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 1dab_1_A DATA FIRST_RESID 1 DATA SEQUENCE DWNNQSIVKT GERQHGIHIQ GSDPGGVRTA SGTTIKVSGR QAQGILLENP DATA SEQUENCE AAELQFRNGS VTSSGQLSDD GIRRFLGTVT VKAGKLVADH ATLANVGDTW DATA SEQUENCE DDDGIALYVA GEQAQASIAD STLQGAGGVQ IERGANVTVQ RSAIVDGGLH DATA SEQUENCE IGALQSLQPE DLPPSRVVLR DTNVTAVPAS GAPAAVSVLG ASELTLDGGH DATA SEQUENCE ITGGRAAGVA AMQGAVVHLQ RATIRRGDAL AGGAVPGGAV PGGAVPGGFG DATA SEQUENCE PGGFGPVLDG WYGVDVSGSS VELAQSIVEA PELGAAIRVG RGARVTVPGG DATA SEQUENCE SLSAPHGNVI ETGGARRFAP QAAPLSITLQ AGAHAQGKAL LYRVLPEPVK DATA SEQUENCE LTLTGGADAQ GDIVATELPS IPGTSIGPLD VALASQARWT GATRAVDSLS DATA SEQUENCE IDNATWVMTD NSNVGALRLA SDGSVDFQQP AEAGRFKVLT VNTLAGSGLF DATA SEQUENCE RMNVFADLGL SDKLVVMQDA SGQHRLWVRN SGSEPASANT LLLVQTPLGS DATA SEQUENCE AATFTLANKD GKVDIGTYRY RLAANGNGQW SLVGAKAPP 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 D HA 0.000 nan 4.640 nan 0.000 0.175 1 D C 0.000 176.036 176.300 -0.439 0.000 2.045 1 D CA 0.000 53.752 54.000 -0.413 0.000 0.868 1 D CB 0.000 40.455 40.800 -0.576 0.000 0.688 2 W N 2.347 123.663 121.300 0.027 0.000 1.713 2 W HA 0.602 5.262 4.660 0.000 0.000 0.303 2 W C -1.033 175.492 176.519 0.011 0.000 0.915 2 W CA -0.943 56.422 57.345 0.035 0.000 1.751 2 W CB -0.582 28.919 29.460 0.069 0.000 1.955 2 W HN -0.218 nan 8.180 nan 0.000 0.405 3 N N 2.266 121.067 118.700 0.168 0.000 2.438 3 N HA 0.169 4.909 4.740 0.000 0.000 0.282 3 N C 0.501 176.047 175.510 0.060 0.000 1.037 3 N CA -0.268 52.834 53.050 0.087 0.000 0.942 3 N CB 0.895 39.406 38.487 0.040 0.000 1.136 3 N HN 0.228 nan 8.380 nan 0.000 0.481 4 N N 0.763 119.479 118.700 0.028 0.000 2.721 4 N HA -0.214 4.526 4.740 0.000 0.000 0.249 4 N C -0.890 174.644 175.510 0.040 0.000 1.072 4 N CA 0.953 54.014 53.050 0.019 0.000 0.710 4 N CB -0.713 37.781 38.487 0.011 0.000 0.993 4 N HN 0.669 nan 8.380 nan 0.000 0.547 5 Q N -0.929 118.910 119.800 0.065 0.000 2.359 5 Q HA 0.599 4.939 4.340 0.000 0.000 0.275 5 Q C -0.504 175.541 176.000 0.075 0.000 1.082 5 Q CA -0.679 55.172 55.803 0.080 0.000 0.849 5 Q CB 1.603 30.417 28.738 0.126 0.000 1.377 5 Q HN 0.041 nan 8.270 nan 0.000 0.452 6 S N 1.375 117.116 115.700 0.068 0.000 2.498 6 S HA 0.473 4.944 4.470 0.000 0.000 0.324 6 S C -0.583 174.055 174.600 0.064 0.000 1.071 6 S CA -0.507 57.730 58.200 0.061 0.000 1.113 6 S CB 0.245 63.472 63.200 0.045 0.000 0.976 6 S HN 0.343 nan 8.310 nan 0.000 0.462 7 I N 3.574 124.182 120.570 0.063 0.000 2.330 7 I HA 0.413 4.583 4.170 0.000 0.000 0.289 7 I C -0.755 175.382 176.117 0.034 0.000 1.001 7 I CA -0.673 60.659 61.300 0.053 0.000 1.193 7 I CB 1.394 39.422 38.000 0.047 0.000 1.345 7 I HN 0.218 nan 8.210 nan 0.000 0.461 8 V N 6.912 126.845 119.914 0.031 0.000 2.407 8 V HA 0.474 4.594 4.120 0.000 0.000 0.291 8 V C -0.226 175.877 176.094 0.015 0.000 1.018 8 V CA -0.758 61.554 62.300 0.020 0.000 0.842 8 V CB 1.482 33.316 31.823 0.020 0.000 0.996 8 V HN 0.546 nan 8.190 nan 0.000 0.426 9 K N 2.333 122.737 120.400 0.006 0.000 2.328 9 K HA 0.711 5.031 4.320 0.000 0.000 0.246 9 K C 0.641 177.236 176.600 -0.008 0.000 0.955 9 K CA -0.483 55.803 56.287 -0.002 0.000 0.817 9 K CB 2.147 34.640 32.500 -0.011 0.000 1.208 9 K HN 0.738 nan 8.250 nan 0.000 0.432 10 T N -3.434 111.113 114.554 -0.011 0.000 2.992 10 T HA 0.183 4.533 4.350 0.000 0.000 0.255 10 T C 0.938 175.627 174.700 -0.019 0.000 0.938 10 T CA 0.003 62.096 62.100 -0.011 0.000 0.895 10 T CB 0.175 69.041 68.868 -0.004 0.000 1.221 10 T HN 0.514 nan 8.240 nan 0.000 0.512 11 G N 1.154 109.938 108.800 -0.026 0.000 2.606 11 G HA2 0.407 4.367 3.960 0.000 0.000 0.252 11 G HA3 0.407 4.367 3.960 0.000 0.000 0.252 11 G C -0.359 174.510 174.900 -0.051 0.000 1.206 11 G CA -0.530 44.550 45.100 -0.033 0.000 0.861 11 G HN 0.554 nan 8.290 nan 0.000 0.561 12 E N 0.641 120.814 120.200 -0.045 0.000 2.467 12 E HA -0.032 4.318 4.350 0.000 0.000 0.264 12 E C 0.780 177.316 176.600 -0.107 0.000 1.020 12 E CA -0.302 56.066 56.400 -0.054 0.000 0.945 12 E CB 0.359 30.038 29.700 -0.035 0.000 0.942 12 E HN 0.576 nan 8.360 nan 0.000 0.449 13 R N 3.025 123.443 120.500 -0.136 0.000 2.629 13 R HA -0.293 4.047 4.340 0.000 0.000 0.225 13 R C -0.804 175.195 176.300 -0.503 0.000 0.777 13 R CA 0.997 56.920 56.100 -0.295 0.000 0.528 13 R CB -1.825 28.368 30.300 -0.179 0.000 1.182 13 R HN 0.652 nan 8.270 nan 0.000 0.520 14 Q N 1.818 121.371 119.800 -0.412 0.000 2.700 14 Q HA 0.195 4.535 4.340 0.000 0.000 0.249 14 Q C -0.864 174.997 176.000 -0.232 0.000 1.033 14 Q CA -0.675 54.952 55.803 -0.294 0.000 0.804 14 Q CB 0.606 29.266 28.738 -0.129 0.000 1.164 14 Q HN 0.618 nan 8.270 nan 0.000 0.500 15 H N 0.424 119.475 119.070 -0.032 0.000 2.679 15 H HA 0.159 4.715 4.556 0.000 0.000 0.369 15 H C 1.374 176.675 175.328 -0.045 0.000 1.178 15 H CA 0.321 56.331 56.048 -0.063 0.000 1.419 15 H CB 1.136 30.827 29.762 -0.118 0.000 1.458 15 H HN 0.742 nan 8.280 nan 0.000 0.605 16 G N 1.549 110.378 108.800 0.049 0.000 2.464 16 G HA2 -0.088 3.872 3.960 0.000 0.000 0.214 16 G HA3 -0.088 3.872 3.960 0.000 0.000 0.214 16 G C 0.330 175.185 174.900 -0.074 0.000 1.218 16 G CA 0.531 45.615 45.100 -0.027 0.000 0.794 16 G HN 0.500 nan 8.290 nan 0.000 0.542 17 I N -0.488 119.992 120.570 -0.150 0.000 2.466 17 I HA 0.323 4.493 4.170 0.000 0.000 0.289 17 I C -1.187 174.912 176.117 -0.030 0.000 1.026 17 I CA -0.648 60.489 61.300 -0.272 0.000 1.078 17 I CB 2.405 40.002 38.000 -0.673 0.000 1.249 17 I HN 0.207 nan 8.210 nan 0.000 0.429 18 H N 7.103 126.162 119.070 -0.019 0.000 2.727 18 H HA 0.541 5.097 4.556 0.000 0.000 0.330 18 H C -1.294 174.081 175.328 0.080 0.000 0.986 18 H CA -0.757 55.306 56.048 0.025 0.000 1.251 18 H CB 1.465 31.311 29.762 0.139 0.000 1.493 18 H HN 0.479 nan 8.280 nan 0.000 0.515 19 I N 5.707 126.387 120.570 0.182 0.000 2.328 19 I HA 0.122 4.293 4.170 0.000 0.000 0.287 19 I C -0.028 176.045 176.117 -0.073 0.000 1.012 19 I CA -0.359 60.974 61.300 0.055 0.000 1.195 19 I CB 1.414 39.484 38.000 0.116 0.000 1.350 19 I HN 0.523 nan 8.210 nan 0.000 0.464 20 Q N 3.396 123.049 119.800 -0.245 0.000 2.199 20 Q HA 0.303 4.643 4.340 0.000 0.000 0.232 20 Q C 1.348 177.306 176.000 -0.070 0.000 0.969 20 Q CA -0.386 55.274 55.803 -0.238 0.000 0.925 20 Q CB 1.185 29.729 28.738 -0.325 0.000 1.198 20 Q HN 0.822 nan 8.270 nan 0.000 0.494 21 G N 0.162 108.944 108.800 -0.032 0.000 2.448 21 G HA2 -0.233 3.727 3.960 0.000 0.000 0.219 21 G HA3 -0.233 3.727 3.960 0.000 0.000 0.219 21 G C 1.214 176.107 174.900 -0.013 0.000 1.127 21 G CA 1.077 46.173 45.100 -0.007 0.000 0.766 21 G HN 0.604 nan 8.290 nan 0.000 0.552 22 S N -0.255 115.431 115.700 -0.024 0.000 2.575 22 S HA 0.175 4.645 4.470 0.000 0.000 0.215 22 S C 0.145 174.733 174.600 -0.020 0.000 0.966 22 S CA -0.382 57.807 58.200 -0.018 0.000 0.911 22 S CB 0.362 63.552 63.200 -0.017 0.000 0.780 22 S HN 0.151 nan 8.310 nan 0.000 0.514 23 D N 3.338 123.722 120.400 -0.027 0.000 2.348 23 D HA 0.455 5.095 4.640 0.000 0.000 0.249 23 D C -2.438 173.859 176.300 -0.005 0.000 1.110 23 D CA -1.490 52.501 54.000 -0.017 0.000 0.967 23 D CB 0.454 41.243 40.800 -0.017 0.000 1.139 23 D HN 0.144 nan 8.370 nan 0.000 0.466 24 P HA 0.237 nan 4.420 nan 0.000 0.274 24 P C 0.127 177.432 177.300 0.008 0.000 1.246 24 P CA -0.463 62.638 63.100 0.000 0.000 0.795 24 P CB 0.489 32.187 31.700 -0.004 0.000 1.006 25 G N -0.897 107.908 108.800 0.008 0.000 2.563 25 G HA2 0.566 4.526 3.960 0.000 0.000 0.283 25 G HA3 0.566 4.526 3.960 0.000 0.000 0.283 25 G C -0.037 174.873 174.900 0.016 0.000 1.309 25 G CA -0.202 44.907 45.100 0.015 0.000 1.022 25 G HN 0.841 nan 8.290 nan 0.000 0.501 26 G N -3.027 105.786 108.800 0.022 0.000 2.497 26 G HA2 0.243 4.203 3.960 0.000 0.000 0.686 26 G HA3 0.243 4.203 3.960 0.000 0.000 0.686 26 G C -0.921 174.002 174.900 0.038 0.000 1.288 26 G CA -0.342 44.771 45.100 0.021 0.000 0.899 26 G HN 1.245 nan 8.290 nan 0.000 0.608 27 V N 1.363 121.300 119.914 0.037 0.000 2.432 27 V HA 0.597 4.717 4.120 0.000 0.000 0.271 27 V C 0.682 176.817 176.094 0.068 0.000 1.046 27 V CA -0.159 62.176 62.300 0.057 0.000 0.945 27 V CB 1.131 32.981 31.823 0.046 0.000 0.992 27 V HN 0.745 nan 8.190 nan 0.000 0.471 28 R N 2.413 122.990 120.500 0.128 0.000 2.532 28 R HA 0.681 5.021 4.340 0.000 0.000 0.295 28 R C -0.074 176.376 176.300 0.250 0.000 0.968 28 R CA -0.280 55.929 56.100 0.181 0.000 0.916 28 R CB 1.730 32.249 30.300 0.365 0.000 1.124 28 R HN 0.738 nan 8.270 nan 0.000 0.463 29 T N 0.146 114.835 114.554 0.226 0.000 2.861 29 T HA 0.805 5.156 4.350 0.000 0.000 0.287 29 T C -1.480 173.441 174.700 0.368 0.000 1.003 29 T CA -0.591 61.648 62.100 0.230 0.000 0.977 29 T CB 1.064 69.994 68.868 0.104 0.000 0.996 29 T HN 0.583 nan 8.240 nan 0.000 0.448 30 A N 2.988 125.994 122.820 0.309 0.000 2.375 30 A HA 0.742 5.063 4.320 0.000 0.000 0.295 30 A C -0.473 177.060 177.584 -0.086 0.000 1.066 30 A CA -0.688 51.497 52.037 0.245 0.000 0.722 30 A CB 1.611 20.734 19.000 0.205 0.000 1.206 30 A HN 0.797 nan 8.150 nan 0.000 0.435 31 S N 1.736 117.389 115.700 -0.077 0.000 2.672 31 S HA 0.578 5.048 4.470 0.000 0.000 0.291 31 S C 0.583 175.107 174.600 -0.127 0.000 1.145 31 S CA 0.686 58.802 58.200 -0.140 0.000 1.013 31 S CB 0.757 63.918 63.200 -0.065 0.000 1.017 31 S HN 2.619 nan 8.310 nan 0.000 0.487 32 G N 3.249 111.943 108.800 -0.177 0.000 2.160 32 G HA2 -0.193 3.767 3.960 0.000 0.000 0.244 32 G HA3 -0.193 3.767 3.960 0.000 0.000 0.244 32 G C 0.047 174.897 174.900 -0.084 0.000 1.022 32 G CA 0.393 45.429 45.100 -0.107 0.000 0.741 32 G HN 0.903 nan 8.290 nan 0.000 0.508 33 T N 0.812 115.276 114.554 -0.151 0.000 2.859 33 T HA 0.691 5.042 4.350 0.000 0.000 0.281 33 T C 0.428 175.166 174.700 0.065 0.000 1.005 33 T CA 0.401 62.480 62.100 -0.034 0.000 1.025 33 T CB 1.724 70.599 68.868 0.012 0.000 0.977 33 T HN 0.892 nan 8.240 nan 0.000 0.458 34 T N 1.006 115.627 114.554 0.111 0.000 2.807 34 T HA 0.771 5.121 4.350 0.000 0.000 0.279 34 T C -0.474 174.301 174.700 0.125 0.000 0.993 34 T CA -0.761 61.423 62.100 0.140 0.000 0.970 34 T CB 0.443 69.360 68.868 0.082 0.000 0.950 34 T HN 0.440 nan 8.240 nan 0.000 0.441 35 I N 2.298 122.935 120.570 0.113 0.000 2.433 35 I HA 0.553 4.723 4.170 0.000 0.000 0.292 35 I C -0.282 175.841 176.117 0.011 0.000 1.001 35 I CA -0.904 60.418 61.300 0.037 0.000 1.119 35 I CB 2.220 40.200 38.000 -0.034 0.000 1.289 35 I HN 0.635 nan 8.210 nan 0.000 0.438 36 K N 5.458 125.862 120.400 0.006 0.000 2.601 36 K HA 0.668 4.988 4.320 0.000 0.000 0.249 36 K C -1.939 174.659 176.600 -0.005 0.000 0.966 36 K CA -0.415 55.871 56.287 -0.000 0.000 0.827 36 K CB 1.937 34.442 32.500 0.008 0.000 1.178 36 K HN 0.364 nan 8.250 nan 0.000 0.437 37 V N 2.719 122.626 119.914 -0.012 0.000 2.823 37 V HA 0.434 4.554 4.120 0.000 0.000 0.312 37 V C 0.120 176.206 176.094 -0.013 0.000 1.072 37 V CA -0.289 62.005 62.300 -0.011 0.000 0.937 37 V CB 2.032 33.850 31.823 -0.008 0.000 1.013 37 V HN 0.990 nan 8.190 nan 0.000 0.430 38 S N 0.792 116.484 115.700 -0.013 0.000 2.820 38 S HA 0.263 4.733 4.470 0.000 0.000 0.265 38 S C 0.647 175.240 174.600 -0.012 0.000 1.043 38 S CA 0.226 58.418 58.200 -0.014 0.000 1.245 38 S CB 0.386 63.579 63.200 -0.012 0.000 1.187 38 S HN 1.028 nan 8.310 nan 0.000 0.673 39 G N 1.821 110.611 108.800 -0.017 0.000 2.606 39 G HA2 0.424 4.384 3.960 0.000 0.000 0.252 39 G HA3 0.424 4.384 3.960 0.000 0.000 0.252 39 G C -0.287 174.606 174.900 -0.012 0.000 1.206 39 G CA -0.862 44.226 45.100 -0.020 0.000 0.861 39 G HN 0.545 nan 8.290 nan 0.000 0.561 40 R N 0.332 120.828 120.500 -0.007 0.000 2.401 40 R HA 0.153 4.493 4.340 0.000 0.000 0.299 40 R C 0.281 176.578 176.300 -0.005 0.000 1.064 40 R CA 0.201 56.304 56.100 0.005 0.000 1.000 40 R CB -0.071 30.235 30.300 0.010 0.000 0.973 40 R HN 0.735 nan 8.270 nan 0.000 0.438 41 Q N 0.508 120.314 119.800 0.010 0.000 2.487 41 Q HA -0.226 4.114 4.340 0.000 0.000 0.279 41 Q C -1.332 174.698 176.000 0.050 0.000 1.228 41 Q CA 0.893 56.704 55.803 0.014 0.000 0.873 41 Q CB -1.282 27.452 28.738 -0.007 0.000 1.260 41 Q HN 0.702 nan 8.270 nan 0.000 0.471 42 A N 1.409 124.260 122.820 0.051 0.000 2.311 42 A HA 0.547 4.867 4.320 0.000 0.000 0.306 42 A C 0.104 177.778 177.584 0.148 0.000 1.189 42 A CA -0.800 51.300 52.037 0.106 0.000 0.791 42 A CB 0.787 19.770 19.000 -0.029 0.000 1.172 42 A HN 0.219 nan 8.150 nan 0.000 0.481 43 Q N 1.803 121.751 119.800 0.247 0.000 2.212 43 Q HA 0.440 4.780 4.340 0.000 0.000 0.238 43 Q C 0.983 176.984 176.000 0.002 0.000 0.955 43 Q CA -0.103 55.714 55.803 0.022 0.000 0.906 43 Q CB 0.735 29.412 28.738 -0.103 0.000 1.215 43 Q HN 0.608 nan 8.270 nan 0.000 0.478 44 G N 0.588 109.349 108.800 -0.065 0.000 2.394 44 G HA2 0.071 4.031 3.960 0.000 