 N N 0.141 118.934 118.700 0.155 0.000 2.120 56 N HA -0.138 4.602 4.740 -0.000 0.000 0.188 56 N C 1.979 177.556 175.510 0.112 0.000 1.024 56 N CA 1.115 54.232 53.050 0.112 0.000 0.852 56 N CB -0.664 37.868 38.487 0.075 0.000 1.003 56 N HN 0.331 nan 8.380 nan 0.000 0.424 57 L N 0.441 121.720 121.223 0.093 0.000 2.046 57 L HA -0.088 4.252 4.340 -0.000 0.000 0.208 57 L C 2.390 179.388 176.870 0.212 0.000 1.077 57 L CA 1.010 55.923 54.840 0.122 0.000 0.747 57 L CB -0.310 41.785 42.059 0.060 0.000 0.896 57 L HN 0.136 nan 8.230 nan 0.000 0.432 58 M N -0.676 119.025 119.600 0.168 0.000 2.132 58 M HA -0.174 4.306 4.480 -0.000 0.000 0.263 58 M C 2.001 178.541 176.300 0.402 0.000 1.065 58 M CA 1.512 56.952 55.300 0.232 0.000 1.122 58 M CB -0.426 32.077 32.600 -0.162 0.000 1.365 58 M HN 0.258 nan 8.290 nan 0.000 0.411 59 N N 0.216 119.077 118.700 0.268 0.000 2.142 59 N HA -0.165 4.575 4.740 -0.000 0.000 0.186 59 N C 1.585 177.191 175.510 0.161 0.000 1.023 59 N CA 1.105 54.300 53.050 0.242 0.000 0.852 59 N CB -0.410 38.175 38.487 0.163 0.000 0.998 59 N HN 0.430 nan 8.380 nan 0.000 0.424 60 E N 0.579 120.863 120.200 0.139 0.000 2.106 60 E HA -0.089 4.261 4.350 -0.000 0.000 0.192 60 E C 1.816 178.407 176.600 -0.015 0.000 0.984 60 E CA 1.063 57.504 56.400 0.069 0.000 0.806 60 E CB -0.187 29.571 29.700 0.096 0.000 0.750 60 E HN 0.331 nan 8.360 nan 0.000 0.458 61 G N 1.667 110.523 108.800 0.092 0.000 2.402 61 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.216 61 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.216 61 G C 1.643 176.216 174.900 -0.546 0.000 1.162 61 G CA 0.618 45.560 45.100 -0.262 0.000 0.777 61 G HN 0.362 nan 8.290 nan 0.000 0.539 62 I N 0.018 120.480 120.570 -0.181 0.000 2.439 62 I HA 0.003 4.173 4.170 -0.000 0.000 0.251 62 I C 2.634 178.634 176.117 -0.196 0.000 1.139 62 I CA 1.345 62.510 61.300 -0.225 0.000 1.438 62 I CB -0.063 37.844 38.000 -0.155 0.000 1.085 62 I HN 0.152 nan 8.210 nan 0.000 0.427 63 K N 0.252 120.570 120.400 -0.136 0.000 2.026 63 K HA -0.172 4.148 4.320 -0.000 0.000 0.208 63 K C 1.952 178.449 176.600 -0.173 0.000 1.048 63 K CA 1.970 58.185 56.287 -0.119 0.000 0.929 63 K CB -0.056 32.403 32.500 -0.069 0.000 0.713 63 K HN 0.245 nan 8.250 nan 0.000 0.439 64 V N 1.802 121.549 119.914 -0.278 0.000 2.295 64 V HA -0.260 3.859 4.120 -0.000 0.000 0.246 64 V C 2.340 178.279 176.094 -0.259 0.000 1.049 64 V CA 1.695 63.800 62.300 -0.325 0.000 1.024 64 V CB -0.356 31.114 31.823 -0.589 0.000 0.648 64 V HN 0.333 nan 8.190 nan 0.000 0.447 65 L N -0.709 120.339 121.223 -0.292 0.000 2.093 65 L HA -0.168 4.172 4.340 -0.000 0.000 0.208 65 L C 2.512 179.396 176.870 0.022 0.000 1.085 65 L CA 1.605 56.399 54.840 -0.076 0.000 0.755 65 L CB -0.540 41.409 42.059 -0.184 0.000 0.904 65 L HN 0.274 nan 8.230 nan 0.000 0.435 66 K N -0.392 119.966 120.400 -0.071 0.000 2.228 66 K HA -0.099 4.221 4.320 -0.000 0.000 0.202 66 K C 1.523 178.088 176.600 -0.059 0.000 1.051 66 K CA 0.782 57.042 56.287 -0.044 0.000 0.960 66 K CB 0.011 32.470 32.500 -0.068 0.000 0.743 66 K HN 0.184 nan 8.250 nan 0.000 0.458 67 D N 0.851 121.197 120.400 -0.090 0.000 2.178 67 D HA -0.141 4.499 4.640 -0.000 0.000 0.201 67 D C 1.630 177.846 176.300 -0.140 0.000 0.980 67 D CA 1.226 55.165 54.000 -0.101 0.000 0.842 67 D CB 0.175 40.912 40.800 -0.106 0.000 0.948 67 D HN 0.104 nan 8.370 nan 0.000 0.472 68 K N -1.316 118.967 120.400 -0.195 0.000 2.276 68 K HA 0.016 4.336 4.320 -0.000 0.000 0.198 68 K C -0.215 176.011 176.600 -0.624 0.000 1.052 68 K CA 0.279 56.312 56.287 -0.423 0.000 0.984 68 K CB 0.466 32.627 32.500 -0.566 0.000 0.836 68 K HN 0.045 nan 8.250 nan 0.000 0.490 69 Y N -1.077 119.188 120.300 -0.059 0.000 2.509 69 Y HA 0.130 4.680 4.550 0.000 0.000 0.341 69 Y C 1.353 177.226 175.900 -0.044 0.000 1.038 69 Y CA -0.682 57.392 58.100 -0.044 0.000 1.089 69 Y CB 1.771 40.206 38.460 -0.042 0.000 1.241 69 Y HN -0.216 nan 8.280 nan 0.000 0.468 70 T N -0.059 114.563 114.554 0.114 0.000 2.812 70 T HA -0.002 4.348 4.350 -0.000 0.000 0.264 70 T C 0.341 175.062 174.700 0.035 0.000 1.042 70 T CA 1.322 63.448 62.100 0.043 0.000 1.140 70 T CB -0.263 68.624 68.868 0.030 0.000 0.870 70 T HN 0.621 nan 8.240 nan 0.000 0.445 71 S N -0.040 115.689 115.700 0.048 0.000 2.548 71 S HA 0.739 5.209 4.470 -0.000 0.000 0.286 71 S C -1.211 173.399 174.600 0.017 0.000 1.098 71 S CA -0.883 57.328 58.200 0.018 0.000 0.930 71 S CB 2.259 65.460 63.200 0.001 0.000 1.070 71 S HN 0.065 nan 8.310 nan 0.000 0.480 72 V N 2.510 122.415 119.914 -0.015 0.000 2.540 72 V HA 0.553 4.673 4.120 -0.000 0.000 0.302 72 V C -0.749 175.312 176.094 -0.056 0.000 1.035 72 V CA -0.658 61.614 62.300 -0.047 0.000 0.873 72 V CB 1.460 33.249 31.823 -0.057 0.000 0.992 72 V HN 0.928 nan 8.190 nan 0.000 0.428 73 I N 5.203 125.739 120.570 -0.055 0.000 2.418 73 I HA 0.432 4.602 4.170 -0.000 0.000 0.287 73 I C -0.542 175.560 176.117 -0.025 0.000 1.008 73 I CA -0.498 60.775 61.300 -0.045 0.000 1.104 73 I CB 1.795 39.770 38.000 -0.041 0.000 1.264 73 I HN 0.369 nan 8.210 nan 0.000 0.438 74 I N 6.973 127.536 120.570 -0.013 0.000 2.308 74 I HA 0.157 4.327 4.170 -0.000 0.000 0.293 74 I C 1.249 177.384 176.117 0.030 0.000 1.078 74 I CA -0.374 60.955 61.300 0.048 0.000 1.292 74 I CB 0.835 38.887 38.000 0.088 0.000 1.423 74 I HN 0.627 nan 8.210 nan 0.000 0.493 75 K N 4.523 124.932 120.400 0.015 0.000 2.148 75 K HA -0.018 4.302 4.320 -0.000 0.000 0.204 75 K C 0.570 177.169 176.600 -0.002 0.000 1.050 75 K CA 0.815 57.091 56.287 -0.018 0.000 0.942 75 K CB -0.012 32.450 32.500 -0.063 0.000 0.724 75 K HN 0.883 nan 8.250 nan 0.000 0.446 76 C N -2.195 117.121 119.300 0.027 0.000 3.253 76 C HA 0.594 5.053 4.460 -0.000 0.000 0.342 76 C C -1.104 173.921 174.990 0.058 0.000 1.306 76 C CA -1.642 57.396 59.018 0.034 0.000 1.207 76 C CB 0.546 28.285 27.740 -0.003 0.000 1.479 76 C HN 0.115 nan 8.230 nan 0.000 0.469 77 I N 1.585 122.186 120.570 0.053 0.000 2.465 77 I HA 0.677 4.847 4.170 -0.000 0.000 0.291 77 I C 0.618 176.736 176.117 0.002 0.000 1.014 77 I CA -0.223 61.098 61.300 0.034 0.000 1.093 77 I CB 2.061 40.084 38.000 0.038 0.000 1.267 77 I HN 1.086 nan 8.210 nan 0.000 0.431 78 G N 6.440 115.227 108.800 -0.021 0.000 2.420 78 G HA2 0.810 4.769 3.960 -0.000 0.000 0.331 78 G HA3 0.810 4.769 3.960 -0.000 0.000 0.331 78 G C -0.917 173.935 174.900 -0.081 0.000 1.168 78 G CA -0.470 44.593 45.100 -0.062 0.000 0.936 78 G HN 0.462 nan 8.290 nan 0.000 0.479 79 I N 0.748 121.238 120.570 -0.133 0.000 2.465 79 I HA 0.496 4.666 4.170 -0.000 0.000 0.291 79 I C -0.124 175.921 176.117 -0.120 0.000 1.014 79 I CA -0.570 60.655 61.300 -0.124 0.000 1.093 79 I CB 2.660 40.563 38.000 -0.161 0.000 1.267 79 I HN 0.465 nan 8.210 nan 0.000 0.431 80 T N 5.504 120.015 114.554 -0.072 0.000 2.903 80 T HA 0.575 4.925 4.350 -0.000 0.000 0.299 80 T C -1.677 173.005 174.700 -0.031 0.000 1.093 80 T CA -0.673 61.390 62.100 -0.062 0.000 1.002 80 T CB 1.474 70.307 68.868 -0.058 0.000 1.127 80 T HN 0.848 nan 8.240 nan 0.000 0.488 81 N N 1.974 120.654 118.700 -0.034 0.000 2.504 81 N HA 0.194 4.934 4.740 -0.000 0.000 0.268 81 N C -1.224 174.271 175.510 -0.026 0.000 1.184 81 N CA -0.861 52.186 53.050 -0.004 0.000 0.875 81 N CB 1.450 39.943 38.487 0.009 0.000 1.630 81 N HN 0.816 nan 8.380 nan 0.000 0.486 82 Q N 0.974 120.796 119.800 0.036 0.000 2.304 82 Q HA 0.112 4.452 4.340 -0.000 0.000 0.315 82 Q C -0.428 175.555 176.000 -0.028 0.000 1.075 82 Q CA 0.283 56.101 55.803 0.026 0.000 0.988 82 Q CB 0.676 29.573 28.738 0.265 0.000 1.146 82 Q HN 0.415 nan 8.270 nan 0.000 0.383 83 R N 1.926 122.304 120.500 -0.204 0.000 2.541 83 R HA 0.154 4.494 4.340 -0.000 0.000 0.263 83 R C 0.088 176.301 176.300 -0.145 0.000 1.112 83 R CA -0.354 55.614 56.100 -0.220 0.000 1.170 83 R CB 0.470 30.553 30.300 -0.362 0.000 1.167 83 R HN 0.906 nan 8.270 nan 0.000 0.582 84 E N -1.510 118.570 120.200 -0.200 0.000 5.171 84 E HA -0.237 4.113 4.350 -0.000 0.000 0.184 84 E C -0.412 176.191 176.600 0.005 0.000 1.101 84 E CA 2.202 58.504 56.400 -0.163 0.000 2.026 84 E CB -1.445 28.136 29.700 -0.200 0.000 1.810 84 E HN 0.665 nan 8.360 nan 0.000 0.414 85 T N 1.217 115.840 114.554 0.115 0.000 2.905 85 T HA 0.262 4.612 4.350 -0.000 0.000 0.299 85 T C 0.018 174.748 174.700 0.050 0.000 1.024 85 T CA 0.695 62.861 62.100 0.109 0.000 1.151 85 T CB 0.884 69.866 68.868 0.190 0.000 0.987 85 T HN 0.169 nan 8.240 nan 0.000 0.535 86 V N 5.031 124.956 119.914 0.017 0.000 2.789 86 V HA 0.725 4.845 4.120 -0.000 0.000 0.311 86 V C -1.022 175.071 176.094 -0.002 0.000 1.073 86 V CA -0.896 61.408 62.300 0.008 0.000 0.921 86 V CB 1.684 33.491 31.823 -0.027 0.000 1.009 86 V HN 0.812 nan 8.190 nan 0.000 0.426 87 I N 6.437 127.027 120.570 0.033 0.000 2.582 87 I HA 0.538 4.708 4.170 -0.000 0.000 0.292 87 I C -0.784 175.423 176.117 0.150 0.000 1.066 87 I CA -0.520 60.791 61.300 0.020 0.000 1.053 87 I CB 2.187 40.043 38.000 -0.240 0.000 1.241 87 I HN 0.396 nan 8.210 nan 0.000 0.421 88 I N 4.761 125.384 120.570 0.089 0.000 2.404 88 I HA 0.460 4.630 4.170 -0.000 0.000 0.293 88 I C -1.095 175.113 176.117 0.152 0.000 0.992 88 I CA -0.467 60.831 61.300 -0.004 0.000 1.149 88 I CB 1.281 39.244 38.000 -0.061 0.000 1.315 88 I HN 0.666 nan 8.210 nan 0.000 0.446 89 W N 4.133 125.363 121.300 -0.116 0.000 3.029 89 W HA 0.560 5.220 4.660 -0.000 0.000 0.339 89 W C -1.189 175.298 176.519 -0.053 0.000 1.198 89 W CA -1.105 56.195 57.345 -0.075 0.000 1.148 89 W CB 0.357 29.788 29.460 -0.048 0.000 1.451 89 W HN 0.334 nan 8.180 nan 0.000 0.564 90 D N 1.350 121.909 120.400 0.264 0.000 2.425 90 D HA 0.085 4.725 4.640 -0.000 0.000 0.247 90 D C 1.385 177.832 176.300 0.245 0.000 1.147 90 D CA 0.180 54.285 54.000 0.174 0.000 0.879 90 D CB 1.240 42.149 40.800 0.182 0.000 1.179 90 D HN 0.558 nan 8.370 nan 0.000 0.456 91 R N 3.099 123.676 120.500 0.129 0.000 2.115 91 R HA -0.041 4.299 4.340 -0.000 0.000 0.230 91 R C 1.680 178.202 176.300 0.369 0.000 1.111 91 R CA 0.960 57.193 56.100 0.221 0.000 0.976 91 R CB 0.006 30.361 30.300 0.092 0.000 0.870 91 R HN 0.627 nan 8.270 nan 0.000 0.445 92 I N -0.505 120.213 120.570 0.248 0.000 2.235 92 I HA -0.186 3.984 4.170 -0.000 0.000 0.241 92 I C 2.325 178.586 176.117 0.241 0.000 1.085 92 I CA 1.569 62.995 61.300 0.211 0.000 1.378 92 I CB -0.236 37.842 38.000 0.129 0.000 1.076 92 I HN 0.287 nan 8.210 nan 0.000 0.415 93 T N -2.202 112.498 114.554 0.244 0.000 3.054 93 T HA 0.185 4.535 4.350 -0.000 0.000 0.259 93 T C 1.669 176.547 174.700 0.298 0.000 1.092 93 T CA 0.629 62.862 62.100 0.222 0.000 1.121 93 T CB 0.284 69.257 68.868 0.174 0.000 0.912 93 T HN 0.520 nan 8.240 nan 0.000 0.489 94 G N 1.556 110.617 108.800 0.435 0.000 2.162 94 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.260 94 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.260 94 G C -0.031 175.091 174.900 0.369 0.000 0.976 94 G CA 0.326 45.721 45.100 0.491 0.000 0.655 94 G HN 0.854 nan 8.290 nan 0.000 0.533 95 K N 1.291 121.879 120.400 0.312 0.000 2.339 95 K HA 0.419 4.739 4.320 -0.000 0.000 0.286 95 K C -2.215 174.533 176.600 0.246 0.000 1.050 95 K CA -1.713 54.720 56.287 0.244 0.000 0.956 95 K CB 0.749 33.355 32.500 0.176 0.000 0.990 95 K HN 0.038 nan 8.250 nan 0.000 0.475 96 P HA -0.012 nan 4.420 nan 0.000 0.271 96 P C 0.082 177.441 177.300 0.099 0.000 1.216 96 P CA 0.079 63.221 63.100 0.071 0.000 0.771 96 P CB 0.587 32.211 31.700 -0.127 0.000 0.864 97 L N 1.566 122.863 121.223 0.125 0.000 2.492 97 L HA 0.127 4.466 4.340 -0.000 0.000 0.223 97 L C 0.379 177.377 176.870 0.214 0.000 1.132 97 L CA 0.855 55.777 54.840 0.137 0.000 0.850 97 L CB -0.308 41.816 42.059 0.108 0.000 0.966 97 L HN 0.448 nan 8.230 nan 0.000 0.454 98 Y N -1.182 119.124 120.300 0.010 0.000 2.732 98 Y HA 0.205 4.755 4.550 -0.000 0.000 0.342 98 Y C -0.405 175.474 175.900 -0.034 0.000 1.203 98 Y CA -1.439 56.668 58.100 0.013 0.000 1.092 98 Y CB 0.873 39.355 38.460 0.036 0.000 1.345 98 Y HN -0.106 nan 8.280 nan 0.000 0.458 99 N N 1.315 119.754 118.700 -0.434 0.000 2.307 99 N HA 0.390 5.130 4.740 -0.000 0.000 0.230 99 N C -0.682 174.812 175.510 -0.026 0.000 1.297 99 N CA 0.354 53.264 53.050 -0.232 0.000 0.884 99 N CB 0.428 38.728 38.487 -0.311 0.000 1.115 99 N HN 0.679 nan 8.380 nan 0.000 0.436 100 A N 1.448 124.223 122.820 -0.076 0.000 2.511 100 A HA 0.178 4.498 4.320 -0.000 0.000 0.242 100 A C 0.034 177.610 177.584 -0.014 0.000 1.069 100 A CA 0.140 52.147 52.037 -0.049 0.000 0.763 100 A CB -0.208 18.765 19.000 -0.047 0.000 1.001 100 A HN 0.534 nan 8.150 nan 0.000 0.498 101 I N 3.605 124.166 120.570 -0.014 0.000 2.312 101 I HA 0.210 4.380 4.170 -0.000 0.000 0.290 101 I C -0.109 175.958 176.117 -0.084 0.000 1.008 101 I CA -0.604 60.654 61.300 -0.070 0.000 1.226 101 I CB 1.292 39.215 38.000 -0.128 0.000 1.371 101 I HN 0.326 nan 8.210 nan 0.000 0.468 102 V N 6.202 126.027 119.914 -0.147 0.000 3.003 102 V HA -0.002 4.118 4.120 -0.000 0.000 0.305 102 V C 1.277 177.299 176.094 -0.120 0.000 1.078 102 V CA -0.365 61.798 62.300 -0.228 0.000 1.083 102 V CB 1.002 32.480 31.823 -0.574 0.000 1.039 102 V HN 0.949 nan 8.190 nan 0.000 0.481 103 W N 2.076 123.354 121.300 -0.037 0.000 2.331 103 W HA -0.178 4.482 4.660 0.000 0.000 0.291 103 W C 1.179 177.831 176.519 0.221 0.000 1.214 103 W CA 0.891 58.317 57.345 0.135 0.000 1.228 103 W CB -0.768 28.830 29.460 0.230 0.000 1.135 103 W HN 0.469 nan 8.180 nan 0.000 0.537 104 L N 1.057 121.918 121.223 -0.603 0.000 2.478 104 L HA 0.001 4.341 4.340 -0.000 0.000 0.223 104 L C 1.328 178.094 176.870 -0.174 0.000 1.140 104 L CA 0.640 55.124 54.840 -0.593 0.000 0.842 104 L CB -0.818 40.444 42.059 -1.327 0.000 0.953 104 L HN -0.147 nan 8.230 nan 0.000 0.452 105 D N 0.462 120.799 120.400 -0.105 0.000 2.414 105 D HA -0.034 4.605 4.640 -0.000 0.000 0.242 105 D C 0.564 176.886 176.300 0.035 0.000 1.129 105 D CA 0.550 54.543 54.000 -0.011 0.000 0.885 105 D CB 1.389 42.123 40.800 -0.110 0.000 1.198 105 D HN 0.066 nan 8.370 nan 0.000 0.437 106 T N 0.221 114.797 114.554 0.038 0.000 3.288 106 T HA 0.108 4.457 4.350 -0.000 0.000 0.293 106 T C 1.440 176.145 174.700 0.008 0.000 1.008 106 T CA -0.604 61.532 62.100 0.059 0.000 0.929 106 T CB -0.041 68.895 68.868 0.115 0.000 1.152 106 T HN 0.560 nan 8.240 nan 0.000 0.517 107 R N 1.421 121.850 120.500 -0.118 0.000 2.193 107 R HA -0.004 4.335 4.340 -0.000 0.000 0.229 107 R C 1.623 177.861 176.300 -0.103 0.000 1.110 107 R CA 1.576 57.584 56.100 -0.153 0.000 0.988 107 R CB -0.963 28.966 30.300 -0.618 0.000 0.871 107 R HN 0.468 nan 8.270 nan 0.000 0.458 108 V N -1.313 118.537 119.914 -0.106 0.000 3.620 108 V HA 0.052 4.172 4.120 -0.000 0.000 0.286 108 V C 1.859 177.930 176.094 -0.037 0.000 1.288 108 V CA 0.815 63.109 62.300 -0.010 0.000 1.178 108 V CB -0.090 31.743 31.823 0.015 0.000 0.986 108 V HN 0.378 nan 8.190 nan 0.000 0.431 109 E N 1.586 121.785 120.200 -0.002 0.000 2.065 109 E HA -0.366 3.983 4.350 -0.000 0.000 0.201 109 E C 2.105 178.707 176.600 0.002 0.000 1.016 109 E CA 2.310 58.711 56.400 0.002 0.000 0.818 109 E CB -0.165 29.565 29.700 0.050 0.000 0.749 109 E HN 0.856 nan 8.360 nan 0.000 0.453 110 E N 0.050 120.283 120.200 0.054 0.000 2.110 110 E HA -0.187 4.163 4.350 -0.000 0.000 0.193 110 E C 2.350 179.001 176.600 0.084 0.000 0.988 110 E CA 0.922 57.369 56.400 0.078 0.000 0.804 110 E CB -0.069 29.700 29.700 0.114 0.000 0.745 110 E HN 0.349 nan 8.360 nan 0.000 0.458 111 L N 0.171 121.441 121.223 0.078 0.000 2.046 111 L HA -0.179 4.161 4.340 -0.000 0.000 0.208 111 L C 2.519 179.367 176.870 -0.038 0.000 1.077 111 L CA 0.752 55.648 54.840 0.093 0.000 0.747 111 L CB -0.310 41.828 42.059 0.131 0.000 0.896 111 L HN 0.104 nan 8.230 nan 0.000 0.432 112 V N -0.603 119.080 119.914 -0.385 0.000 2.332 112 V HA -0.305 3.815 4.120 -0.000 0.000 0.248 112 V C 2.535 178.579 176.094 -0.083 