0.000 0.215 44 G HA3 0.071 4.031 3.960 0.000 0.000 0.215 44 G C 0.414 175.216 174.900 -0.162 0.000 1.165 44 G CA 0.259 45.296 45.100 -0.105 0.000 0.784 44 G HN 0.490 nan 8.290 nan 0.000 0.535 45 I N 0.132 120.585 120.570 -0.195 0.000 2.499 45 I HA 0.410 4.580 4.170 0.000 0.000 0.288 45 I C -1.645 174.352 176.117 -0.200 0.000 1.048 45 I CA -0.792 60.376 61.300 -0.220 0.000 1.062 45 I CB 2.691 40.520 38.000 -0.285 0.000 1.238 45 I HN -0.065 nan 8.210 nan 0.000 0.426 46 L N 7.978 129.078 121.223 -0.206 0.000 2.415 46 L HA 0.550 4.890 4.340 0.000 0.000 0.268 46 L C -1.685 175.180 176.870 -0.008 0.000 0.984 46 L CA -0.386 54.312 54.840 -0.237 0.000 0.853 46 L CB 1.342 42.985 42.059 -0.693 0.000 1.215 46 L HN 0.381 nan 8.230 nan 0.000 0.419 47 L N 4.963 126.187 121.223 0.002 0.000 2.280 47 L HA 0.502 4.842 4.340 0.000 0.000 0.287 47 L C 0.238 177.140 176.870 0.054 0.000 1.023 47 L CA 0.379 55.249 54.840 0.049 0.000 0.819 47 L CB 1.417 43.488 42.059 0.021 0.000 1.212 47 L HN 0.612 nan 8.230 nan 0.000 0.420 48 E N 2.596 122.845 120.200 0.082 0.000 3.729 48 E HA 0.248 4.598 4.350 0.000 0.000 0.195 48 E C -0.697 175.928 176.600 0.042 0.000 1.005 48 E CA -0.210 56.231 56.400 0.068 0.000 1.356 48 E CB 0.686 30.454 29.700 0.114 0.000 1.138 48 E HN 0.363 nan 8.360 nan 0.000 0.450 49 N N 1.303 120.022 118.700 0.032 0.000 2.519 49 N HA 0.160 4.900 4.740 0.000 0.000 0.291 49 N C -2.272 173.249 175.510 0.019 0.000 1.107 49 N CA -1.894 51.169 53.050 0.021 0.000 0.904 49 N CB 2.005 40.504 38.487 0.020 0.000 1.500 49 N HN -0.164 nan 8.380 nan 0.000 0.510 50 P HA -0.038 nan 4.420 nan 0.000 0.220 50 P C 0.687 177.994 177.300 0.011 0.000 1.148 50 P CA 0.889 63.994 63.100 0.009 0.000 0.803 50 P CB 0.329 32.031 31.700 0.004 0.000 0.782 51 A N -1.085 121.743 122.820 0.012 0.000 2.251 51 A HA 0.473 4.793 4.320 0.000 0.000 0.209 51 A C 1.258 178.855 177.584 0.021 0.000 1.187 51 A CA 0.214 52.259 52.037 0.014 0.000 0.823 51 A CB -0.549 18.457 19.000 0.010 0.000 0.846 51 A HN 0.261 nan 8.150 nan 0.000 0.486 52 A N -0.186 122.651 122.820 0.028 0.000 2.306 52 A HA 0.660 4.980 4.320 0.000 0.000 0.330 52 A C -0.207 177.406 177.584 0.049 0.000 1.146 52 A CA -0.475 51.588 52.037 0.043 0.000 0.827 52 A CB 0.645 19.678 19.000 0.055 0.000 1.178 52 A HN 0.388 nan 8.150 nan 0.000 0.490 53 E N 1.017 121.256 120.200 0.065 0.000 2.340 53 E HA 0.607 4.957 4.350 0.000 0.000 0.273 53 E C -2.086 174.580 176.600 0.109 0.000 0.891 53 E CA -0.587 55.855 56.400 0.070 0.000 0.757 53 E CB 1.672 31.407 29.700 0.058 0.000 1.231 53 E HN 0.598 nan 8.360 nan 0.000 0.439 54 L N 3.805 125.097 121.223 0.114 0.000 2.406 54 L HA 0.394 4.734 4.340 0.000 0.000 0.272 54 L C -1.245 175.722 176.870 0.161 0.000 0.980 54 L CA -0.567 54.373 54.840 0.166 0.000 0.831 54 L CB 1.760 43.909 42.059 0.150 0.000 1.253 54 L HN 0.685 nan 8.230 nan 0.000 0.406 55 Q N 5.261 125.172 119.800 0.186 0.000 2.368 55 Q HA 0.274 4.614 4.340 0.000 0.000 0.256 55 Q C -1.326 174.799 176.000 0.209 0.000 0.980 55 Q CA -0.293 55.607 55.803 0.162 0.000 0.887 55 Q CB 2.123 30.928 28.738 0.112 0.000 1.221 55 Q HN 0.426 nan 8.270 nan 0.000 0.458 56 F N 3.239 123.219 119.950 0.050 0.000 2.347 56 F HA 0.392 4.920 4.527 0.000 0.000 0.366 56 F C -0.380 175.446 175.800 0.043 0.000 1.107 56 F CA -0.645 57.375 58.000 0.033 0.000 1.058 56 F CB 0.803 39.799 39.000 -0.007 0.000 1.236 56 F HN 0.336 nan 8.300 nan 0.000 0.456 57 R N 4.549 124.892 120.500 -0.262 0.000 2.599 57 R HA 0.353 4.693 4.340 0.000 0.000 0.295 57 R C -0.176 175.987 176.300 -0.229 0.000 0.963 57 R CA -0.463 55.550 56.100 -0.145 0.000 0.883 57 R CB 0.839 31.101 30.300 -0.064 0.000 1.171 57 R HN 0.740 nan 8.270 nan 0.000 0.450 58 N N 0.880 119.534 118.700 -0.077 0.000 2.740 58 N HA -0.176 4.564 4.740 0.000 0.000 0.248 58 N C -0.654 174.782 175.510 -0.123 0.000 1.062 58 N CA 1.441 54.453 53.050 -0.064 0.000 0.704 58 N CB -0.838 37.593 38.487 -0.093 0.000 0.968 58 N HN 0.823 nan 8.380 nan 0.000 0.547 59 G N -1.418 107.293 108.800 -0.149 0.000 3.022 59 G HA2 0.776 4.737 3.960 0.000 0.000 0.284 59 G HA3 0.776 4.737 3.960 0.000 0.000 0.284 59 G C -0.901 174.134 174.900 0.225 0.000 1.375 59 G CA 0.206 45.252 45.100 -0.090 0.000 0.902 59 G HN 0.483 nan 8.290 nan 0.000 0.538 60 S N -1.777 114.116 115.700 0.321 0.000 2.549 60 S HA 0.770 5.240 4.470 0.000 0.000 0.280 60 S C -1.365 173.364 174.600 0.215 0.000 1.109 60 S CA -0.687 57.663 58.200 0.249 0.000 0.905 60 S CB 1.996 65.270 63.200 0.123 0.000 1.081 60 S HN 1.023 nan 8.310 nan 0.000 0.477 61 V N 1.690 121.636 119.914 0.053 0.000 2.623 61 V HA 0.832 4.952 4.120 0.000 0.000 0.304 61 V C -0.207 175.859 176.094 -0.047 0.000 1.054 61 V CA -0.239 62.016 62.300 -0.074 0.000 0.882 61 V CB 1.410 33.069 31.823 -0.274 0.000 1.002 61 V HN 1.180 nan 8.190 nan 0.000 0.424 62 T N 1.915 116.447 114.554 -0.037 0.000 2.933 62 T HA 0.797 5.147 4.350 0.000 0.000 0.305 62 T C -0.665 174.016 174.700 -0.033 0.000 1.092 62 T CA 0.023 62.105 62.100 -0.030 0.000 1.008 62 T CB 2.008 70.867 68.868 -0.015 0.000 1.102 62 T HN 1.178 nan 8.240 nan 0.000 0.469 63 S N 1.597 117.277 115.700 -0.033 0.000 2.569 63 S HA 0.695 5.166 4.470 0.000 0.000 0.280 63 S C 0.342 174.921 174.600 -0.035 0.000 1.111 63 S CA -0.030 58.153 58.200 -0.028 0.000 0.887 63 S CB 1.733 64.919 63.200 -0.023 0.000 1.095 63 S HN 1.427 nan 8.310 nan 0.000 0.476 64 S N 0.534 116.214 115.700 -0.034 0.000 2.817 64 S HA 0.431 4.901 4.470 0.000 0.000 0.262 64 S C 0.820 175.391 174.600 -0.049 0.000 1.051 64 S CA -0.116 58.051 58.200 -0.055 0.000 1.185 64 S CB -0.220 62.944 63.200 -0.059 0.000 1.152 64 S HN 1.229 nan 8.310 nan 0.000 0.653 65 G N 1.250 110.038 108.800 -0.020 0.000 2.580 65 G HA2 0.455 4.415 3.960 0.000 0.000 0.278 65 G HA3 0.455 4.415 3.960 0.000 0.000 0.278 65 G C -0.626 174.292 174.900 0.031 0.000 1.212 65 G CA -0.732 44.368 45.100 0.000 0.000 0.939 65 G HN 0.461 nan 8.290 nan 0.000 0.513 66 Q N -0.286 119.553 119.800 0.065 0.000 2.293 66 Q HA 0.207 4.548 4.340 0.000 0.000 0.263 66 Q C -0.219 175.868 176.000 0.145 0.000 1.002 66 Q CA -0.210 55.689 55.803 0.159 0.000 0.910 66 Q CB 0.421 29.260 28.738 0.168 0.000 1.185 66 Q HN 0.411 nan 8.270 nan 0.000 0.401 67 L N 4.164 125.532 121.223 0.242 0.000 3.064 67 L HA 0.213 4.553 4.340 0.000 0.000 0.233 67 L C 0.323 177.160 176.870 -0.055 0.000 1.333 67 L CA -0.538 54.375 54.840 0.122 0.000 1.140 67 L CB -0.151 41.992 42.059 0.139 0.000 1.519 67 L HN 0.597 nan 8.230 nan 0.000 0.493 68 S N -1.960 113.569 115.700 -0.286 0.000 2.564 68 S HA 0.184 4.654 4.470 0.000 0.000 0.278 68 S C -0.222 174.167 174.600 -0.352 0.000 1.333 68 S CA -0.703 57.094 58.200 -0.673 0.000 1.048 68 S CB 1.702 64.578 63.200 -0.541 0.000 0.900 68 S HN 0.213 nan 8.310 nan 0.000 0.505 69 D N 0.465 120.634 120.400 -0.386 0.000 2.177 69 D HA 0.238 4.878 4.640 0.000 0.000 0.247 69 D C 0.690 176.822 176.300 -0.279 0.000 1.063 69 D CA -0.663 53.173 54.000 -0.273 0.000 0.867 69 D CB 1.273 41.917 40.800 -0.261 0.000 1.168 69 D HN 0.575 nan 8.370 nan 0.000 0.445 70 D N 2.082 122.366 120.400 -0.192 0.000 2.182 70 D HA -0.092 4.548 4.640 0.000 0.000 0.201 70 D C 0.712 176.881 176.300 -0.219 0.000 0.986 70 D CA 0.747 54.649 54.000 -0.164 0.000 0.847 70 D CB 0.140 40.884 40.800 -0.093 0.000 0.942 70 D HN 0.418 nan 8.370 nan 0.000 0.467 71 G N 1.470 110.138 108.800 -0.221 0.000 2.394 71 G HA2 0.316 4.276 3.960 0.000 0.000 0.298 71 G HA3 0.316 4.276 3.960 0.000 0.000 0.298 71 G C 0.412 175.082 174.900 -0.384 0.000 1.087 71 G CA -0.536 44.427 45.100 -0.228 0.000 1.035 71 G HN 0.266 nan 8.290 nan 0.000 0.420 72 I N 2.522 122.786 120.570 -0.511 0.000 3.236 72 I HA -0.258 3.912 4.170 0.000 0.000 0.308 72 I C 0.775 176.514 176.117 -0.630 0.000 1.019 72 I CA 0.704 61.517 61.300 -0.813 0.000 2.114 72 I CB 0.165 37.977 38.000 -0.314 0.000 1.012 72 I HN 0.930 nan 8.210 nan 0.000 0.401 73 R N 3.453 123.482 120.500 -0.786 0.000 4.000 73 R HA -0.126 4.214 4.340 0.000 0.000 0.425 73 R C -0.013 176.218 176.300 -0.115 0.000 0.241 73 R CA 0.038 56.123 56.100 -0.026 0.000 1.350 73 R CB -0.387 29.961 30.300 0.080 0.000 1.117 73 R HN 0.947 nan 8.270 nan 0.000 0.506 74 R N -1.224 119.313 120.500 0.063 0.000 1.083 74 R HA -0.166 4.175 4.340 0.000 0.000 0.424 74 R C -1.190 175.044 176.300 -0.109 0.000 1.365 74 R CA 1.421 57.533 56.100 0.020 0.000 1.384 74 R CB -0.693 29.542 30.300 -0.108 0.000 3.781 74 R HN 0.407 nan 8.270 nan 0.000 0.496 75 F N 2.052 121.943 119.950 -0.098 0.000 2.563 75 F HA 0.558 5.085 4.527 0.000 0.000 0.316 75 F C 0.894 176.498 175.800 -0.327 0.000 1.076 75 F CA -0.711 57.213 58.000 -0.127 0.000 0.921 75 F CB 1.329 40.299 39.000 -0.050 0.000 1.209 75 F HN 0.260 nan 8.300 nan 0.000 0.462 76 L N 1.027 122.179 121.223 -0.118 0.000 2.578 76 L HA 0.826 5.166 4.340 0.000 0.000 0.259 76 L C 0.545 177.391 176.870 -0.041 0.000 1.082 76 L CA -0.933 53.733 54.840 -0.290 0.000 0.843 76 L CB 0.945 42.880 42.059 -0.206 0.000 1.535 76 L HN 0.691 nan 8.230 nan 0.000 0.510 77 G N -1.597 107.229 108.800 0.043 0.000 2.597 77 G HA2 0.365 4.326 3.960 0.000 0.000 0.317 77 G HA3 0.365 4.326 3.960 0.000 0.000 0.317 77 G C 0.571 175.487 174.900 0.026 0.000 1.230 77 G CA 0.325 45.474 45.100 0.082 0.000 0.996 77 G HN 0.638 nan 8.290 nan 0.000 0.490 78 T N -1.817 112.740 114.554 0.004 0.000 2.833 78 T HA -0.085 4.266 4.350 0.000 0.000 0.269 78 T C 0.727 175.385 174.700 -0.069 0.000 1.054 78 T CA 1.308 63.389 62.100 -0.032 0.000 1.135 78 T CB -0.213 68.631 68.868 -0.041 0.000 0.869 78 T HN 0.212 nan 8.240 nan 0.000 0.466 79 V N 2.617 122.492 119.914 -0.064 0.000 2.334 79 V HA 0.560 4.680 4.120 0.000 0.000 0.281 79 V C 0.187 176.266 176.094 -0.024 0.000 1.016 79 V CA -0.491 61.753 62.300 -0.093 0.000 0.832 79 V CB 0.885 32.636 31.823 -0.120 0.000 0.999 79 V HN 0.625 nan 8.190 nan 0.000 0.439 80 T N 3.276 117.812 114.554 -0.030 0.000 2.861 80 T HA 0.725 5.075 4.350 0.000 0.000 0.287 80 T C -1.012 173.695 174.700 0.010 0.000 1.003 80 T CA -0.565 61.568 62.100 0.055 0.000 0.977 80 T CB 1.776 70.731 68.868 0.145 0.000 0.996 80 T HN 0.255 nan 8.240 nan 0.000 0.448 81 V N 5.528 125.450 119.914 0.015 0.000 2.349 81 V HA 0.443 4.563 4.120 0.000 0.000 0.284 81 V C 0.729 176.808 176.094 -0.024 0.000 1.014 81 V CA -0.684 61.605 62.300 -0.018 0.000 0.826 81 V CB 1.303 33.102 31.823 -0.040 0.000 1.009 81 V HN 1.012 nan 8.190 nan 0.000 0.431 82 K N 2.734 123.139 120.400 0.008 0.000 2.354 82 K HA 0.637 4.957 4.320 0.000 0.000 0.194 82 K C 0.408 177.008 176.600 -0.001 0.000 1.045 82 K CA 0.642 56.937 56.287 0.014 0.000 1.026 82 K CB 1.152 33.680 32.500 0.047 0.000 0.866 82 K HN 0.747 nan 8.250 nan 0.000 0.530 83 A N 0.275 123.096 122.820 0.001 0.000 2.573 83 A HA 0.577 4.897 4.320 0.000 0.000 0.299 83 A C -0.448 177.141 177.584 0.008 0.000 1.060 83 A CA -0.168 51.870 52.037 0.001 0.000 0.736 83 A CB 0.797 19.802 19.000 0.008 0.000 1.280 83 A HN 0.242 nan 8.150 nan 0.000 0.401 84 G N 0.453 109.255 108.800 0.005 0.000 2.498 84 G HA2 0.363 4.323 3.960 0.000 0.000 0.651 84 G HA3 0.363 4.323 3.960 0.000 0.000 0.651 84 G C -0.641 174.264 174.900 0.008 0.000 1.284 84 G CA -0.148 44.959 45.100 0.013 0.000 0.950 84 G HN 1.389 nan 8.290 nan 0.000 0.511 85 K N -0.526 119.885 120.400 0.018 0.000 2.376 85 K HA 0.710 5.030 4.320 0.000 0.000 0.257 85 K C -1.017 175.600 176.600 0.029 0.000 0.939 85 K CA -0.938 55.359 56.287 0.017 0.000 0.809 85 K CB 1.568 34.079 32.500 0.019 0.000 1.121 85 K HN 0.854 nan 8.250 nan 0.000 0.425 86 L N 4.727 125.962 121.223 0.020 0.000 2.307 86 L HA 0.497 4.837 4.340 0.000 0.000 0.284 86 L C -1.564 175.330 176.870 0.041 0.000 1.023 86 L CA -0.502 54.356 54.840 0.031 0.000 0.810 86 L CB 1.848 43.909 42.059 0.004 0.000 1.231 86 L HN 0.407 nan 8.230 nan 0.000 0.423 87 V N 5.379 125.335 119.914 0.070 0.000 2.349 87 V HA 0.772 4.892 4.120 0.000 0.000 0.284 87 V C 0.039 176.202 176.094 0.115 0.000 1.014 87 V CA -0.300 62.045 62.300 0.075 0.000 0.826 87 V CB 1.067 32.932 31.823 0.071 0.000 1.009 87 V HN 0.930 nan 8.190 nan 0.000 0.431 88 A N 3.605 126.487 122.820 0.104 0.000 2.318 88 A HA 0.827 5.147 4.320 0.000 0.000 0.324 88 A C -0.908 176.744 177.584 0.114 0.000 1.170 88 A CA -0.417 51.712 52.037 0.152 0.000 0.810 88 A CB 1.282 20.361 19.000 0.132 0.000 1.198 88 A HN 0.756 nan 8.150 nan 0.000 0.484 89 D N 0.732 121.216 120.400 0.140 0.000 2.855 89 D HA 0.430 5.070 4.640 0.000 0.000 0.241 89 D C -0.423 175.994 176.300 0.194 0.000 1.277 89 D CA -0.128 53.950 54.000 0.131 0.000 0.918 89 D CB 0.308 41.192 40.800 0.139 0.000 1.462 89 D HN 0.664 nan 8.370 nan 0.000 0.559 90 H N 0.713 119.805 119.070 0.038 0.000 2.692 90 H HA -0.079 4.477 4.556 0.000 