0.000 1.055 112 V CA 2.362 64.305 62.300 -0.595 0.000 1.038 112 V CB -0.851 30.592 31.823 -0.633 0.000 0.651 112 V HN 0.496 nan 8.190 nan 0.000 0.450 113 T N -0.553 114.001 114.554 0.000 0.000 2.708 113 T HA -0.245 4.105 4.350 -0.000 0.000 0.266 113 T C 1.874 176.661 174.700 0.146 0.000 1.037 113 T CA 1.815 63.962 62.100 0.077 0.000 1.146 113 T CB -0.235 68.671 68.868 0.064 0.000 0.865 113 T HN 0.670 nan 8.240 nan 0.000 0.435 114 E N 0.012 120.326 120.200 0.190 0.000 2.038 114 E HA -0.168 4.182 4.350 -0.000 0.000 0.195 114 E C 1.788 178.582 176.600 0.324 0.000 1.000 114 E CA 1.266 57.812 56.400 0.244 0.000 0.803 114 E CB -0.193 29.699 29.700 0.319 0.000 0.750 114 E HN 0.437 nan 8.360 nan 0.000 0.448 115 F N 0.806 120.845 119.950 0.149 0.000 2.325 115 F HA -0.026 4.501 4.527 -0.000 0.000 0.299 115 F C 2.650 178.723 175.800 0.454 0.000 1.090 115 F CA 0.843 58.995 58.000 0.253 0.000 1.392 115 F CB -0.261 38.763 39.000 0.039 0.000 1.053 115 F HN -0.008 nan 8.300 nan 0.000 0.521 116 S N -0.360 115.659 115.700 0.533 0.000 2.453 116 S HA -0.043 4.427 4.470 -0.000 0.000 0.231 116 S C 2.285 177.037 174.600 0.252 0.000 1.005 116 S CA 0.800 59.278 58.200 0.464 0.000 0.949 116 S CB -0.360 63.020 63.200 0.301 0.000 0.774 116 S HN 0.335 nan 8.310 nan 0.000 0.510 117 A N 1.536 124.466 122.820 0.183 0.000 1.935 117 A HA 0.079 4.399 4.320 -0.000 0.000 0.214 117 A C 1.971 179.566 177.584 0.017 0.000 1.178 117 A CA 1.098 53.181 52.037 0.077 0.000 0.640 117 A CB -0.277 18.756 19.000 0.055 0.000 0.825 117 A HN 0.405 nan 8.150 nan 0.000 0.447 118 K N -2.139 118.243 120.400 -0.029 0.000 2.243 118 K HA 0.021 4.341 4.320 -0.000 0.000 0.201 118 K C -0.571 175.781 176.600 -0.413 0.000 1.051 118 K CA 0.445 56.562 56.287 -0.283 0.000 0.970 118 K CB -0.044 32.153 32.500 -0.505 0.000 0.755 118 K HN 0.470 nan 8.250 nan 0.000 0.465 119 Y N -0.154 120.194 120.300 0.081 0.000 2.549 119 Y HA 0.249 4.799 4.550 -0.000 0.000 0.339 119 Y C -0.363 175.565 175.900 0.047 0.000 1.053 119 Y CA -1.485 56.666 58.100 0.086 0.000 1.105 119 Y CB 1.097 39.693 38.460 0.227 0.000 1.258 119 Y HN -0.138 nan 8.280 nan 0.000 0.478 120 N N 1.774 120.579 118.700 0.175 0.000 2.439 120 N HA 0.092 4.832 4.740 -0.000 0.000 0.243 120 N C 0.390 175.916 175.510 0.026 0.000 1.088 120 N CA 0.106 53.197 53.050 0.068 0.000 0.940 120 N CB 0.181 38.692 38.487 0.040 0.000 1.180 120 N HN 0.543 nan 8.380 nan 0.000 0.505 121 N N 2.957 121.656 118.700 -0.002 0.000 2.149 121 N HA -0.159 4.581 4.740 -0.000 0.000 0.188 121 N C 0.574 176.168 175.510 0.140 0.000 1.019 121 N CA 0.948 53.979 53.050 -0.032 0.000 0.857 121 N CB -0.045 38.343 38.487 -0.166 0.000 0.997 121 N HN 0.549 nan 8.380 nan 0.000 0.426 122 N N 1.560 120.331 118.700 0.118 0.000 2.166 122 N HA -0.107 4.633 4.740 -0.000 0.000 0.186 122 N C 1.045 176.530 175.510 -0.042 0.000 1.019 122 N CA 0.865 53.969 53.050 0.091 0.000 0.856 122 N CB -0.384 38.122 38.487 0.030 0.000 0.993 122 N HN 0.248 nan 8.380 nan 0.000 0.426 123 D N 0.623 121.000 120.400 -0.039 0.000 2.144 123 D HA -0.076 4.564 4.640 -0.000 0.000 0.199 123 D C 1.919 178.168 176.300 -0.084 0.000 0.984 123 D CA 0.494 54.458 54.000 -0.060 0.000 0.834 123 D CB -0.082 40.705 40.800 -0.022 0.000 0.955 123 D HN 0.192 nan 8.370 nan 0.000 0.465 124 I N 0.799 121.297 120.570 -0.120 0.000 2.252 124 I HA -0.199 3.971 4.170 -0.000 0.000 0.245 124 I C 2.426 178.467 176.117 -0.128 0.000 1.102 124 I CA 0.956 62.152 61.300 -0.174 0.000 1.385 124 I CB -1.169 36.538 38.000 -0.489 0.000 1.064 124 I HN 0.123 nan 8.210 nan 0.000 0.414 125 Q N 1.431 121.132 119.800 -0.165 0.000 2.050 125 Q HA -0.257 4.083 4.340 -0.000 0.000 0.202 125 Q C 2.338 178.244 176.000 -0.156 0.000 0.980 125 Q CA 1.902 57.553 55.803 -0.252 0.000 0.840 125 Q CB -0.003 28.416 28.738 -0.531 0.000 0.898 125 Q HN 0.406 nan 8.270 nan 0.000 0.424 126 K N 0.219 120.460 120.400 -0.265 0.000 2.063 126 K HA -0.240 4.080 4.320 -0.000 0.000 0.208 126 K C 2.117 178.708 176.600 -0.014 0.000 1.048 126 K CA 1.676 57.750 56.287 -0.355 0.000 0.928 126 K CB -0.045 32.249 32.500 -0.343 0.000 0.713 126 K HN -0.080 nan 8.250 nan 0.000 0.442 127 K N 0.310 120.706 120.400 -0.007 0.000 2.025 127 K HA -0.084 4.236 4.320 -0.000 0.000 0.207 127 K C 1.831 178.487 176.600 0.094 0.000 1.049 127 K CA 2.282 58.598 56.287 0.048 0.000 0.933 127 K CB -0.376 32.145 32.500 0.034 0.000 0.714 127 K HN 0.386 nan 8.250 nan 0.000 0.438 128 T N -5.101 109.508 114.554 0.092 0.000 2.985 128 T HA 0.309 4.659 4.350 -0.000 0.000 0.254 128 T C 1.264 176.039 174.700 0.125 0.000 1.021 128 T CA 0.471 62.643 62.100 0.120 0.000 0.957 128 T CB 0.556 69.509 68.868 0.141 0.000 1.047 128 T HN 0.329 nan 8.240 nan 0.000 0.511 129 G N 0.301 109.169 108.800 0.114 0.000 2.176 129 G HA2 -0.153 3.807 3.960 -0.000 0.000 0.232 129 G HA3 -0.153 3.807 3.960 -0.000 0.000 0.232 129 G C 0.140 175.008 174.900 -0.053 0.000 0.986 129 G CA 0.267 45.415 45.100 0.081 0.000 0.643 129 G HN 1.003 nan 8.290 nan 0.000 0.522 130 T N -0.834 113.630 114.554 -0.151 0.000 2.900 130 T HA 0.605 4.955 4.350 -0.000 0.000 0.303 130 T C -0.550 173.945 174.700 -0.343 0.000 1.142 130 T CA -0.559 61.328 62.100 -0.355 0.000 1.007 130 T CB 1.022 69.548 68.868 -0.569 0.000 1.156 130 T HN 0.286 nan 8.240 nan 0.000 0.490 131 Y N 1.689 121.809 120.300 -0.300 0.000 2.330 131 Y HA 0.433 4.983 4.550 -0.000 0.000 0.341 131 Y C 0.847 176.646 175.900 -0.168 0.000 1.278 131 Y CA -0.772 57.169 58.100 -0.265 0.000 1.453 131 Y CB 0.119 38.433 38.460 -0.243 0.000 1.342 131 Y HN 0.473 nan 8.280 nan 0.000 0.590 132 F N 2.203 122.268 119.950 0.193 0.000 2.635 132 F HA 0.035 4.562 4.527 0.000 0.000 0.379 132 F C 0.458 176.243 175.800 -0.026 0.000 1.094 132 F CA -0.033 58.099 58.000 0.221 0.000 1.300 132 F CB -0.510 38.709 39.000 0.365 0.000 1.035 132 F HN 0.601 nan 8.300 nan 0.000 0.581 133 N N -2.021 116.746 118.700 0.112 0.000 3.020 133 N HA 0.257 4.997 4.740 -0.000 0.000 0.248 133 N C -0.065 175.441 175.510 -0.007 0.000 1.480 133 N CA -0.314 52.722 53.050 -0.022 0.000 0.874 133 N CB 0.552 38.921 38.487 -0.197 0.000 1.433 133 N HN 0.278 nan 8.380 nan 0.000 0.530 134 T N -4.359 110.251 114.554 0.094 0.000 3.148 134 T HA -0.027 4.323 4.350 -0.000 0.000 0.253 134 T C 0.759 175.623 174.700 0.274 0.000 1.134 134 T CA 0.671 62.846 62.100 0.125 0.000 1.051 134 T CB -0.497 68.470 68.868 0.166 0.000 0.959 134 T HN 0.510 nan 8.240 nan 0.000 0.525 135 Y N 0.905 121.299 120.300 0.157 0.000 2.314 135 Y HA 0.441 4.991 4.550 -0.000 0.000 0.294 135 Y C 0.428 176.555 175.900 0.378 0.000 1.139 135 Y CA -1.567 56.667 58.100 0.224 0.000 1.162 135 Y CB -0.227 38.239 38.460 0.010 0.000 1.121 135 Y HN 0.105 nan 8.280 nan 0.000 0.529 136 F N 0.916 120.828 119.950 -0.063 0.000 2.480 136 F HA 0.131 4.658 4.527 -0.000 0.000 0.319 136 F C 2.053 177.802 175.800 -0.086 0.000 1.230 136 F CA 0.222 58.120 58.000 -0.171 0.000 1.285 136 F CB 0.153 39.078 39.000 -0.125 0.000 1.208 136 F HN -0.115 nan 8.300 nan 0.000 0.579 137 S N 0.529 116.217 115.700 -0.019 0.000 2.406 137 S HA -0.091 4.379 4.470 -0.000 0.000 0.228 137 S C 2.131 176.632 174.600 -0.165 0.000 1.020 137 S CA 0.847 58.998 58.200 -0.082 0.000 0.965 137 S CB -0.388 62.742 63.200 -0.115 0.000 0.798 137 S HN 0.658 nan 8.310 nan 0.000 0.488 138 A N 1.049 123.674 122.820 -0.325 0.000 1.902 138 A HA -0.025 4.295 4.320 -0.000 0.000 0.217 138 A C 1.780 178.854 177.584 -0.850 0.000 1.181 138 A CA 1.252 52.780 52.037 -0.848 0.000 0.623 138 A CB -0.889 17.023 19.000 -1.813 0.000 0.818 138 A HN 0.479 nan 8.150 nan 0.000 0.443 139 F N 0.341 120.004 119.950 -0.479 0.000 2.293 139 F HA -0.103 4.424 4.527 -0.000 0.000 0.300 139 F C 2.264 177.997 175.800 -0.113 0.000 1.086 139 F CA 1.644 59.509 58.000 -0.224 0.000 1.375 139 F CB -0.081 38.837 39.000 -0.136 0.000 1.045 139 F HN 0.163 nan 8.300 nan 0.000 0.516 140 K N 0.330 120.744 120.400 0.024 0.000 2.057 140 K HA -0.104 4.216 4.320 -0.000 0.000 0.206 140 K C 1.977 178.575 176.600 -0.003 0.000 1.050 140 K CA 1.471 57.750 56.287 -0.013 0.000 0.935 140 K CB -0.343 32.122 32.500 -0.059 0.000 0.715 140 K HN 0.236 nan 8.250 nan 0.000 0.439 141 I N 1.083 121.602 120.570 -0.085 0.000 2.179 141 I HA -0.281 3.889 4.170 -0.000 0.000 0.242 141 I C 2.353 178.437 176.117 -0.055 0.000 1.088 141 I CA 0.790 62.032 61.300 -0.097 0.000 1.357 141 I CB -0.256 37.641 38.000 -0.171 0.000 1.051 141 I HN 0.099 nan 8.210 nan 0.000 0.409 142 L N 0.170 121.359 121.223 -0.058 0.000 2.042 142 L HA -0.231 4.109 4.340 -0.000 0.000 0.210 142 L C 2.220 179.103 176.870 0.021 0.000 1.076 142 L CA 1.823 56.657 54.840 -0.009 0.000 0.749 142 L CB -0.866 41.180 42.059 -0.022 0.000 0.893 142 L HN 0.357 nan 8.230 nan 0.000 0.432 143 W N -0.125 121.111 121.300 -0.106 0.000 2.335 143 W HA -0.233 4.427 4.660 -0.000 0.000 0.311 143 W C 2.286 178.704 176.519 -0.168 0.000 1.213 143 W CA 2.188 59.463 57.345 -0.116 0.000 1.274 143 W CB -0.213 29.162 29.460 -0.142 0.000 1.148 143 W HN 0.141 nan 8.180 nan 0.000 0.498 144 L N 0.104 121.396 121.223 0.114 0.000 1.989 144 L HA -0.285 4.055 4.340 -0.000 0.000 0.211 144 L C 2.453 179.202 176.870 -0.201 0.000 1.071 144 L CA 1.752 56.531 54.840 -0.102 0.000 0.749 144 L CB -1.019 40.993 42.059 -0.078 0.000 0.890 144 L HN 0.018 nan 8.230 nan 0.000 0.431 145 I N -0.663 119.827 120.570 -0.135 0.000 2.194 145 I HA -0.353 3.817 4.170 -0.000 0.000 0.246 145 I C 2.586 178.604 176.117 -0.165 0.000 1.093 145 I CA 1.512 62.739 61.300 -0.122 0.000 1.355 145 I CB -0.305 37.650 38.000 -0.076 0.000 1.046 145 I HN 0.384 nan 8.210 nan 0.000 0.413 146 Q N -0.044 119.624 119.800 -0.219 0.000 2.311 146 Q HA -0.062 4.278 4.340 -0.000 0.000 0.203 146 Q C 1.396 177.195 176.000 -0.335 0.000 0.954 146 Q CA 0.824 56.485 55.803 -0.237 0.000 0.885 146 Q CB 0.072 28.666 28.738 -0.239 0.000 0.963 146 Q HN 0.571 nan 8.270 nan 0.000 0.471 147 N N 0.198 118.588 118.700 -0.518 0.000 2.197 147 N HA 0.056 4.796 4.740 -0.000 0.000 0.201 147 N C -0.591 174.716 175.510 -0.339 0.000 1.148 147 N CA 0.206 52.916 53.050 -0.566 0.000 0.883 147 N CB 0.637 38.419 38.487 -1.175 0.000 1.012 147 N HN 0.104 nan 8.380 nan 0.000 0.507 148 N N 0.536 119.081 118.700 -0.257 0.000 2.617 148 N HA 0.248 4.988 4.740 -0.000 0.000 0.263 148 N C -2.208 173.248 175.510 -0.090 0.000 1.074 148 N CA -1.166 51.806 53.050 -0.130 0.000 0.841 148 N CB 2.234 40.659 38.487 -0.103 0.000 1.221 148 N HN -0.139 nan 8.380 nan 0.000 0.529 149 P HA -0.197 nan 4.420 nan 0.000 0.218 149 P C 1.131 178.413 177.300 -0.030 0.000 1.148 149 P CA 0.942 64.014 63.100 -0.048 0.000 0.822 149 P CB 0.532 32.212 31.700 -0.032 0.000 0.784 150 E N -0.239 119.952 120.200 -0.014 0.000 2.077 150 E HA -0.170 4.180 4.350 -0.000 0.000 0.193 150 E C 1.885 178.477 176.600 -0.013 0.000 0.989 150 E CA 0.969 57.368 56.400 -0.002 0.000 0.800 150 E CB -0.452 29.261 29.700 0.021 0.000 0.746 150 E HN 0.162 nan 8.360 nan 0.000 0.452 151 I N 0.818 121.374 120.570 -0.023 0.000 2.202 151 I HA -0.265 3.905 4.170 -0.000 0.000 0.242 151 I C 2.709 178.792 176.117 -0.056 0.000 1.091 151 I CA 1.171 62.447 61.300 -0.040 0.000 1.368 151 I CB -0.285 37.684 38.000 -0.052 0.000 1.058 151 I HN 0.110 nan 8.210 nan 0.000 0.410 152 K N 0.816 121.180 120.400 -0.061 0.000 2.044 152 K HA -0.305 4.015 4.320 -0.000 0.000 0.210 152 K C 2.261 178.833 176.600 -0.046 0.000 1.049 152 K CA 1.903 58.155 56.287 -0.058 0.000 0.927 152 K CB -0.212 32.253 32.500 -0.058 0.000 0.713 152 K HN 0.287 nan 8.250 nan 0.000 0.443 153 Q N 0.713 120.491 119.800 -0.036 0.000 2.050 153 Q HA -0.208 4.132 4.340 -0.000 0.000 0.202 153 Q C 1.700 177.681 176.000 -0.031 0.000 0.980 153 Q CA 1.887 57.673 55.803 -0.028 0.000 0.840 153 Q CB 0.046 28.774 28.738 -0.018 0.000 0.898 153 Q HN 0.317 nan 8.270 nan 0.000 0.424 154 K N 0.041 120.422 120.400 -0.033 0.000 2.148 154 K HA -0.059 4.261 4.320 -0.000 0.000 0.204 154 K C 2.149 178.711 176.600 -0.063 0.000 1.050 154 K CA 1.051 57.315 56.287 -0.039 0.000 0.942 154 K CB -0.028 32.454 32.500 -0.030 0.000 0.724 154 K HN 0.276 nan 8.250 nan 0.000 0.446 155 I N 1.568 122.093 120.570 -0.075 0.000 2.142 155 I HA -0.291 3.879 4.170 -0.000 0.000 0.240 155 I C 1.682 177.756 176.117 -0.072 0.000 1.078 155 I CA 1.311 62.556 61.300 -0.092 0.000 1.343 155 I CB -0.326 37.615 38.000 -0.099 0.000 1.046 155 I HN 0.115 nan 8.210 nan 0.000 0.405 156 D N 0.943 121.310 120.400 -0.054 0.000 2.123 156 D HA -0.211 4.429 4.640 -0.000 0.000 0.196 156 D C 1.593 177.872 176.300 -0.036 0.000 0.992 156 D CA 1.685 55.660 54.000 -0.041 0.000 0.833 156 D CB -0.491 40.290 40.800 -0.032 0.000 0.954 156 D HN 0.515 nan 8.370 nan 0.000 0.455 157 D N -0.964 119.416 120.400 -0.033 0.000 2.340 157 D HA 0.083 4.723 4.640 -0.000 0.000 0.220 157 D C 1.383 177.665 176.300 -0.029 0.000 1.039 157 D CA 0.880 54.865 54.000 -0.025 0.000 0.866 157 D CB -0.198 40.592 40.800 -0.017 0.000 0.913 157 D HN 0.219 nan 8.370 nan 0.000 0.523 158 G N 0.169 108.942 108.800 -0.046 0.000 2.147 158 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.244 158 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.244 158 G C 0.935 175.805 174.900 -0.049 0.000 1.005 158 G CA 0.962 46.030 45.100 -0.053 0.000 0.713 158 G HN 0.648 nan 8.290 nan 0.000 0.515 159 T N -3.239 111.288 114.554 -0.046 0.000 3.060 159 T HA 0.691 5.041 4.350 -0.000 0.000 0.249 159 T C 1.186 175.852 174.700 -0.057 0.000 1.079 159 T CA 1.350 63.432 62.100 -0.030 0.000 1.013 159 T CB 0.669 69.534 68.868 -0.004 0.000 0.975 159 T HN 1.584 nan 8.240 nan 0.000 0.518 160 A N 0.973 123.727 122.820 -0.110 0.000 2.269 160 A HA 0.762 5.081 4.320 -0.000 0.000 0.319 160 A C -0.478 176.903 177.584 -0.339 0.000 1.110 160 A CA -0.672 51.248 52.037 -0.195 0.000 0.847 160 A CB 1.236 20.130 19.000 -0.176 0.000 1.161 160 A HN 0.312 nan 8.150 nan 0.000 0.497 161 V N 1.346 120.880 119.914 -0.633 0.000 2.540 161 V HA 0.394 4.514 4.120 -0.000 0.000 0.302 161 V C -0.532 174.968 176.094 -0.988 0.000 1.035 161 V CA -0.173 61.585 62.300 -0.903 0.000 0.873 161 V CB 1.479 32.468 31.823 -1.390 0.000 0.992 161 V HN 0.685 nan 8.190 nan 0.000 0.428 162 I N 3.777 123.950 120.570 -0.662 0.000 2.339 162 I HA 0.743 4.913 4.170 -0.000 0.000 0.290 162 I C 0.609 176.494 176.117 -0.387 0.000 0.994 162 I CA -0.051 60.965 61.300 -0.473 0.000 1.191 162 I CB 1.629 39.426 38.000 -0.339 0.000 1.343 162 I HN 0.761 nan 8.210 nan 0.000 0.458 163 G N 4.247 112.933 108.800 -0.190 0.000 2.667 163 G HA2 0.424 4.384 3.960 -0.000 0.000 0.298 163 G HA3 0.424 4.384 3.960 -0.000 0.000 0.298 163 G C -1.182 173.857 174.900 0.232 0.000 1.377 163 G CA -0.686 44.494 45.100 0.133 0.000 0.964 163 G HN 0.612 nan 8.290 nan 0.000 0.493 164 N N 0.108 118.925 118.700 0.194 0.000 2.327 164 N HA 0.195 4.935 4.740 -0.000 0.000 0.257 164 N C 1.459 177.100 175.510 0.219 0.000 1.281 164 N CA -1.007 52.133 53.050 0.150 0.000 0.942 164 N CB 1.181 39.719 38.487 0.084 0.000 1.199 164 N HN 0.248 nan 8.380 nan 0.000 0.532 165 I N 1.125 121.791 120.570 0.160 0.000 2.226 165 I HA -0.258 3.912 4.170 -0.000 0.000 0.245 165 I C 2.082 178.317 176.117 0.197 0.000 1.100 165 I CA 1.231 62.648 61.300 0.194 0.000 1.374 165 I CB -1.282 36.803 38.000 0.142 0.000 1.057 165 I HN 0.667 nan 8.210 nan 0.000 0.413 166 N N 0.845 119.620 118.700 0.125 0.000 2.061 166 N HA -0.210 4.530 4.740 -0.000 0.000 0.193 166 N C 1.566 177.172 175.510 0.161 0.000 1.030 166 N CA 2.234 55.332 53.050 0.080 0.000 0.856 166 N CB -1.312 37.182 38.487 0.012 0.000 1.023 166 N HN 0.252 nan 8.380 nan 0.000 0.424 167 T N 0.383 115.099 114.554 0.270 0.000 2.720 167 T HA -0.149 4.201 4.350 -0.000 0.000 0.268 167 T C 1.372 176.356 174.700 0.472 0.000 1.037 167 T CA 1.135 63.477 62.100 0.404 0.000 1.144 167 T CB -0.490 68.651 68.868 0.454 0.000 0.864 167 T HN 0.467 nan 8.240 nan 0.000 0.444 168 W N 1.347 122.730 121.300 0.139 0.000 2.358 168 W HA -0.148 4.512 4.660 -0.000 0.000 0.303 168 W C 1.479 177.925 176.519 -0.120 0.000 1.208 168 W CA 0.486 57.685 57.345 -0.244 0.000 1.274 168 W CB -0.285 28.975 29.460 -0.334 0.000 1.138 168 W HN 0.157 nan 8.180 nan 0.000 0.515 169 L N 0.992 122.159 121.223 -0.093 0.000 2.046 169 L HA -0.196 4.144 4.340 -0.000 0.000 0.208 169 L C 2.441 179.239 176.870 -0.121 0.000 1.077 169 L CA 1.681 56.389 54.840 -0.220 0.000 0.747 169 L CB -1.560 40.433 42.059 -0.110 0.000 0.896 169 L HN -0.018 nan 8.230 nan 0.000 0.432 170 I N -1.886 118.701 120.570 0.028 0.000 2.252 170 I HA -0.320 3.850 4.170 -0.000 0.000 0.245 170 I C 2.430 178.615 176.117 0.113 0.000 1.102 170 I CA 1.013 62.372 61.300 0.097 0.000 1.385 170 I CB -0.319 37.809 38.000 0.213 0.000 1.064 170 I HN 0.145 nan 8.210 nan 0.000 0.414 171 F N 2.213 122.168 119.950 0.009 0.000 2.065 171 F HA -0.320 4.207 4.527 -0.000 0.000 0.298 171 F C 2.128 177.850 175.800 -0.130 0.000 1.112 171 F CA 2.286 60.291 58.000 0.009 0.000 1.212 171 F CB -0.399 38.704 39.000 0.173 0.000 0.975 171 F HN 0.071 nan 8.300 nan 0.000 0.476 172 N N 0.215 118.838 118.700 -0.129 0.000 2.142 172 N HA -0.130 4.610 4.740 -0.000 0.000 0.186 172 N C 1.848 177.304 175.510 -0.090 0.000 1.023 172 N CA 1.543 54.464 53.050 -0.215 0.000 0.852 172 N CB -0.309 37.916 38.487 -0.437 0.000 0.998 172 N HN 0.280 nan 8.380 nan 0.000 0.424 173 L N -0.028 121.160 121.223 -0.057 0.000 2.083 173 L HA -0.118 4.222 4.340 -0.000 0.000 0.209 173 L C 2.202 179.059 176.870 -0.021 0.000 1.083 173 L CA 1.280 56.127 54.840 0.011 0.000 0.752 173 L CB -0.672 41.390 42.059 0.005 0.000 0.899 173 L HN 0.419 nan 8.230 nan 0.000 0.433 174 T N -4.245 110.279 114.554 -0.050 0.000 3.129 174 T HA 0.039 4.389 4.350 -0.000 0.000 0.251 174 T C 0.738 175.355 174.700 -0.137 0.000 1.117 174 T CA -0.307 61.761 62.100 -0.053 0.000 1.034 174 T CB -0.117 68.754 68.868 0.004 0.000 0.968 174 T HN 0.244 nan 8.240 nan 0.000 0.526 175 K N 0.695 120.963 120.400 -0.220 0.000 3.150 175 K HA -0.158 4.161 4.320 -0.000 0.000 0.267 175 K C 0.856 177.198 176.600 -0.429 0.000 1.028 175 K CA 0.307 56.415 56.287 -0.298 0.000 0.753 175 K CB -1.958 30.440 32.500 -0.171 0.000 1.288 175 K HN 0.814 nan 8.250 nan 0.000 0.473 176 G N -0.822 107.534 108.800 -0.740 0.000 2.485 176 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.181 176 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.181 176 G C -0.292 174.416 174.900 -0.319 0.000 0.999 176 G CA -0.409 44.233 45.100 -0.763 0.000 0.721 176 G HN 0.251 nan 8.290 nan 0.000 0.486 177 N N 0.405 118.991 118.700 -0.191 0.000 2.454 177 N HA 0.364 5.103 4.740 -0.000 0.000 0.260 177 N C -0.079 175.440 175.510 0.015 0.000 1.218 177 N CA 0.404 53.367 53.050 -0.145 0.000 0.904 177 N CB 0.966 39.386 38.487 -0.111 0.000 1.065 177 N HN 0.252 nan 8.380 nan 0.000 0.462 178 C N 3.836 123.054 119.300 -0.136 0.000 2.242 178 C HA 0.406 4.866 4.460 -0.000 0.000 0.317 178 C C -0.697 174.268 174.990 -0.042 0.000 1.087 178 C CA -0.683 58.373 59.018 0.063 0.000 1.535 178 C CB -1.934 25.874 27.740 0.114 0.000 1.893 178 C HN 0.500 nan 8.230 nan 0.000 0.426 179 Y N 0.397 120.888 120.300 0.317 0.000 2.512 179 Y HA 0.731 5.281 4.550 -0.000 0.000 0.348 179 Y C 0.506 176.599 175.900 0.322 0.000 0.990 179 Y CA -0.531 57.761 58.100 0.321 0.000 1.033 179 Y CB 1.925 40.638 38.460 0.422 0.000 1.259 179 Y HN 0.433 nan 8.280 nan 0.000 0.461 180 T N 1.124 115.980 114.554 0.503 0.000 2.831 180 T HA 0.449 4.798 4.350 -0.000 0.000 0.287 180 T C -1.594 173.288 174.700 0.304 0.000 1.070 180 T CA -0.758 61.552 62.100 0.350 0.000 1.010 180 T CB 1.133 70.192 68.868 0.319 0.000 1.264 180 T HN 0.771 nan 8.240 nan 0.000 0.532 181 D N 0.652 121.155 120.400 0.172 0.000 2.374 181 D HA 0.281 4.921 4.640 -0.000 0.000 0.239 181 D C 1.810 178.118 176.300 0.014 0.000 0.991 181 D CA -0.468 53.609 54.000 0.129 0.000 0.960 181 D CB 1.589 42.452 40.800 0.104 0.000 1.284 181 D HN 0.448 nan 8.370 nan 0.000 0.512 182 V N -0.761 119.141 119.914 -0.020 0.000 2.380 182 V HA -0.293 3.827 4.120 -0.000 0.000 0.251 182 V C 2.342 178.379 176.094 -0.095 0.000 1.063 182 V CA 2.783 65.029 62.300 -0.090 0.000 1.055 182 V CB -1.979 29.789 31.823 -0.092 0.000 0.657 182 V HN 0.837 nan 8.190 nan 0.000 0.455 183 T N -2.043 112.474 114.554 -0.062 0.000 2.812 183 T HA -0.149 4.201 4.350 -0.000 0.000 0.264 183 T C 1.896 176.533 174.700 -0.105 0.000 1.042 183 T CA 1.575 63.629 62.100 -0.076 0.000 1.140 183 T CB -0.755 68.085 68.868 -0.048 0.000 0.870 183 T HN 0.510 nan 8.240 nan 0.000 0.445 184 N N 1.769 120.421 118.700 -0.080 0.000 2.216 184 N HA 0.092 4.832 4.740 -0.000 0.000 0.183 184 N C 2.274 177.738 175.510 -0.078 0.000 1.017 184 N CA 1.271 54.269 53.050 -0.087 0.000 0.861 184 N CB -0.443 38.029 38.487 -0.026 0.000 0.986 184 N HN 0.610 nan 8.380 nan 0.000 0.428 185 A N 0.992 123.774 122.820 -0.064 0.000 1.972 185 A HA -0.132 4.188 4.320 -0.000 0.000 0.219 185 A C 2.310 179.836 177.584 -0.097 0.000 1.169 185 A CA 1.883 53.864 52.037 -0.092 0.000 0.635 185 A CB -0.634 18.114 19.000 -0.419 0.000 0.810 185 A HN 0.442 nan 8.150 nan 0.000 0.446 186 S N -0.841 114.783 115.700 -0.126 0.000 2.507 186 S HA -0.051 4.419 4.470 -0.000 0.000 0.235 186 S C 1.401 175.894 174.600 -0.178 0.000 0.988 186 S CA 0.616 58.768 58.200 -0.080 0.000 0.944 186 S CB -0.196 62.973 63.200 -0.052 0.000 0.762 186 S HN 0.474 nan 8.310 nan 0.000 0.526 187 R N 1.526 121.776 120.500 -0.416 0.000 2.359 187 R HA 0.192 4.532 4.340 -0.000 0.000 0.231 187 R C 1.799 177.548 176.300 -0.918 0.000 0.913 187 R CA 0.934 56.382 56.100 -1.088 0.000 1.075 187 R CB -1.192 28.601 30.300 -0.846 0.000 1.087 187 R HN 0.781 nan 8.270 nan 0.000 0.515 188 T N -2.695 111.689 114.554 -0.283 0.000 3.044 188 T HA 0.138 4.488 4.350 -0.000 0.000 0.255 188 T C 1.253 175.985 174.700 0.053 0.000 1.073 188 T CA -0.017 62.044 62.100 -0.066 0.000 1.125 188 T CB 0.140 69.077 68.868 0.116 0.000 0.908 188 T HN 0.209 nan 8.240 nan 0.000 0.480 189 L N -0.693 120.680 121.223 0.250 0.000 4.560 189 L HA -0.143 4.197 4.340 -0.000 0.000 0.415 189 L C 0.661 177.667 176.870 0.228 0.000 1.123 189 L CA 0.372 55.381 54.840 0.282 0.000 0.991 189 L CB -1.124 41.069 42.059 0.223 0.000 2.127 189 L HN 0.400 nan 8.230 nan 0.000 0.765 190 L N -1.650 119.717 121.223 0.240 0.000 2.817 190 L HA 0.285 4.625 4.340 -0.000 0.000 0.248 190 L C 0.753 177.862 176.870 0.398 0.000 1.133 190 L CA -0.039 54.986 54.840 0.308 0.000 0.935 190 L CB 0.510 42.727 42.059 0.262 0.000 1.266 190 L HN 0.239 nan 8.230 nan 0.000 0.535 191 M N 0.846 120.619 119.600 0.288 0.000 2.363 191 M HA 0.231 4.711 4.480 -0.000 0.000 0.343 191 M C -0.733 175.626 176.300 0.098 0.000 1.165 191 M CA -0.433 54.940 55.300 0.122 0.000 1.046 191 M CB 1.457 33.999 32.600 -0.097 0.000 1.648 191 M HN -0.125 nan 8.290 nan 0.000 0.452 192 D N 4.037 124.477 120.400 0.065 0.000 2.346 192 D HA 0.010 4.650 4.640 -0.000 0.000 0.260 192 D C 0.777 177.109 176.300 0.054 0.000 1.252 192 D CA 0.051 54.089 54.000 0.064 0.000 0.895 192 D CB 0.681 41.513 40.800 0.054 0.000 1.097 192 D HN 0.648 nan 8.370 nan 0.000 0.489 193 I N 4.805 125.427 120.570 0.087 0.000 2.567 193 I HA -0.206 3.964 4.170 -0.000 0.000 0.257 193 I C 1.633 177.843 176.117 0.156 0.000 1.184 193 I CA 1.050 62.422 61.300 0.119 0.000 1.451 193 I CB -0.108 37.962 38.000 0.117 0.000 1.089 193 I HN 0.401 nan 8.210 nan 0.000 0.441 194 N N -0.691 118.063 118.700 0.090 0.000 2.305 194 N HA -0.048 4.692 4.740 -0.000 0.000 0.179 194 N C 1.774 177.329 175.510 0.075 0.000 1.019 194 N CA 1.766 54.862 53.050 0.076 0.000 0.869 194 N CB -0.133 38.376 38.487 0.036 0.000 1.000 194 N HN 0.493 nan 8.380 nan 0.000 0.431 195 T N -1.131 113.450 114.554 0.045 0.000 3.057 195 T HA 0.210 4.560 4.350 -0.000 0.000 0.254 195 T C 1.040 175.733 174.700 -0.012 0.000 1.094 195 T CA -0.024 62.088 62.100 0.020 0.000 1.088 195 T CB 0.040 68.918 68.868 0.017 0.000 0.934 195 T HN 0.200 nan 8.240 nan 0.000 0.497 196 L N 0.026 121.233 121.223 -0.026 0.000 3.865 196 L HA -0.148 4.192 4.340 -0.000 0.000 0.408 196 L C -0.669 176.090 176.870 -0.184 0.000 1.209 196 L CA 0.105 54.886 54.840 -0.099 0.000 0.940 196 L CB -2.058 39.944 42.059 -0.093 0.000 1.971 196 L HN 0.439 nan 8.230 nan 0.000 0.899 197 Q N -0.956 118.752 119.800 -0.153 0.000 2.387 197 Q HA 0.389 4.729 4.340 -0.000 0.000 0.273 197 Q C -0.420 175.497 176.000 -0.138 0.000 1.089 197 Q CA -0.631 55.063 55.803 -0.180 0.000 0.824 197 Q CB 1.146 29.862 28.738 -0.037 0.000 1.367 197 Q HN 0.189 nan 8.270 nan 0.000 0.443 198 W N 1.135 122.456 121.300 0.036 0.000 2.257 198 W HA 0.043 4.704 4.660 0.000 0.000 0.337 198 W C 0.458 176.999 176.519 0.037 0.000 1.321 198 W CA 0.028 57.394 57.345 0.034 0.000 1.267 198 W CB 0.360 29.836 29.460 0.026 0.000 1.187 198 W HN 0.458 nan 8.180 nan 0.000 0.565 199 D N 2.230 122.814 120.400 0.306 0.000 2.280 199 D HA 0.024 4.664 4.640 -0.000 0.000 0.236 199 D C 0.938 177.332 176.300 0.158 0.000 1.082 199 D CA -0.254 53.855 54.000 0.183 0.000 0.834 199 D CB 1.198 42.089 40.800 0.153 0.000 1.100 199 D HN 0.531 nan 8.370 nan 0.000 0.486 200 E N 3.069 123.338 120.200 0.116 0.000 2.072 200 E HA -0.202 4.147 4.350 -0.000 0.000 0.191 200 E C 1.146 177.785 176.600 0.065 0.000 0.985 200 E CA 1.038 57.488 56.400 0.083 0.000 0.801 200 E CB 0.282 30.020 29.700 0.064 0.000 0.750 200 E HN 0.425 nan 8.360 nan 0.000 0.452 201 K N -0.240 120.196 120.400 0.060 0.000 2.097 201 K HA -0.145 4.175 4.320 -0.000 0.000 0.206 201 K C 2.178 178.795 176.600 0.028 0.000 1.049 201 K CA 1.431 57.740 56.287 0.038 0.000 0.933 201 K CB -0.080 32.440 32.500 0.034 0.000 0.717 201 K HN 0.242 nan 8.250 nan 0.000 0.442 202 M N 0.410 120.058 119.600 0.080 0.000 2.117 202 M HA -0.164 4.316 4.480 -0.000 0.000 0.262 202 M C 2.456 178.856 176.300 0.167 0.000 1.065 202 M CA 1.320 56.701 55.300 0.135 0.000 1.114 202 M CB -1.263 31.482 32.600 0.241 0.000 1.361 202 M HN 0.214 nan 8.290 nan 0.000 0.408 203 C N 0.198 119.579 119.300 0.135 0.000 2.425 203 C HA -0.150 4.310 4.460 -0.000 0.000 0.277 203 C C 2.837 177.861 174.990 0.056 0.000 1.280 203 C CA 0.890 59.968 59.018 0.100 0.000 1.744 203 C CB -0.916 26.847 27.740 0.040 0.000 1.989 203 C HN 0.558 nan 8.230 nan 0.000 0.491 204 K N 0.907 121.321 120.400 0.024 0.000 2.032 204 K HA -0.114 4.206 4.320 -0.000 0.000 0.209 204 K C 1.737 178.311 176.600 -0.043 0.000 1.048 204 K CA 1.537 57.824 56.287 -0.002 0.000 0.927 204 K CB -0.275 32.227 32.500 0.003 0.000 0.712 204 K HN 0.444 nan 8.250 nan 0.000 0.441 205 I N -0.009 120.475 120.570 -0.143 0.000 2.208 205 I HA -0.252 3.918 4.170 -0.000 0.000 0.245 205 I C 1.193 177.095 176.117 -0.358 0.000 1.097 205 I CA 1.209 62.301 61.300 -0.347 0.000 1.363 205 I CB -0.123 37.450 38.000 -0.711 0.000 1.051 205 I HN 0.115 nan 8.210 nan 0.000 0.413 206 F N 1.056 120.982 119.950 -0.040 0.000 2.692 206 F HA 0.136 4.663 4.527 -0.000 0.000 0.303 206 F C 0.644 176.395 175.800 -0.082 0.000 1.114 206 F CA -0.160 57.763 58.000 -0.129 0.000 1.361 206 F CB -0.814 38.049 39.000 -0.227 0.000 1.063 206 F HN 0.071 nan 8.300 nan 0.000 0.550 207 N N 0.168 118.906 118.700 0.064 0.000 2.776 207 N HA -0.229 4.511 4.740 -0.000 0.000 0.250 207 N C -0.526 174.989 175.510 0.008 0.000 1.112 207 N CA 0.571 53.640 53.050 0.033 0.000 0.733 207 N CB -2.014 36.493 38.487 0.034 0.000 1.097 207 N HN 0.286 nan 8.380 nan 0.000 0.558 208 I N 0.939 121.514 120.570 0.009 0.000 2.276 208 I HA 0.101 4.271 4.170 -0.000 0.000 0.290 208 I C 1.632 177.728 176.117 -0.035 0.000 1.109 208 I CA -0.153 61.125 61.300 -0.036 0.000 1.229 208 I CB 0.543 38.504 38.000 -0.065 0.000 1.452 208 I HN 0.175 nan 8.210 nan 0.000 0.497 209 T N 0.544 115.076 114.554 -0.037 0.000 3.088 209 T HA 0.024 4.374 4.350 -0.000 0.000 0.259 209 T C 0.763 175.442 174.700 -0.035 0.000 1.122 209 T CA 0.216 62.300 62.100 -0.028 0.000 1.095 209 T CB -0.145 68.708 68.868 -0.024 0.000 0.930 209 T HN 0.425 nan 8.240 nan 0.000 0.508 210 N N 0.239 118.906 118.700 -0.054 0.000 2.558 210 N HA 0.354 5.094 4.740 -0.000 0.000 0.285 210 N C 0.223 175.680 175.510 -0.089 0.000 1.112 210 N CA -0.464 52.551 53.050 -0.059 0.000 0.857 210 N CB 1.361 39.813 38.487 -0.058 0.000 1.376 210 N HN 0.128 nan 8.380 nan 0.000 0.526 211 M N 0.721 120.275 119.600 -0.076 0.000 2.557 211 M HA -0.073 4.407 4.480 -0.000 0.000 0.259 211 M C 1.742 177.966 176.300 -0.128 0.000 1.086 211 M CA 0.617 55.848 55.300 -0.114 0.000 1.096 211 M CB 0.010 32.578 32.600 -0.054 0.000 1.424 211 M HN 0.592 nan 8.290 nan 0.000 0.488 212 S N 0.385 116.035 115.700 -0.084 0.000 2.500 212 S HA -0.071 4.398 4.470 -0.000 0.000 0.239 212 S C 1.664 176.195 174.600 -0.116 0.000 0.989 212 S CA 0.973 59.130 58.200 -0.072 0.000 0.951 212 S CB -1.115 62.059 63.200 -0.042 0.000 0.759 212 S HN 0.503 nan 8.310 nan 0.000 0.523 213 V N -1.038 118.773 119.914 -0.171 0.000 3.217 213 V HA 0.353 4.473 4.120 -0.000 0.000 0.264 213 V C 0.705 176.616 176.094 -0.306 0.000 1.135 213 V CA 0.187 62.347 62.300 -0.233 0.000 1.142 213 V CB -1.053 30.625 31.823 -0.242 0.000 0.754 213 V HN 0.465 nan 8.190 nan 0.000 0.484 214 L N 2.374 123.389 121.223 -0.347 0.000 2.350 214 L HA 0.483 4.823 4.340 -0.000 0.000 0.275 214 L C -1.935 174.845 176.870 -0.151 0.000 1.099 214 L CA -1.910 52.640 54.840 -0.483 0.000 0.808 214 L CB 1.177 42.588 42.059 -1.080 0.000 1.149 214 L HN 0.101 nan 8.230 nan 0.000 0.442 215 P HA 0.075 nan 4.420 nan 0.000 0.276 215 P C -0.899 176.681 177.300 0.467 0.000 1.244 215 P CA -0.583 62.657 63.100 0.235 0.000 0.801 215 P CB 0.755 32.620 31.700 0.274 0.000 1.006 216 E N 1.310 121.737 120.200 0.380 0.000 2.376 216 E HA 0.127 4.477 4.350 -0.000 0.000 0.266 216 E C -0.361 176.455 176.600 0.360 0.000 1.009 216 E CA -0.355 56.274 56.400 0.382 0.000 0.902 216 E CB 0.086 30.011 29.700 0.375 0.000 0.972 216 E HN 0.309 nan 8.360 nan 0.000 0.439 217 I N 5.616 126.284 120.570 0.163 0.000 2.396 217 I HA 0.123 4.293 4.170 -0.000 0.000 0.289 217 I C 0.516 176.641 176.117 0.013 0.000 1.056 217 I CA -0.181 61.128 61.300 0.014 0.000 1.365 217 I CB 0.529 38.357 38.000 -0.287 0.000 1.407 217 I HN 0.309 nan 8.210 nan 0.000 0.509 218 K N 4.452 124.875 120.400 0.039 0.000 2.238 218 K HA 0.468 4.788 4.320 -0.000 0.000 0.239 218 K C -0.001 176.597 176.600 -0.003 0.000 0.987 218 K CA -0.633 55.619 56.287 -0.058 0.000 0.857 218 K CB 1.930 34.294 32.500 -0.227 0.000 1.154 218 K HN 0.686 nan 8.250 nan 0.000 0.439 219 S N -0.120 115.553 115.700 -0.045 0.000 2.596 219 S HA 0.049 4.519 4.470 -0.000 0.000 0.260 219 S C 0.875 175.543 174.600 0.113 0.000 1.336 219 S CA -0.132 58.080 58.200 0.020 0.000 0.993 219 S CB 0.311 63.513 63.200 0.002 0.000 0.923 219 S HN 0.565 nan 8.310 nan 0.000 0.567 220 N N -0.616 118.153 118.700 0.116 0.000 2.270 220 N HA 0.065 4.805 4.740 -0.000 0.000 0.181 220 N C -0.346 175.219 175.510 0.092 0.000 1.016 220 N CA 0.761 53.874 53.050 0.104 0.000 0.870 220 N CB -0.105 38.396 38.487 0.023 0.000 0.979 220 N HN 0.472 nan 8.380 nan 0.000 0.431 221 C N 0.425 119.735 119.300 0.018 0.000 2.239 221 C HA 0.701 5.161 4.460 -0.000 0.000 0.325 221 C C 0.298 175.267 174.990 -0.034 0.000 1.231 221 C CA -0.653 58.365 59.018 -0.000 0.000 1.652 221 C CB -0.309 27.394 27.740 -0.060 0.000 2.284 221 C HN 0.172 nan 8.230 nan 0.000 0.499 222 S N 1.594 117.246 115.700 -0.080 0.000 2.636 222 S HA 0.405 4.875 4.470 -0.000 0.000 0.268 222 S C -1.458 172.888 174.600 -0.422 0.000 1.159 222 S CA -0.491 57.458 58.200 -0.417 0.000 0.815 222 S CB 1.083 63.744 63.200 -0.897 0.000 1.130 222 S HN 0.733 nan 8.310 nan 0.000 0.471 223 N N 1.719 120.132 118.700 -0.479 0.000 2.558 223 N HA 0.326 5.066 4.740 -0.000 0.000 0.233 223 N C -0.363 174.863 175.510 -0.473 0.000 1.038 223 N CA -0.317 