0.000 0.316 90 H C -0.580 174.775 175.328 0.047 0.000 1.176 90 H CA 1.181 57.247 56.048 0.030 0.000 1.142 90 H CB -1.113 28.655 29.762 0.010 0.000 1.475 90 H HN 0.463 nan 8.280 nan 0.000 0.423 91 A N 0.121 123.025 122.820 0.141 0.000 2.311 91 A HA 0.742 5.062 4.320 0.000 0.000 0.334 91 A C 0.374 178.030 177.584 0.120 0.000 1.139 91 A CA -0.231 51.914 52.037 0.181 0.000 0.830 91 A CB 1.213 20.371 19.000 0.264 0.000 1.234 91 A HN 0.256 nan 8.150 nan 0.000 0.483 92 T N 2.491 117.123 114.554 0.130 0.000 2.893 92 T HA 0.482 4.832 4.350 0.000 0.000 0.324 92 T C -0.925 173.813 174.700 0.064 0.000 1.082 92 T CA -0.146 62.002 62.100 0.079 0.000 0.983 92 T CB -0.014 68.896 68.868 0.071 0.000 1.005 92 T HN 0.305 nan 8.240 nan 0.000 0.475 93 L N 3.056 124.299 121.223 0.032 0.000 2.307 93 L HA 0.881 5.221 4.340 0.000 0.000 0.284 93 L C 0.009 176.876 176.870 -0.005 0.000 1.023 93 L CA -0.756 54.083 54.840 -0.001 0.000 0.810 93 L CB 1.222 43.270 42.059 -0.017 0.000 1.231 93 L HN 0.775 nan 8.230 nan 0.000 0.423 94 A N 2.891 125.702 122.820 -0.015 0.000 2.488 94 A HA 0.581 4.901 4.320 0.000 0.000 0.295 94 A C -1.159 176.410 177.584 -0.026 0.000 1.045 94 A CA -0.649 51.379 52.037 -0.016 0.000 0.703 94 A CB 1.201 20.194 19.000 -0.011 0.000 1.271 94 A HN 0.542 nan 8.150 nan 0.000 0.400 95 N N 2.411 121.095 118.700 -0.027 0.000 2.457 95 N HA 0.339 5.079 4.740 0.000 0.000 0.250 95 N C -0.634 174.843 175.510 -0.055 0.000 0.982 95 N CA -0.114 52.914 53.050 -0.037 0.000 0.941 95 N CB 1.660 40.129 38.487 -0.031 0.000 1.120 95 N HN 0.292 nan 8.380 nan 0.000 0.505 96 V N 2.586 122.463 119.914 -0.063 0.000 3.214 96 V HA 0.331 4.451 4.120 0.000 0.000 0.330 96 V C 1.246 177.267 176.094 -0.121 0.000 1.403 96 V CA -0.172 62.080 62.300 -0.081 0.000 1.143 96 V CB -0.139 31.649 31.823 -0.057 0.000 1.098 96 V HN 0.690 nan 8.190 nan 0.000 0.463 97 G N -0.172 108.549 108.800 -0.132 0.000 2.636 97 G HA2 0.118 4.078 3.960 0.000 0.000 0.246 97 G HA3 0.118 4.078 3.960 0.000 0.000 0.246 97 G C -0.278 174.437 174.900 -0.308 0.000 1.216 97 G CA -0.323 44.667 45.100 -0.184 0.000 0.854 97 G HN 0.303 nan 8.290 nan 0.000 0.572 98 D N -0.089 120.017 120.400 -0.490 0.000 2.443 98 D HA 0.056 4.696 4.640 0.000 0.000 0.239 98 D C 1.659 177.604 176.300 -0.593 0.000 1.136 98 D CA 0.324 53.792 54.000 -0.886 0.000 0.879 98 D CB 1.195 40.852 40.800 -1.905 0.000 1.195 98 D HN 0.286 nan 8.370 nan 0.000 0.443 99 T N 2.212 116.475 114.554 -0.484 0.000 2.708 99 T HA -0.149 4.201 4.350 0.000 0.000 0.266 99 T C 1.808 176.444 174.700 -0.107 0.000 1.037 99 T CA 0.946 62.912 62.100 -0.224 0.000 1.146 99 T CB -0.170 68.648 68.868 -0.084 0.000 0.865 99 T HN 0.599 nan 8.240 nan 0.000 0.435 100 W N 2.679 123.944 121.300 -0.058 0.000 1.365 100 W HA -0.145 4.515 4.660 0.000 0.000 0.267 100 W C 1.087 177.573 176.519 -0.055 0.000 0.800 100 W CA 0.784 58.100 57.345 -0.050 0.000 0.897 100 W CB -1.547 27.894 29.460 -0.031 0.000 0.996 100 W HN 0.102 nan 8.180 nan 0.000 0.547 101 D N 1.431 121.886 120.400 0.092 0.000 2.434 101 D HA -0.082 4.558 4.640 0.000 0.000 0.221 101 D C -0.319 175.989 176.300 0.013 0.000 0.982 101 D CA 1.942 55.990 54.000 0.081 0.000 1.002 101 D CB -0.547 40.269 40.800 0.027 0.000 0.854 101 D HN 0.244 nan 8.370 nan 0.000 0.504 102 D N -2.399 117.907 120.400 -0.156 0.000 2.742 102 D HA 0.046 4.686 4.640 0.000 0.000 0.262 102 D C -0.533 175.415 176.300 -0.587 0.000 1.240 102 D CA -0.582 53.211 54.000 -0.345 0.000 0.752 102 D CB 0.684 41.415 40.800 -0.115 0.000 1.290 102 D HN -0.399 nan 8.370 nan 0.000 0.420 103 D N 0.392 120.235 120.400 -0.928 0.000 2.347 103 D HA 0.194 4.834 4.640 0.000 0.000 0.215 103 D C 1.376 177.517 176.300 -0.264 0.000 0.976 103 D CA 1.515 55.164 54.000 -0.584 0.000 0.884 103 D CB -0.067 40.407 40.800 -0.543 0.000 0.915 103 D HN 0.643 nan 8.370 nan 0.000 0.526 104 G N 0.706 109.387 108.800 -0.199 0.000 2.179 104 G HA2 -0.319 3.642 3.960 0.000 0.000 0.257 104 G HA3 -0.319 3.642 3.960 0.000 0.000 0.257 104 G C 0.300 175.177 174.900 -0.038 0.000 1.010 104 G CA -0.046 44.991 45.100 -0.106 0.000 0.736 104 G HN 0.375 nan 8.290 nan 0.000 0.513 105 I N 0.469 121.033 120.570 -0.009 0.000 2.533 105 I HA 0.310 4.480 4.170 0.000 0.000 0.284 105 I C 1.675 177.822 176.117 0.049 0.000 1.109 105 I CA 0.403 61.740 61.300 0.061 0.000 1.412 105 I CB 1.158 39.229 38.000 0.117 0.000 1.396 105 I HN 0.198 nan 8.210 nan 0.000 0.543 106 A N 6.898 129.747 122.820 0.049 0.000 1.984 106 A HA 0.209 4.529 4.320 0.000 0.000 0.214 106 A C 0.439 178.041 177.584 0.029 0.000 1.173 106 A CA 0.707 52.757 52.037 0.023 0.000 0.673 106 A CB 0.220 19.227 19.000 0.011 0.000 0.830 106 A HN 0.546 nan 8.150 nan 0.000 0.453 107 L N -1.395 119.866 121.223 0.062 0.000 2.476 107 L HA 0.583 4.924 4.340 0.000 0.000 0.269 107 L C -1.731 175.218 176.870 0.132 0.000 0.965 107 L CA -0.693 54.184 54.840 0.062 0.000 0.845 107 L CB 1.844 43.914 42.059 0.019 0.000 1.259 107 L HN 0.233 nan 8.230 nan 0.000 0.403 108 Y N 5.288 125.588 120.300 -0.001 0.000 2.326 108 Y HA 0.764 5.314 4.550 0.000 0.000 0.331 108 Y C -1.453 174.440 175.900 -0.011 0.000 0.962 108 Y CA -0.762 57.343 58.100 0.010 0.000 1.167 108 Y CB 1.631 40.106 38.460 0.024 0.000 1.148 108 Y HN 0.358 nan 8.280 nan 0.000 0.463 109 V N 5.624 125.241 119.914 -0.495 0.000 2.443 109 V HA 0.895 5.015 4.120 0.000 0.000 0.293 109 V C -0.652 175.108 176.094 -0.558 0.000 1.021 109 V CA -0.473 61.590 62.300 -0.396 0.000 0.848 109 V CB 1.052 32.758 31.823 -0.196 0.000 0.998 109 V HN 0.916 nan 8.190 nan 0.000 0.424 110 A N 3.479 126.015 122.820 -0.473 0.000 2.459 110 A HA 1.017 5.338 4.320 0.000 0.000 0.296 110 A C -0.097 177.399 177.584 -0.147 0.000 1.039 110 A CA -0.031 51.800 52.037 -0.344 0.000 0.698 110 A CB 1.805 20.551 19.000 -0.424 0.000 1.261 110 A HN 2.135 nan 8.150 nan 0.000 0.405 111 G N 0.884 109.623 108.800 -0.103 0.000 2.465 111 G HA2 0.130 4.091 3.960 0.000 0.000 0.681 111 G HA3 0.130 4.091 3.960 0.000 0.000 0.681 111 G C -0.054 174.816 174.900 -0.051 0.000 1.340 111 G CA -0.045 45.021 45.100 -0.057 0.000 0.884 111 G HN 0.732 nan 8.290 nan 0.000 0.650 112 E N -0.270 119.909 120.200 -0.035 0.000 2.265 112 E HA -0.112 4.238 4.350 0.000 0.000 0.196 112 E C 1.783 178.367 176.600 -0.026 0.000 0.996 112 E CA 1.391 57.773 56.400 -0.030 0.000 0.832 112 E CB 0.095 29.782 29.700 -0.022 0.000 0.756 112 E HN 0.592 nan 8.360 nan 0.000 0.491 113 Q N -0.438 119.348 119.800 -0.024 0.000 2.159 113 Q HA 0.305 4.645 4.340 0.000 0.000 0.217 113 Q C -0.379 175.608 176.000 -0.022 0.000 0.818 113 Q CA -0.344 55.448 55.803 -0.018 0.000 1.008 113 Q CB 1.521 30.253 28.738 -0.010 0.000 1.148 113 Q HN -0.001 nan 8.270 nan 0.000 0.491 114 A N 1.599 124.397 122.820 -0.036 0.000 2.276 114 A HA 0.443 4.764 4.320 0.000 0.000 0.300 114 A C -0.414 177.142 177.584 -0.047 0.000 1.235 114 A CA -0.117 51.893 52.037 -0.045 0.000 0.867 114 A CB 0.456 19.411 19.000 -0.074 0.000 1.137 114 A HN 0.183 nan 8.150 nan 0.000 0.527 115 Q N 0.240 120.019 119.800 -0.034 0.000 2.423 115 Q HA 0.766 5.106 4.340 0.000 0.000 0.278 115 Q C -0.919 175.065 176.000 -0.025 0.000 1.097 115 Q CA -0.804 54.981 55.803 -0.030 0.000 0.809 115 Q CB 2.667 31.395 28.738 -0.016 0.000 1.391 115 Q HN 1.031 nan 8.270 nan 0.000 0.428 116 A N 0.844 123.649 122.820 -0.024 0.000 2.540 116 A HA 0.663 4.983 4.320 0.000 0.000 0.297 116 A C -1.442 176.137 177.584 -0.009 0.000 1.056 116 A CA -0.540 51.487 52.037 -0.016 0.000 0.700 116 A CB 2.088 21.072 19.000 -0.027 0.000 1.280 116 A HN 0.402 nan 8.150 nan 0.000 0.398 117 S N 2.430 118.133 115.700 0.004 0.000 2.707 117 S HA 0.655 5.125 4.470 0.000 0.000 0.312 117 S C -0.901 173.708 174.600 0.016 0.000 1.116 117 S CA -0.520 57.685 58.200 0.008 0.000 1.078 117 S CB 0.018 63.226 63.200 0.014 0.000 0.997 117 S HN 0.528 nan 8.310 nan 0.000 0.477 118 I N 4.059 124.633 120.570 0.007 0.000 2.389 118 I HA 0.674 4.844 4.170 0.000 0.000 0.288 118 I C 0.124 176.239 176.117 -0.003 0.000 0.999 118 I CA -0.658 60.647 61.300 0.009 0.000 1.129 118 I CB 0.905 38.906 38.000 0.001 0.000 1.288 118 I HN 0.720 nan 8.210 nan 0.000 0.444 119 A N 4.564 127.380 122.820 -0.007 0.000 2.449 119 A HA 0.632 4.953 4.320 0.000 0.000 0.302 119 A C -0.266 177.250 177.584 -0.114 0.000 1.048 119 A CA -0.465 51.547 52.037 -0.041 0.000 0.708 119 A CB 1.006 19.995 19.000 -0.019 0.000 1.274 119 A HN 0.816 nan 8.150 nan 0.000 0.410 120 D N 0.687 120.985 120.400 -0.171 0.000 2.689 120 D HA -0.124 4.516 4.640 0.000 0.000 0.237 120 D C -0.011 176.149 176.300 -0.234 0.000 1.148 120 D CA 1.890 55.703 54.000 -0.311 0.000 0.656 120 D CB -1.167 39.161 40.800 -0.786 0.000 1.050 120 D HN 0.452 nan 8.370 nan 0.000 0.426 121 S N -1.018 114.622 115.700 -0.099 0.000 2.661 121 S HA 0.754 5.224 4.470 0.000 0.000 0.285 121 S C 0.058 174.649 174.600 -0.015 0.000 1.138 121 S CA -0.663 57.517 58.200 -0.034 0.000 0.855 121 S CB 2.588 65.791 63.200 0.005 0.000 1.136 121 S HN 0.249 nan 8.310 nan 0.000 0.484 122 T N 0.266 114.823 114.554 0.005 0.000 2.829 122 T HA 0.712 5.062 4.350 0.000 0.000 0.280 122 T C -1.083 173.623 174.700 0.009 0.000 0.999 122 T CA -0.851 61.252 62.100 0.006 0.000 0.983 122 T CB 0.545 69.419 68.868 0.009 0.000 0.968 122 T HN 0.317 nan 8.240 nan 0.000 0.446 123 L N 2.841 124.067 121.223 0.006 0.000 2.342 123 L HA 0.467 4.807 4.340 0.000 0.000 0.276 123 L C -0.085 176.788 176.870 0.005 0.000 0.997 123 L CA -0.545 54.298 54.840 0.005 0.000 0.838 123 L CB 1.248 43.310 42.059 0.004 0.000 1.224 123 L HN 0.808 nan 8.230 nan 0.000 0.416 124 Q N 1.790 121.591 119.800 0.002 0.000 2.306 124 Q HA 0.850 5.191 4.340 0.000 0.000 0.265 124 Q C -0.027 175.970 176.000 -0.005 0.000 1.022 124 Q CA -0.821 54.982 55.803 -0.000 0.000 0.853 124 Q CB 3.204 31.940 28.738 -0.003 0.000 1.327 124 Q HN 0.813 nan 8.270 nan 0.000 0.449 125 G N -0.353 108.443 108.800 -0.006 0.000 2.306 125 G HA2 0.210 4.170 3.960 0.000 0.000 0.340 125 G HA3 0.210 4.170 3.960 0.000 0.000 0.340 125 G C -0.192 174.704 174.900 -0.005 0.000 1.630 125 G CA -0.323 44.767 45.100 -0.016 0.000 0.937 125 G HN 0.567 nan 8.290 nan 0.000 0.693 126 A N -0.037 122.768 122.820 -0.025 0.000 2.172 126 A HA 0.375 4.695 4.320 0.000 0.000 0.216 126 A C 2.305 179.895 177.584 0.010 0.000 1.154 126 A CA 2.564 54.592 52.037 -0.015 0.000 0.701 126 A CB -0.192 18.780 19.000 -0.047 0.000 0.789 126 A HN 2.066 nan 8.150 nan 0.000 0.465 127 G N -1.860 106.948 108.800 0.014 0.000 3.088 127 G HA2 0.415 4.375 3.960 0.000 0.000 0.217 127 G HA3 0.415 4.375 3.960 0.000 0.000 0.217 127 G C 1.090 176.092 174.900 0.170 0.000 1.159 127 G CA 0.597 45.737 45.100 0.066 0.000 0.760 127 G HN 1.326 nan 8.290 nan 0.000 0.550 128 G N -0.349 108.521 108.800 0.117 0.000 2.596 128 G HA2 -0.252 3.708 3.960 0.000 0.000 0.295 128 G HA3 -0.252 3.708 3.960 0.000 0.000 0.295 128 G C -0.120 174.842 174.900 0.103 0.000 1.240 128 G CA 0.362 45.521 45.100 0.097 0.000 0.985 128 G HN 0.892 nan 8.290 nan 0.000 0.555 129 V N 2.245 122.203 119.914 0.074 0.000 2.384 129 V HA 0.560 4.680 4.120 0.000 0.000 0.287 129 V C -0.152 176.014 176.094 0.120 0.000 1.020 129 V CA -0.401 61.941 62.300 0.069 0.000 0.850 129 V CB 1.531 33.356 31.823 0.003 0.000 0.987 129 V HN 0.645 nan 8.190 nan 0.000 0.436 130 Q N 5.682 125.588 119.800 0.176 0.000 2.325 130 Q HA 0.653 4.993 4.340 0.000 0.000 0.270 130 Q C -1.200 174.804 176.000 0.007 0.000 1.020 130 Q CA -0.372 55.556 55.803 0.207 0.000 0.785 130 Q CB 2.969 31.951 28.738 0.407 0.000 1.259 130 Q HN 0.644 nan 8.270 nan 0.000 0.452 131 I N 2.101 122.633 120.570 -0.064 0.000 2.498 131 I HA 0.402 4.572 4.170 0.000 0.000 0.290 131 I C -0.110 175.912 176.117 -0.159 0.000 1.032 131 I CA -0.441 60.760 61.300 -0.164 0.000 1.073 131 I CB 1.929 39.866 38.000 -0.104 0.000 1.251 131 I HN 0.674 nan 8.210 nan 0.000 0.426 132 E N 4.668 124.741 120.200 -0.211 0.000 2.442 132 E HA 0.505 4.855 4.350 0.000 0.000 0.278 132 E C -0.988 175.534 176.600 -0.130 0.000 1.082 132 E CA -1.109 55.203 56.400 -0.148 0.000 0.861 132 E CB 1.111 30.730 29.700 -0.134 0.000 1.462 132 E HN 0.434 nan 8.360 nan 0.000 0.458 133 R N -0.178 120.270 120.500 -0.087 0.000 3.264 133 R HA -0.197 4.144 4.340 0.000 0.000 0.251 133 R C 0.604 176.867 176.300 -0.061 0.000 0.971 133 R CA 0.823 56.886 56.100 -0.063 0.000 0.658 133 R CB -2.263 28.008 30.300 -0.049 0.000 1.095 133 R HN 1.313 nan 8.270 nan 0.000 0.443 134 G N -1.740 107.025 108.800 -0.058 0.000 2.148 134 G HA2 -0.294 3.666 3.960 0.000 0.000 0.254 134 G HA3 -0.294 3.666 3.960 0.000 0.000 0.254 134 G C 0.339 175.205 174.900 -0.057 0.000 0.981 134 G CA 0.346 45.416 45.100 -0.050 0.000 0.670 134 G HN 0.933 nan 8.290 nan 0.000 0.528 135 A N -0.384 122.389 122.820 -0.078 0.000 2.366 135 A HA 0.604 4.925 4.320 0.000 0.000 0.249 135 A C 0.443 177.988 177.584 -0.065 0.000 1.084 135 A CA 0.027 52.014 52.037 -0.084 0.000 0.794 135 A CB 0.344 19.267 19.000 -0.128 0.000 1.034 135 A HN 0.397 nan 8.150 nan 0.000 0.491 136 N N 0.201 118.867 118.700 -0.056 0.000 2.399 136 N HA 0.512 5.252 4.740 0.000 0.000 0.280 136 N C -1.732 173.752 175.510 -0.042 0.000 1.008 136 N CA -0.167 52.857 53.050 -0.043 0.000 0.894 136 N CB 1.971 40.438 38.487 -0.033 0.000 1.273 136 N HN 0.326 nan 8.380 nan 0.000 0.486 137 V N 1.573 121.463 119.914 -0.040 0.000 2.760 137 V HA 0.454 4.574 4.120 0.000 0.000 0.309 137 V C -0.245 175.832 176.094 -0.027 0.000 1.077 137 V CA -0.498 61.780 62.300 -0.036 0.000 0.910 137 V CB 2.307 34.103 31.823 -0.045 0.000 1.008 137 V HN 0.539 nan 8.190 nan 0.000 0.424 138 T N 3.695 118.237 114.554 -0.020 0.000 2.824 138 T HA 0.699 5.050 4.350 0.000 0.000 0.282 138 T C -0.804 173.888 174.700 -0.014 0.000 0.993 138 T CA -0.445 61.645 62.100 -0.016 0.000 0.967 138 T CB 1.709 70.570 68.868 -0.013 0.000 0.960 138 T HN 0.386 nan 8.240 nan 0.000 0.441 139 V N 4.083 123.988 119.914 -0.015 0.000 2.525 139 V HA 0.492 4.612 4.120 0.000 0.000 0.299 139 V C -0.635 175.450 176.094 -0.014 0.000 1.034 139 V CA -0.791 61.500 62.300 -0.014 0.000 0.863 139 V CB 1.794 33.607 31.823 -0.016 0.000 0.999 139 V HN 0.830 nan 8.190 nan 0.000 0.423 140 Q N 3.069 122.859 119.800 -0.017 0.000 2.347 140 Q HA 0.615 4.955 4.340 0.000 0.000 0.271 140 Q C -0.404 175.578 176.000 -0.030 0.000 1.064 140 Q CA -1.032 54.759 55.803 -0.019 0.000 0.800 140 Q CB 2.553 31.282 28.738 -0.015 0.000 1.304 140 Q HN 0.604 nan 8.270 nan 0.000 0.438 141 R N 0.424 120.909 120.500 -0.025 0.000 3.225 141 R HA -0.157 4.183 4.340 0.000 0.000 0.245 141 R C -0.707 175.567 176.300 -0.043 0.000 0.928 141 R CA 0.506 56.587 56.100 -0.031 0.000 0.632 141 R CB -1.770 28.504 30.300 -0.044 0.000 1.038 141 R HN 0.550 nan 8.270 nan 0.000 0.461 142 S N -1.175 114.510 115.700 -0.026 0.000 2.851 142 S HA 0.948 5.418 4.470 0.000 0.000 0.317 142 S C -1.006 173.591 174.600 -0.005 0.000 1.144 142 S CA -0.302 57.884 58.200 -0.023 0.000 0.862 142 S CB 2.278 65.464 63.200 -0.023 0.000 1.259 142 S HN 0.490 nan 8.310 nan 0.000 0.564 143 A N 0.848 123.667 122.820 -0.002 0.000 2.513 143 A HA 0.666 4.986 4.320 0.000 0.000 0.296 143 A C -1.574 176.012 177.584 0.004 0.000 1.052 143 A CA -0.561 51.480 52.037 0.007 0.000 0.714 143 A CB 0.580 19.588 19.000 0.014 0.000 1.279 143 A HN 0.643 nan 8.150 nan 0.000 0.397 144 I N 3.884 124.457 120.570 0.004 0.000 2.282 144 I HA 0.142 4.312 4.170 0.000 0.000 0.290 144 I C 1.153 177.275 176.117 0.008 0.000 1.090 144 I CA -0.375 60.925 61.300 0.001 0.000 1.231 144 I CB 1.161 39.153 38.000 -0.013 0.000 1.434 144 I HN 0.526 nan 8.210 nan 0.000 0.487 145 V N 4.603 124.523 119.914 0.009 0.000 2.287 145 V HA -0.222 3.898 4.120 0.000 0.000 0.248 145 V C 1.513 177.614 176.094 0.013 0.000 1.053 145 V CA 2.347 64.653 62.300 0.010 0.000 1.027 145 V CB -0.512 31.314 31.823 0.006 0.000 0.646 145 V HN 0.954 nan 8.190 nan 0.000 0.447 146 D N -2.272 118.138 120.400 0.016 0.000 2.480 146 D HA 0.090 4.730 4.640 0.000 0.000 0.276 146 D C 1.568 177.892 176.300 0.039 0.000 1.294 146 D CA 0.886 54.900 54.000 0.022 0.000 0.829 146 D CB 0.358 41.165 40.800 0.013 0.000 1.242 146 D HN 0.405 nan 8.370 nan 0.000 0.513 147 G N 0.569 109.397 108.800 0.047 0.000 2.986 147 G HA2 0.462 4.423 3.960 0.000 0.000 0.213 147 G HA3 0.462 4.423 3.960 0.000 0.000 0.213 147 G C 0.985 175.969 174.900 0.140 0.000 1.156 147 G CA 0.394 45.551 45.100 0.095 0.000 0.763 147 G HN 0.657 nan 8.290 nan 0.000 0.547 148 G N -0.723 108.095 108.800 0.030 0.000 2.795 148 G HA2 0.107 4.068 3.960 0.000 0.000 0.664 148 G HA3 0.107 4.068 3.960 0.000 0.000 0.664 148 G C -0.877 173.795 174.900 -0.380 0.000 1.381 148 G CA -0.213 44.819 45.100 -0.112 0.000 0.853 148 G HN 1.039 nan 8.290 nan 0.000 0.545 149 L N 0.917 121.822 121.223 -0.529 0.000 2.316 149 L HA 0.793 5.133 4.340 0.000 0.000 0.280 149 L C -0.314 176.210 176.870 -0.577 0.000 1.006 149 L CA -1.008 53.575 54.840 -0.428 0.000 0.836 149 L CB 1.082 43.037 42.059 -0.172 0.000 1.221 149 L HN 0.662 nan 8.230 nan 0.000 0.418 150 H N 5.723 124.836 119.070 0.072 0.000 2.708 150 H HA 0.580 5.137 4.556 0.000 0.000 0.320 150 H C -0.812 174.522 175.328 0.009 0.000 0.991 150 H CA -0.480 55.613 56.048 0.075 0.000 1.243 150 H CB 1.138 31.004 29.762 0.174 0.000 1.446 150 H HN 0.513 nan 8.280 nan 0.000 0.502 151 I N 3.092 123.701 120.570 0.066 0.000 2.362 151 I HA 0.522 4.693 4.170 0.000 0.000 0.289 151 I C 0.895 176.994 176.117 -0.029 0.000 0.994 151 I CA -0.201 61.097 61.300 -0.005 0.000 1.158 151 I CB 1.417 39.407 38.000 -0.017 0.000 1.315 151 I HN 0.934 nan 8.210 nan 0.000 0.451 152 G N 4.412 113.165 108.800 -0.077 0.000 2.681 152 G HA2 0.214 4.174 3.960 0.000 0.000 0.220 152 G HA3 0.214 4.174 3.960 0.000 0.000 0.220 152 G C -0.753 174.051 174.900 -0.159 0.000 1.353 152 G CA -0.181 44.862 45.100 -0.096 0.000 0.872 152 G HN 1.241 nan 8.290 nan 0.000 0.557 153 A N -2.047 120.701 122.820 -0.120 0.000 2.515 153 A HA 0.947 5.267 4.320 0.000 0.000 0.299 153 A C -0.313 177.251 177.584 -0.034 0.000 1.179 153 A CA 0.112 52.074 52.037 -0.125 0.000 0.656 153 A CB 0.657 19.542 19.000 -0.192 0.000 1.306 153 A HN 1.698 nan 8.150 nan 0.000 0.459 154 L N -1.817 119.410 121.223 0.008 0.000 2.532 154 L HA 0.402 4.742 4.340 0.000 0.000 0.245 154 L C 0.986 177.882 176.870 0.045 0.000 1.319 154 L CA -1.135 53.723 54.840 0.030 0.000 1.365 154 L CB -0.334 41.753 42.059 0.046 0.000 1.736 154 L HN 0.870 nan 8.230 nan 0.000 0.517 155 Q N 0.072 119.902 119.800 0.051 0.000 2.712 155 Q HA -0.326 4.014 4.340 0.000 0.000 0.472 155 Q C 0.506 176.537 176.000 0.052 0.000 0.478 155 Q CA 2.088 57.925 55.803 0.055 0.000 1.019 155 Q CB -1.779 27.005 28.738 0.077 0.000 1.742 155 Q HN 0.713 nan 8.270 nan 0.000 1.116 156 S N 1.513 117.256 115.700 0.071 0.000 3.843 156 S HA -0.169 4.301 4.470 0.000 0.000 0.153 156 S C 0.282 174.906 174.600 0.040 0.000 0.375 156 S CA 0.156 58.395 58.200 0.065 0.000 1.383 156 S CB -1.176 62.065 63.200 0.069 0.000 1.467 156 S HN 0.230 nan 8.310 nan 0.000 0.283 157 L N 3.640 124.885 121.223 0.038 0.000 2.454 157 L HA 0.262 4.602 4.340 0.000 0.000 0.284 157 L C 0.671 177.553 176.870 0.020 0.000 1.139 157 L CA 0.397 55.252 54.840 0.026 0.000 0.911 157 L CB -0.074 42.000 42.059 0.025 0.000 1.262 157 L HN 0.577 nan 8.230 nan 0.000 0.453 158 Q N 3.779 123.587 119.800 0.013 0.000 2.352 158 Q HA 0.321 4.661 4.340 0.000 0.000 0.270 158 Q C -2.497 173.504 176.000 0.002 0.000 1.006 158 Q CA -1.969 53.837 55.803 0.006 0.000 0.880 158 Q CB 2.814 31.553 28.738 0.003 0.000 1.392 158 Q HN 0.232 nan 8.270 nan 0.000 0.401 159 P HA -0.199 nan 4.420 nan 0.000 0.251 159 P C -1.063 176.235 177.300 -0.004 0.000 1.105 159 P CA 1.177 64.275 63.100 -0.003 0.000 0.775 159 P CB 0.331 32.028 31.700 -0.004 0.000 0.689 160 E N 2.122 122.320 120.200 -0.004 0.000 2.469 160 E HA 0.733 5.083 4.350 0.000 0.000 0.246 160 E C 0.038 176.633 176.600 -0.008 0.000 0.969 160 E CA -0.449 55.947 56.400 -0.007 0.000 0.881 160 E CB 1.073 30.770 29.700 -0.006 0.000 1.320 160 E HN 0.337 nan 8.360 nan 0.000 0.421 161 D N -2.080 118.314 120.400 -0.010 0.000 4.461 161 D HA 0.215 4.855 4.640 0.000 0.000 0.353 161 D C -0.052 176.241 176.300 -0.012 0.000 1.668 161 D CA -0.430 53.564 54.000 -0.011 0.000 0.985 161 D CB -0.399 40.394 40.800 -0.011 0.000 1.496 161 D HN 0.314 nan 8.370 nan 0.000 0.647 162 L N 0.483 121.698 121.223 -0.013 0.000 2.040 162 L HA 0.321 4.661 4.340 0.000 0.000 0.208 162 L C -0.981 175.879 176.870 -0.017 0.000 1.186 162 L CA -0.253 54.578 54.840 -0.014 0.000 1.017 162 L CB -1.372 40.680 42.059 -0.013 0.000 1.011 162 L HN 0.391 nan 8.230 nan 0.000 0.561 163 P HA 0.082 nan 4.420 nan 0.000 0.267 163 P C -2.531 174.754 177.300 -0.025 0.000 1.201 163 P CA -0.622 62.466 63.100 -0.021 0.000 0.775 163 P CB -0.582 31.105 31.700 -0.022 0.000 0.854 164 P HA 0.127 nan 4.420 nan 0.000 0.282 164 P C -0.452 176.828 177.300 -0.033 0.000 1.249 164 P CA -0.283 62.800 63.100 -0.027 0.000 0.806 164 P CB 0.672 32.359 31.700 -0.022 0.000 0.984 165 S N 2.447 118.123 115.700 -0.039 0.000 2.549 165 S HA 0.224 4.695 4.470 0.000 0.000 0.279 165 S C 0.374 174.952 174.600 -0.037 0.000 1.321 165 S CA -0.347 57.825 58.200 -0.047 0.000 1.054 165 S CB 0.064 63.229 63.200 -0.059 0.000 0.899 165 S HN 0.314 nan 8.310 nan 0.000 0.497 166 R N 1.865 122.342 120.500 -0.037 0.000 2.409 166 R HA 0.546 4.887 4.340 0.000 0.000 0.313 166 R C -1.516 174.765 176.300 -0.032 0.000 0.953 166 R CA -0.499 55.583 56.100 -0.030 0.000 0.849 166 R CB 1.539 31.823 30.300 -0.028 0.000 1.171 166 R HN 0.357 nan 8.270 nan 0.000 0.458 167 V N 3.735 123.633 119.914 -0.027 0.000 2.540 167 V HA 0.456 4.576 4.120 0.000 0.000 0.302 167 V C -0.396 175.687 176.094 -0.019 0.000 1.035 167 V CA -0.849 61.435 62.300 -0.026 0.000 0.873 167 V CB 2.255 34.060 31.823 -0.029 0.000 0.992 167 V HN 0.410 nan 8.190 nan 0.000 0.428 168 V N 6.043 125.945 119.914 -0.020 0.000 2.487 168 V HA 0.545 4.665 4.120 0.000 0.000 0.298 168 V C -0.432 175.654 176.094 -0.014 0.000 1.028 168 V CA -0.432 61.858 62.300 -0.016 0.000 0.860 168 V CB 1.786 33.596 31.823 -0.021 0.000 0.991 168 V HN 0.632 nan 8.190 nan 0.000 0.427 169 L N 4.812 126.030 121.223 -0.008 0.000 2.346 169 L HA 0.749 5.089 4.340 0.000 0.000 0.274 169 L C -0.336 176.530 176.870 -0.007 0.000 1.007 169 L CA -0.809 54.025 54.840 -0.009 0.000 0.818 169 L CB 2.355 44.409 42.059 -0.009 0.000 1.284 169 L HN 0.644 nan 8.230 nan 0.000 0.424 170 R N 2.316 122.811 120.500 -0.009 0.000 2.500 170 R HA 0.266 4.606 4.340 0.000 0.000 0.299 170 R C -1.077 175.217 176.300 -0.010 0.000 1.038 170 R CA -0.295 55.800 56.100 -0.009 0.000 0.903 170 R CB 0.844 31.139 30.300 -0.009 0.000 1.177 170 R HN 0.664 nan 8.270 nan 0.000 0.455 171 D N 1.626 122.018 120.400 -0.012 0.000 2.723 171 D HA -0.170 4.470 4.640 0.000 0.000 0.236 171 D C -1.014 175.286 176.300 -0.001 0.000 1.138 171 D CA 1.925 55.919 54.000 -0.009 0.000 0.676 171 D CB -0.564 40.235 40.800 -0.003 0.000 1.069 171 D HN 0.540 nan 8.370 nan 0.000 0.430 172 T N -0.275 114.278 114.554 -0.002 0.000 2.824 172 T HA 0.406 4.756 4.350 0.000 0.000 0.282 172 T C -0.184 174.528 174.700 0.020 0.000 0.993 172 T CA -0.793 61.311 62.100 0.007 0.000 0.967 172 T CB 0.947 69.813 68.868 -0.003 0.000 0.960 172 T HN -0.053 nan 8.240 nan 0.000 0.441 173 N N 2.996 121.722 118.700 0.044 0.000 2.518 173 N HA 0.490 5.231 4.740 0.000 0.000 0.283 173 N C -0.867 174.668 175.510 0.041 0.000 1.119 173 N CA -0.359 52.733 53.050 0.070 0.000 0.983 173 N CB 1.744 40.295 38.487 0.107 0.000 1.139 173 N HN 0.436 nan 8.380 nan 0.000 0.465 174 V N 1.253 121.194 119.914 0.045 0.000 2.483 174 V HA 0.450 4.570 4.120 0.000 0.000 0.297 174 V C -0.169 175.951 176.094 0.043 0.000 1.027 174 V CA -0.543 61.773 62.300 0.026 0.000 0.855 174 V CB 1.797 33.623 31.823 0.006 0.000 0.995 174 V HN 0.628 nan 8.190 nan 0.000 0.424 175 T N 3.606 118.181 114.554 0.035 0.000 2.886 175 T HA 0.733 5.083 4.350 0.000 0.000 0.292 175 T C -0.343 174.386 174.700 0.048 0.000 1.012 175 T CA -0.389 61.738 62.100 0.045 0.000 0.982 175 T CB 1.832 70.719 68.868 0.032 0.000 1.018 175 T HN 0.899 nan 8.240 nan 0.000 0.451 176 A N 3.030 125.892 122.820 0.070 0.000 2.360 176 A HA 0.682 5.002 4.320 0.000 0.000 0.309 176 A C 0.049 177.673 177.584 0.067 0.000 1.311 176 A CA -0.532 51.558 52.037 0.088 0.000 0.805 176 A CB 0.405 19.489 19.000 0.139 0.000 1.144 176 A HN 0.691 nan 8.150 nan 0.000 0.486 177 V N 4.607 124.548 119.914 0.045 0.000 2.843 177 V HA 0.109 4.230 4.120 0.000 0.000 0.305 177 V C -1.167 174.943 176.094 0.026 0.000 1.065 177 V CA -0.817 61.497 62.300 0.024 0.000 1.116 177 V CB 1.495 33.327 31.823 0.015 0.000 0.968 177 V HN 0.785 nan 8.190 nan 0.000 0.487 178 P HA -0.199 nan 4.420 nan 0.000 0.216 178 P C 1.439 178.747 177.300 0.012 0.000 1.150 178 P CA 1.948 65.055 63.100 0.012 0.000 0.843 178 P CB 0.071 31.769 31.700 -0.003 0.000 0.787 179 A N 0.181 123.006 122.820 0.008 0.000 1.873 179 A HA -0.185 4.135 4.320 0.000 0.000 0.218 179 A C 1.473 179.057 177.584 0.000 0.000 1.193 179 A CA 2.034 54.074 52.037 0.004 0.000 0.629 179 A CB -1.726 17.274 19.000 0.001 0.000 0.826 179 A HN 0.372 nan 8.150 nan 0.000 0.447 180 S N 0.535 116.240 115.700 0.007 0.000 2.686 180 S HA 0.381 4.852 4.470 0.000 0.000 0.324 180 S C 0.807 175.417 174.600 0.016 0.000 1.172 180 S CA -0.050 58.155 58.200 0.008 0.000 1.127 180 S CB -0.063 63.159 63.200 0.036 0.000 1.338 180 S HN 0.839 nan 8.310 nan 