52.555 53.050 -0.297 0.000 0.934 223 N CB -0.411 37.971 38.487 -0.174 0.000 1.175 223 N HN 0.509 nan 8.380 nan 0.000 0.512 224 F N 1.794 121.672 119.950 -0.119 0.000 2.789 224 F HA 0.349 4.876 4.527 0.000 0.000 0.300 224 F C 1.754 177.673 175.800 0.199 0.000 1.132 224 F CA 0.715 58.678 58.000 -0.061 0.000 1.404 224 F CB -0.025 38.977 39.000 0.002 0.000 1.114 224 F HN 0.597 nan 8.300 nan 0.000 0.584 225 G N 0.137 109.076 108.800 0.233 0.000 2.371 225 G HA2 -0.002 3.958 3.960 -0.000 0.000 0.663 225 G HA3 -0.002 3.958 3.960 -0.000 0.000 0.663 225 G C -1.434 173.544 174.900 0.130 0.000 1.311 225 G CA -1.232 43.983 45.100 0.191 0.000 0.985 225 G HN 0.003 nan 8.290 nan 0.000 0.566 226 L N -0.044 121.234 121.223 0.091 0.000 2.334 226 L HA 0.604 4.944 4.340 -0.000 0.000 0.275 226 L C 0.919 177.825 176.870 0.060 0.000 1.036 226 L CA -1.284 53.597 54.840 0.069 0.000 0.807 226 L CB 1.726 43.813 42.059 0.047 0.000 1.231 226 L HN 0.474 nan 8.230 nan 0.000 0.438 227 V N 3.254 123.208 119.914 0.068 0.000 2.585 227 V HA 0.056 4.176 4.120 -0.000 0.000 0.296 227 V C 0.752 176.866 176.094 0.033 0.000 1.035 227 V CA 0.176 62.510 62.300 0.057 0.000 1.084 227 V CB 0.773 32.654 31.823 0.097 0.000 0.953 227 V HN 0.751 nan 8.190 nan 0.000 0.483 228 K N 1.561 121.961 120.400 -0.000 0.000 2.529 228 K HA 0.152 4.472 4.320 -0.000 0.000 0.215 228 K C 0.806 177.367 176.600 -0.065 0.000 1.286 228 K CA 0.020 56.289 56.287 -0.029 0.000 0.997 228 K CB 0.781 33.255 32.500 -0.044 0.000 1.063 228 K HN 0.570 nan 8.250 nan 0.000 0.590 229 S N 3.196 118.853 115.700 -0.073 0.000 2.544 229 S HA -0.039 4.431 4.470 -0.000 0.000 0.290 229 S C 1.356 175.826 174.600 -0.217 0.000 1.276 229 S CA -0.080 58.034 58.200 -0.142 0.000 1.075 229 S CB 0.618 63.746 63.200 -0.120 0.000 0.849 229 S HN 0.248 nan 8.310 nan 0.000 0.494 230 E N 4.800 124.809 120.200 -0.319 0.000 2.333 230 E HA -0.200 4.150 4.350 -0.000 0.000 0.198 230 E C 0.778 177.116 176.600 -0.436 0.000 1.007 230 E CA 1.246 57.434 56.400 -0.353 0.000 0.845 230 E CB -0.506 28.980 29.700 -0.358 0.000 0.766 230 E HN 0.863 nan 8.360 nan 0.000 0.507 231 H N 1.089 119.935 119.070 -0.374 0.000 2.495 231 H HA 0.052 4.608 4.556 -0.000 0.000 0.287 231 H C 1.079 176.175 175.328 -0.386 0.000 1.033 231 H CA 1.320 57.055 56.048 -0.522 0.000 1.307 231 H CB 0.508 29.531 29.762 -1.231 0.000 1.401 231 H HN 0.151 nan 8.280 nan 0.000 0.555 232 V N -0.398 119.403 119.914 -0.188 0.000 2.361 232 V HA 0.220 4.340 4.120 -0.000 0.000 0.252 232 V C -2.000 174.167 176.094 0.120 0.000 0.986 232 V CA -1.416 60.896 62.300 0.021 0.000 1.033 232 V CB 1.634 33.436 31.823 -0.035 0.000 1.282 232 V HN -0.054 nan 8.190 nan 0.000 0.514 233 P HA -0.106 nan 4.420 nan 0.000 0.217 233 P C 0.793 178.127 177.300 0.056 0.000 1.150 233 P CA 1.370 64.487 63.100 0.028 0.000 0.832 233 P CB 0.433 32.128 31.700 -0.008 0.000 0.787 234 D N -1.550 118.895 120.400 0.076 0.000 2.350 234 D HA -0.113 4.527 4.640 -0.000 0.000 0.216 234 D C 1.114 177.338 176.300 -0.126 0.000 0.968 234 D CA 0.909 54.882 54.000 -0.046 0.000 0.894 234 D CB -0.680 40.040 40.800 -0.134 0.000 0.909 234 D HN 0.329 nan 8.370 nan 0.000 0.520 235 Y N -0.218 120.095 120.300 0.021 0.000 2.468 235 Y HA 0.209 4.759 4.550 -0.000 0.000 0.268 235 Y C 0.478 176.387 175.900 0.014 0.000 1.177 235 Y CA -0.838 57.282 58.100 0.034 0.000 1.265 235 Y CB 0.117 38.609 38.460 0.053 0.000 1.103 235 Y HN -0.105 nan 8.280 nan 0.000 0.522 236 L N 2.024 123.315 121.223 0.113 0.000 2.601 236 L HA -0.083 4.257 4.340 -0.000 0.000 0.277 236 L C 0.586 177.485 176.870 0.048 0.000 1.219 236 L CA 0.377 55.252 54.840 0.058 0.000 0.915 236 L CB -0.041 42.029 42.059 0.017 0.000 1.160 236 L HN 0.413 nan 8.230 nan 0.000 0.494 237 N N 2.500 121.228 118.700 0.047 0.000 2.828 237 N HA -0.203 4.537 4.740 -0.000 0.000 0.248 237 N C -0.341 175.198 175.510 0.049 0.000 1.044 237 N CA 1.055 54.128 53.050 0.038 0.000 0.851 237 N CB -1.243 37.255 38.487 0.018 0.000 1.136 237 N HN 0.399 nan 8.380 nan 0.000 0.572 238 I N 1.969 122.588 120.570 0.081 0.000 2.496 238 I HA 0.170 4.340 4.170 -0.000 0.000 0.285 238 I C -1.583 174.589 176.117 0.092 0.000 1.080 238 I CA -1.943 59.413 61.300 0.094 0.000 1.404 238 I CB -0.021 38.078 38.000 0.164 0.000 1.403 238 I HN -0.089 nan 8.210 nan 0.000 0.539 239 P HA 0.359 nan 4.420 nan 0.000 0.282 239 P C -0.594 176.759 177.300 0.088 0.000 1.249 239 P CA -0.389 62.755 63.100 0.073 0.000 0.806 239 P CB 1.267 32.995 31.700 0.047 0.000 0.984 240 I N 2.738 123.379 120.570 0.117 0.000 2.312 240 I HA 0.209 4.379 4.170 -0.000 0.000 0.290 240 I C 1.349 177.600 176.117 0.223 0.000 1.008 240 I CA -0.009 61.371 61.300 0.133 0.000 1.226 240 I CB 1.226 39.309 38.000 0.140 0.000 1.371 240 I HN 0.429 nan 8.210 nan 0.000 0.468 241 T N 0.504 115.163 114.554 0.175 0.000 3.016 241 T HA 0.322 4.672 4.350 -0.000 0.000 0.271 241 T C 0.452 175.279 174.700 0.210 0.000 0.968 241 T CA -0.212 62.002 62.100 0.189 0.000 0.891 241 T CB 0.593 69.499 68.868 0.063 0.000 1.149 241 T HN 0.616 nan 8.240 nan 0.000 0.524 242 G N -0.239 108.619 108.800 0.096 0.000 2.620 242 G HA2 0.576 4.536 3.960 -0.000 0.000 0.301 242 G HA3 0.576 4.536 3.960 -0.000 0.000 0.301 242 G C -1.687 173.068 174.900 -0.241 0.000 1.347 242 G CA -0.764 44.340 45.100 0.007 0.000 0.971 242 G HN 0.422 nan 8.290 nan 0.000 0.488 243 C N 2.132 121.254 119.300 -0.297 0.000 2.871 243 C HA 0.826 5.286 4.460 -0.000 0.000 0.378 243 C C -1.019 173.854 174.990 -0.196 0.000 1.052 243 C CA -0.510 58.253 59.018 -0.426 0.000 1.250 243 C CB -0.126 27.018 27.740 -0.994 0.000 1.689 243 C HN 0.906 nan 8.230 nan 0.000 0.506 244 I N 3.730 124.213 120.570 -0.145 0.000 2.842 244 I HA 0.632 4.802 4.170 -0.000 0.000 0.297 244 I C 0.390 176.456 176.117 -0.084 0.000 1.380 244 I CA -0.020 61.230 61.300 -0.084 0.000 1.018 244 I CB 2.065 40.028 38.000 -0.063 0.000 1.311 244 I HN 0.886 nan 8.210 nan 0.000 0.439 245 G N 3.049 111.801 108.800 -0.081 0.000 2.544 245 G HA2 0.109 4.069 3.960 -0.000 0.000 0.242 245 G HA3 0.109 4.069 3.960 -0.000 0.000 0.242 245 G C 0.594 175.428 174.900 -0.110 0.000 1.247 245 G CA 0.413 45.449 45.100 -0.107 0.000 0.840 245 G HN 0.843 nan 8.290 nan 0.000 0.578 246 D N 0.408 120.727 120.400 -0.135 0.000 2.123 246 D HA -0.190 4.450 4.640 -0.000 0.000 0.196 246 D C 1.849 178.075 176.300 -0.123 0.000 0.992 246 D CA 1.344 55.272 54.000 -0.120 0.000 0.833 246 D CB -0.157 40.581 40.800 -0.103 0.000 0.954 246 D HN 0.324 nan 8.370 nan 0.000 0.455 247 Q N -0.066 119.620 119.800 -0.190 0.000 2.123 247 Q HA -0.051 4.289 4.340 -0.000 0.000 0.199 247 Q C 2.308 178.276 176.000 -0.054 0.000 0.966 247 Q CA 1.130 56.845 55.803 -0.146 0.000 0.845 247 Q CB -0.393 28.193 28.738 -0.253 0.000 0.907 247 Q HN 0.468 nan 8.270 nan 0.000 0.439 248 Q N -0.052 119.720 119.800 -0.047 0.000 2.119 248 Q HA -0.056 4.284 4.340 -0.000 0.000 0.201 248 Q C 2.171 178.190 176.000 0.030 0.000 0.972 248 Q CA 1.333 57.149 55.803 0.022 0.000 0.847 248 Q CB -0.309 28.447 28.738 0.030 0.000 0.903 248 Q HN 0.191 nan 8.270 nan 0.000 0.433 249 S N -0.167 115.522 115.700 -0.018 0.000 2.370 249 S HA -0.197 4.273 4.470 -0.000 0.000 0.226 249 S C 1.912 176.490 174.600 -0.036 0.000 1.033 249 S CA 1.145 59.324 58.200 -0.036 0.000 1.011 249 S CB -0.323 62.841 63.200 -0.060 0.000 0.852 249 S HN 0.515 nan 8.310 nan 0.000 0.457 250 A N -0.067 122.736 122.820 -0.028 0.000 2.019 250 A HA -0.106 4.214 4.320 -0.000 0.000 0.219 250 A C 2.419 179.987 177.584 -0.027 0.000 1.164 250 A CA 1.554 53.579 52.037 -0.020 0.000 0.644 250 A CB -1.230 17.773 19.000 0.006 0.000 0.805 250 A HN 0.716 nan 8.150 nan 0.000 0.449 251 C N -0.375 118.920 119.300 -0.008 0.000 2.432 251 C HA -0.095 4.365 4.460 -0.000 0.000 0.277 251 C C 2.510 177.425 174.990 -0.124 0.000 1.249 251 C CA 0.821 59.827 59.018 -0.020 0.000 1.725 251 C CB -1.052 26.744 27.740 0.093 0.000 2.028 251 C HN 0.599 nan 8.230 nan 0.000 0.477 252 I N 1.717 122.260 120.570 -0.046 0.000 2.179 252 I HA -0.093 4.077 4.170 -0.000 0.000 0.242 252 I C 2.709 178.757 176.117 -0.115 0.000 1.088 252 I CA 2.183 63.470 61.300 -0.021 0.000 1.357 252 I CB -2.121 35.910 38.000 0.052 0.000 1.051 252 I HN 0.399 nan 8.210 nan 0.000 0.409 253 G N 0.057 108.795 108.800 -0.105 0.000 2.471 253 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.219 253 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.219 253 G C 1.452 176.304 174.900 -0.080 0.000 1.125 253 G CA 0.125 45.161 45.100 -0.107 0.000 0.775 253 G HN 0.386 nan 8.290 nan 0.000 0.548 254 Q N -0.485 119.243 119.800 -0.120 0.000 2.360 254 Q HA 0.340 4.680 4.340 -0.000 0.000 0.202 254 Q C 1.456 177.302 176.000 -0.257 0.000 0.915 254 Q CA 0.447 56.184 55.803 -0.110 0.000 0.943 254 Q CB 0.429 29.119 28.738 -0.079 0.000 1.064 254 Q HN 0.490 nan 8.270 nan 0.000 0.511 255 A N 1.544 124.055 122.820 -0.514 0.000 2.745 255 A HA -0.161 4.159 4.320 -0.000 0.000 0.296 255 A C 0.308 177.298 177.584 -0.991 0.000 1.500 255 A CA 0.325 51.710 52.037 -1.087 0.000 0.766 255 A CB -1.880 16.890 19.000 -0.384 0.000 1.030 255 A HN 0.293 nan 8.150 nan 0.000 0.489 256 I N 0.699 120.812 120.570 -0.762 0.000 2.330 256 I HA 0.140 4.310 4.170 -0.000 0.000 0.280 256 I C 0.725 176.760 176.117 -0.137 0.000 1.069 256 I CA 0.100 61.217 61.300 -0.306 0.000 1.873 256 I CB -1.606 36.323 38.000 -0.119 0.000 1.476 256 I HN 0.390 nan 8.210 nan 0.000 0.813 257 F N 0.382 120.380 119.950 0.079 0.000 2.714 257 F HA 0.183 4.710 4.527 0.000 0.000 0.294 257 F C 0.992 176.855 175.800 0.105 0.000 1.120 257 F CA -0.292 57.778 58.000 0.115 0.000 1.398 257 F CB -0.072 38.930 39.000 0.003 0.000 1.120 257 F HN 0.153 nan 8.300 nan 0.000 0.589 258 D N 0.606 121.134 120.400 0.213 0.000 2.193 258 D HA 0.070 4.710 4.640 -0.000 0.000 0.249 258 D C -0.078 176.279 176.300 0.095 0.000 1.034 258 D CA -0.438 53.640 54.000 0.131 0.000 0.902 258 D CB 1.072 41.926 40.800 0.090 0.000 1.182 258 D HN 0.100 nan 8.370 nan 0.000 0.436 259 E N 0.002 120.245 120.200 0.072 0.000 2.558 259 E HA 0.177 4.527 4.350 -0.000 0.000 0.255 259 E C 0.941 177.573 176.600 0.054 0.000 0.968 259 E CA 0.663 57.095 56.400 0.053 0.000 0.939 259 E CB 0.098 29.822 29.700 0.039 0.000 0.921 259 E HN 0.687 nan 8.360 nan 0.000 0.477 260 G N 3.621 112.452 108.800 0.051 0.000 2.199 260 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.254 260 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.254 260 G C -0.113 174.822 174.900 0.059 0.000 0.982 260 G CA 0.259 45.392 45.100 0.055 0.000 0.632 260 G HN 0.603 nan 8.290 nan 0.000 0.529 261 E N 0.644 120.876 120.200 0.053 0.000 2.313 261 E HA 0.588 4.938 4.350 -0.000 0.000 0.276 261 E C 0.310 176.929 176.600 0.031 0.000 1.031 261 E CA 0.319 56.743 56.400 0.040 0.000 0.857 261 E CB 1.405 31.120 29.700 0.024 0.000 1.040 261 E HN 0.755 nan 8.360 nan 0.000 0.408 262 A N 2.851 125.685 122.820 0.023 0.000 2.435 262 A HA 0.620 4.940 4.320 -0.000 0.000 0.304 262 A C -1.017 176.573 177.584 0.011 0.000 1.064 262 A CA -0.926 51.123 52.037 0.020 0.000 0.727 262 A CB 1.343 20.355 19.000 0.020 0.000 1.284 262 A HN 0.576 nan 8.150 nan 0.000 0.415 263 K N -0.806 119.602 120.400 0.014 0.000 2.444 263 K HA 0.777 5.097 4.320 -0.000 0.000 0.252 263 K C -1.175 175.433 176.600 0.014 0.000 0.993 263 K CA -0.530 55.766 56.287 0.014 0.000 0.847 263 K CB 1.533 34.038 32.500 0.010 0.000 1.340 263 K HN 0.905 nan 8.250 nan 0.000 0.446 264 C N 1.586 120.893 119.300 0.013 0.000 2.446 264 C HA 0.658 5.118 4.460 -0.000 0.000 0.329 264 C C -1.022 173.951 174.990 -0.028 0.000 1.166 264 C CA -0.057 58.929 59.018 -0.053 0.000 1.341 264 C CB 0.676 28.341 27.740 -0.126 0.000 1.970 264 C HN 0.840 nan 8.230 nan 0.000 0.452 265 T N 5.545 120.083 114.554 -0.026 0.000 2.795 265 T HA 0.462 4.812 4.350 -0.000 0.000 0.282 265 T C -1.149 173.546 174.700 -0.007 0.000 0.980 265 T CA 0.110 62.256 62.100 0.076 0.000 1.012 265 T CB 0.504 69.452 68.868 0.134 0.000 0.936 265 T HN 0.593 nan 8.240 nan 0.000 0.457 266 Y N 1.758 122.128 120.300 0.117 0.000 2.342 266 Y HA 0.618 5.168 4.550 -0.000 0.000 0.338 266 Y C 0.908 176.880 175.900 0.121 0.000 0.965 266 Y CA -0.340 57.827 58.100 0.112 0.000 1.159 266 Y CB 1.500 40.034 38.460 0.124 0.000 1.157 266 Y HN 0.904 nan 8.280 nan 0.000 0.486 267 G N 0.440 109.392 108.800 0.254 0.000 3.000 267 G HA2 0.103 4.063 3.960 -0.000 0.000 0.170 267 G HA3 0.103 4.063 3.960 -0.000 0.000 0.170 267 G C 0.540 175.581 174.900 0.234 0.000 1.160 267 G CA -0.228 45.011 45.100 0.233 0.000 0.945 267 G HN 0.323 nan 8.290 nan 0.000 0.593 268 T N 0.439 115.169 114.554 0.293 0.000 2.720 268 T HA 0.146 4.496 4.350 -0.000 0.000 0.268 268 T C 1.228 176.155 174.700 0.378 0.000 1.037 268 T CA 1.826 64.126 62.100 0.334 0.000 1.144 268 T CB -0.483 68.650 68.868 0.441 0.000 0.864 268 T HN 0.779 nan 8.240 nan 0.000 0.444 269 G N -0.361 108.725 108.800 0.477 0.000 2.932 269 G HA2 0.588 4.548 3.960 -0.000 0.000 0.283 269 G HA3 0.588 4.548 3.960 -0.000 0.000 0.283 269 G C -1.570 173.228 174.900 -0.170 0.000 1.336 269 G CA -0.533 44.678 45.100 0.185 0.000 1.056 269 G HN 0.172 nan 8.290 nan 0.000 0.522 270 V N -0.140 119.368 119.914 -0.677 0.000 2.604 270 V HA 0.649 4.768 4.120 -0.000 0.000 0.305 270 V C -1.411 174.083 176.094 -0.999 0.000 1.043 270 V CA -0.482 61.455 62.300 -0.604 0.000 0.888 270 V CB 1.390 32.939 31.823 -0.457 0.000 0.995 270 V HN 0.535 nan 8.190 nan 0.000 0.429 271 F N 4.466 124.329 119.950 -0.144 0.000 2.671 271 F HA 0.531 5.058 4.527 -0.000 0.000 0.332 271 F C -0.391 175.358 175.800 -0.086 0.000 1.189 271 F CA -0.354 57.600 58.000 -0.077 0.000 0.988 271 F CB 1.671 40.640 39.000 -0.051 0.000 1.258 271 F HN 0.295 nan 8.300 nan 0.000 0.471 272 L N 5.014 126.268 121.223 0.052 0.000 2.275 272 L HA 0.728 5.068 4.340 -0.000 0.000 0.288 272 L C -1.529 175.390 176.870 0.081 0.000 1.046 272 L CA -0.659 54.198 54.840 0.027 0.000 0.805 272 L CB 0.877 42.921 42.059 -0.025 0.000 1.193 272 L HN 0.558 nan 8.230 nan 0.000 0.426 273 L N 6.123 127.387 121.223 0.069 0.000 2.386 273 L HA 0.556 4.896 4.340 -0.000 0.000 0.271 273 L C -0.608 176.293 176.870 0.052 0.000 0.993 273 L CA -0.094 54.790 54.840 0.072 0.000 0.819 273 L CB 1.972 44.076 42.059 0.076 0.000 1.294 273 L HN 0.522 nan 8.230 nan 0.000 0.414 274 I N 2.569 123.170 120.570 0.051 0.000 2.433 274 I HA 0.394 4.564 4.170 -0.000 0.000 0.292 274 I C -0.449 175.695 176.117 0.045 0.000 1.001 274 I CA -0.516 60.809 61.300 0.043 0.000 1.119 274 I CB 1.302 39.323 38.000 0.036 0.000 1.289 274 I HN 0.619 nan 8.210 nan 0.000 0.438 275 N N 4.656 123.386 118.700 0.049 0.000 2.452 275 N HA 0.036 4.776 4.740 -0.000 0.000 0.266 275 N C 0.403 175.935 175.510 0.037 0.000 1.175 275 N CA 0.323 53.401 53.050 0.047 0.000 0.945 275 N CB 1.039 39.575 38.487 0.081 0.000 1.063 275 N HN 0.721 nan 8.380 nan 0.000 0.472 276 T N 0.824 115.396 114.554 0.031 0.000 3.176 276 T HA 0.361 4.711 4.350 -0.000 0.000 0.263 276 T C 1.057 175.772 174.700 0.026 0.000 1.021 276 T CA 0.123 62.238 62.100 0.025 0.000 0.905 276 T CB -0.395 68.479 68.868 0.010 0.000 1.057 276 T HN 0.658 nan 8.240 nan 0.000 0.558 277 G N 2.462 111.274 108.800 0.021 0.000 2.566 277 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.280 277 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.280 277 G C 0.423 175.343 174.900 0.034 0.000 1.225 277 G CA 0.293 45.401 45.100 0.013 0.000 0.966 277 G HN 0.467 nan 8.290 nan 0.000 0.560 278 E N 0.697 120.920 120.200 0.039 0.000 2.481 278 E HA 0.066 4.416 4.350 -0.000 0.000 0.195 278 E C 1.235 177.895 176.600 0.100 0.000 1.047 278 E CA 0.386 56.841 56.400 0.090 0.000 0.867 278 E CB 0.166 29.889 29.700 0.038 0.000 0.858 278 E HN 0.429 nan 8.360 nan 0.000 0.513 279 K N 1.652 122.062 120.400 0.016 0.000 2.276 279 K HA 0.160 4.480 4.320 -0.000 0.000 0.283 279 K C -0.606 175.836 176.600 -0.265 0.000 1.044 279 K CA -0.275 55.953 56.287 -0.099 0.000 0.944 279 K CB 1.011 33.469 32.500 -0.070 0.000 1.012 279 K HN -0.192 nan 8.250 nan 0.000 0.472 280 V N 5.362 124.957 119.914 -0.532 0.000 2.427 280 V HA 0.103 4.223 4.120 -0.000 0.000 0.268 280 V C -0.255 175.519 176.094 -0.533 0.000 1.046 280 V CA -0.601 61.211 62.300 -0.814 0.000 0.970 280 V CB 1.109 32.332 31.823 -0.999 0.000 1.001 280 V HN 0.484 nan 8.190 nan 0.000 0.476 281 V N 6.456 126.117 119.914 -0.422 0.000 2.347 281 V HA 0.379 4.499 4.120 -0.000 0.000 0.280 281 V C -0.649 175.264 176.094 -0.301 0.000 1.021 281 V CA -0.775 61.372 62.300 -0.255 0.000 0.847 281 V CB 1.018 32.775 31.823 -0.111 0.000 0.990 281 V HN 0.697 nan 8.190 nan 0.000 0.444 282 Y N 2.560 122.809 120.300 -0.085 0.000 2.350 282 Y HA 0.392 4.942 4.550 -0.000 0.000 0.340 282 Y C 0.978 176.843 175.900 -0.059 0.000 1.006 282 Y CA 0.044 58.091 58.100 -0.088 0.000 1.166 282 Y CB 1.548 39.947 38.460 -0.101 0.000 1.168 282 Y HN 0.629 nan 8.280 nan 0.000 0.502 283 S N 1.253 117.007 115.700 0.089 0.000 2.580 283 S HA 0.161 4.631 4.470 -0.000 0.000 0.274 283 S C 0.909 175.551 174.600 0.071 0.000 1.329 283 S CA -0.136 58.104 58.200 0.067 0.000 1.036 283 S CB 0.375 63.616 63.200 0.069 0.000 0.919 283 S HN 0.817 nan 8.310 nan 0.000 0.515 284 T N -0.257 114.345 114.554 0.080 0.000 3.174 284 T HA 0.226 4.576 4.350 -0.000 0.000 0.269 284 T C 0.575 175.343 174.700 0.113 0.000 1.017 284 T CA -0.054 62.102 62.100 0.094 0.000 0.899 284 T CB -1.327 67.585 68.868 0.073 0.000 1.077 284 T HN 0.843 nan 8.240 nan 0.000 0.552 285 C N -1.042 118.333 119.300 0.125 0.000 3.202 285 C HA 0.844 5.304 4.460 -0.000 0.000 0.237 285 C C 1.555 176.658 174.990 0.188 0.000 2.183 285 C CA -0.630 58.473 59.018 0.141 0.000 1.352 285 C CB -0.878 26.924 27.740 0.103 0.000 2.502 285 C HN 0.879 nan 8.230 nan 0.000 0.524 286 G N 1.318 110.266 108.800 0.248 0.000 2.136 286 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.242 286 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.242 286 G C -0.259 174.916 174.900 0.457 0.000 0.989 286 G CA 0.456 45.798 45.100 0.403 0.000 0.682 286 G HN 0.769 nan 8.290 nan 0.000 0.522 287 L N 0.038 121.419 121.223 0.262 0.000 2.360 287 L HA 0.665 5.005 4.340 -0.000 0.000 0.271 287 L C 0.912 177.874 176.870 0.153 0.000 1.057 287 L CA -1.125 53.857 54.840 0.237 0.000 0.803 287 L CB 1.359 43.510 42.059 0.153 0.000 1.207 287 L HN 0.008 nan 8.230 nan 0.000 0.445 288 I N 0.698 121.372 120.570 0.173 0.000 2.353 288 I HA 0.168 4.338 4.170 -0.000 0.000 0.293 288 I C 0.030 176.198 176.117 0.084 0.000 0.992 288 I CA -0.253 61.100 61.300 0.088 0.000 1.268 288 I CB 1.803 39.903 38.000 0.167 0.000 1.387 288 I HN 0.557 nan 8.210 nan 0.000 0.478 289 T N 4.351 118.923 114.554 0.028 0.000 2.737 289 T HA 0.248 4.598 4.350 -0.000 0.000 0.296 289 T C 0.035 174.785 174.700 0.083 0.000 0.922 289 T CA -0.060 62.043 62.100 0.005 0.000 1.079 289 T CB 0.760 69.548 68.868 -0.135 0.000 0.892 289 T HN 0.630 nan 8.240 nan 0.000 0.514 290 T N 2.549 117.171 114.554 0.113 0.000 2.864 290 T HA 0.598 4.948 4.350 -0.000 0.000 0.289 290 T C -0.686 174.067 174.700 0.087 0.000 1.082 290 T CA -0.890 61.279 62.100 0.114 0.000 1.009 290 T CB 0.739 69.668 68.868 0.102 0.000 1.234 290 T HN 0.313 nan 8.240 nan 0.000 0.526 291 I N 2.390 122.943 120.570 -0.029 0.000 2.441 291 I HA 0.228 4.398 4.170 -0.000 0.000 0.287 291 I C 1.646 177.676 176.117 -0.146 0.000 1.049 291 I CA -0.131 61.039 61.300 -0.216 0.000 1.381 291 I CB 0.695 38.552 38.000 -0.239 0.000 1.409 291 I HN 0.814 nan 8.210 nan 0.000 0.523 292 C N 7.539 126.708 119.300 -0.219 0.000 2.544 292 C HA 0.072 4.532 4.460 -0.000 0.000 0.280 292 C C 0.252 175.263 174.990 0.034 0.000 1.295 292 C CA 0.584 59.540 59.018 -0.103 0.000 1.702 292 C CB -0.384 27.241 27.740 -0.192 0.000 2.090 292 C HN 0.768 nan 8.230 nan 0.000 0.493 293 Y N -1.208 119.085 120.300 -0.011 0.000 2.687 293 Y HA 0.531 5.081 4.550 -0.000 0.000 0.338 293 Y C -0.907 175.012 175.900 0.032 0.000 1.189 293 Y CA -1.502 56.643 58.100 0.075 0.000 1.097 293 Y CB 0.308 38.945 38.460 0.295 0.000 1.342 293 Y HN 0.070 nan 8.280 nan 0.000 0.461 294 K N 2.006 122.584 120.400 0.296 0.000 2.716 294 K HA 0.401 4.721 4.320 -0.000 0.000 0.249 294 K C -1.126 175.687 176.600 0.354 0.000 1.004 294 K CA -0.578 55.831 56.287 0.204 0.000 0.968 294 K CB 0.566 33.075 32.500 0.014 0.000 1.214 294 K HN 0.573 nan 8.250 nan 0.000 0.476 295 F N 1.000 121.007 119.950 0.094 0.000 2.084 295 F HA 0.057 4.584 4.527 0.000 0.000 0.296 295 F C 0.942 176.745 175.800 0.006 0.000 1.111 295 F CA 0.635 58.658 58.000 0.039 0.000 1.224 295 F CB -0.109 38.890 39.000 -0.003 0.000 0.991 295 F HN 0.451 nan 8.300 nan 0.000 0.471 296 N N -0.005 118.805 118.700 0.183 0.000 2.381 296 N HA 0.093 4.833 4.740 -0.000 0.000 0.294 296 N C 0.445 175.970 175.510 0.025 0.000 1.216 296 N CA -0.439 52.653 53.050 0.070 0.000 0.803 296 N CB 1.217 39.735 38.487 0.053 0.000 1.372 296 N HN -0.101 nan 8.380 nan 0.000 0.500 297 D N 0.275 120.670 120.400 -0.009 0.000 2.182 297 D HA -0.127 4.513 4.640 -0.000 0.000 0.201 297 D C 0.889 177.178 176.300 -0.017 0.000 0.986 297 D CA 1.294 55.280 54.000 -0.023 0.000 0.847 297 D CB 0.109 40.886 40.800 -0.039 0.000 0.942 297 D HN 0.406 nan 8.370 nan 0.000 0.467 298 N N 0.991 119.684 118.700 -0.012 0.000 2.244 298 N HA -0.077 4.663 4.740 -0.000 0.000 0.183 298 N C -0.070 175.432 175.510 -0.013 0.000 1.016 298 N CA 0.627 53.670 53.050 -0.012 0.000 0.866 298 N CB -0.135 38.346 38.487 -0.011 0.000 0.980 298 N HN 0.214 nan 8.380 nan 0.000 0.430 299 D N 1.443 121.837 120.400 -0.010 0.000 2.424 299 D HA 0.042 4.682 4.640 -0.000 0.000 0.244 299 D C 0.363 176.645 176.300 -0.031 0.000 1.134 299 D CA 0.290 54.278 54.000 -0.020 0.000 0.881 299 D CB 0.807 41.600 40.800 -0.012 0.000 1.191 299 D HN -0.009 nan 8.370 nan 0.000 0.445 300 K N 2.909 123.288 120.400 -0.036 0.000 2.401 300 K HA 0.144 4.464 4.320 -0.000 0.000 0.278 300 K C -2.057 174.488 176.600 -0.092 0.000 1.018 300 K CA -1.077 55.188 56.287 -0.038 0.000 0.981 300 K CB 0.318 32.808 32.500 -0.016 0.000 0.933 300 K HN 0.257 nan 8.250 nan 0.000 0.477 301 P HA 0.066 nan 4.420 nan 0.000 0.274 301 P C -1.024 176.044 177.300 -0.386 0.000 1.231 301 P CA -0.223 62.685 63.100 -0.320 0.000 0.790 301 P CB 0.607 31.993 31.700 -0.524 0.000 0.951 302 K N 2.333 122.407 120.400 -0.544 0.000 2.211 302 K HA 0.315 4.635 4.320 -0.000 0.000 0.275 302 K C -0.051 176.204 176.600 -0.574 0.000 1.024 302 K CA -0.370 55.595 56.287 -0.537 0.000 0.887 302 K CB 0.289 32.304 32.500 -0.808 0.000 1.084 302 K HN 0.431 nan 8.250 nan 0.000 0.463 303 Y N 0.254 120.421 120.300 -0.222 0.000 2.392 303 Y HA 0.514 5.064 4.550 -0.000 0.000 0.323 303 Y C 0.675 176.500 175.900 -0.125 0.000 1.291 303 Y CA -0.352 57.650 58.100 -0.163 0.000 1.345 303 Y CB 1.389 39.760 38.460 -0.149 0.000 1.320 303 Y HN 0.640 nan 8.280 nan 0.000 0.518 304 A N 0.804 123.684 122.820 0.101 0.000 2.594 304 A HA 0.758 5.078 4.320 -0.000 0.000 0.291 304 A C -1.941 175.680 177.584 0.062 0.000 1.105 304 A CA -0.808 51.264 52.037 0.059 0.000 0.694 304 A CB 1.166 20.193 19.000 0.045 0.000 1.291 304 A HN 0.663 nan 8.150 nan 0.000 0.410 305 L N 0.900 122.156 121.223 0.054 0.000 2.317 305 L HA 0.635 4.975 4.340 -0.000 0.000 0.281 305 L C 0.041 176.968 176.870 0.094 0.000 1.024 305 L CA -0.264 54.616 54.840 0.065 0.000 0.810 305 L CB 1.765 43.854 42.059 0.050 0.000 1.240 305 L HN 0.889 nan 8.230 nan 0.000 0.427 306 E N 1.687 121.968 120.200 0.135 0.000 2.248 306 E HA 0.576 4.926 4.350 -0.000 0.000 0.267 306 E C -0.902 175.828 176.600 0.216 0.000 0.877 306 E CA -0.722 55.785 56.400 0.177 0.000 0.759 306 E CB 2.131 31.965 29.700 0.223 0.000 1.182 306 E HN 0.675 nan 8.360 nan 0.000 0.418 307 G N 2.101 111.006 108.800 0.176 0.000 2.422 307 G HA2 0.435 4.395 3.960 -0.000 0.000 0.317 307 G HA3 0.435 4.395 3.960 -0.000 0.000 0.317 307 G C -0.896 174.070 174.900 0.110 0.000 1.210 307 G CA -0.455 44.732 45.100 0.145 0.000 0.930 307 G HN 0.359 nan 8.290 nan 0.000 0.468 308 S N 1.353 117.131 115.700 0.131 0.000 2.454 308 S HA 0.618 5.088 4.470 -0.000 0.000 0.306 308 S C -0.320 174.189 174.600 -0.152 0.000 1.100 308 S CA -0.423 57.805 58.200 0.046 0.000 1.087 308 S CB 1.456 64.860 63.200 0.339 0.000 1.019 308 S HN 0.502 nan 8.310 nan 0.000 0.480 309 I N 1.925 122.258 120.570 -0.395 0.000 2.447 309 I HA 0.365 4.535 4.170 -0.000 0.000 0.287 309 I C 1.250 177.221 176.117 -0.242 0.000 1.023 309 I CA -0.685 60.439 61.300 -0.293 0.000 1.083 309 I CB 1.884 39.713 38.000 -0.284 0.000 1.245 309 I HN 0.847 nan 8.210 nan 0.000 0.434 310 G N 3.641 112.315 108.800 -0.211 0.000 2.408 310 G HA2 -0.049 3.911 3.960 -0.000 0.000 0.215 310 G HA3 -0.049 3.911 3.960 -0.000 0.000 0.215 310 G C 0.606 175.506 174.900 -0.000 0.000 1.156 310 G CA 0.581 45.636 45.100 -0.074 0.000 0.793 310 G HN 0.498 nan 8.290 nan 0.000 0.535 311 T N 0.787 115.301 114.554 -0.066 0.000 2.821 311 T HA 0.675 5.025 4.350 -0.000 0.000 0.307 311 T C 0.315 175.019 174.700 0.006 0.000 1.034 311 T CA 0.102 62.208 62.100 0.011 0.000 0.953 311 T CB 1.563 70.464 68.868 0.055 0.000 0.968 311 T HN 0.350 nan 8.240 nan 0.000 0.462 312 A N 3.061 125.907 122.820 0.044 0.000 2.043 312 A HA 0.790 5.109 4.320 -0.000 0.000 0.183 312 A C 2.036 179.648 177.584 0.046 0.000 1.568 312 A CA 0.417 52.481 52.037 0.045 0.000 1.796 312 A CB -0.770 18.269 19.000 0.065 0.000 1.908 312 A HN 0.683 nan 8.150 nan 0.000 0.851 313 G N 0.737 109.585 108.800 0.080 0.000 2.469 313 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.220 313 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.220 313 G C 1.845 176.792 174.900 0.079 0.000 1.136 313 G CA 2.534 47.679 45.100 0.074 0.000 0.759 313 G HN 1.241 nan 8.290 nan 0.000 0.562 314 S N 0.626 116.389 115.700 0.105 0.000 2.383 314 S HA -0.016 4.454 4.470 -0.000 0.000 0.229 314 S C 2.438 177.054 174.600 0.026 0.000 1.030 314 S CA 1.633 59.883 58.200 0.083 0.000 1.002 314 S CB -0.852 62.393 63.200 0.074 0.000 0.829 314 S HN 0.477 nan 8.310 nan 0.000 0.467 315 G N 1.286 110.100 108.800 0.023 0.000 2.402 315 G HA2 -0.061 3.899 3.960 -0.000 0.000 0.216 315 G HA3 -0.061 3.899 3.960 -0.000 0.000 0.216 315 G C 1.440 176.389 174.900 0.081 0.000 1.162 315 G CA 0.832 45.944 45.100 0.020 0.000 0.777 315 G HN 0.481 nan 8.290 nan 0.000 0.539 316 V N 1.005 120.945 119.914 0.043 0.000 2.343 316 V HA -0.193 3.927 4.120 -0.000 0.000 0.247 316 V C 3.034 179.157 176.094 0.049 0.000 1.051 316 V CA 2.213 64.534 62.300 0.035 0.000 1.036 316 V CB -0.464 31.349 31.823 -0.016 0.000 0.654 316 V HN 0.491 nan 8.190 nan 0.000 0.451 317 S N -1.345 114.384 115.700 0.049 0.000 2.368 317 S HA -0.284 4.186 4.470 -0.000 0.000 0.225 317 S C 1.684 176.305 174.600 0.034 0.000 1.030 317 S CA 1.992 60.211 58.200 0.032 0.000 0.999 317 S CB -0.491 62.733 63.200 0.039 0.000 0.844 317 S HN 0.730 nan 8.310 nan 0.000 0.459 318 W N 1.756 122.961 121.300 -0.157 0.000 2.355 318 W HA -0.024 4.635 4.660 -0.000 0.000 0.309 318 W C 1.844 178.303 176.519 -0.099 0.000 1.206 318 W CA 1.430 58.651 57.345 -0.206 0.000 1.284 318 W CB -0.443 28.739 29.460 -0.462 0.000 1.145 318 W HN 0.285 nan 8.180 nan 0.000 0.502 319 L N 0.126 121.481 121.223 0.221 0.000 2.012 319 L HA -0.263 4.077 4.340 -0.000 0.000 0.210 319 L C 2.488 179.303 176.870 -0.091 0.000 1.073 319 L CA 1.394 56.285 54.840 0.086 0.000 0.748 319 L CB -1.328 40.839 42.059 0.180 0.000 0.891 319 L HN 0.142 nan 8.230 nan 0.000 0.431 320 L N 0.260 121.443 121.223 -0.066 0.000 2.017 320 L HA -0.229 4.111 4.340 -0.000 0.000 0.208 320 L C 2.602 179.386 176.870 -0.143 0.000 1.073 320 L CA 1.831 56.621 54.840 -0.084 0.000 0.745 320 L CB -0.624 41.403 42.059 -0.053 0.000 0.894 320 L HN 0.145 nan 8.230 nan 0.000 0.432 321 K N -0.373 119.909 120.400 -0.196 0.000 2.103 321 K HA -0.186 4.134 4.320 -0.000 0.000 0.207 321 K C 1.084 177.504 176.600 -0.300 0.000 1.048 321 K CA 2.038 58.183 56.287 -0.237 0.000 0.930 321 K CB -0.186 32.151 32.500 -0.273 0.000 0.716 321 K HN 0.513 nan 8.250 nan 0.000 0.444 322 N N 0.457 118.892 118.700 -0.443 0.000 2.276 322 N HA 0.041 4.781 4.740 -0.000 0.000 0.212 322 N C -0.763 174.587 175.510 -0.267 0.000 1.127 322 N CA -0.105 52.676 53.050 -0.448 0.000 0.834 322 N CB 0.687 38.673 38.487 -0.835 0.000 1.014 322 N HN 0.061 nan 8.380 nan 0.000 0.491 323 K N -0.643 119.645 120.400 -0.186 0.000 3.341 323 K HA -0.197 4.123 4.320 -0.000 0.000 0.305 323 K C 0.494 177.050 176.600 -0.073 0.000 1.270 323 K CA 0.511 56.732 56.287 -0.110 0.000 0.897 323 K CB -2.014 30.430 32.500 -0.094 0.000 1.264 323 K HN 0.361 nan 8.250 nan 0.000 0.468 324 L N -0.192 120.988 121.223 -0.070 0.000 2.313 324 L HA 0.209 4.549 4.340 -0.000 0.000 0.214 324 L C 1.324 178.199 176.870 0.008 0.000 1.119 324 L CA 0.619 55.456 54.840 -0.004 0.000 0.809 324 L CB 0.186 42.281 42.059 0.060 0.000 0.933 324 L HN 0.234 nan 8.230 nan 0.000 0.449 325 I N -1.219 119.344 120.570 -0.012 0.000 2.647 325 I HA 0.142 4.312 4.170 -0.000 0.000 0.295 325 I C -0.086 176.013 176.117 -0.030 0.000 1.078 325 I CA -0.467 60.824 61.300 -0.015 0.000 1.048 325 I CB 2.070 40.067 38.000 -0.005 0.000 1.239 325 I HN -0.107 nan 8.210 nan 0.000 0.421 326 D N 3.564 123.947 120.400 -0.028 0.000 2.249 326 D HA 0.053 4.693 4.640 -0.000 0.000 0.205 326 D C -0.109 176.173 176.300 -0.029 0.000 0.962 326 D CA 1.109 55.090 54.000 -0.030 0.000 0.860 326 D CB 0.426 41.211 40.800 -0.025 0.000 0.955 326 D HN 0.488 nan 8.370 nan 0.000 0.505 327 D N -1.543 118.841 120.400 -0.027 0.000 2.736 327 D HA 0.100 4.740 4.640 -0.000 0.000 0.223 327 D C -2.284 174.000 176.300 -0.026 0.000 1.231 327 D CA -1.610 52.375 54.000 -0.025 0.000 0.818 327 D CB 2.759 43.546 40.800 -0.021 0.000 1.587 327 D HN -0.330 nan 8.370 nan 0.000 0.463 328 P HA -0.108 nan 4.420 nan 0.000 0.220 328 P C 1.420 178.697 177.300 -0.039 0.000 1.148 328 P CA 1.135 64.215 63.100 -0.033 0.000 0.803 328 P CB 0.092 31.776 31.700 -0.027 0.000 0.782 329 S N 0.893 116.576 115.700 -0.029 0.000 2.402 329 S HA -0.236 4.234 4.470 -0.000 0.000 0.233 329 S C 1.671 176.253 174.600 -0.032 0.000 1.030 329 S CA 1.321 59.505 58.200 -0.026 0.000 1.003 329 S CB -1.322 61.868 63.200 -0.016 0.000 0.813 329 S HN 0.426 nan 8.310 nan 0.000 0.477 330 E N 1.516 121.697 120.200 -0.032 0.000 2.511 330 E HA 0.269 4.619 4.350 -0.000 0.000 0.196 330 E C 1.914 178.489 176.600 -0.041 0.000 1.066 330 E CA 0.482 56.863 56.400 -0.031 0.000 0.871 330 E CB -0.383 29.301 29.700 -0.027 0.000 0.863 330 E HN 0.659 nan 8.360 nan 0.000 0.520 331 A N 1.718 124.502 122.820 -0.059 0.000 1.978 331 A HA -0.225 4.095 4.320 -0.000 0.000 0.220 331 A C 2.364 179.911 177.584 -0.063 0.000 1.170 331 A CA 1.820 53.809 52.037 -0.081 0.000 0.636 331 A CB -0.565 18.351 19.000 -0.139 0.000 0.810 331 A HN 0.318 nan 8.150 nan 0.000 0.448 332 S N -0.434 115.238 115.700 -0.047 0.000 2.345 332 S HA -0.164 4.306 4.470 -0.000 0.000 0.220 332 S C 1.717 176.312 174.600 -0.009 0.000 1.031 332 S CA 1.577 59.766 58.200 -0.020 0.000 0.996 332 S CB -0.470 62.726 63.200 -0.006 0.000 0.882 332 S HN 0.547 nan 8.310 nan 0.000 0.445 333 D N 1.248 121.641 120.400 -0.012 0.000 2.149 333 D HA -0.042 4.598 4.640 -0.000 0.000 0.198 333 D C 1.863 178.154 176.300 -0.015 0.000 0.990 333 D CA 0.987 54.982 54.000 -0.008 0.000 0.839 333 D CB -0.412 40.382 40.800 -0.009 0.000 0.948 333 D HN 0.452 nan 8.370 nan 0.000 0.460 334 I N 0.277 120.831 120.570 -0.026 0.000 2.163 334 I HA -0.280 3.890 4.170 -0.000 0.000 0.243 334 I C 2.461 178.561 176.117 -0.029 0.000 1.085 334 I CA 0.982 62.260 61.300 -0.036 0.000 1.347 334 I CB -0.160 37.814 38.000 -0.043 0.000 1.044 334 I HN 0.011 nan 8.210 nan 0.000 0.408 335 M N -0.390 119.197 119.600 -0.021 0.000 2.229 335 M HA -0.164 