0.000 0.547 181 G N 2.624 111.419 108.800 -0.008 0.000 3.272 181 G HA2 0.343 4.303 3.960 0.000 0.000 0.220 181 G HA3 0.343 4.303 3.960 0.000 0.000 0.220 181 G C 0.514 175.408 174.900 -0.010 0.000 1.130 181 G CA -0.114 44.981 45.100 -0.007 0.000 1.657 181 G HN 1.153 nan 8.290 nan 0.000 0.557 182 A N 0.750 123.586 122.820 0.028 0.000 2.454 182 A HA 0.535 4.855 4.320 0.000 0.000 0.260 182 A C -0.646 176.996 177.584 0.095 0.000 1.106 182 A CA -1.124 50.945 52.037 0.054 0.000 0.780 182 A CB 1.001 20.126 19.000 0.207 0.000 1.044 182 A HN 0.204 nan 8.150 nan 0.000 0.498 183 P HA -0.030 nan 4.420 nan 0.000 0.218 183 P C 0.366 177.744 177.300 0.131 0.000 1.149 183 P CA 2.010 65.164 63.100 0.090 0.000 0.817 183 P CB 0.276 32.013 31.700 0.062 0.000 0.785 184 A N -1.926 120.993 122.820 0.165 0.000 2.469 184 A HA 0.697 5.017 4.320 0.000 0.000 0.299 184 A C 0.983 178.696 177.584 0.216 0.000 1.098 184 A CA -0.013 52.125 52.037 0.168 0.000 0.737 184 A CB 1.028 20.100 19.000 0.120 0.000 1.312 184 A HN -0.022 nan 8.150 nan 0.000 0.414 185 A N 0.141 123.072 122.820 0.185 0.000 1.930 185 A HA 0.415 4.735 4.320 0.000 0.000 0.215 185 A C 0.554 178.168 177.584 0.051 0.000 1.176 185 A CA 1.519 53.642 52.037 0.143 0.000 0.632 185 A CB -0.165 18.926 19.000 0.152 0.000 0.819 185 A HN 1.112 nan 8.150 nan 0.000 0.445 186 V N 1.200 121.147 119.914 0.055 0.000 2.482 186 V HA 0.484 4.604 4.120 0.000 0.000 0.295 186 V C -0.603 175.525 176.094 0.057 0.000 1.026 186 V CA -0.150 62.153 62.300 0.005 0.000 0.856 186 V CB 1.535 33.359 31.823 0.002 0.000 1.001 186 V HN 0.472 nan 8.190 nan 0.000 0.424 187 S N 4.136 119.895 115.700 0.098 0.000 2.502 187 S HA 0.834 5.304 4.470 0.000 0.000 0.304 187 S C -0.972 173.678 174.600 0.083 0.000 1.097 187 S CA -0.730 57.547 58.200 0.129 0.000 1.045 187 S CB 1.907 65.246 63.200 0.231 0.000 1.019 187 S HN 0.429 nan 8.310 nan 0.000 0.481 188 V N 4.304 124.245 119.914 0.045 0.000 2.357 188 V HA 0.464 4.584 4.120 0.000 0.000 0.281 188 V C -0.663 175.439 176.094 0.013 0.000 1.015 188 V CA -0.526 61.785 62.300 0.019 0.000 0.827 188 V CB 0.468 32.294 31.823 0.005 0.000 1.018 188 V HN 0.899 nan 8.190 nan 0.000 0.432 189 L N 3.954 125.182 121.223 0.009 0.000 2.362 189 L HA 0.958 5.298 4.340 0.000 0.000 0.271 189 L C 1.017 177.880 176.870 -0.012 0.000 1.002 189 L CA -0.223 54.619 54.840 0.002 0.000 0.818 189 L CB 1.684 43.749 42.059 0.011 0.000 1.298 189 L HN 0.814 nan 8.230 nan 0.000 0.420 190 G N 1.959 110.753 108.800 -0.011 0.000 2.552 190 G HA2 -0.229 3.731 3.960 0.000 0.000 0.265 190 G HA3 -0.229 3.731 3.960 0.000 0.000 0.265 190 G C 0.197 175.087 174.900 -0.017 0.000 1.234 190 G CA -0.048 45.044 45.100 -0.014 0.000 0.944 190 G HN 1.110 nan 8.290 nan 0.000 0.568 191 A N 0.281 123.089 122.820 -0.020 0.000 2.981 191 A HA 0.591 4.911 4.320 0.000 0.000 0.280 191 A C 0.644 178.213 177.584 -0.024 0.000 1.797 191 A CA 1.475 53.500 52.037 -0.020 0.000 1.456 191 A CB -0.888 18.099 19.000 -0.021 0.000 1.057 191 A HN 1.820 nan 8.150 nan 0.000 0.602 192 S N 0.861 116.548 115.700 -0.021 0.000 2.541 192 S HA 0.588 5.058 4.470 0.000 0.000 0.271 192 S C -0.903 173.689 174.600 -0.015 0.000 1.133 192 S CA -0.808 57.378 58.200 -0.022 0.000 0.876 192 S CB 1.815 65.001 63.200 -0.023 0.000 1.105 192 S HN 0.679 nan 8.310 nan 0.000 0.470 193 E N 0.924 121.115 120.200 -0.015 0.000 2.275 193 E HA 0.565 4.915 4.350 0.000 0.000 0.270 193 E C -1.748 174.849 176.600 -0.005 0.000 0.882 193 E CA -0.725 55.671 56.400 -0.007 0.000 0.758 193 E CB 2.361 32.056 29.700 -0.009 0.000 1.195 193 E HN 0.318 nan 8.360 nan 0.000 0.419 194 L N 1.786 123.013 121.223 0.007 0.000 2.385 194 L HA 0.566 4.906 4.340 0.000 0.000 0.273 194 L C -1.246 175.646 176.870 0.037 0.000 0.990 194 L CA -0.011 54.835 54.840 0.011 0.000 0.821 194 L CB 2.266 44.329 42.059 0.007 0.000 1.279 194 L HN 0.446 nan 8.230 nan 0.000 0.412 195 T N 6.155 120.727 114.554 0.029 0.000 2.809 195 T HA 0.608 4.958 4.350 0.000 0.000 0.284 195 T C -1.144 173.584 174.700 0.046 0.000 0.992 195 T CA -0.205 61.926 62.100 0.051 0.000 0.957 195 T CB 1.057 69.916 68.868 -0.014 0.000 0.942 195 T HN 0.626 nan 8.240 nan 0.000 0.439 196 L N 3.499 124.774 121.223 0.086 0.000 2.409 196 L HA 0.693 5.033 4.340 0.000 0.000 0.272 196 L C -1.638 175.272 176.870 0.067 0.000 0.980 196 L CA -0.578 54.292 54.840 0.049 0.000 0.826 196 L CB 1.655 43.729 42.059 0.025 0.000 1.268 196 L HN 0.466 nan 8.230 nan 0.000 0.407 197 D N 4.231 124.650 120.400 0.031 0.000 2.505 197 D HA 0.637 5.277 4.640 0.000 0.000 0.250 197 D C -0.144 176.152 176.300 -0.006 0.000 1.164 197 D CA 0.814 54.829 54.000 0.026 0.000 0.870 197 D CB 1.769 42.583 40.800 0.022 0.000 1.160 197 D HN 0.955 nan 8.370 nan 0.000 0.549 198 G N 1.818 110.602 108.800 -0.027 0.000 2.767 198 G HA2 0.482 4.442 3.960 0.000 0.000 0.686 198 G HA3 0.482 4.442 3.960 0.000 0.000 0.686 198 G C 0.160 175.005 174.900 -0.092 0.000 1.213 198 G CA -0.207 44.856 45.100 -0.062 0.000 0.803 198 G HN 1.432 nan 8.290 nan 0.000 0.603 199 G N 0.739 109.422 108.800 -0.195 0.000 2.335 199 G HA2 0.548 4.508 3.960 0.000 0.000 0.592 199 G HA3 0.548 4.508 3.960 0.000 0.000 0.592 199 G C -1.039 173.642 174.900 -0.366 0.000 1.442 199 G CA -0.004 44.982 45.100 -0.190 0.000 0.976 199 G HN 1.622 nan 8.290 nan 0.000 0.652 200 H N -0.618 118.463 119.070 0.018 0.000 2.481 200 H HA 0.682 5.238 4.556 0.000 0.000 0.333 200 H C 0.131 175.478 175.328 0.031 0.000 1.066 200 H CA -0.424 55.639 56.048 0.024 0.000 1.209 200 H CB 1.652 31.424 29.762 0.017 0.000 1.445 200 H HN 0.487 nan 8.280 nan 0.000 0.488 201 I N 3.088 123.739 120.570 0.135 0.000 2.382 201 I HA 0.280 4.450 4.170 0.000 0.000 0.286 201 I C -0.322 175.884 176.117 0.147 0.000 1.002 201 I CA -0.413 60.957 61.300 0.117 0.000 1.135 201 I CB 1.459 39.516 38.000 0.095 0.000 1.288 201 I HN 0.592 nan 8.210 nan 0.000 0.448 202 T N 2.874 117.503 114.554 0.125 0.000 2.916 202 T HA 0.864 5.214 4.350 0.000 0.000 0.298 202 T C -0.182 174.580 174.700 0.103 0.000 1.031 202 T CA 0.091 62.252 62.100 0.102 0.000 0.993 202 T CB 1.867 70.761 68.868 0.045 0.000 1.045 202 T HN 1.152 nan 8.240 nan 0.000 0.454 203 G N 1.272 110.139 108.800 0.112 0.000 2.447 203 G HA2 0.504 4.465 3.960 0.000 0.000 0.220 203 G HA3 0.504 4.465 3.960 0.000 0.000 0.220 203 G C 0.210 175.313 174.900 0.338 0.000 1.261 203 G CA 0.191 45.368 45.100 0.129 0.000 1.000 203 G HN 2.749 nan 8.290 nan 0.000 0.515 204 G N -1.353 107.611 108.800 0.273 0.000 3.055 204 G HA2 0.303 4.263 3.960 0.000 0.000 0.686 204 G HA3 0.303 4.263 3.960 0.000 0.000 0.686 204 G C 0.528 175.643 174.900 0.358 0.000 1.087 204 G CA 0.678 45.973 45.100 0.325 0.000 0.779 204 G HN 1.342 nan 8.290 nan 0.000 0.599 205 R N 1.558 122.196 120.500 0.230 0.000 2.073 205 R HA 0.083 4.423 4.340 0.000 0.000 0.234 205 R C 2.651 179.119 176.300 0.281 0.000 1.134 205 R CA 2.526 58.744 56.100 0.196 0.000 0.952 205 R CB -0.141 30.226 30.300 0.112 0.000 0.850 205 R HN 1.103 nan 8.270 nan 0.000 0.433 206 A N -0.939 122.008 122.820 0.212 0.000 2.229 206 A HA 0.512 4.832 4.320 0.000 0.000 0.211 206 A C 0.202 177.730 177.584 -0.095 0.000 1.193 206 A CA 0.467 52.586 52.037 0.135 0.000 0.879 206 A CB 0.631 19.692 19.000 0.101 0.000 0.911 206 A HN 0.407 nan 8.150 nan 0.000 0.492 207 A N -2.429 120.279 122.820 -0.187 0.000 2.601 207 A HA 0.574 4.894 4.320 0.000 0.000 0.291 207 A C 0.830 178.245 177.584 -0.282 0.000 1.075 207 A CA 0.148 51.825 52.037 -0.600 0.000 0.671 207 A CB -0.104 18.737 19.000 -0.265 0.000 1.277 207 A HN 0.657 nan 8.150 nan 0.000 0.417 208 G N -0.521 108.018 108.800 -0.435 0.000 2.425 208 G HA2 0.377 4.337 3.960 0.000 0.000 0.213 208 G HA3 0.377 4.337 3.960 0.000 0.000 0.213 208 G C 0.142 175.070 174.900 0.046 0.000 1.201 208 G CA 1.346 46.528 45.100 0.138 0.000 0.799 208 G HN 1.150 nan 8.290 nan 0.000 0.534 209 V N 0.681 120.566 119.914 -0.049 0.000 2.487 209 V HA 0.733 4.853 4.120 0.000 0.000 0.298 209 V C -0.389 175.674 176.094 -0.052 0.000 1.028 209 V CA -0.778 61.507 62.300 -0.024 0.000 0.860 209 V CB 1.385 33.196 31.823 -0.021 0.000 0.991 209 V HN 0.515 nan 8.190 nan 0.000 0.427 210 A N 3.767 126.577 122.820 -0.017 0.000 2.318 210 A HA 0.927 5.247 4.320 0.000 0.000 0.317 210 A C -0.137 177.441 177.584 -0.010 0.000 1.159 210 A CA -0.371 51.653 52.037 -0.022 0.000 0.799 210 A CB 1.432 20.435 19.000 0.005 0.000 1.194 210 A HN 1.383 nan 8.150 nan 0.000 0.479 211 A N 4.121 126.925 122.820 -0.027 0.000 2.323 211 A HA 0.696 5.016 4.320 0.000 0.000 0.305 211 A C -0.501 177.069 177.584 -0.024 0.000 1.275 211 A CA -0.412 51.613 52.037 -0.020 0.000 0.804 211 A CB 0.310 19.293 19.000 -0.027 0.000 1.152 211 A HN 0.718 nan 8.150 nan 0.000 0.487 212 M N 1.017 120.610 119.600 -0.012 0.000 2.535 212 M HA 0.434 4.914 4.480 0.000 0.000 0.314 212 M C -0.052 176.242 176.300 -0.009 0.000 1.153 212 M CA -0.314 54.979 55.300 -0.012 0.000 0.924 212 M CB 1.054 33.653 32.600 -0.001 0.000 1.710 212 M HN 0.782 nan 8.290 nan 0.000 0.451 213 Q N 0.917 120.710 119.800 -0.011 0.000 2.447 213 Q HA -0.192 4.148 4.340 0.000 0.000 0.348 213 Q C 0.701 176.695 176.000 -0.010 0.000 1.421 213 Q CA 0.931 56.728 55.803 -0.009 0.000 0.978 213 Q CB -1.865 26.870 28.738 -0.004 0.000 1.191 213 Q HN 1.269 nan 8.270 nan 0.000 0.371 214 G N -1.847 106.946 108.800 -0.012 0.000 2.157 214 G HA2 -0.223 3.737 3.960 0.000 0.000 0.248 214 G HA3 -0.223 3.737 3.960 0.000 0.000 0.248 214 G C 0.303 175.196 174.900 -0.012 0.000 0.979 214 G CA 0.159 45.252 45.100 -0.012 0.000 0.650 214 G HN 1.134 nan 8.290 nan 0.000 0.529 215 A N -0.761 122.052 122.820 -0.012 0.000 2.406 215 A HA 0.666 4.986 4.320 0.000 0.000 0.243 215 A C 0.361 177.940 177.584 -0.008 0.000 1.082 215 A CA 0.729 52.760 52.037 -0.010 0.000 0.786 215 A CB 0.979 19.974 19.000 -0.009 0.000 1.029 215 A HN 1.267 nan 8.150 nan 0.000 0.495 216 V N 2.170 122.082 119.914 -0.003 0.000 2.447 216 V HA 0.444 4.564 4.120 0.000 0.000 0.292 216 V C -0.687 175.415 176.094 0.014 0.000 1.021 216 V CA -0.385 61.918 62.300 0.004 0.000 0.850 216 V CB 1.362 33.189 31.823 0.007 0.000 1.005 216 V HN 0.669 nan 8.190 nan 0.000 0.426 217 V N 3.940 123.864 119.914 0.017 0.000 2.588 217 V HA 0.516 4.636 4.120 0.000 0.000 0.304 217 V C -0.575 175.546 176.094 0.045 0.000 1.042 217 V CA -0.605 61.710 62.300 0.025 0.000 0.877 217 V CB 2.050 33.872 31.823 -0.003 0.000 0.996 217 V HN 0.898 nan 8.190 nan 0.000 0.425 218 H N 5.762 124.821 119.070 -0.018 0.000 2.675 218 H HA 0.469 5.025 4.556 0.000 0.000 0.258 218 H C -1.263 174.055 175.328 -0.017 0.000 1.271 218 H CA -0.400 55.638 56.048 -0.017 0.000 1.462 218 H CB 0.877 30.629 29.762 -0.017 0.000 1.467 218 H HN 0.519 nan 8.280 nan 0.000 0.501 219 L N 4.003 125.101 121.223 -0.207 0.000 2.290 219 L HA 0.360 4.700 4.340 0.000 0.000 0.284 219 L C 0.214 176.990 176.870 -0.156 0.000 1.078 219 L CA -0.151 54.624 54.840 -0.108 0.000 0.815 219 L CB 1.341 43.353 42.059 -0.079 0.000 1.162 219 L HN 0.470 nan 8.230 nan 0.000 0.435 220 Q N 3.291 123.082 119.800 -0.015 0.000 2.345 220 Q HA 0.388 4.728 4.340 0.000 0.000 0.275 220 Q C -0.628 175.372 176.000 0.000 0.000 1.063 220 Q CA -0.809 55.002 55.803 0.013 0.000 0.819 220 Q CB 1.695 30.526 28.738 0.156 0.000 1.356 220 Q HN 0.532 nan 8.270 nan 0.000 0.418 221 R N 0.042 120.534 120.500 -0.013 0.000 3.416 221 R HA -0.228 4.112 4.340 0.000 0.000 0.263 221 R C -1.156 175.098 176.300 -0.076 0.000 1.053 221 R CA 0.832 56.913 56.100 -0.032 0.000 0.705 221 R CB -2.011 28.275 30.300 -0.024 0.000 1.124 221 R HN 0.524 nan 8.270 nan 0.000 0.444 222 A N -0.033 122.745 122.820 -0.071 0.000 2.350 222 A HA 0.780 5.100 4.320 0.000 0.000 0.318 222 A C 0.238 177.782 177.584 -0.068 0.000 1.132 222 A CA -0.041 51.935 52.037 -0.100 0.000 0.811 222 A CB 1.526 20.493 19.000 -0.056 0.000 1.313 222 A HN 0.247 nan 8.150 nan 0.000 0.454 223 T N -1.142 113.375 114.554 -0.062 0.000 2.824 223 T HA 0.694 5.044 4.350 0.000 0.000 0.282 223 T C -0.766 173.992 174.700 0.096 0.000 0.993 223 T CA -0.254 61.876 62.100 0.050 0.000 0.967 223 T CB 0.616 69.579 68.868 0.158 0.000 0.960 223 T HN 0.416 nan 8.240 nan 0.000 0.441 224 I N 3.241 123.886 120.570 0.125 0.000 2.537 224 I HA 0.383 4.553 4.170 0.000 0.000 0.276 224 I C 0.294 176.577 176.117 0.276 0.000 1.063 224 I CA -0.701 60.711 61.300 0.188 0.000 1.144 224 I CB 0.832 38.933 38.000 0.168 0.000 1.252 224 I HN 0.479 nan 8.210 nan 0.000 0.480 225 R N 3.254 123.877 120.500 0.205 0.000 2.720 225 R HA 0.492 4.832 4.340 0.000 0.000 0.272 225 R C 1.045 177.265 176.300 -0.133 0.000 0.991 225 R CA -0.850 55.285 56.100 0.059 0.000 1.010 225 R CB 2.042 32.338 30.300 -0.006 0.000 1.141 225 R HN 0.430 nan 8.270 nan 0.000 0.494 