4.316 4.480 -0.000 0.000 0.264 335 M C 2.190 178.495 176.300 0.010 0.000 1.063 335 M CA 1.384 56.678 55.300 -0.009 0.000 1.114 335 M CB -0.372 32.227 32.600 -0.001 0.000 1.387 335 M HN 0.206 nan 8.290 nan 0.000 0.420 336 E N 0.812 121.020 120.200 0.014 0.000 2.031 336 E HA -0.177 4.173 4.350 -0.000 0.000 0.193 336 E C 1.888 178.500 176.600 0.020 0.000 0.994 336 E CA 1.348 57.762 56.400 0.023 0.000 0.800 336 E CB -0.239 29.473 29.700 0.021 0.000 0.752 336 E HN 0.525 nan 8.360 nan 0.000 0.447 337 K N -0.248 120.156 120.400 0.008 0.000 2.155 337 K HA 0.006 4.326 4.320 -0.000 0.000 0.203 337 K C 0.754 177.359 176.600 0.010 0.000 1.052 337 K CA 0.377 56.668 56.287 0.006 0.000 0.948 337 K CB 0.158 32.653 32.500 -0.008 0.000 0.728 337 K HN 0.013 nan 8.250 nan 0.000 0.448 338 C N 2.255 121.556 119.300 0.001 0.000 2.176 338 C HA 0.204 4.664 4.460 -0.000 0.000 0.329 338 C C 1.260 176.279 174.990 0.048 0.000 1.113 338 C CA -0.748 58.281 59.018 0.017 0.000 1.562 338 C CB -0.023 27.697 27.740 -0.033 0.000 2.040 338 C HN 0.372 nan 8.230 nan 0.000 0.460 339 E N 2.195 122.438 120.200 0.072 0.000 2.285 339 E HA -0.039 4.311 4.350 -0.000 0.000 0.194 339 E C 0.500 177.149 176.600 0.081 0.000 0.997 339 E CA 0.836 57.278 56.400 0.070 0.000 0.845 339 E CB 0.267 30.009 29.700 0.070 0.000 0.782 339 E HN 0.934 nan 8.360 nan 0.000 0.491 340 N N -1.889 116.876 118.700 0.108 0.000 2.972 340 N HA 0.070 4.810 4.740 -0.000 0.000 0.262 340 N C -0.060 175.552 175.510 0.169 0.000 1.478 340 N CA -0.426 52.691 53.050 0.111 0.000 0.841 340 N CB 0.563 39.110 38.487 0.101 0.000 1.512 340 N HN -0.219 nan 8.380 nan 0.000 0.548 341 T N -4.224 110.412 114.554 0.138 0.000 3.244 341 T HA 0.121 4.471 4.350 -0.000 0.000 0.254 341 T C 0.516 175.208 174.700 -0.013 0.000 1.024 341 T CA 0.403 62.604 62.100 0.169 0.000 0.920 341 T CB -1.560 67.403 68.868 0.158 0.000 1.042 341 T HN 1.394 nan 8.240 nan 0.000 0.572 342 T N -1.914 112.556 114.554 -0.141 0.000 4.386 342 T HA -0.233 4.117 4.350 -0.000 0.000 0.320 342 T C 1.683 176.334 174.700 -0.081 0.000 0.916 342 T CA 1.154 63.125 62.100 -0.215 0.000 2.028 342 T CB -2.594 66.006 68.868 -0.446 0.000 1.935 342 T HN 2.090 nan 8.240 nan 0.000 0.894 343 G N -1.402 107.395 108.800 -0.005 0.000 2.148 343 G HA2 -0.136 3.824 3.960 -0.000 0.000 0.254 343 G HA3 -0.136 3.824 3.960 -0.000 0.000 0.254 343 G C 0.152 175.084 174.900 0.053 0.000 0.981 343 G CA 0.004 45.123 45.100 0.031 0.000 0.670 343 G HN 1.641 nan 8.290 nan 0.000 0.528 344 V N 1.108 121.061 119.914 0.064 0.000 2.614 344 V HA 0.540 4.660 4.120 -0.000 0.000 0.291 344 V C 0.879 177.076 176.094 0.171 0.000 1.049 344 V CA 0.139 62.498 62.300 0.099 0.000 1.038 344 V CB 1.415 33.296 31.823 0.098 0.000 0.980 344 V HN 0.321 nan 8.190 nan 0.000 0.481 345 I N 4.771 125.463 120.570 0.203 0.000 2.509 345 I HA 0.448 4.618 4.170 -0.000 0.000 0.293 345 I C -0.845 175.474 176.117 0.336 0.000 1.020 345 I CA -0.298 61.176 61.300 0.289 0.000 1.088 345 I CB 2.039 40.166 38.000 0.211 0.000 1.267 345 I HN 0.511 nan 8.210 nan 0.000 0.430 346 F N 6.456 126.548 119.950 0.236 0.000 2.434 346 F HA 0.480 5.006 4.527 -0.000 0.000 0.355 346 F C -0.516 175.406 175.800 0.203 0.000 1.115 346 F CA -0.959 57.125 58.000 0.140 0.000 1.010 346 F CB 1.241 40.315 39.000 0.123 0.000 1.234 346 F HN 0.065 nan 8.300 nan 0.000 0.439 347 V N 7.461 127.628 119.914 0.422 0.000 2.356 347 V HA 0.187 4.307 4.120 -0.000 0.000 0.258 347 V C -2.217 173.959 176.094 0.138 0.000 1.065 347 V CA -1.501 60.930 62.300 0.218 0.000 0.935 347 V CB 0.318 32.099 31.823 -0.069 0.000 1.061 347 V HN 0.528 nan 8.190 nan 0.000 0.484 348 P HA 0.389 nan 4.420 nan 0.000 0.241 348 P C -0.060 177.093 177.300 -0.245 0.000 1.780 348 P CA -0.008 62.938 63.100 -0.257 0.000 1.111 348 P CB 0.769 32.341 31.700 -0.214 0.000 1.852 349 A N 1.746 124.333 122.820 -0.388 0.000 2.812 349 A HA 0.319 4.638 4.320 -0.000 0.000 0.294 349 A C 0.741 178.145 177.584 -0.300 0.000 1.014 349 A CA -0.308 51.569 52.037 -0.266 0.000 1.024 349 A CB -0.954 17.936 19.000 -0.184 0.000 1.162 349 A HN 0.172 nan 8.150 nan 0.000 0.511 350 F N 1.013 120.856 119.950 -0.179 0.000 2.161 350 F HA -0.161 4.366 4.527 -0.000 0.000 0.300 350 F C 2.316 178.042 175.800 -0.123 0.000 1.089 350 F CA 2.142 60.030 58.000 -0.186 0.000 1.282 350 F CB 0.077 38.926 39.000 -0.251 0.000 1.010 350 F HN 0.453 nan 8.300 nan 0.000 0.485 351 S N -0.831 114.874 115.700 0.009 0.000 2.562 351 S HA 0.597 5.067 4.470 -0.000 0.000 0.246 351 S C 0.575 175.127 174.600 -0.080 0.000 1.056 351 S CA -0.063 58.119 58.200 -0.030 0.000 1.042 351 S CB -0.325 62.834 63.200 -0.069 0.000 0.822 351 S HN 0.645 nan 8.310 nan 0.000 0.465 352 G N 1.202 109.950 108.800 -0.086 0.000 2.728 352 G HA2 -0.127 3.833 3.960 -0.000 0.000 0.294 352 G HA3 -0.127 3.833 3.960 -0.000 0.000 0.294 352 G C -0.932 173.869 174.900 -0.165 0.000 1.342 352 G CA -0.673 44.390 45.100 -0.062 0.000 0.866 352 G HN 0.577 nan 8.290 nan 0.000 0.534 353 L N 0.725 121.893 121.223 -0.091 0.000 2.295 353 L HA 0.569 4.909 4.340 -0.000 0.000 0.285 353 L C 0.590 177.377 176.870 -0.139 0.000 1.035 353 L CA -1.053 53.697 54.840 -0.150 0.000 0.806 353 L CB 1.127 43.130 42.059 -0.094 0.000 1.214 353 L HN 0.599 nan 8.230 nan 0.000 0.426 354 Y N 1.700 121.698 120.300 -0.503 0.000 3.133 354 Y HA 0.470 5.020 4.550 -0.000 0.000 0.467 354 Y C 0.958 175.892 175.900 -1.610 0.000 1.219 354 Y CA -0.991 56.401 58.100 -1.179 0.000 1.802 354 Y CB -0.385 37.550 38.460 -0.876 0.000 1.541 354 Y HN 0.509 nan 8.280 nan 0.000 0.778 355 A N 2.073 124.203 122.820 -1.149 0.000 2.386 355 A HA 0.293 4.613 4.320 -0.000 0.000 0.248 355 A C -1.870 175.519 177.584 -0.325 0.000 1.082 355 A CA -0.850 50.756 52.037 -0.719 0.000 0.789 355 A CB -0.481 18.474 19.000 -0.074 0.000 1.025 355 A HN 0.455 nan 8.150 nan 0.000 0.490 356 P HA 0.107 nan 4.420 nan 0.000 0.267 356 P C 0.762 178.086 177.300 0.040 0.000 1.289 356 P CA 0.237 63.331 63.100 -0.010 0.000 0.866 356 P CB 0.369 32.126 31.700 0.094 0.000 1.309 357 R N -1.398 119.055 120.500 -0.078 0.000 2.153 357 R HA 0.001 4.340 4.340 -0.000 0.000 0.218 357 R C 0.089 176.488 176.300 0.165 0.000 1.072 357 R CA 0.290 56.419 56.100 0.048 0.000 0.990 357 R CB -0.552 29.759 30.300 0.018 0.000 0.889 357 R HN 0.067 nan 8.270 nan 0.000 0.452 358 W N 1.689 123.059 121.300 0.117 0.000 6.010 358 W HA -0.227 4.433 4.660 -0.000 0.000 0.428 358 W C -0.533 176.044 176.519 0.098 0.000 1.718 358 W CA 0.047 57.469 57.345 0.127 0.000 1.002 358 W CB -0.879 28.655 29.460 0.124 0.000 2.937 358 W HN -0.004 nan 8.180 nan 0.000 1.351 359 R N 1.088 121.700 120.500 0.187 0.000 2.312 359 R HA 0.243 4.583 4.340 -0.000 0.000 0.310 359 R C 1.165 177.538 176.300 0.121 0.000 1.064 359 R CA 0.367 56.546 56.100 0.132 0.000 0.983 359 R CB 1.013 31.349 30.300 0.060 0.000 1.139 359 R HN 0.252 nan 8.270 nan 0.000 0.536 360 S N 0.440 116.232 115.700 0.153 0.000 2.474 360 S HA -0.141 4.329 4.470 -0.000 0.000 0.235 360 S C 1.098 175.745 174.600 0.078 0.000 0.997 360 S CA 1.106 59.387 58.200 0.135 0.000 0.949 360 S CB 0.024 63.303 63.200 0.132 0.000 0.766 360 S HN 0.563 nan 8.310 nan 0.000 0.517 361 D N 2.245 122.679 120.400 0.058 0.000 2.323 361 D HA 0.176 4.816 4.640 -0.000 0.000 0.209 361 D C 0.839 177.146 176.300 0.011 0.000 0.973 361 D CA 0.506 54.526 54.000 0.034 0.000 0.874 361 D CB -0.572 40.247 40.800 0.031 0.000 0.930 361 D HN 0.514 nan 8.370 nan 0.000 0.521 362 A N 0.773 123.594 122.820 0.001 0.000 2.498 362 A HA 0.355 4.675 4.320 -0.000 0.000 0.239 362 A C 0.431 177.981 177.584 -0.056 0.000 1.068 362 A CA -0.053 51.964 52.037 -0.035 0.000 0.766 362 A CB 0.403 19.373 19.000 -0.050 0.000 1.003 362 A HN 0.060 nan 8.150 nan 0.000 0.497 363 R N 0.382 120.830 120.500 -0.087 0.000 2.867 363 R HA 0.635 4.975 4.340 -0.000 0.000 0.268 363 R C -0.228 175.937 176.300 -0.224 0.000 1.014 363 R CA -0.408 55.615 56.100 -0.127 0.000 0.946 363 R CB 1.755 32.002 30.300 -0.088 0.000 1.208 363 R HN 0.879 nan 8.270 nan 0.000 0.477 364 A N 1.156 123.748 122.820 -0.380 0.000 2.488 364 A HA 0.437 4.757 4.320 -0.000 0.000 0.249 364 A C -0.464 176.892 177.584 -0.380 0.000 1.083 364 A CA 0.287 51.990 52.037 -0.557 0.000 0.768 364 A CB 0.132 18.294 19.000 -1.396 0.000 1.017 364 A HN 0.588 nan 8.150 nan 0.000 0.496 365 S N 1.223 116.725 115.700 -0.330 0.000 2.546 365 S HA 0.630 5.100 4.470 -0.000 0.000 0.272 365 S C -0.805 173.426 174.600 -0.615 0.000 1.140 365 S CA -0.379 57.539 58.200 -0.470 0.000 0.920 365 S CB 1.272 64.221 63.200 -0.418 0.000 1.083 365 S HN 0.587 nan 8.310 nan 0.000 0.476 366 I N 2.559 122.645 120.570 -0.806 0.000 2.465 366 I HA 0.528 4.698 4.170 -0.000 0.000 0.291 366 I C -1.494 174.204 176.117 -0.698 0.000 1.014 366 I CA -0.716 60.166 61.300 -0.696 0.000 1.093 366 I CB 1.398 38.987 38.000 -0.685 0.000 1.267 366 I HN 0.586 nan 8.210 nan 0.000 0.431 367 Y N 2.141 122.355 120.300 -0.143 0.000 2.499 367 Y HA 0.616 5.166 4.550 -0.000 0.000 0.347 367 Y C 0.949 176.801 175.900 -0.080 0.000 0.987 367 Y CA -0.735 57.300 58.100 -0.109 0.000 1.044 367 Y CB 2.206 40.604 38.460 -0.103 0.000 1.245 367 Y HN 0.772 nan 8.280 nan 0.000 0.461 368 G N 1.303 110.154 108.800 0.084 0.000 2.132 368 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.234 368 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.234 368 G C -0.278 174.607 174.900 -0.025 0.000 0.989 368 G CA -0.419 44.697 45.100 0.026 0.000 0.676 368 G HN 0.455 nan 8.290 nan 0.000 0.522 369 M N 1.377 120.944 119.600 -0.056 0.000 2.235 369 M HA 0.517 4.997 4.480 -0.000 0.000 0.351 369 M C 0.995 177.212 176.300 -0.139 0.000 1.178 369 M CA 0.584 55.834 55.300 -0.084 0.000 1.143 369 M CB 1.113 33.659 32.600 -0.090 0.000 1.530 369 M HN 0.461 nan 8.290 nan 0.000 0.461 370 T N -1.844 112.627 114.554 -0.140 0.000 2.858 370 T HA 0.494 4.844 4.350 -0.000 0.000 0.285 370 T C 0.440 175.040 174.700 -0.168 0.000 1.052 370 T CA -0.813 61.165 62.100 -0.203 0.000 1.009 370 T CB 0.729 69.536 68.868 -0.101 0.000 1.241 370 T HN 0.399 nan 8.240 nan 0.000 0.542 371 F N 1.035 120.985 119.950 0.000 0.000 2.333 371 F HA 0.071 4.598 4.527 -0.000 0.000 0.300 371 F C 2.597 178.408 175.800 0.018 0.000 1.083 371 F CA 0.831 58.836 58.000 0.009 0.000 1.395 371 F CB -0.633 38.371 39.000 0.007 0.000 1.056 371 F HN 0.684 nan 8.300 nan 0.000 0.529 372 N N 0.062 118.862 118.700 0.167 0.000 2.453 372 N HA -0.106 4.634 4.740 -0.000 0.000 0.183 372 N C 0.144 175.712 175.510 0.097 0.000 1.041 372 N CA 0.580 53.694 53.050 0.107 0.000 0.900 372 N CB -0.004 38.511 38.487 0.047 0.000 0.961 372 N HN 0.120 nan 8.380 nan 0.000 0.443 373 T N 1.432 116.022 114.554 0.061 0.000 2.916 373 T HA 0.119 4.469 4.350 -0.000 0.000 0.303 373 T C -0.057 174.796 174.700 0.256 0.000 1.025 373 T CA 0.324 62.494 62.100 0.117 0.000 1.142 373 T CB 1.328 70.222 68.868 0.042 0.000 0.947 373 T HN 0.155 nan 8.240 nan 0.000 0.544 374 E N 1.095 121.578 120.200 0.471 0.000 2.339 374 E HA 0.353 4.703 4.350 -0.000 0.000 0.262 374 E C 1.033 177.708 176.600 0.125 0.000 0.934 374 E CA -1.069 55.457 56.400 0.210 0.000 0.802 374 E CB 1.653 31.400 29.700 0.078 0.000 1.275 374 E HN 0.437 nan 8.360 nan 0.000 0.427 375 R N 0.171 120.705 120.500 0.057 0.000 2.119 375 R HA -0.169 4.171 4.340 -0.000 0.000 0.246 375 R C 2.120 178.432 176.300 0.021 0.000 1.146 375 R CA 1.818 57.947 56.100 0.048 0.000 0.962 375 R CB -0.318 29.994 30.300 0.020 0.000 0.863 375 R HN 0.322 nan 8.270 nan 0.000 0.442 376 S N -0.253 115.396 115.700 -0.085 0.000 2.399 376 S HA -0.108 4.362 4.470 -0.000 0.000 0.231 376 S C 1.633 176.154 174.600 -0.130 0.000 1.022 376 S CA 0.894 59.011 58.200 -0.139 0.000 0.983 376 S CB -0.252 62.807 63.200 -0.235 0.000 0.803 376 S HN 0.415 nan 8.310 nan 0.000 0.480 377 H N 0.872 119.980 119.070 0.064 0.000 2.389 377 H HA 0.087 4.643 4.556 -0.000 0.000 0.299 377 H C 2.117 177.511 175.328 0.111 0.000 1.081 377 H CA 1.042 57.133 56.048 0.072 0.000 1.345 377 H CB -0.411 29.390 29.762 0.065 0.000 1.393 377 H HN 0.390 nan 8.280 nan 0.000 0.520 378 I N 0.259 120.973 120.570 0.240 0.000 2.252 378 I HA -0.210 3.960 4.170 -0.000 0.000 0.245 378 I C 2.499 178.815 176.117 0.332 0.000 1.102 378 I CA 0.630 62.103 61.300 0.287 0.000 1.385 378 I CB -0.225 37.919 38.000 0.241 0.000 1.064 378 I HN -0.014 nan 8.210 nan 0.000 0.414 379 V N 1.030 121.065 119.914 0.202 0.000 2.287 379 V HA -0.311 3.809 4.120 -0.000 0.000 0.248 379 V C 2.642 178.785 176.094 0.081 0.000 1.053 379 V CA 2.213 64.590 62.300 0.128 0.000 1.027 379 V CB -0.831 31.027 31.823 0.059 0.000 0.646 379 V HN 0.447 nan 8.190 nan 0.000 0.447 380 R N 0.247 120.788 120.500 0.070 0.000 2.092 380 R HA -0.111 4.229 4.340 -0.000 0.000 0.231 380 R C 2.271 178.598 176.300 0.046 0.000 1.119 380 R CA 1.474 57.588 56.100 0.022 0.000 0.970 380 R CB -0.413 29.893 30.300 0.011 0.000 0.864 380 R HN 0.472 nan 8.270 nan 0.000 0.440 381 A N 1.447 124.363 122.820 0.159 0.000 1.902 381 A HA -0.178 4.142 4.320 -0.000 0.000 0.217 381 A C 2.142 179.857 177.584 0.218 0.000 1.181 381 A CA 1.376 53.559 52.037 0.243 0.000 0.623 381 A CB -0.660 18.551 19.000 0.351 0.000 0.818 381 A HN 0.455 nan 8.150 nan 0.000 0.443 382 L N -0.422 120.873 121.223 0.120 0.000 2.042 382 L HA -0.175 4.164 4.340 -0.000 0.000 0.210 382 L C 2.399 179.234 176.870 -0.058 0.000 1.076 382 L CA 1.585 56.310 54.840 -0.192 0.000 0.749 382 L CB -0.228 41.578 42.059 -0.422 0.000 0.893 382 L HN 0.439 nan 8.230 nan 0.000 0.432 383 L N -0.703 120.509 121.223 -0.018 0.000 2.056 383 L HA -0.203 4.137 4.340 -0.000 0.000 0.207 383 L C 2.526 179.459 176.870 0.105 0.000 1.078 383 L CA 1.387 56.253 54.840 0.042 0.000 0.749 383 L CB -0.668 41.380 42.059 -0.019 0.000 0.901 383 L HN 0.313 nan 8.230 nan 0.000 0.433 384 E N 0.210 120.379 120.200 -0.053 0.000 2.110 384 E HA -0.177 4.173 4.350 -0.000 0.000 0.193 384 E C 2.244 178.854 176.600 0.017 0.000 0.988 384 E CA 1.016 57.308 56.400 -0.179 0.000 0.804 384 E CB -0.313 29.249 29.700 -0.230 0.000 0.745 384 E HN 0.577 nan 8.360 nan 0.000 0.458 385 G N 1.559 110.451 108.800 0.154 0.000 2.450 385 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.220 385 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.220 385 G C 1.582 176.414 174.900 -0.112 0.000 1.130 385 G CA 0.654 45.803 45.100 0.082 0.000 0.760 385 G HN 0.142 nan 8.290 nan 0.000 0.557 386 I N 1.310 121.875 120.570 -0.008 0.000 2.163 386 I HA -0.219 3.951 4.170 -0.000 0.000 0.243 386 I C 3.297 179.369 176.117 -0.075 0.000 1.085 386 I CA 1.165 62.478 61.300 0.022 0.000 1.347 386 I CB -0.319 37.815 38.000 0.223 0.000 1.044 386 I HN 0.245 nan 8.210 nan 0.000 0.408 387 A N 0.703 123.449 122.820 -0.124 0.000 1.902 387 A HA -0.180 4.140 4.320 -0.000 0.000 0.217 387 A C 2.077 179.400 177.584 -0.434 0.000 1.181 387 A CA 1.466 53.336 52.037 -0.278 0.000 0.623 387 A CB -0.921 17.923 19.000 -0.259 0.000 0.818 387 A HN 0.314 nan 8.150 nan 0.000 0.443 388 F N 0.253 119.909 119.950 -0.490 0.000 2.134 388 F HA -0.187 4.339 4.527 -0.000 0.000 0.299 388 F C 2.733 178.112 175.800 -0.700 0.000 1.097 388 F CA 1.728 59.196 58.000 -0.887 0.000 1.264 388 F CB -0.741 37.024 39.000 -2.059 0.000 1.001 388 F HN 0.296 nan 8.300 nan 0.000 0.479 389 Q N -0.425 119.140 119.800 -0.390 0.000 2.050 389 Q HA -0.210 4.130 4.340 -0.000 0.000 0.202 389 Q C 2.274 178.208 176.000 -0.111 0.000 0.980 389 Q CA 1.429 57.160 55.803 -0.120 0.000 0.840 389 Q CB -0.602 28.097 28.738 -0.065 0.000 0.898 389 Q HN 0.321 nan 8.270 nan 0.000 0.424 390 L N 1.590 122.722 121.223 -0.152 0.000 2.043 390 L HA -0.241 4.098 4.340 -0.000 0.000 0.212 390 L C 1.920 178.723 176.870 -0.112 0.000 1.075 390 L CA 1.937 56.695 54.840 -0.137 0.000 0.752 390 L CB -0.714 41.255 42.059 -0.150 0.000 0.891 390 L HN 0.204 nan 8.230 nan 0.000 0.432 391 N N -0.173 118.447 118.700 -0.133 0.000 2.104 391 N HA -0.231 4.509 4.740 -0.000 0.000 0.190 391 N C 1.757 177.250 175.510 -0.028 0.000 1.024 391 N CA 1.900 54.896 53.050 -0.089 0.000 0.853 391 N CB -0.104 38.323 38.487 -0.099 0.000 1.008 391 N HN 0.535 nan 8.380 nan 0.000 0.424 392 E N -0.333 119.867 120.200 -0.001 0.000 2.110 392 E HA -0.141 4.209 4.350 -0.000 0.000 0.193 392 E C 2.041 178.655 176.600 0.024 0.000 0.988 392 E CA 0.926 57.352 56.400 0.043 0.000 0.804 392 E CB -0.089 29.667 29.700 0.095 0.000 0.745 392 E HN 0.490 nan 8.360 nan 0.000 0.458 393 I N 0.656 121.225 120.570 -0.002 0.000 2.179 393 I HA -0.256 3.914 4.170 -0.000 0.000 0.242 393 I C 2.374 178.494 176.117 0.005 0.000 1.088 393 I CA 0.807 62.108 61.300 0.003 0.000 1.357 393 I CB -0.219 37.767 38.000 -0.024 0.000 1.051 393 I HN -0.024 nan 8.210 nan 0.000 0.409 394 V N 0.501 120.405 119.914 -0.017 0.000 2.332 394 V HA -0.348 3.772 4.120 -0.000 0.000 0.248 394 V C 2.255 178.346 176.094 -0.005 0.000 1.055 394 V CA 2.088 64.377 62.300 -0.018 0.000 1.038 394 V CB -0.685 31.115 31.823 -0.039 0.000 0.651 394 V HN 0.489 nan 8.190 nan 0.000 0.450 395 D N -0.136 120.266 120.400 0.003 0.000 2.117 395 D HA -0.134 4.506 4.640 -0.000 0.000 0.197 395 D C 2.392 178.708 176.300 0.026 0.000 0.987 395 D CA 1.692 55.701 54.000 0.015 0.000 0.829 395 D CB 0.125 40.940 40.800 0.026 0.000 0.961 395 D HN 0.431 nan 8.370 nan 0.000 0.460 396 S N 0.388 116.111 115.700 0.038 0.000 2.368 396 S HA -0.128 4.342 4.470 -0.000 0.000 0.225 396 S C 2.004 176.631 174.600 0.045 0.000 1.030 396 S CA 0.445 58.677 58.200 0.053 0.000 0.999 396 S CB -0.172 63.074 63.200 0.076 0.000 0.844 396 S HN 0.335 nan 8.310 nan 0.000 0.459 397 L N 1.566 122.809 121.223 0.034 0.000 2.027 397 L HA -0.145 4.195 4.340 -0.000 0.000 0.206 397 L C 2.638 179.517 176.870 0.016 0.000 1.074 397 L CA 1.945 56.802 54.840 0.028 0.000 0.745 397 L CB -0.964 41.106 42.059 0.019 0.000 0.898 397 L HN 0.487 nan 8.230 nan 0.000 0.433 398 T N -3.491 111.067 114.554 0.006 0.000 2.746 398 T HA -0.137 4.213 4.350 -0.000 0.000 0.267 398 T C 1.916 176.619 174.700 0.005 0.000 1.039 398 T CA 1.431 63.528 62.100 -0.005 0.000 1.142 398 T CB -0.668 68.191 68.868 -0.015 0.000 0.866 398 T HN 0.400 nan 8.240 nan 0.000 0.444 399 S N 1.954 117.663 115.700 0.015 0.000 2.353 399 S HA -0.138 4.332 4.470 -0.000 0.000 0.222 399 S C 1.899 176.513 174.600 0.024 0.000 1.035 399 S CA 1.453 59.666 58.200 0.022 0.000 1.025 399 S CB -0.673 62.546 63.200 0.031 0.000 0.902 399 S HN 0.535 nan 8.310 nan 0.000 0.440 400 D N 0.826 121.244 120.400 0.030 0.000 2.178 400 D HA -0.025 4.615 4.640 -0.000 0.000 0.201 400 D C 1.595 177.907 176.300 0.020 0.000 0.980 400 D CA 0.920 54.938 54.000 0.031 0.000 0.842 400 D CB -0.134 40.689 40.800 0.038 0.000 0.948 400 D HN 0.279 nan 8.370 nan 0.000 0.472 401 M N -1.058 118.551 119.600 0.015 0.000 2.541 401 M HA 0.157 4.637 4.480 -0.000 0.000 0.252 401 M C 1.114 177.418 176.300 0.007 0.000 1.125 401 M CA 0.415 55.721 55.300 0.010 0.000 1.091 401 M CB -0.237 32.368 32.600 0.008 0.000 1.420 401 M HN 0.058 nan 8.290 nan 0.000 0.486 402 G N 3.056 111.861 108.800 0.007 0.000 2.256 402 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.272 402 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.272 402 G C 0.056 174.955 174.900 -0.001 0.000 1.076 402 G CA 0.564 45.667 45.100 0.006 0.000 0.882 402 G HN 0.592 nan 8.290 nan 0.000 0.497 403 I N -5.205 115.359 120.570 -0.010 0.000 3.002 403 I HA 0.780 4.950 4.170 -0.000 0.000 0.310 403 I C 0.651 176.748 176.117 -0.034 0.000 1.087 403 I CA -1.374 59.910 61.300 -0.027 0.000 1.017 403 I CB 1.629 39.601 38.000 -0.047 0.000 1.226 403 I HN -0.165 nan 8.210 nan 0.000 0.443 404 E N 2.180 122.352 120.200 -0.048 0.000 2.250 404 E HA 0.139 4.489 4.350 -0.000 0.000 0.192 404 E C -0.195 176.370 176.600 -0.059 0.000 0.986 404 E CA 1.072 57.447 56.400 -0.043 0.000 0.849 404 E CB 0.329 30.008 29.700 -0.035 0.000 0.797 404 E HN 0.743 nan 8.360 nan 0.000 0.482 405 M N -1.734 117.806 119.600 -0.102 0.000 2.562 405 M HA 0.372 4.852 4.480 -0.000 0.000 0.281 405 M C -1.249 174.945 176.300 -0.178 0.000 1.195 405 M CA -0.481 54.751 55.300 -0.114 0.000 0.888 405 M CB 1.580 34.118 32.600 -0.103 0.000 1.731 405 M HN -0.260 nan 8.290 nan 0.000 0.493 406 L N 3.302 124.451 121.223 -0.122 0.000 2.331 406 L HA 0.347 4.687 4.340 -0.000 0.000 0.278 406 L C 1.106 177.905 176.870 -0.119 0.000 1.106 406 L CA -0.343 54.429 54.840 -0.113 0.000 0.824 406 L CB 0.748 42.782 42.059 -0.042 0.000 1.142 406 L HN 0.793 nan 8.230 nan 0.000 0.443 407 H N 2.582 121.659 119.070 0.011 0.000 2.321 407 H HA 0.008 4.564 4.556 -0.000 0.000 0.300 407 H C 0.133 175.466 175.328 0.007 0.000 1.087 407 H CA 1.173 57.231 56.048 0.016 0.000 1.319 407 H CB 0.469 30.241 29.762 0.016 0.000 1.379 407 H HN 0.314 nan 8.280 nan 0.000 0.501 408 V N 0.380 120.361 119.914 0.111 0.000 3.048 408 V HA 0.315 4.435 4.120 -0.000 0.000 0.303 408 V C -1.707 174.400 176.094 0.021 0.000 1.214 408 V CA -0.910 61.413 62.300 0.040 0.000 0.984 408 V CB 2.715 34.558 31.823 0.034 0.000 1.054 408 V HN 0.063 nan 8.190 nan 0.000 0.430 409 L N 5.985 127.208 121.223 0.001 0.000 2.319 409 L HA 0.663 5.003 4.340 -0.000 0.000 0.281 409 L C 0.015 176.895 176.870 0.016 0.000 1.005 409 L CA -0.059 54.785 54.840 0.007 0.000 0.828 409 L CB 1.443 43.501 42.059 -0.002 0.000 1.227 409 L HN 0.674 nan 8.230 nan 0.000 0.415 410 R N 4.163 124.674 120.500 0.018 0.000 2.265 410 R HA 0.510 4.850 4.340 -0.000 0.000 0.314 410 R C -1.013 175.318 176.300 0.053 0.000 1.053 410 R CA -0.429 55.685 56.100 0.024 0.000 0.931 410 R CB 0.709 31.010 30.300 0.003 0.000 1.024 410 R HN 0.615 nan 8.270 nan 0.000 0.457 411 C N 2.362 121.713 119.300 0.084 0.000 2.529 411 C HA 0.545 5.005 4.460 -0.000 0.000 0.329 411 C C -0.392 174.685 174.990 0.145 0.000 1.194 411 C CA -0.715 58.398 59.018 0.158 0.000 1.779 411 C CB 1.520 29.401 27.740 0.235 0.000 2.322 411 C HN 0.880 nan 8.230 nan 0.000 0.500 412 D N 0.214 120.735 120.400 0.202 0.000 2.602 412 D HA 0.620 5.260 4.640 -0.000 0.000 0.236 412 D C -0.596 175.839 176.300 0.225 0.000 1.209 412 D CA -0.107 53.991 54.000 0.163 0.000 0.831 412 D CB 2.000 42.870 40.800 0.117 0.000 1.478 412 D HN 1.184 nan 8.370 nan 0.000 0.438 413 G N -1.103 107.797 108.800 0.165 0.000 2.375 413 G HA2 0.296 4.256 3.960 -0.000 0.000 0.663 413 G HA3 0.296 4.256 3.960 -0.000 0.000 0.663 413 G C 0.572 175.540 174.900 0.113 0.000 1.391 413 G CA -0.068 45.135 45.100 0.172 0.000 0.949 413 G HN 0.777 nan 8.290 nan 0.000 0.646 414 G N -0.224 108.633 108.800 0.095 0.000 2.442 414 G HA2 -0.126 3.834 3.960 -0.000 0.000 0.219 414 G HA3 -0.126 3.834 3.960 -0.000 0.000 0.219 414 G C 1.929 176.830 174.900 0.001 0.000 1.141 414 G CA 1.673 46.803 45.100 0.050 0.000 0.763 414 G HN 0.749 nan 8.290 nan 0.000 0.554 415 M N 1.474 121.056 119.600 -0.031 0.000 2.426 415 M HA -0.091 4.389 4.480 -0.000 0.000 0.261 415 M C 2.639 178.878 176.300 -0.101 0.000 1.068 415 M CA 1.647 56.858 55.300 -0.147 0.000 1.066 415 M CB -0.550 31.897 32.600 -0.254 0.000 1.399 415 M HN 0.423 nan 8.290 nan 0.000 0.449 416 T N -2.739 111.765 114.554 -0.083 0.000 3.088 416 T HA 0.031 4.381 4.350 -0.000 0.000 0.259 416 T C 1.498 176.192 174.700 -0.010 0.000 1.122 416 T CA 0.310 62.348 62.100 -0.103 0.000 1.095 416 T CB -0.039 68.808 68.868 -0.036 0.000 0.930 416 T HN 0.161 nan 8.240 nan 0.000 0.508 417 K N 1.869 122.276 120.400 0.012 0.000 2.432 417 K HA 0.129 4.449 4.320 -0.000 0.000 0.196 417 K C 0.810 177.442 176.600 0.054 0.000 1.038 417 K CA 0.073 56.387 56.287 0.046 0.000 0.986 417 K CB -0.476 32.044 32.500 0.033 0.000 0.782 417 K HN 0.413 nan 8.250 nan 0.000 0.485 418 N N 2.230 120.946 118.700 0.027 0.000 2.469 418 N HA 0.040 4.780 4.740 -0.000 0.000 0.239 418 N C 0.431 175.976 175.510 0.059 0.000 1.053 418 N CA 0.120 53.193 53.050 0.038 0.000 0.937 418 N CB 0.672 39.159 38.487 -0.001 0.000 1.163 418 N HN -0.038 nan 8.380 nan 0.000 0.509 419 K N 3.388 123.852 120.400 0.107 0.000 2.025 419 K HA -0.057 4.263 4.320 -0.000 0.000 0.207 419 K C -0.987 175.673 176.600 0.101 0.000 1.049 419 K CA 1.238 57.642 56.287 0.195 0.000 0.933 419 K CB -0.752 31.908 32.500 0.266 0.000 0.714 419 K HN 0.428 nan 8.250 nan 0.000 0.438 420 P HA -0.155 nan 4.420 nan 0.000 0.218 420 P C 1.254 178.592 177.300 0.064 0.000 1.149 420 P CA 0.965 64.114 63.100 0.081 0.000 0.817 420 P CB -0.046 31.698 31.700 0.075 0.000 0.785 421 F N 0.031 119.916 119.950 -0.108 0.000 2.084 421 F HA -0.160 4.367 4.527 -0.000 0.000 0.296 421 F C 2.048 177.708 175.800 -0.233 0.000 1.111 421 F CA 1.616 59.526 58.000 -0.149 0.000 1.224 421 F CB -0.746 38.142 39.000 -0.187 0.000 0.991 421 F HN -0.265 nan 8.300 nan 0.000 0.471 422 M N 0.063 119.355 119.600 -0.514 0.000 2.159 422 M HA -0.205 4.275 4.480 -0.000 0.000 0.263 422 M C 2.193 177.996 176.300 -0.828 0.000 1.063 422 M CA 1.490 56.229 55.300 -0.936 0.000 1.110 422 M CB -1.561 30.167 32.600 -1.453 0.000 1.374 422 M HN 0.302 nan 8.290 nan 0.000 0.411 423 Q N -0.116 119.383 119.800 -0.501 0.000 2.119 423 Q HA -0.112 4.227 4.340 -0.000 0.000 0.201 423 Q C 1.912 177.830 176.000 -0.137 0.000 0.972 423 Q CA 1.478 57.197 55.803 -0.141 0.000 0.847 423 Q CB -0.561 28.238 28.738 0.101 0.000 0.903 423 Q HN 0.418 nan 8.270 nan 0.000 0.433 424 F N 0.720 120.502 119.950 -0.279 0.000 2.134 424 F HA -0.194 4.333 4.527 -0.000 0.000 0.299 424 F C 1.794 177.364 175.800 -0.385 0.000 1.097 424 F CA 1.756 59.583 58.000 -0.289 0.000 1.264 424 F CB -0.324 38.510 39.000 -0.276 0.000 1.001 424 F HN 0.199 nan 8.300 nan 0.000 0.479 425 N N -0.513 117.926 118.700 -0.435 0.000 2.043 425 N HA -0.243 4.497 4.740 -0.000 0.000 0.193 425 N C 2.117 177.399 175.510 -0.380 0.000 1.037 425 N CA 1.741 54.507 53.050 -0.475 0.000 0.851 425 N CB -0.626 37.542 38.487 -0.532 0.000 1.027 425 N HN 0.299 nan 8.380 nan 0.000 0.422 426 S N 0.985 116.498 115.700 -0.311 0.000 2.382 426 S HA -0.135 4.335 4.470 -0.000 0.000 0.228 426 S C 1.255 175.744 174.600 -0.185 0.000 1.027 426 S CA 1.292 59.381 58.200 -0.186 0.000 0.991 426 S CB -0.186 62.969 63.200 -0.075 0.000 0.823 426 S HN 0.184 nan 8.310 nan 0.000 0.469 427 D N 1.348 121.599 120.400 -0.248 0.000 2.092 427 D HA -0.076 4.564 4.640 -0.000 0.000 0.193 427 D C 1.934 178.030 176.300 -0.341 0.000 0.994 427 D CA 1.146 54.983 54.000 -0.271 0.000 0.828 427 D CB -0.331 40.264 40.800 -0.341 0.000 0.963 427 D HN 0.363 nan 8.370 nan 0.000 0.450 428 I N 1.091 121.334 120.570 -0.544 0.000 2.353 428 I HA -0.100 4.069 4.170 -0.000 0.000 0.248 428 I C 2.412 178.350 176.117 -0.299 0.000 1.119 428 I CA 0.646 61.639 61.300 -0.511 0.000 1.417 428 I CB -0.837 36.642 38.000 -0.869 0.000 1.078 428 I HN 0.118 nan 8.210 nan 0.000 0.421 429 I N -1.059 119.353 120.570 -0.264 0.000 3.578 429 I HA 0.078 4.248 4.170 -0.000 0.000 0.295 429 I C 0.687 176.736 176.117 -0.114 0.000 1.280 429 I CA 0.283 61.483 61.300 -0.167 0.000 1.347 429 I CB -0.553 37.356 38.000 -0.152 0.000 1.051 429 I HN 0.156 nan 8.210 nan 0.000 0.460 430 N N 2.208 120.837 118.700 -0.120 0.000 2.698 430 N HA -0.179 4.561 4.740 -0.000 0.000 0.258 430 N C -1.083 174.406 175.510 -0.035 0.000 0.978 430 N CA 1.317 54.327 53.050 -0.067 0.000 0.777 430 N CB -1.106 37.350 38.487 -0.052 0.000 0.907 430 N HN 0.653 nan 8.380 nan 0.000 0.543 431 T N 0.624 115.152 114.554 -0.043 0.000 2.952 431 T HA 0.226 4.576 4.350 -0.000 0.000 0.305 431 T C -0.271 174.398 174.700 -0.051 0.000 1.064 431 T CA -0.850 61.230 62.100 -0.033 0.000 1.008 431 T CB 1.798 70.637 68.868 -0.048 0.000 1.078 431 T HN 0.291 nan 8.240 nan 0.000 0.459 432 K N 2.966 123.320 120.400 -0.078 0.000 2.448 432 K HA 0.336 4.656 4.320 -0.000 0.000 0.278 432 K C -0.801 175.719 176.600 -0.134 0.000 1.009 432 K CA 0.006 56.140 56.287 -0.255 0.000 0.995 432 K CB 0.295 32.606 32.500 -0.314 0.000 0.917 432 K HN 0.517 nan 8.250 nan 0.000 0.481 433 I N 3.644 124.155 120.570 -0.099 0.000 2.406 433 I HA 0.173 4.343 4.170 -0.000 0.000 0.290 433 I C -0.551 175.593 176.117 0.044 0.000 0.999 433 I CA -0.625 60.677 61.300 0.004 0.000 1.124 433 I CB 1.893 39.907 38.000 0.024 0.000 1.289 433 I HN 0.685 nan 8.210 nan 0.000 0.441 434 E N 5.969 126.187 120.200 0.030 0.000 2.165 434 E HA 0.455 4.805 4.350 -0.000 0.000 0.266 434 E C -1.530 175.100 176.600 0.050 0.000 0.889 434 E CA -0.642 55.775 56.400 0.029 0.000 0.756 434 E CB 1.812 31.506 29.700 -0.011 0.000 1.131 434 E HN 0.326 nan 8.360 nan 0.000 0.411 435 V N 3.883 123.840 119.914 0.072 0.000 2.432 435 V HA 0.151 4.271 4.120 -0.000 0.000 0.275 435 V C 0.500 176.593 176.094 -0.001 0.000 1.043 435 V CA -0.504 61.836 62.300 0.066 0.000 0.925 435 V CB 1.240 33.141 31.823 0.131 0.000 0.985 435 V HN 0.747 nan 8.190 nan 0.000 0.466 436 S N 3.447 119.141 115.700 -0.010 0.000 2.558 436 S HA 0.028 4.498 4.470 -0.000 0.000 0.288 436 S C 1.302 175.804 174.600 -0.163 0.000 1.318 436 S CA -0.113 58.038 58.200 -0.081 0.000 1.056 436 S CB 0.448 63.642 63.200 -0.010 0.000 0.853 436 S HN 0.837 nan 8.310 nan 0.000 0.505 437 K N 3.109 123.283 120.400 -0.377 0.000 2.209 437 K HA -0.060 4.260 4.320 -0.000 0.000 0.204 437 K C -0.484 175.881 176.600 -0.392 0.000 1.048 437 K CA 1.236 57.244 56.287 -0.466 0.000 0.940 437 K CB -0.090 31.998 32.500 -0.687 0.000 0.729 437 K HN 0.659 nan 8.250 nan 0.000 0.451 438 Y N 0.623 120.936 120.300 0.022 0.000 2.323 438 Y HA 0.245 4.795 4.550 -0.000 0.000 0.331 438 Y C 0.779 176.697 175.900 0.029 0.000 1.092 438 Y CA -0.930 57.186 58.100 0.026 0.000 1.150 438 Y CB 1.497 39.963 38.460 0.010 0.000 1.200 438 Y HN -0.187 nan 8.280 nan 0.000 0.472 439 K N 0.890 121.406 120.400 0.194 0.000 2.323 439 K HA 0.078 4.398 4.320 -0.000 0.000 0.197 439 K C -0.221 176.445 176.600 0.109 0.000 1.043 439 K CA 0.640 57.005 56.287 0.129 0.000 0.997 439 K CB 0.523 33.095 32.500 0.120 0.000 0.807 439 K HN 0.557 nan 8.250 nan 0.000 0.497 440 E N 1.688 121.932 120.200 0.074 0.000 3.786 440 E HA 0.016 4.366 4.350 -0.000 0.000 0.215 440 E C 0.876 177.429 176.600 -0.079 0.000 1.188 440 E CA 0.030 56.409 56.400 -0.035 0.000 1.248 440 E CB 1.226 30.800 29.700 -0.211 0.000 1.260 440 E HN 0.024 nan 8.360 nan 0.000 0.426 441 V N -1.470 118.449 119.914 0.009 0.000 2.594 441 V HA -0.194 3.926 4.120 -0.000 0.000 0.253 441 V C 1.833 177.891 176.094 -0.061 0.000 1.069 441 V CA 1.760 64.056 62.300 -0.006 0.000 1.082 441 V CB -0.804 31.049 31.823 0.050 0.000 0.680 441 V HN 0.190 nan 8.190 nan 0.000 0.469 442 T N 2.024 116.549 114.554 -0.048 0.000 2.684 442 T HA -0.188 4.162 4.350 -0.000 0.000 0.267 442 T C 2.180 176.818 174.700 -0.103 0.000 1.036 442 T CA 2.509 64.576 62.100 -0.055 0.000 1.148 442 T CB -0.548 68.311 68.868 -0.014 0.000 0.863 442 T HN 0.904 nan 8.240 nan 0.000 0.436 443 S N 1.516 117.113 115.700 -0.171 0.000 2.383 443 S HA -0.024 4.446 4.470 -0.000 0.000 0.227 443 S C 2.047 176.524 174.600 -0.204 0.000 1.026 443 S CA 0.619 58.701 58.200 -0.197 0.000 0.981 443 S CB -0.709 62.129 63.200 -0.603 0.000 0.818 443 S HN 0.243 nan 8.310 nan 0.000 0.472 444 L N 2.836 123.901 121.223 -0.264 0.000 2.012 444 L HA 0.110 4.450 4.340 -0.000 0.000 0.210 444 L C 2.553 179.221 176.870 -0.337 0.000 1.073 444 L CA 2.024 56.602 54.840 -0.437 0.000 0.748 444 L CB -1.483 40.370 42.059 -0.343 0.000 0.891 444 L HN 0.409 nan 8.230 nan 0.000 0.431 445 G N -1.222 107.454 108.800 -0.206 0.000 2.469 445 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.219 445 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.219 445 G C 1.588 176.392 174.900 -0.160 0.000 1.150 445 G CA 0.952 45.959 45.100 -0.155 0.000 0.763 445 G HN 0.642 nan 8.290 nan 0.000 0.561 446 A N 0.926 123.658 122.820 -0.147 0.000 1.930 446 A HA 0.363 4.683 4.320 -0.000 0.000 0.217 446 A C 2.797 180.311 177.584 -0.117 0.000 1.175 446 A CA 2.042 54.005 52.037 -0.122 0.000 0.627 446 A CB -0.653 18.294 19.000 -0.087 0.000 0.815 446 A HN 0.764 nan 8.150 nan 0.000 0.443 447 A N -0.384 122.334 122.820 -0.168 0.000 1.877 447 A HA -0.001 4.319 4.320 -0.000 0.000 0.216 447 A C 2.221 179.788 177.584 -0.028 0.000 1.186 447 A CA 1.763 53.709 52.037 -0.152 0.000 0.620 447 A CB -0.987 17.722 19.000 -0.486 0.000 0.822 447 A HN 0.368 nan 8.150 nan 0.000 0.443 448 V N 0.291 120.142 119.914 -0.106 0.000 2.255 448 V HA -0.304 3.816 4.120 -0.000 0.000 0.247 448 V C 2.603 178.705 176.094 0.013 0.000 1.051 448 V CA 2.141 64.428 62.300 -0.023 0.000 1.018 448 V CB -0.906 30.814 31.823 -0.173 0.000 0.641 448 V HN 0.579 nan 8.190 nan 0.000 0.445 449 L N 0.035 121.169 121.223 -0.147 0.000 2.012 449 L HA -0.219 4.121 4.340 -0.000 0.000 0.210 449 L C 2.744 179.558 176.870 -0.093 0.000 1.073 449 L CA 1.839 56.539 54.840 -0.233 0.000 0.748 449 L CB -0.876 41.020 42.059 -0.272 0.000 0.891 449 L HN 0.379 nan 8.230 nan 0.000 0.431 450 A N 0.128 122.922 122.820 -0.043 0.000 1.902 450 A HA -0.114 4.206 4.320 -0.000 0.000 0.217 450 A C 2.388 179.954 177.584 -0.031 0.000 1.181 450 A CA 1.768 53.794 52.037 -0.019 0.000 0.623 450 A CB -1.236 17.756 19.000 -0.013 0.000 0.818 450 A HN 0.457 nan 8.150 nan 0.000 0.443 451 G N -0.533 108.259 108.800 -0.012 0.000 2.421 451 G HA2 -0.043 3.917 3.960 -0.000 0.000 0.217 451 G HA3 -0.043 3.917 3.960 -0.000 0.000 0.217 451 G C 1.525 176.332 174.900 -0.155 0.000 1.143 451 G CA 0.822 45.795 45.100 -0.212 0.000 0.784 451 G HN 0.415 nan 8.290 nan 0.000 0.541 452 L N 0.100 121.389 121.223 0.111 0.000 2.093 452 L HA -0.032 4.308 4.340 -0.000 0.000 0.208 452 L C 2.740 179.616 176.870 0.009 0.000 1.085 452 L CA 1.397 56.304 54.840 0.111 0.000 0.755 452 L CB -0.217 41.911 42.059 0.115 0.000 0.904 452 L HN 0.244 nan 8.230 nan 0.000 0.435 453 E N 0.432 120.619 120.200 -0.021 0.000 2.150 453 E HA -0.167 4.183 4.350 -0.000 0.000 0.193 453 E C 1.692 178.266 176.600 -0.043 0.000 0.985 453 E CA 1.408 57.792 56.400 -0.028 0.000 0.814 453 E CB 0.027 29.715 29.700 -0.020 0.000 0.752 453 E HN 0.358 nan 8.360 nan 0.000 0.466 454 V N -2.145 117.727 119.914 -0.070 0.000 3.514 454 V HA 0.254 4.374 4.120 -0.000 0.000 0.301 454 V C -0.166 175.854 176.094 -0.123 0.000 1.346 454 V CA -0.113 62.133 62.300 -0.089 0.000 1.156 454 V CB -0.489 31.279 31.823 -0.092 0.000 1.029 454 V HN 0.101 nan 8.190 nan 0.000 0.428 455 K N -0.244 120.085 120.400 -0.118 0.000 3.125 455 K HA -0.212 4.108 4.320 -0.000 0.000 0.268 455 K C 0.677 177.153 176.600 -0.206 0.000 1.078 455 K CA 1.065 57.289 56.287 -0.106 0.000 0.775 455 K CB -2.530 29.932 32.500 -0.062 0.000 1.253 455 K HN 0.611 nan 8.250 nan 0.000 0.486 456 I N -0.974 119.343 120.570 -0.420 0.000 2.394 456 I HA -0.144 4.026 4.170 -0.000 0.000 0.251 456 I C 1.051 176.769 176.117 -0.666 0.000 1.136 456 I CA 1.286 62.170 61.300 -0.694 0.000 1.425 456 I CB 0.025 37.329 38.000 -1.159 0.000 1.079 456 I HN 0.210 nan 8.210 nan 0.000 0.425 457 W N 0.465 121.753 121.300 -0.020 0.000 2.706 457 W HA 0.230 4.890 4.660 -0.000 0.000 0.346 457 W C 0.852 177.361 176.519 -0.015 0.000 1.071 457 W CA -0.945 56.389 57.345 -0.017 0.000 1.206 457 W CB 0.380 29.827 29.460 -0.021 0.000 1.413 457 W HN -0.114 nan 8.180 nan 0.000 0.542 458 D N 1.228 121.752 120.400 0.206 0.000 2.137 458 D HA -0.163 4.477 4.640 -0.000 0.000 0.189 458 D C 0.998 177.360 176.300 0.103 0.000 0.998 458 D CA 1.998 56.065 54.000 0.112 0.000 0.839 458 D CB 0.014 40.865 40.800 0.085 0.000 0.962 458 D HN 0.239 nan 8.370 nan 0.000 0.446 459 S N -1.506 114.261 115.700 0.112 0.000 2.661 459 S HA 0.353 4.823 4.470 -0.000 0.000 0.285 459 S C 0.596 175.231 174.600 0.058 0.000 1.138 459 S CA -0.882 57.357 58.200 0.065 0.000 0.855 459 S CB 1.903 65.112 63.200 0.015 0.000 1.136 459 S HN 0.040 nan 8.310 nan 0.000 0.484 460 L N 0.917 122.144 121.223 0.007 0.000 2.127 460 L HA -0.040 4.300 4.340 -0.000 0.000 0.211 460 L C 1.786 178.598 176.870 -0.097 0.000 1.089 460 L CA 2.035 56.835 54.840 -0.068 0.000 0.757 460 L CB -0.995 40.969 42.059 -0.159 0.000 0.899 460 L HN 0.842 nan 8.230 nan 0.000 0.434 461 D N -0.784 119.572 120.400 -0.074 0.000 2.182 461 D HA -0.182 4.458 4.640 -0.000 0.000 0.201 461 D C 2.217 178.494 176.300 -0.039 0.000 0.986 461 D CA 1.631 55.602 54.000 -0.049 0.000 0.847 461 D CB 0.171 40.949 40.800 -0.037 0.000 0.942 461 D HN 0.628 nan 8.370 nan 0.000 0.467 462 S N 0.548 116.225 115.700 -0.039 0.000 2.382 462 S HA -0.156 4.314 4.470 -0.000 0.000 0.228 462 S C 2.298 176.814 174.600 -0.140 0.000 1.027 462 S CA 1.526 59.694 58.200 -0.053 0.000 0.991 462 S CB -0.744 62.455 63.200 -0.002 0.000 0.823 462 S HN 0.252 nan 8.310 nan 0.000 0.469 463 V N -0.638 119.134 119.914 -0.236 0.000 3.235 463 V HA 0.217 4.337 4.120 -0.000 0.000 0.259 463 V C 1.992 177.987 176.094 -0.164 0.000 1.133 463 V CA 0.706 62.793 62.300 -0.354 0.000 1.128 463 V CB -0.791 30.621 31.823 -0.685 0.000 0.757 463 V HN 0.308 nan 8.190 nan 0.000 0.469 464 K N 2.201 122.568 120.400 -0.055 0.000 2.152 464 K HA -0.125 4.194 4.320 -0.000 0.000 0.206 464 K C 2.460 179.076 176.600 0.026 0.000 1.048 464 K CA 1.797 58.117 56.287 0.055 0.000 0.933 464 K CB -0.343 32.224 32.500 0.112 0.000 0.721 464 K HN 0.776 nan 8.250 nan 0.000 0.447 465 S N 1.765 117.463 115.700 -0.002 0.000 2.355 465 S HA -0.162 4.308 4.470 -0.000 0.000 0.222 465 S C 2.051 176.668 174.600 0.028 0.000 1.031 465 S CA 0.837 59.042 58.200 0.009 0.000 0.993 465 S CB -0.633 62.567 63.200 0.001 0.000 0.859 465 S HN 0.286 nan 8.310 nan 0.000 0.453 466 L N 1.118 122.347 121.223 0.010 0.000 2.017 466 L HA 0.006 4.346 4.340 -0.000 0.000 0.208 466 L C 2.400 179.361 176.870 0.151 0.000 1.073 466 L CA 1.396 56.271 54.840 0.059 0.000 0.745 466 L CB -0.367 41.661 42.059 -0.051 0.000 0.894 466 L HN 0.311 nan 8.230 nan 0.000 0.432 467 L N -0.587 120.663 121.223 0.044 0.000 2.191 467 L HA -0.182 4.157 4.340 -0.000 0.000 0.212 467 L C 2.520 179.474 176.870 0.139 0.000 1.103 467 L CA 1.059 55.950 54.840 0.084 0.000 0.769 467 L CB -0.469 41.578 42.059 -0.020 0.000 0.908 467 L HN 0.247 nan 8.230 nan 0.000 0.438 468 R N -0.317 120.226 120.500 0.072 0.000 2.299 468 R HA 0.066 4.406 4.340 -0.000 0.000 0.197 468 R C 0.400 176.698 176.300 -0.002 0.000 0.971 468 R CA -0.151 55.959 56.100 0.018 0.000 1.030 468 R CB 0.027 30.328 30.300 0.002 0.000 0.932 468 R HN 0.298 nan 8.270 nan 0.000 0.477 469 R N 1.623 122.127 120.500 0.007 0.000 2.538 469 R HA -0.003 4.337 4.340 -0.000 0.000 0.282 469 R C 0.120 176.300 176.300 -0.199 0.000 1.009 469 R CA 0.469 56.508 56.100 -0.100 0.000 1.063 469 R CB 0.509 30.735 30.300 -0.124 0.000 0.945 469 R HN 0.107 nan 8.270 nan 0.000 0.414 470 S N 0.160 115.778 115.700 -0.138 0.000 2.638 470 S HA 0.323 4.793 4.470 -0.000 0.000 0.302 470 S C -0.091 174.440 174.600 -0.115 0.000 1.096 470 S CA -0.817 57.306 58.200 -0.129 0.000 0.953 470 S CB 2.097 65.252 63.200 -0.074 0.000 1.107 470 S HN 0.690 nan 8.310 nan 0.000 0.503 471 D N -0.628 119.713 120.400 -0.098 0.000 2.514 471 D HA 0.407 5.047 4.640 -0.000 0.000 0.225 471 D C 0.091 176.348 176.300 -0.072 0.000 1.159 471 D CA 0.195 54.147 54.000 -0.080 0.000 0.823 471 D CB 0.436 41.188 40.800 -0.081 0.000 1.097 471 D HN 0.813 nan 8.370 nan 0.000 0.519 472 A N -0.039 122.741 122.820 -0.066 0.000 2.547 472 A HA 0.656 4.976 4.320 -0.000 0.000 0.297 472 A C -1.644 175.867 177.584 -0.122 0.000 1.056 472 A CA -0.653 51.311 52.037 -0.123 0.000 0.688 472 A CB 2.089 21.033 19.000 -0.094 0.000 1.282 472 A HN 0.023 nan 8.150 nan 0.000 0.400 473 V N 1.703 121.468 119.914 -0.249 0.000 2.656 473 V HA 0.623 4.743 4.120 -0.000 0.000 0.307 473 V C -1.253 174.603 176.094 -0.398 0.000 1.051 473 V CA -0.332 61.851 62.300 -0.195 0.000 0.893 473 V CB 1.554 33.298 31.823 -0.131 0.000 0.999 473 V HN 0.742 nan 8.190 nan 0.000 0.426 474 F N 3.374 123.250 119.950 -0.122 0.000 2.480 474 F HA 0.652 5.179 4.527 -0.000 0.000 0.329 474 F C 0.419 176.113 175.800 -0.176 0.000 1.091 474 F CA -0.442 57.498 58.000 -0.100 0.000 0.972 474 F CB 1.486 40.428 39.000 -0.096 0.000 1.150 474 F HN 0.432 nan 8.300 nan 0.000 0.467 475 H N -0.065 119.065 119.070 0.100 0.000 2.834 475 H HA 0.267 4.823 4.556 -0.000 0.000 0.369 475 H C -0.730 174.618 175.328 0.033 0.000 1.174 475 H CA -0.773 55.303 56.048 0.046 0.000 1.165 475 H CB 2.363 32.132 29.762 0.011 0.000 1.820 475 H HN 0.530 nan 8.280 nan 0.000 0.558 476 S N 0.537 116.332 115.700 0.159 0.000 2.533 476 S HA 0.032 4.502 4.470 -0.000 0.000 0.282 476 S C 0.648 175.275 174.600 0.045 0.000 1.304 476 S CA -0.139 58.091 58.200 0.050 0.000 1.063 476 S CB 0.206 63.411 63.200 0.008 0.000 0.881 476 S HN 0.572 nan 8.310 nan 0.000 0.493 477 K N 3.460 123.874 120.400 0.024 0.000 2.373 477 K HA 0.225 4.545 4.320 -0.000 0.000 0.202 477 K C 0.153 176.755 176.600 0.003 0.000 1.025 477 K CA -0.067 56.232 56.287 0.020 0.000 1.115 477 K CB 0.357 32.878 32.500 0.035 0.000 0.858 477 K HN 0.641 nan 8.250 nan 0.000 0.525 478 M N 2.342 121.932 119.600 -0.018 0.000 2.268 478 M HA 0.125 4.605 4.480 -0.000 0.000 0.344 478 M C -1.049 175.239 176.300 -0.020 0.000 1.106 478 M CA -0.674 54.611 55.300 -0.024 0.000 1.010 478 M CB 1.095 33.656 32.600 -0.066 0.000 1.649 478 M HN 0.086 nan 8.290 nan 0.000 0.443 479 D N 1.923 122.318 120.400 -0.007 0.000 2.362 479 D HA 0.021 4.661 4.640 -0.000 0.000 0.242 479 D C 0.422 176.719 176.300 -0.006 0.000 1.132 479 D CA -0.308 53.689 54.000 -0.005 0.000 0.907 479 D CB 0.862 41.663 40.800 0.003 0.000 1.195 479 D HN 0.756 nan 8.370 nan 0.000 0.429 480 D N 0.620 121.017 120.400 -0.005 0.000 2.149 480 D HA -0.291 4.348 4.640 -0.000 0.000 0.198 480 D C 1.727 178.030 176.300 0.005 0.000 0.990 480 D CA 1.461 55.459 54.000 -0.003 0.000 0.839 480 D CB 0.074 40.872 40.800 -0.002 0.000 0.948 480 D HN 0.487 nan 8.370 nan 0.000 0.460 481 K N 0.267 120.672 120.400 0.009 0.000 2.057 481 K HA -0.213 4.106 4.320 -0.000 0.000 0.207 481 K C 2.138 178.752 176.600 0.023 0.000 1.049 481 K CA 1.240 57.536 56.287 0.015 0.000 0.931 481 K CB -0.095 32.413 32.500 0.014 0.000 0.714 481 K HN 0.072 nan 8.250 nan 0.000 0.440 482 K N 0.733 121.147 120.400 0.023 0.000 2.103 482 K HA -0.151 4.169 4.320 -0.000 0.000 0.204 482 K C 2.286 178.912 176.600 0.043 0.000 1.052 482 K CA 0.965 57.274 56.287 0.037 0.000 0.945 482 K CB -0.071 32.449 32.500 0.034 0.000 0.722 482 K HN 0.045 nan 8.250 nan 0.000 0.443 483 R N 0.652 121.162 120.500 0.016 0.000 2.083 483 R HA -0.122 4.218 4.340 -0.000 0.000 0.237 483 R C 1.969 178.300 176.300 0.052 0.000 1.137 483 R CA 1.475 57.581 56.100 0.010 0.000 0.951 483 R CB 0.038 30.321 30.300 -0.029 0.000 0.851 483 R HN -0.027 nan 8.270 nan 0.000 0.434 484 K N 0.986 121.410 120.400 0.040 0.000 2.097 484 K HA -0.142 4.178 4.320 -0.000 0.000 0.205 484 K C 1.907 178.540 176.600 0.055 0.000 1.050 484 K CA 1.242 57.556 56.287 0.045 0.000 0.938 484 K CB -0.243 32.273 32.500 0.028 0.000 0.718 484 K HN 0.243 nan 8.250 nan 0.000 0.442 485 K N 1.363 121.796 120.400 0.055 0.000 2.032 485 K HA -0.164 4.156 4.320 -0.000 0.000 0.209 485 K C 1.909 178.559 176.600 0.082 0.000 1.048 485 K CA 1.576 57.898 56.287 0.057 0.000 0.927 485 K CB 0.063 32.596 32.500 0.055 0.000 0.712 485 K HN 0.002 nan 8.250 nan 0.000 0.441 486 K N -0.220 120.261 120.400 0.135 0.000 2.057 486 K HA -0.090 4.229 4.320 -0.000 0.000 0.206 486 K C 2.219 178.930 176.600 0.184 0.000 1.050 486 K CA 1.822 58.245 56.287 0.226 0.000 0.935 486 K CB -0.163 32.566 32.500 0.383 0.000 0.715 486 K HN 0.430 nan 8.250 nan 0.000 0.439 487 T N -1.434 113.248 114.554 0.212 0.000 2.867 487 T HA -0.101 4.249 4.350 -0.000 0.000 0.268 487 T C 2.146 176.899 174.700 0.087 0.000 1.057 487 T CA 1.550 63.761 62.100 0.185 0.000 1.136 487 T CB -0.191 68.800 68.868 0.206 0.000 0.874 487 T HN 0.013 nan 8.240 nan 0.000 0.466 488 S N 1.281 117.012 115.700 0.052 0.000 2.368 488 S HA -0.153 4.317 4.470 -0.000 0.000 0.225 488 S C 2.079 176.652 174.600 -0.044 0.000 1.030 488 S CA 1.572 59.776 58.200 0.006 0.000 0.999 488 S CB -0.478 62.725 63.200 0.005 0.000 0.844 488 S HN 0.721 nan 8.310 nan 0.000 0.459 489 E N 0.163 120.338 120.200 -0.041 0.000 2.077 489 E HA -0.154 4.196 4.350 -0.000 0.000 0.193 489 E C 1.809 178.316 176.600 -0.155 0.000 0.989 489 E CA 1.247 57.599 56.400 -0.080 0.000 0.800 489 E CB -0.326 29.359 29.700 -0.025 0.000 0.746 489 E HN 0.758 nan 8.360 nan 0.000 0.452 490 W N 1.970 123.005 121.300 -0.442 0.000 2.355 490 W HA -0.179 4.481 4.660 -0.000 0.000 0.309 490 W C 1.340 177.669 176.519 -0.316 0.000 1.206 490 W CA 1.173 58.177 57.345 -0.568 0.000 1.284 490 W CB -0.255 28.498 29.460 -1.177 0.000 1.145 490 W HN 0.055 nan 8.180 nan 0.000 0.502 491 N N 0.927 119.473 118.700 -0.257 0.000 2.166 491 N HA -0.164 4.576 4.740 -0.000 0.000 0.186 491 N C 1.673 176.989 175.510 -0.322 0.000 1.019 491 N CA 1.849 54.738 53.050 -0.269 0.000 0.856 491 N CB -0.588 37.857 38.487 -0.070 0.000 0.993 491 N HN 0.291 nan 8.380 nan 0.000 0.426 492 K N 0.609 120.842 120.400 -0.279 0.000 2.057 492 K HA 0.048 4.368 4.320 -0.000 0.000 0.206 492 K C 2.059 178.403 176.600 -0.425 0.000 1.050 492 K CA 1.088 57.203 56.287 -0.287 0.000 0.935 492 K CB -0.111 32.252 32.500 -0.228 0.000 0.715 492 K HN 0.108 nan 8.250 nan 0.000 0.439 493 A N 1.096 123.592 122.820 -0.539 0.000 1.908 493 A HA -0.143 4.177 4.320 -0.000 0.000 0.218 493 A C 2.372 179.565 177.584 -0.653 0.000 1.181 493 A CA 1.557 53.141 52.037 -0.755 0.000 0.627 493 A CB -0.715 17.916 19.000 -0.614 0.000 0.818 493 A HN 0.074 nan 8.150 nan 0.000 0.445 494 V N -0.106 119.392 119.914 -0.693 0.000 2.358 494 V HA -0.264 3.856 4.120 -0.000 0.000 0.246 494 V C 2.502 178.394 176.094 -0.338 0.000 1.047 494 V CA 2.282 64.244 62.300 -0.563 0.000 1.035 494 V CB -0.754 30.671 31.823 -0.664 0.000 0.658 494 V HN 0.777 nan 8.190 nan 0.000 0.452 495 E N 0.288 120.301 120.200 -0.312 0.000 2.085 495 E HA -0.263 4.087 4.350 -0.000 0.000 0.194 495 E C 2.448 178.935 176.600 -0.188 0.000 0.994 495 E CA 1.454 57.729 56.400 -0.208 0.000 0.801 495 E CB -0.078 29.513 29.700 -0.183 0.000 0.743 495 E HN 0.512 nan 8.360 nan 0.000 0.453 496 R N -0.429 119.916 120.500 -0.258 0.000 2.105 496 R HA -0.114 4.226 4.340 -0.000 0.000 0.239 496 R C 2.425 178.684 176.300 -0.069 0.000 1.135 496 R CA 1.867 57.846 56.100 -0.201 0.000 0.967 496 R CB -0.384 29.688 30.300 -0.380 0.000 0.861 496 R HN 0.202 nan 8.270 nan 0.000 0.442 497 T N 0.962 115.476 114.554 -0.068 0.000 2.867 497 T HA -0.015 4.335 4.350 -0.000 0.000 0.268 497 T C 1.671 176.346 174.700 -0.042 0.000 1.057 497 T CA 0.919 63.020 62.100 0.001 0.000 1.136 497 T CB 0.072 68.923 68.868 -0.028 0.000 0.874 497 T HN 0.157 nan 8.240 nan 0.000 0.466 498 L N -0.111 121.070 121.223 -0.071 0.000 2.590 498 L HA 0.435 4.775 4.340 -0.000 0.000 0.227 498 L C 0.874 177.720 176.870 -0.041 0.000 1.099 498 L CA -0.259 54.548 54.840 -0.054 0.000 0.872 498 L CB 0.105 42.127 42.059 -0.063 0.000 1.088 498 L HN 0.237 nan 8.230 nan 0.000 0.479 499 I N 1.414 121.954 120.570 -0.049 0.000 2.752 499 I HA -0.124 4.046 4.170 -0.000 0.000 0.289 499 I C 0.191 176.293 176.117 -0.024 0.000 1.197 499 I CA 0.220 61.496 61.300 -0.040 0.000 1.432 499 I CB 0.563 38.534 38.000 -0.048 0.000 1.359 499 I HN 0.219 nan 8.210 nan 0.000 0.571 500 Q N 7.394 127.183 119.800 -0.018 0.000 2.314 500 Q HA 0.471 4.811 4.340 -0.000 0.000 0.257 500 Q C -0.948 175.046 176.000 -0.011 0.000 0.975 500 Q CA -0.080 55.717 55.803 -0.010 0.000 0.933 500 Q CB 1.268 30.003 28.738 -0.005 0.000 1.195 500 Q HN 0.587 nan 8.270 nan 0.000 0.426 501 L N 0.000 121.218 121.223 -0.009 0.000 2.949 501 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 501 L CA 0.000 54.835 54.840 -0.008 0.000 0.813 501 L CB 0.000 42.053 42.059 -0.010 0.000 0.961 501 L HN 0.000 nan 8.230 nan 0.000 0.502