226 R N 0.972 121.057 120.500 -0.692 0.000 2.119 226 R HA 0.006 4.346 4.340 0.000 0.000 0.222 226 R C 0.779 176.785 176.300 -0.489 0.000 1.088 226 R CA 0.901 56.323 56.100 -1.131 0.000 0.984 226 R CB -0.201 29.067 30.300 -1.720 0.000 0.884 226 R HN 0.786 nan 8.270 nan 0.000 0.447 227 G N 0.982 109.591 108.800 -0.318 0.000 2.712 227 G HA2 0.155 4.115 3.960 0.000 0.000 0.258 227 G HA3 0.155 4.115 3.960 0.000 0.000 0.258 227 G C -0.613 174.221 174.900 -0.110 0.000 1.241 227 G CA 0.444 45.433 45.100 -0.185 0.000 0.923 227 G HN 0.597 nan 8.290 nan 0.000 0.548 228 D N -3.068 117.287 120.400 -0.076 0.000 3.132 228 D HA 0.512 5.152 4.640 0.000 0.000 0.321 228 D C -0.459 175.819 176.300 -0.037 0.000 1.384 228 D CA 0.668 54.642 54.000 -0.043 0.000 0.739 228 D CB -0.290 40.498 40.800 -0.021 0.000 1.293 228 D HN 2.161 nan 8.370 nan 0.000 0.454 229 A N -0.782 122.025 122.820 -0.022 0.000 2.360 229 A HA 0.609 4.929 4.320 0.000 0.000 0.478 229 A C -0.868 176.709 177.584 -0.012 0.000 0.557 229 A CA -0.314 51.713 52.037 -0.017 0.000 0.443 229 A CB -0.751 18.235 19.000 -0.023 0.000 2.547 229 A HN 2.266 nan 8.150 nan 0.000 0.425 230 L N -0.723 120.496 121.223 -0.008 0.000 0.586 230 L HA 0.501 4.842 4.340 0.000 0.000 0.356 230 L C -0.404 176.465 176.870 -0.002 0.000 0.923 230 L CA 1.050 55.887 54.840 -0.006 0.000 1.223 230 L CB -0.526 41.529 42.059 -0.007 0.000 0.017 230 L HN 3.225 nan 8.230 nan 0.000 0.091 231 A N 1.349 124.167 122.820 -0.004 0.000 0.939 231 A HA 0.630 4.950 4.320 0.000 0.000 0.230 231 A C -0.023 177.556 177.584 -0.009 0.000 0.610 231 A CA 0.742 52.777 52.037 -0.004 0.000 0.446 231 A CB -1.012 17.988 19.000 0.001 0.000 0.919 231 A HN 2.805 nan 8.150 nan 0.000 0.336 232 G N 0.366 109.160 108.800 -0.011 0.000 2.539 232 G HA2 0.699 4.659 3.960 0.000 0.000 0.138 232 G HA3 0.699 4.659 3.960 0.000 0.000 0.138 232 G C 0.685 175.571 174.900 -0.023 0.000 1.148 232 G CA 1.174 46.262 45.100 -0.020 0.000 1.057 232 G HN 1.867 nan 8.290 nan 0.000 0.511 233 G N -0.114 108.667 108.800 -0.031 0.000 2.728 233 G HA2 0.673 4.634 3.960 0.000 0.000 0.223 233 G HA3 0.673 4.634 3.960 0.000 0.000 0.223 233 G C 0.626 175.513 174.900 -0.022 0.000 1.379 233 G CA 1.640 46.720 45.100 -0.033 0.000 0.870 233 G HN 1.743 nan 8.290 nan 0.000 0.591 234 A N -1.064 121.744 122.820 -0.021 0.000 2.681 234 A HA 0.658 4.978 4.320 0.000 0.000 0.278 234 A C -0.998 176.581 177.584 -0.007 0.000 1.272 234 A CA 0.282 52.313 52.037 -0.011 0.000 0.750 234 A CB 0.890 19.885 19.000 -0.008 0.000 1.351 234 A HN 1.115 nan 8.150 nan 0.000 0.514 235 V N -0.247 119.667 119.914 -0.000 0.000 2.225 235 V HA 0.489 4.610 4.120 0.000 0.000 0.264 235 V C -1.628 174.472 176.094 0.010 0.000 1.067 235 V CA -0.713 61.589 62.300 0.003 0.000 0.903 235 V CB -0.878 30.946 31.823 0.002 0.000 1.136 235 V HN 0.806 nan 8.190 nan 0.000 0.456 236 P HA 0.545 nan 4.420 nan 0.000 0.250 236 P C 0.615 177.929 177.300 0.024 0.000 1.202 236 P CA 0.565 63.681 63.100 0.027 0.000 0.722 236 P CB 0.261 31.985 31.700 0.040 0.000 1.432 237 G N -1.439 107.379 108.800 0.030 0.000 2.432 237 G HA2 0.523 4.483 3.960 0.000 0.000 0.331 237 G HA3 0.523 4.483 3.960 0.000 0.000 0.331 237 G C -0.629 174.282 174.900 0.018 0.000 1.170 237 G CA -0.523 44.592 45.100 0.025 0.000 0.943 237 G HN 0.463 nan 8.290 nan 0.000 0.483 238 G N -0.307 108.499 108.800 0.012 0.000 2.391 238 G HA2 0.622 4.582 3.960 0.000 0.000 0.305 238 G HA3 0.622 4.582 3.960 0.000 0.000 0.305 238 G C 0.620 175.525 174.900 0.008 0.000 1.072 238 G CA 0.822 45.926 45.100 0.006 0.000 1.016 238 G HN 2.057 nan 8.290 nan 0.000 0.418 239 A N 2.060 124.885 122.820 0.009 0.000 1.554 239 A HA 0.033 4.353 4.320 0.000 0.000 0.210 239 A C 1.440 179.036 177.584 0.020 0.000 1.250 239 A CA 0.399 52.442 52.037 0.011 0.000 0.617 239 A CB -1.981 17.021 19.000 0.005 0.000 1.224 239 A HN 2.355 nan 8.150 nan 0.000 0.190 240 V N 0.644 120.578 119.914 0.034 0.000 2.376 240 V HA -0.303 3.817 4.120 0.000 0.000 0.207 240 V C 0.321 176.430 176.094 0.025 0.000 0.886 240 V CA 2.005 64.332 62.300 0.044 0.000 1.043 240 V CB -1.837 30.023 31.823 0.062 0.000 0.756 240 V HN 1.300 nan 8.190 nan 0.000 0.546 241 P HA 0.282 nan 4.420 nan 0.000 0.280 241 P C 0.916 178.223 177.300 0.011 0.000 1.431 241 P CA 0.863 63.972 63.100 0.015 0.000 1.058 241 P CB 0.271 31.975 31.700 0.007 0.000 1.521 242 G N 0.283 109.088 108.800 0.008 0.000 3.234 242 G HA2 0.178 4.138 3.960 0.000 0.000 0.221 242 G HA3 0.178 4.138 3.960 0.000 0.000 0.221 242 G C 0.867 175.762 174.900 -0.007 0.000 1.229 242 G CA 0.224 45.321 45.100 -0.004 0.000 0.909 242 G HN 0.355 nan 8.290 nan 0.000 0.510 243 G N -0.336 108.474 108.800 0.017 0.000 2.711 243 G HA2 0.519 4.479 3.960 0.000 0.000 0.186 243 G HA3 0.519 4.479 3.960 0.000 0.000 0.186 243 G C 0.414 175.317 174.900 0.004 0.000 1.635 243 G CA 0.553 45.671 45.100 0.030 0.000 1.065 243 G HN 1.490 nan 8.290 nan 0.000 0.545 244 A N -2.517 120.320 122.820 0.028 0.000 2.441 244 A HA 0.308 4.628 4.320 0.000 0.000 0.666 244 A C -0.429 177.165 177.584 0.016 0.000 0.212 244 A CA -0.181 51.862 52.037 0.010 0.000 0.178 244 A CB -1.575 17.417 19.000 -0.013 0.000 3.848 244 A HN 1.869 nan 8.150 nan 0.000 0.538 245 V N 1.637 121.585 119.914 0.056 0.000 2.667 245 V HA 0.919 5.039 4.120 0.000 0.000 0.308 245 V C -1.037 175.122 176.094 0.109 0.000 1.048 245 V CA -1.329 61.031 62.300 0.100 0.000 0.928 245 V CB 1.488 33.437 31.823 0.210 0.000 1.004 245 V HN 0.976 nan 8.190 nan 0.000 0.444 246 P HA 0.480 nan 4.420 nan 0.000 0.272 246 P C 0.367 177.790 177.300 0.206 0.000 1.223 246 P CA 0.815 64.003 63.100 0.145 0.000 0.784 246 P CB 1.683 33.465 31.700 0.136 0.000 0.923 247 G N 0.006 108.945 108.800 0.233 0.000 4.366 247 G HA2 0.346 4.306 3.960 0.000 0.000 0.194 247 G HA3 0.346 4.306 3.960 0.000 0.000 0.194 247 G C 0.248 175.382 174.900 0.390 0.000 1.275 247 G CA 0.883 46.244 45.100 0.434 0.000 0.847 247 G HN 1.020 nan 8.290 nan 0.000 0.299 248 G N -0.302 108.677 108.800 0.299 0.000 3.409 248 G HA2 0.357 4.317 3.960 0.000 0.000 0.686 248 G HA3 0.357 4.317 3.960 0.000 0.000 0.686 248 G C 0.148 175.147 174.900 0.164 0.000 1.017 248 G CA -0.031 45.125 45.100 0.093 0.000 0.854 248 G HN 1.814 nan 8.290 nan 0.000 0.508 249 F N -1.712 118.275 119.950 0.062 0.000 2.803 249 F HA 0.017 4.544 4.527 0.000 0.000 0.323 249 F C 1.278 177.186 175.800 0.179 0.000 1.033 249 F CA 2.014 60.040 58.000 0.043 0.000 1.066 249 F CB -0.971 37.985 39.000 -0.074 0.000 1.283 249 F HN 1.839 nan 8.300 nan 0.000 0.816 250 G N 0.882 109.940 108.800 0.429 0.000 2.717 250 G HA2 0.600 4.560 3.960 0.000 0.000 0.300 250 G HA3 0.600 4.560 3.960 0.000 0.000 0.300 250 G C -3.303 171.637 174.900 0.067 0.000 1.424 250 G CA -1.039 44.333 45.100 0.453 0.000 1.033 250 G HN 0.016 nan 8.290 nan 0.000 0.577 251 P HA 0.383 nan 4.420 nan 0.000 0.293 251 P C 1.275 178.361 177.300 -0.356 0.000 1.291 251 P CA 0.086 63.004 63.100 -0.303 0.000 0.867 251 P CB 1.847 33.229 31.700 -0.529 0.000 1.074 252 G N 2.108 110.745 108.800 -0.271 0.000 2.732 252 G HA2 -0.001 3.959 3.960 0.000 0.000 0.222 252 G HA3 -0.001 3.959 3.960 0.000 0.000 0.222 252 G C 0.581 175.329 174.900 -0.253 0.000 1.203 252 G CA 1.064 46.028 45.100 -0.226 0.000 0.780 252 G HN 0.946 nan 8.290 nan 0.000 0.621 253 G N -1.930 106.663 108.800 -0.345 0.000 2.717 253 G HA2 0.467 4.428 3.960 0.000 0.000 0.300 253 G HA3 0.467 4.428 3.960 0.000 0.000 0.300 253 G C -0.614 173.946 174.900 -0.567 0.000 1.424 253 G CA -0.992 43.838 45.100 -0.450 0.000 1.033 253 G HN 0.155 nan 8.290 nan 0.000 0.577 254 F N 1.278 120.941 119.950 -0.478 0.000 2.633 254 F HA 0.377 4.904 4.527 0.000 0.000 0.338 254 F C 1.617 177.342 175.800 -0.124 0.000 1.206 254 F CA 2.280 60.133 58.000 -0.245 0.000 1.378 254 F CB 0.623 39.538 39.000 -0.141 0.000 1.116 254 F HN 1.293 nan 8.300 nan 0.000 0.615 255 G N 1.025 109.956 108.800 0.219 0.000 2.587 255 G HA2 -0.097 3.863 3.960 0.000 0.000 0.212 255 G HA3 -0.097 3.863 3.960 0.000 0.000 0.212 255 G C -2.599 172.344 174.900 0.071 0.000 1.327 255 G CA -0.423 44.761 45.100 0.139 0.000 0.898 255 G HN 0.570 nan 8.290 nan 0.000 0.551 256 P HA 0.529 nan 4.420 nan 0.000 0.191 256 P C 0.904 178.226 177.300 0.037 0.000 1.065 256 P CA 2.641 65.774 63.100 0.054 0.000 0.904 256 P CB 0.919 32.646 31.700 0.044 0.000 0.741 257 V N -2.709 117.219 119.914 0.024 0.000 5.944 257 V HA 0.065 4.186 4.120 0.000 0.000 0.963 257 V C -0.225 175.870 176.094 0.003 0.000 2.707 257 V CA 0.138 62.446 62.300 0.013 0.000 4.827 257 V CB -0.487 31.341 31.823 0.008 0.000 0.559 257 V HN -0.033 nan 8.190 nan 0.000 0.647 258 L N 0.249 121.472 121.223 0.001 0.000 2.502 258 L HA 0.821 5.161 4.340 0.000 0.000 0.253 258 L C -1.572 175.335 176.870 0.063 0.000 1.070 258 L CA -0.510 54.331 54.840 0.002 0.000 0.871 258 L CB 2.402 44.423 42.059 -0.064 0.000 1.487 258 L HN 0.041 nan 8.230 nan 0.000 0.408 259 D N -0.705 119.780 120.400 0.142 0.000 2.622 259 D HA 0.711 5.352 4.640 0.000 0.000 0.255 259 D C -0.509 175.952 176.300 0.267 0.000 1.246 259 D CA 0.161 54.281 54.000 0.201 0.000 0.795 259 D CB 2.232 43.099 40.800 0.112 0.000 1.369 259 D HN 0.827 nan 8.370 nan 0.000 0.425 260 G N -0.539 108.332 108.800 0.117 0.000 2.270 260 G HA2 0.106 4.066 3.960 0.000 0.000 0.268 260 G HA3 0.106 4.066 3.960 0.000 0.000 0.268 260 G C -2.212 172.573 174.900 -0.191 0.000 1.312 260 G CA -0.801 44.258 45.100 -0.069 0.000 1.050 260 G HN 0.389 nan 8.290 nan 0.000 0.474 261 W N 1.349 122.329 121.300 -0.533 0.000 2.362 261 W HA 0.781 5.441 4.660 0.000 0.000 0.316 261 W C -1.247 174.935 176.519 -0.562 0.000 1.024 261 W CA -0.923 56.192 57.345 -0.383 0.000 1.270 261 W CB 0.963 30.320 29.460 -0.172 0.000 1.273 261 W HN 0.503 nan 8.180 nan 0.000 0.424 262 Y N 4.219 124.137 120.300 -0.636 0.000 2.341 262 Y HA 0.399 4.950 4.550 0.000 0.000 0.337 262 Y C 1.261 176.455 175.900 -1.177 0.000 1.014 262 Y CA -0.143 57.592 58.100 -0.608 0.000 1.111 262 Y CB 1.582 39.823 38.460 -0.365 0.000 1.194 262 Y HN 0.582 nan 8.280 nan 0.000 0.462 263 G N 1.750 110.188 108.800 -0.604 0.000 2.459 263 G HA2 -0.054 3.906 3.960 0.000 0.000 0.217 263 G HA3 -0.054 3.906 3.960 0.000 0.000 0.217 263 G C -0.090 174.616 174.900 -0.323 0.000 1.183 263 G CA 0.730 45.538 45.100 -0.488 0.000 0.776 263 G HN 0.389 nan 8.290 nan 0.000 0.552 264 V N 0.831 120.637 119.914 -0.181 0.000 2.409 264 V HA 0.369 4.489 4.120 0.000 0.000 0.290 264 V C -1.554 174.463 176.094 -0.128 0.000 1.017 264 V CA -0.954 61.270 62.300 -0.126 0.000 0.841 264 V CB 1.784 33.561 31.823 -0.077 0.000 1.003 264 V HN 0.165 nan 8.190 nan 0.000 0.426 265 D N 4.045 124.359 120.400 -0.142 0.000 2.441 265 D HA 0.496 5.137 4.640 0.000 0.000 0.231 265 D C -0.704 175.519 176.300 -0.129 0.000 1.073 265 D CA -0.054 53.841 54.000 -0.176 0.000 0.850 265 D CB 1.719 42.407 40.800 -0.188 0.000 1.062 265 D HN 0.299 nan 8.370 nan 0.000 0.524 266 V N 2.554 122.393 119.914 -0.126 0.000 2.384 266 V HA 0.572 4.692 4.120 0.000 0.000 0.287 266 V C 0.088 176.130 176.094 -0.088 0.000 1.020 266 V CA -0.766 61.480 62.300 -0.090 0.000 0.850 266 V CB 1.473 33.251 31.823 -0.076 0.000 0.987 266 V HN 0.522 nan 8.190 nan 0.000 0.436 267 S N 3.467 119.128 115.700 -0.066 0.000 2.779 267 S HA 0.611 5.081 4.470 0.000 0.000 0.293 267 S C 0.642 175.220 174.600 -0.037 0.000 1.150 267 S CA 0.373 58.539 58.200 -0.056 0.000 1.057 267 S CB 0.857 64.023 63.200 -0.057 0.000 1.021 267 S HN 1.993 nan 8.310 nan 0.000 0.485 268 G N 3.178 111.958 108.800 -0.033 0.000 2.225 268 G HA2 -0.197 3.763 3.960 0.000 0.000 0.267 268 G HA3 -0.197 3.763 3.960 0.000 0.000 0.267 268 G C 0.117 175.004 174.900 -0.022 0.000 1.024 268 G CA 0.621 45.707 45.100 -0.024 0.000 0.784 268 G HN 1.018 nan 8.290 nan 0.000 0.507 269 S N -1.586 114.098 115.700 -0.026 0.000 2.720 269 S HA 0.878 5.348 4.470 0.000 0.000 0.287 269 S C -0.219 174.365 174.600 -0.026 0.000 1.168 269 S CA -0.030 58.156 58.200 -0.023 0.000 0.832 269 S CB 2.090 65.276 63.200 -0.024 0.000 1.166 269 S HN 1.569 nan 8.310 nan 0.000 0.493 270 S N 0.096 115.783 115.700 -0.021 0.000 2.532 270 S HA 0.823 5.293 4.470 0.000 0.000 0.299 270 S C -1.261 173.326 174.600 -0.023 0.000 1.105 270 S CA -0.579 57.608 58.200 -0.022 0.000 1.018 270 S CB 1.188 64.380 63.200 -0.014 0.000 1.021 270 S HN 0.496 nan 8.310 nan 0.000 0.483 271 V N 2.797 122.690 119.914 -0.035 0.000 2.656 271 V HA 0.581 4.701 4.120 0.000 0.000 0.307 271 V C -0.717 175.337 176.094 -0.068 0.000 1.051 271 V CA -0.613 61.658 62.300 -0.048 0.000 0.893 271 V CB 1.928 33.718 31.823 -0.055 0.000 0.999 271 V HN 0.974 nan 8.190 nan 0.000 0.426 272 E N 4.002 124.137 120.200 -0.108 0.000 2.191 272 E HA 0.552 4.902 4.350 0.000 0.000 0.263 272 E C -1.639 174.802 176.600 -0.265 0.000 0.881 272 E CA -0.740 55.556 56.400 -0.174 0.000 0.757 272 E CB 2.722 32.306 29.700 -0.192 0.000 1.147 272 E HN 0.347 nan 8.360 nan 0.000 0.414 273 L N 1.998 123.110 121.223 -0.185 0.000 2.322 273 L HA 0.584 4.924 4.340 0.000 0.000 0.281 273 L C -0.434 176.347 176.870 -0.149 0.000 1.014 273 L CA -0.421 54.322 54.840 -0.161 0.000 0.815 273 L CB 1.825 43.833 42.059 -0.086 0.000 1.247 273 L HN 0.580 nan 8.230 nan 0.000 0.421 274 A N 2.260 124.995 122.820 -0.143 0.000 2.359 274 A HA 0.657 4.977 4.320 0.000 0.000 0.303 274 A C -0.363 177.201 177.584 -0.032 0.000 1.066 274 A CA -0.515 51.478 52.037 -0.074 0.000 0.730 274 A CB 1.115 20.081 19.000 -0.057 0.000 1.211 274 A HN 0.695 nan 8.150 nan 0.000 0.439 275 Q N 0.378 120.171 119.800 -0.012 0.000 2.416 275 Q HA -0.154 4.186 4.340 0.000 0.000 0.319 275 Q C 0.126 176.123 176.000 -0.005 0.000 1.318 275 Q CA 1.565 57.368 55.803 -0.000 0.000 0.915 275 Q CB -1.797 26.945 28.738 0.006 0.000 1.184 275 Q HN 0.726 nan 8.270 nan 0.000 0.444 276 S N -0.675 115.021 115.700 -0.006 0.000 2.677 276 S HA 0.816 5.287 4.470 0.000 0.000 0.304 276 S C 0.014 174.626 174.600 0.020 0.000 1.108 276 S CA -0.883 57.314 58.200 -0.004 0.000 0.944 276 S CB 1.624 64.812 63.200 -0.019 0.000 1.127 276 S HN 0.317 nan 8.310 nan 0.000 0.511 277 I N 1.663 122.253 120.570 0.033 0.000 2.406 277 I HA 0.479 4.650 4.170 0.000 0.000 0.290 277 I C -1.202 174.960 176.117 0.074 0.000 0.999 277 I CA -0.667 60.667 61.300 0.057 0.000 1.124 277 I CB 1.691 39.729 38.000 0.063 0.000 1.289 277 I HN 0.192 nan 8.210 nan 0.000 0.441 278 V N 6.191 126.155 119.914 0.084 0.000 2.444 278 V HA 0.359 4.479 4.120 0.000 0.000 0.294 278 V C -0.472 175.701 176.094 0.132 0.000 1.022 278 V CA -0.550 61.817 62.300 0.111 0.000 0.850 278 V CB 1.939 33.814 31.823 0.086 0.000 0.992 278 V HN 0.684 nan 8.190 nan 0.000 0.426 279 E N 3.390 123.695 120.200 0.175 0.000 2.185 279 E HA 0.714 5.064 4.350 0.000 0.000 0.261 279 E C -0.464 176.284 176.600 0.247 0.000 0.879 279 E CA -0.479 56.014 56.400 0.155 0.000 0.756 279 E CB 2.204 31.960 29.700 0.093 0.000 1.152 279 E HN 0.795 nan 8.360 nan 0.000 0.416 280 A N 4.399 127.348 122.820 0.216 0.000 2.303 280 A HA 0.628 4.948 4.320 0.000 0.000 0.317 280 A C -2.196 175.483 177.584 0.158 0.000 1.149 280 A CA -1.396 50.810 52.037 0.282 0.000 0.822 280 A CB 0.296 19.410 19.000 0.189 0.000 1.131 280 A HN 0.393 nan 8.150 nan 0.000 0.493 281 P HA 0.137 nan 4.420 nan 0.000 0.274 281 P C 0.317 177.667 177.300 0.083 0.000 1.256 281 P CA -0.201 62.929 63.100 0.050 0.000 0.795 281 P CB 0.538 32.231 31.700 -0.012 0.000 1.038 282 E N 0.663 120.916 120.200 0.088 0.000 2.086 282 E HA -0.204 4.146 4.350 0.000 0.000 0.205 282 E C 0.100 176.729 176.600 0.050 0.000 1.027 282 E CA 1.274 57.740 56.400 0.110 0.000 0.830 282 E CB -0.980 28.723 29.700 0.005 0.000 0.751 282 E HN 0.287 nan 8.360 nan 0.000 0.456 283 L N 0.552 121.777 121.223 0.003 0.000 2.261 283 L HA 0.667 5.007 4.340 0.000 0.000 0.289 283 L C 0.527 177.347 176.870 -0.084 0.000 1.059 283 L CA 0.347 55.166 54.840 -0.035 0.000 0.816 283 L CB 1.138 43.174 42.059 -0.037 0.000 1.191 283 L HN 0.375 nan 8.230 nan 0.000 0.431 284 G N 1.594 110.309 108.800 -0.141 0.000 2.247 284 G HA2 0.546 4.507 3.960 0.000 0.000 0.229 284 G HA3 0.546 4.507 3.960 0.000 0.000 0.229 284 G C -1.652 173.169 174.900 -0.132 0.000 1.345 284 G CA 0.117 45.015 45.100 -0.337 0.000 1.100 284 G HN 1.041 nan 8.290 nan 0.000 0.473 285 A N -1.995 120.787 122.820 -0.063 0.000 2.605 285 A HA 0.984 5.304 4.320 0.000 0.000 0.294 285 A C 0.792 178.456 177.584 0.134 0.000 1.062 285 A CA 0.874 52.985 52.037 0.123 0.000 0.682 285 A CB 0.781 19.926 19.000 0.241 0.000 1.278 285 A HN 2.452 nan 8.150 nan 0.000 0.410 286 A N 0.713 123.594 122.820 0.100 0.000 1.877 286 A HA 0.314 4.634 4.320 0.000 0.000 0.216 286 A C 0.747 178.355 177.584 0.040 0.000 1.186 286 A CA 1.665 53.750 52.037 0.081 0.000 0.620 286 A CB -0.351 18.686 19.000 0.063 0.000 0.822 286 A HN 0.830 nan 8.150 nan 0.000 0.443 287 I N -1.369 119.223 120.570 0.037 0.000 2.533 287 I HA 0.386 4.556 4.170 0.000 0.000 0.290 287 I C -0.254 175.844 176.117 -0.031 0.000 1.056 287 I CA -0.570 60.724 61.300 -0.010 0.000 1.057 287 I CB 2.102 40.083 38.000 -0.032 0.000 1.240 287 I HN 0.220 nan 8.210 nan 0.000 0.423 288 R N 5.311 125.735 120.500 -0.127 0.000 2.494 288 R HA 0.800 5.140 4.340 0.000 0.000 0.305 288 R C -1.927 174.258 176.300 -0.192 0.000 0.959 288 R CA -0.472 55.481 56.100 -0.244 0.000 0.864 288 R CB 2.053 31.968 30.300 -0.641 0.000 1.159 288 R HN 0.462 nan 8.270 nan 0.000 0.446 289 V N 3.195 123.022 119.914 -0.145 0.000 2.604 289 V HA 0.824 4.944 4.120 0.000 0.000 0.305 289 V C -0.002 176.034 176.094 -0.097 0.000 1.043 289 V CA -0.376 61.859 62.300 -0.109 0.000 0.888 289 V CB 1.946 33.720 31.823 -0.081 0.000 0.995 289 V HN 0.995 nan 8.190 nan 0.000 0.429 290 G N 2.612 111.362 108.800 -0.083 0.000 2.692 290 G HA2 0.573 4.533 3.960 0.000 0.000 0.291 290 G HA3 0.573 4.533 3.960 0.000 0.000 0.291 290 G C -0.695 174.179 174.900 -0.044 0.000 1.423 290 G CA -0.904 44.159 45.100 -0.063 0.000 0.843 290 G HN 0.548 nan 8.290 nan 0.000 0.486 291 R N -0.470 120.013 120.500 -0.028 0.000 3.188 291 R HA -0.223 4.117 4.340 0.000 0.000 0.247 291 R C 1.270 177.560 176.300 -0.016 0.000 0.918 291 R CA 1.217 57.307 56.100 -0.017 0.000 0.629 291 R CB -1.776 28.513 30.300 -0.018 0.000 1.087 291 R HN 2.483 nan 8.270 nan 0.000 0.462 292 G N -1.442 107.350 108.800 -0.013 0.000 2.153 292 G HA2 -0.315 3.646 3.960 0.000 0.000 0.252 292 G HA3 -0.315 3.646 3.960 0.000 0.000 0.252 292 G C 0.424 175.310 174.900 -0.023 0.000 0.994 292 G CA 0.583 45.675 45.100 -0.013 0.000 0.698 292 G HN 1.014 nan 8.290 nan 0.000 0.521 293 A N -0.366 122.435 122.820 -0.032 0.000 2.466 293 A HA 0.626 4.946 4.320 0.000 0.000 0.238 293 A C 0.865 178.426 177.584 -0.039 0.000 1.074 293 A CA 0.477 52.491 52.037 -0.039 0.000 0.774 293 A CB 0.393 19.362 19.000 -0.052 0.000 1.015 293 A HN 0.565 nan 8.150 nan 0.000 0.498 294 R N 1.305 121.782 120.500 -0.038 0.000 2.502 294 R HA 0.559 4.899 4.340 0.000 0.000 0.300 294 R C -2.078 174.197 176.300 -0.042 0.000 0.984 294 R CA -0.299 55.779 56.100 -0.037 0.000 0.882 294 R CB 1.722 32.005 30.300 -0.028 0.000 1.180 294 R HN 0.524 nan 8.270 nan 0.000 0.444 295 V N 2.980 122.866 119.914 -0.048 0.000 2.638 295 V HA 0.497 4.618 4.120 0.000 0.000 0.306 295 V C -0.321 175.742 176.094 -0.052 0.000 1.052 295 V CA -0.616 61.653 62.300 -0.052 0.000 0.885 295 V CB 2.398 34.187 31.823 -0.058 0.000 0.999 295 V HN 0.746 nan 8.190 nan 0.000 0.424 296 T N 3.593 118.115 114.554 -0.053 0.000 2.861 296 T HA 0.670 5.021 4.350 0.000 0.000 0.287 296 T C -0.813 173.853 174.700 -0.057 0.000 1.003 296 T CA -0.473 61.598 62.100 -0.049 0.000 0.977 296 T CB 1.863 70.708 68.868 -0.038 0.000 0.996 296 T HN 0.371 nan 8.240 nan 0.000 0.448 297 V N 4.967 124.852 119.914 -0.048 0.000 2.439 297 V HA 0.344 4.464 4.120 0.000 0.000 0.277 297 V C -2.723 173.354 176.094 -0.029 0.000 1.008 297 V CA -1.816 60.457 62.300 -0.044 0.000 0.846 297 V CB 1.310 33.110 31.823 -0.038 0.000 1.031 297 V HN 0.646 nan 8.190 nan 0.000 0.441 298 P HA 0.457 nan 4.420 nan 0.000 0.286 298 P C 0.759 178.059 177.300 -0.000 0.000 1.269 298 P CA 0.826 63.921 63.100 -0.009 0.000 0.787 298 P CB 1.423 33.120 31.700 -0.004 0.000 0.920 299 G N 2.675 111.483 108.800 0.013 0.000 2.591 299 G HA2 0.133 4.093 3.960 0.000 0.000 0.278 299 G HA3 0.133 4.093 3.960 0.000 0.000 0.278 299 G C 0.346 175.265 174.900 0.030 0.000 1.293 299 G CA 0.251 45.366 45.100 0.025 0.000 0.930 299 G HN 1.008 nan 8.290 nan 0.000 0.562 300 G N -2.173 106.648 108.800 0.035 0.000 2.697 300 G HA2 0.282 4.242 3.960 0.000 0.000 0.240 300 G HA3 0.282 4.242 3.960 0.000 0.000 0.240 300 G C 0.155 175.103 174.900 0.081 0.000 1.346 300 G CA 0.764 45.889 45.100 0.042 0.000 0.887 300 G HN 2.212 nan 8.290 nan 0.000 0.569 301 S N -1.134 114.620 115.700 0.090 0.000 2.540 301 S HA 0.699 5.169 4.470 0.000 0.000 0.275 301 S C -0.468 174.196 174.600 0.107 0.000 1.123 301 S CA -0.629 57.661 58.200 0.151 0.000 0.907 301 S CB 1.261 64.558 63.200 0.162 0.000 1.081 301 S HN 0.799 nan 8.310 nan 0.000 0.476 302 L N 3.266 124.547 121.223 0.097 0.000 2.342 302 L HA 0.573 4.913 4.340 0.000 0.000 0.276 302 L C -0.664 176.241 176.870 0.057 0.000 0.997 302 L CA -0.525 54.346 54.840 0.052 0.000 0.838 302 L CB 1.794 43.856 42.059 0.005 0.000 1.224 302 L HN 0.630 nan 8.230 nan 0.000 0.416 303 S N 1.762 117.509 115.700 0.078 0.000 2.561 303 S HA 0.821 5.291 4.470 0.000 0.000 0.303 303 S C -0.155 174.478 174.600 0.055 0.000 1.110 303 S CA -0.706 57.536 58.200 0.071 0.000 1.034 303 S CB 2.340 65.591 63.200 0.085 0.000 1.010 303 S HN 0.644 nan 8.310 nan 0.000 0.482 304 A N 3.373 126.209 122.820 0.027 0.000 3.370 304 A HA 0.644 4.965 4.320 0.000 0.000 0.295 304 A C -2.303 175.257 177.584 -0.040 0.000 1.030 304 A CA -1.373 50.676 52.037 0.020 0.000 0.883 304 A CB 0.196 19.221 19.000 0.042 0.000 1.191 304 A HN 0.541 nan 8.150 nan 0.000 0.507 305 P HA -0.199 nan 4.420 nan 0.000 0.217 305 P C 0.538 177.591 177.300 -0.412 0.000 1.158 305 P CA 1.757 64.659 63.100 -0.331 0.000 0.887 305 P CB -0.056 31.307 31.700 -0.562 0.000 0.792 306 H N -2.385 116.702 119.070 0.029 0.000 2.487 306 H HA 0.512 5.068 4.556 0.000 0.000 0.290 306 H C 1.093 176.431 175.328 0.016 0.000 1.081 306 H CA -0.091 55.970 56.048 0.021 0.000 1.116 306 H CB 0.156 29.924 29.762 0.010 0.000 1.560 306 H HN 0.158 nan 8.280 nan 0.000 0.548 307 G N -0.499 108.343 108.800 0.070 0.000 2.694 307 G HA2 0.086 4.046 3.960 0.000 0.000 0.246 307 G HA3 0.086 4.046 3.960 0.000 0.000 0.246 307 G C -1.268 173.655 174.900 0.038 0.000 1.205 307 G CA -0.892 44.235 45.100 0.045 0.000 0.891 307 G HN 0.052 nan 8.290 nan 0.000 0.515 308 N N 0.533 119.247 118.700 0.023 0.000 2.421 308 N HA 0.382 5.122 4.740 0.000 0.000 0.285 308 N C 1.322 176.862 175.510 0.050 0.000 1.027 308 N CA -0.458 52.619 53.050 0.044 0.000 0.918 308 N CB 2.319 40.815 38.487 0.014 0.000 1.152 308 N HN 0.139 nan 8.380 nan 0.000 0.485 309 V N 1.824 121.765 119.914 0.045 0.000 2.323 309 V HA 0.008 4.128 4.120 0.000 0.000 0.244 309 V C 0.917 177.028 176.094 0.028 0.000 1.041 309 V CA 1.312 63.628 62.300 0.027 0.000 1.025 309 V CB -0.194 31.629 31.823 0.000 0.000 0.656 309 V HN 0.570 nan 8.190 nan 0.000 0.451 310 I N -0.428 120.158 120.570 0.026 0.000 2.498 310 I HA 0.411 4.581 4.170 0.000 0.000 0.290 310 I C -0.484 175.664 176.117 0.052 0.000 1.032 310 I CA -0.178 61.132 61.300 0.017 0.000 1.073 310 I CB 2.274 40.259 38.000 -0.026 0.000 1.251 310 I HN 0.088 nan 8.210 nan 0.000 0.426 311 E N 4.017 124.241 120.200 0.040 0.000 2.176 311 E HA 0.437 4.787 4.350 0.000 0.000 0.267 311 E C -0.982 175.619 176.600 0.001 0.000 0.893 311 E CA -0.612 55.826 56.400 0.063 0.000 0.761 311 E CB 2.266 31.993 29.700 0.045 0.000 1.133 311 E HN 0.641 nan 8.360 nan 0.000 0.409 312 T N 0.069 114.644 114.554 0.034 0.000 2.792 312 T HA 0.788 5.139 4.350 0.000 0.000 0.280 312 T C 0.241 174.937 174.700 -0.008 0.000 0.990 312 T CA -0.570 61.519 62.100 -0.017 0.000 0.960 312 T CB 1.825 70.672 68.868 -0.035 0.000 0.939 312 T HN 0.540 nan 8.240 nan 0.000 0.439 313 G N 0.551 109.329 108.800 -0.036 0.000 2.726 313 G HA2 0.658 4.619 3.960 0.000 0.000 0.198 313 G HA3 0.658 4.619 3.960 0.000 0.000 0.198 313 G C 0.210 175.089 174.900 -0.034 0.000 1.195 313 G CA -0.122 44.963 45.100 -0.025 0.000 0.951 313 G HN 1.813 nan 8.290 nan 0.000 0.532 314 G N -0.756 108.024 108.800 -0.033 0.000 2.587 314 G HA2 0.483 4.443 3.960 0.000 0.000 0.245 314 G HA3 0.483 4.443 3.960 0.000 0.000 0.245 314 G C 0.305 175.200 174.900 -0.009 0.000 0.959 314 G CA 1.182 46.265 45.100 -0.028 0.000 1.268 314 G HN 2.689 nan 8.290 nan 0.000 0.448 315 A N 1.606 124.427 122.820 0.002 0.000 2.023 315 A HA 0.284 4.604 4.320 0.000 0.000 0.573 315 A C 0.786 178.385 177.584 0.026 0.000 0.147 315 A CA 0.682 52.729 52.037 0.016 0.000 0.219 315 A CB -0.690 18.326 19.000 0.028 0.000 3.282 315 A HN 1.399 nan 8.150 nan 0.000 0.488 316 R N 0.711 121.226 120.500 0.025 0.000 2.246 316 R HA 0.094 4.434 4.340 0.000 0.000 0.199 316 R C 0.547 176.873 176.300 0.045 0.000 0.984 316 R CA 0.615 56.733 56.100 0.030 0.000 1.015 316 R CB 0.358 30.671 30.300 0.022 0.000 0.930 316 R HN 0.626 nan 8.270 nan 0.000 0.475 317 R N 0.980 121.509 120.500 0.049 0.000 2.562 317 R HA 0.220 4.561 4.340 0.000 0.000 0.298 317 R C -1.187 175.180 176.300 0.112 0.000 0.961 317 R CA -0.795 55.343 56.100 0.064 0.000 0.881 317 R CB 1.623 31.937 30.300 0.023 0.000 1.159 317 R HN -0.113 nan 8.270 nan 0.000 0.450 318 F N 2.256 122.199 119.950 -0.013 0.000 2.404 318 F HA 0.566 5.093 4.527 0.000 0.000 0.345 318 F C -0.870 174.922 175.800 -0.013 0.000 1.110 318 F CA -0.943 57.048 58.000 -0.015 0.000 1.130 318 F CB 1.099 40.090 39.000 -0.016 0.000 1.129 318 F HN 0.542 nan 8.300 nan 0.000 0.500 319 A N 7.530 130.082 122.820 -0.447 0.000 2.335 319 A HA 0.607 4.927 4.320 0.000 0.000 0.304 319 A C -2.250 174.982 177.584 -0.587 0.000 1.118 319 A CA -1.559 50.142 52.037 -0.561 0.000 0.757 319 A CB 1.067 19.930 19.000 -0.229 0.000 1.188 319 A HN 0.585 nan 8.150 nan 0.000 0.460 320 P HA -0.192 nan 4.420 nan 0.000 0.218 320 P C 1.425 178.662 177.300 -0.105 0.000 1.148 320 P CA 1.070 63.996 63.100 -0.291 0.000 0.822 320 P CB 0.300 31.866 31.700 -0.224 0.000 0.784 321 Q N -0.061 119.667 119.800 -0.121 0.000 2.014 321 Q HA -0.106 4.234 4.340 0.000 0.000 0.207 321 Q C 1.169 177.150 176.000 -0.032 0.000 0.993 321 Q CA 1.280 57.045 55.803 -0.064 0.000 0.850 321 Q CB -1.187 27.508 28.738 -0.071 0.000 0.916 321 Q HN 0.191 nan 8.270 nan 0.000 0.417 322 A N 0.761 123.562 122.820 -0.032 0.000 2.520 322 A HA 0.354 4.674 4.320 0.000 0.000 0.235 322 A C -0.017 177.582 177.584 0.024 0.000 1.065 322 A CA 0.531 52.567 52.037 -0.002 0.000 0.764 322 A CB 0.055 19.056 19.000 0.003 0.000 1.002 322 A HN 0.334 nan 8.150 nan 0.000 0.502 323 A N 3.447 126.277 122.820 0.016 0.000 2.388 323 A HA 0.606 4.927 4.320 0.000 0.000 0.257 323 A C -1.646 175.952 177.584 0.024 0.000 1.095 323 A CA -1.183 50.865 52.037 0.017 0.000 0.791 323 A CB -0.347 18.655 19.000 0.003 0.000 1.029 323 A HN 0.759 nan 8.150 nan 0.000 0.489 324 P HA 0.299 nan 4.420 nan 0.000 0.275 324 P C -0.535 176.758 177.300 -0.012 0.000 1.266 324 P CA -0.414 62.692 63.100 0.011 0.000 0.793 324 P CB 0.463 32.161 31.700 -0.004 0.000 1.074 325 L N 0.254 121.461 121.223 -0.026 0.000 2.426 325 L HA 0.254 4.594 4.340 0.000 0.000 0.271 325 L C 1.034 177.874 176.870 -0.049 0.000 1.169 325 L CA 0.336 55.152 54.840 -0.040 0.000 0.836 325 L CB 0.317 42.346 42.059 -0.050 0.000 1.112 325 L HN 0.409 nan 8.230 nan 0.000 0.465 326 S N 3.373 119.043 115.700 -0.050 0.000 2.647 326 S HA 0.728 5.198 4.470 0.000 0.000 0.300 326 S C -0.897 173.667 174.600 -0.060 0.000 1.129 326 S CA -0.543 57.624 58.200 -0.055 0.000 1.029 326 S CB 0.770 63.944 63.200 -0.043 0.000 1.007 326 S HN 0.385 nan 8.310 nan 0.000 0.484 327 I N 3.791 124.318 120.570 -0.072 0.000 2.447 327 I HA 0.417 4.587 4.170 0.000 0.000 0.287 327 I C -0.319 175.752 176.117 -0.077 0.000 1.023 327 I CA -0.166 61.089 61.300 -0.074 0.000 1.083 327 I CB 2.391 40.340 38.000 -0.085 0.000 1.245 327 I HN 0.464 nan 8.210 nan 0.000 0.434 328 T N 6.886 121.401 114.554 -0.064 0.000 2.841 328 T HA 0.646 4.996 4.350 0.000 0.000 0.285 328 T C -0.457 174.211 174.700 -0.053 0.000 0.991 328 T CA -0.503 61.561 62.100 -0.059 0.000 0.966 328 T CB 1.040 69.880 68.868 -0.046 0.000 0.962 328 T HN 0.259 nan 8.240 nan 0.000 0.438 329 L N 4.655 125.846 121.223 -0.053 0.000 2.305 329 L HA 0.634 4.974 4.340 0.000 0.000 0.284 329 L C 0.232 177.086 176.870 -0.026 0.000 1.013 329 L CA -0.730 54.086 54.840 -0.040 0.000 0.819 329 L CB 1.257 43.288 42.059 -0.046 0.000 1.227 329 L HN 0.704 nan 8.230 nan 0.000 0.417 330 Q N 2.799 122.589 119.800 -0.016 0.000 2.893 330 Q HA 0.683 5.023 4.340 0.000 0.000 0.331 330 Q C -0.195 175.806 176.000 0.002 0.000 0.893 330 Q CA -0.573 55.226 55.803 -0.007 0.000 0.783 330 Q CB 1.968 30.700 28.738 -0.011 0.000 1.440 330 Q HN 0.583 nan 8.270 nan 0.000 0.508 331 A N -0.418 122.405 122.820 0.006 0.000 2.511 331 A HA -0.030 4.290 4.320 0.000 0.000 0.297 331 A C 1.171 178.765 177.584 0.018 0.000 1.476 331 A CA 1.718 53.761 52.037 0.010 0.000 0.757 331 A CB -2.487 16.518 19.000 0.009 0.000 1.072 331 A HN 2.287 nan 8.150 nan 0.000 0.413 332 G N -2.228 106.586 108.800 0.023 0.000 2.203 332 G HA2 0.123 4.083 3.960 0.000 0.000 0.263 332 G HA3 0.123 4.083 3.960 0.000 0.000 0.263 332 G C 0.821 175.752 174.900 0.052 0.000 1.012 332 G CA 1.128 46.250 45.100 0.037 0.000 0.749 332 G HN 2.576 nan 8.290 nan 0.000 0.512 333 A N 0.336 123.180 122.820 0.041 0.000 2.498 333 A HA 0.506 4.826 4.320 0.000 0.000 0.239 333 A C 0.562 178.195 177.584 0.083 0.000 1.068 333 A CA 0.389 52.456 52.037 0.050 0.000 0.766 333 A CB 0.216 19.225 19.000 0.015 0.000 1.003 333 A HN 0.926 nan 8.150 nan 0.000 0.497 334 H N 1.173 120.252 119.070 0.016 0.000 2.472 334 H HA 0.689 5.245 4.556 0.000 0.000 0.338 334 H C -0.728 174.616 175.328 0.027 0.000 1.133 334 H CA 0.041 56.104 56.048 0.025 0.000 1.216 334 H CB 1.594 31.371 29.762 0.024 0.000 1.497 334 H HN 0.832 nan 8.280 nan 0.000 0.500 335 A N 4.508 126.846 122.820 -0.803 0.000 2.486 335 A HA 0.435 4.755 4.320 0.000 0.000 0.300 335 A C -1.492 175.781 177.584 -0.518 0.000 1.048 335 A CA -0.699 51.047 52.037 -0.484 0.000 0.696 335 A CB 2.293 21.179 19.000 -0.190 0.000 1.278 335 A HN 0.605 nan 8.150 nan 0.000 0.405 336 Q N 1.055 120.713 119.800 -0.236 0.000 2.313 336 Q HA 0.640 4.980 4.340 0.000 0.000 0.260 336 Q C -0.781 175.216 176.000 -0.004 0.000 0.972 336 Q CA 0.264 56.026 55.803 -0.070 0.000 0.886 336 Q CB 1.715 30.484 28.738 0.052 0.000 1.373 336 Q HN 1.824 nan 8.270 nan 0.000 0.416 337 G N 2.221 111.030 108.800 0.016 0.000 2.606 337 G HA2 0.320 4.281 3.960 0.000 0.000 0.300 337 G HA3 0.320 4.281 3.960 0.000 0.000 0.300 337 G C -0.259 174.666 174.900 0.042 0.000 1.360 337 G CA -0.489 44.623 45.100 0.019 0.000 0.783 337 G HN 0.450 nan 8.290 nan 0.000 0.484 338 K N -0.421 120.007 120.400 0.046 0.000 2.025 338 K HA 0.220 4.540 4.320 0.000 0.000 0.207 338 K C 1.141 177.802 176.600 0.102 0.000 1.049 338 K CA 1.471 57.800 56.287 0.070 0.000 0.933 338 K CB 0.001 32.548 32.500 0.077 0.000 0.714 338 K HN 0.510 nan 8.250 nan 0.000 0.438 339 A N 1.218 124.106 122.820 0.113 0.000 2.318 339 A HA 0.289 4.609 4.320 0.000 0.000 0.324 339 A C 0.657 178.307 177.584 0.110 0.000 1.170 339 A CA -0.549 51.572 52.037 0.141 0.000 0.810 339 A CB 1.094 20.210 19.000 0.195 0.000 1.198 339 A HN 0.191 nan 8.150 nan 0.000 0.484 340 L N 1.763 123.052 121.223 0.110 0.000 2.044 340 L HA 0.126 4.466 4.340 0.000 0.000 0.205 340 L C -0.045 176.826 176.870 0.002 0.000 1.075 340 L CA 1.289 56.156 54.840 0.044 0.000 0.747 340 L CB 0.051 42.116 42.059 0.010 0.000 0.903 340 L HN 0.583 nan 8.230 nan 0.000 0.435 341 L N -0.917 120.306 121.223 -0.000 0.000 2.401 341 L HA 0.319 4.660 4.340 0.000 0.000 0.266 341 L C -1.753 175.166 176.870 0.081 0.000 0.991 341 L CA -0.500 54.337 54.840 -0.005 0.000 0.818 341 L CB 1.771 43.758 42.059 -0.121 0.000 1.321 341 L HN 0.044 nan 8.230 nan 0.000 0.413 342 Y N 4.766 125.045 120.300 -0.036 0.000 2.322 342 Y HA 0.502 5.052 4.550 0.000 0.000 0.324 342 Y C -0.386 175.497 175.900 -0.029 0.000 1.027 342 Y CA -0.753 57.337 58.100 -0.016 0.000 1.179 342 Y CB 1.151 39.620 38.460 0.014 0.000 1.136 342 Y HN 0.612 nan 8.280 nan 0.000 0.449 343 R N 4.595 124.986 120.500 -0.183 0.000 2.340 343 R HA 0.347 4.687 4.340 0.000 0.000 0.300 343 R C -0.043 176.201 176.300 -0.093 0.000 1.069 343 R CA -0.203 55.835 56.100 -0.103 0.000 0.984 343 R CB 1.608 31.822 30.300 -0.142 0.000 1.003 343 R HN 0.648 nan 8.270 nan 0.000 0.459 344 V N 2.776 122.729 119.914 0.066 0.000 3.151 344 V HA 0.120 4.240 4.120 0.000 0.000 0.241 344 V C 0.270 176.387 176.094 0.040 0.000 1.173 344 V CA 0.582 62.954 62.300 0.120 0.000 1.154 344 V CB 0.100 32.039 31.823 0.193 0.000 0.898 344 V HN 0.428 nan 8.190 nan 0.000 0.473 345 L N 0.454 121.685 121.223 0.013 0.000 2.301 345 L HA 0.541 4.881 4.340 0.000 0.000 0.264 345 L C -1.894 174.965 176.870 -0.020 0.000 1.016 345 L CA -2.112 52.730 54.840 0.003 0.000 0.821 345 L CB 1.305 43.371 42.059 0.011 0.000 1.346 345 L HN -0.042 nan 8.230 nan 0.000 0.429 346 P HA -0.061 nan 4.420 nan 0.000 0.239 346 P C 0.173 177.436 177.300 -0.061 0.000 1.184 346 P CA 0.214 63.291 63.100 -0.038 0.000 0.760 346 P CB 0.414 32.125 31.700 0.018 0.000 0.884 347 E N 2.367 122.558 120.200 -0.016 0.000 2.392 347 E HA 0.093 4.444 4.350 0.000 0.000 0.264 347 E C -1.876 174.673 176.600 -0.085 0.000 1.024 347 E CA -2.111 54.292 56.400 0.006 0.000 0.903 347 E CB 0.369 30.083 29.700 0.022 0.000 0.963 347 E HN 0.095 nan 8.360 nan 0.000 0.432 348 P HA -0.042 nan 4.420 nan 0.000 0.267 348 P C -0.989 176.260 177.300 -0.086 0.000 1.200 348 P CA 0.045 63.061 63.100 -0.139 0.000 0.772 348 P CB 0.737 32.392 31.700 -0.075 0.000 0.855 349 V N 2.879 122.729 119.914 -0.108 0.000 2.638 349 V HA 0.408 4.528 4.120 0.000 0.000 0.306 349 V C -0.058 175.972 176.094 -0.106 0.000 1.052 349 V CA -0.621 61.620 62.300 -0.099 0.000 0.885 349 V CB 2.058 33.813 31.823 -0.112 0.000 0.999 349 V HN 0.433 nan 8.190 nan 0.000 0.424 350 K N 4.240 124.583 120.400 -0.095 0.000 2.450 350 K HA 0.692 5.012 4.320 0.000 0.000 0.257 350 K C -1.511 175.021 176.600 -0.114 0.000 0.953 350 K CA -0.407 55.820 56.287 -0.099 0.000 0.844 350 K CB 1.399 33.856 32.500 -0.072 0.000 1.103 350 K HN 0.559 nan 8.250 nan 0.000 0.429 351 L N 3.514 124.647 121.223 -0.149 0.000 2.305 351 L HA 0.629 4.969 4.340 0.000 0.000 0.284 351 L C -1.218 175.555 176.870 -0.162 0.000 1.013 351 L CA 0.272 55.009 54.840 -0.170 0.000 0.819 351 L CB 1.973 43.889 42.059 -0.238 0.000 1.227 351 L HN 0.667 nan 8.230 nan 0.000 0.417 352 T N 6.475 120.954 114.554 -0.126 0.000 2.824 352 T HA 0.632 4.982 4.350 0.000 0.000 0.282 352 T C -0.673 173.973 174.700 -0.089 0.000 0.993 352 T CA -0.362 61.678 62.100 -0.101 0.000 0.967 352 T CB 1.105 69.930 68.868 -0.071 0.000 0.960 352 T HN 0.469 nan 8.240 nan 0.000 0.441 353 L N 3.816 124.993 121.223 -0.077 0.000 2.349 353 L HA 0.752 5.092 4.340 0.000 0.000 0.278 353 L C 0.415 177.271 176.870 -0.022 0.000 0.996 353 L CA -0.860 53.951 54.840 -0.048 0.000 0.825 353 L CB 1.781 43.817 42.059 -0.038 0.000 1.243 353 L HN 0.794 nan 8.230 nan 0.000 0.412 354 T N -2.172 112.374 114.554 -0.013 0.000 2.778 354 T HA 0.617 4.967 4.350 0.000 0.000 0.293 354 T C 0.603 175.305 174.700 0.003 0.000 1.144 354 T CA -0.166 61.931 62.100 -0.005 0.000 1.010 354 T CB 1.707 70.569 68.868 -0.010 0.000 1.325 354 T HN 0.908 nan 8.240 nan 0.000 0.515 355 G N -0.219 108.585 108.800 0.005 0.000 2.395 355 G HA2 0.232 4.192 3.960 0.000 0.000 0.300 355 G HA3 0.232 4.192 3.960 0.000 0.000 0.300 355 G C 1.282 176.191 174.900 0.015 0.000 0.998 355 G CA 0.833 45.938 45.100 0.008 0.000 1.046 355 G HN 2.509 nan 8.290 nan 0.000 0.513 356 G N -1.864 106.948 108.800 0.020 0.000 2.179 356 G HA2 0.142 4.102 3.960 0.000 0.000 0.257 356 G HA3 0.142 4.102 3.960 0.000 0.000 0.257 356 G C 0.849 175.772 174.900 0.039 0.000 1.010 356 G CA 1.061 46.179 45.100 0.029 0.000 0.736 356 G HN 2.362 nan 8.290 nan 0.000 0.513 357 A N -0.285 122.555 122.820 0.033 0.000 2.498 357 A HA 0.473 4.793 4.320 0.000 0.000 0.239 357 A C 0.367 177.984 177.584 0.055 0.000 1.068 357 A CA 0.734 52.792 52.037 0.035 0.000 0.766 357 A CB 0.432 19.440 19.000 0.012 0.000 1.003 357 A HN 0.374 nan 8.150 nan 0.000 0.497 358 D N 1.128 121.567 120.400 0.064 0.000 2.420 358 D HA 0.547 5.187 4.640 0.000 0.000 0.255 358 D C -0.607 175.709 176.300 0.025 0.000 1.185 358 D CA 0.173 54.227 54.000 0.088 0.000 0.904 358 D CB 1.247 42.134 40.800 0.145 0.000 1.102 358 D HN 0.695 nan 8.370 nan 0.000 0.534 359 A N 3.374 126.232 122.820 0.064 0.000 2.340 359 A HA 0.700 5.020 4.320 0.000 0.000 0.331 359 A C -0.557 177.125 177.584 0.164 0.000 1.140 359 A CA -0.649 51.412 52.037 0.039 0.000 0.801 359 A CB 1.674 20.697 19.000 0.038 0.000 1.234 359 A HN 0.483 nan 8.150 nan 0.000 0.469 360 Q N 0.582 120.443 119.800 0.101 0.000 2.285 360 Q HA 0.566 4.906 4.340 0.000 0.000 0.269 360 Q C -0.473 175.621 176.000 0.156 0.000 1.030 360 Q CA 0.062 55.950 55.803 0.142 0.000 0.788 360 Q CB 2.130 30.915 28.738 0.079 0.000 1.266 360 Q HN 1.913 nan 8.270 nan 0.000 0.438 361 G N 2.422 111.358 108.800 0.228 0.000 2.339 361 G HA2 0.022 3.982 3.960 0.000 0.000 0.381 361 G HA3 0.022 3.982 3.960 0.000 0.000 0.381 361 G C -1.779 173.339 174.900 0.364 0.000 1.400 361 G CA -0.947 44.282 45.100 0.216 0.000 1.002 361 G HN 0.543 nan 8.290 nan 0.000 0.633 362 D N -0.460 120.105 120.400 0.275 0.000 2.294 362 D HA 0.563 5.203 4.640 0.000 0.000 0.250 362 D C 0.366 176.816 176.300 0.250 0.000 1.058 362 D CA -0.022 54.171 54.000 0.323 0.000 0.950 362 D CB 1.693 42.613 40.800 0.200 0.000 1.158 362 D HN 0.405 nan 8.370 nan 0.000 0.453 363 I N 1.480 122.195 120.570 0.241 0.000 2.307 363 I HA 0.191 4.362 4.170 0.000 0.000 0.289 363 I C -0.351 175.770 176.117 0.007 0.000 1.021 363 I CA -0.538 60.774 61.300 0.019 0.000 1.224 363 I CB 1.151 39.042 38.000 -0.181 0.000 1.376 363 I HN -0.141 nan 8.210 nan 0.000 0.470 364 V N 5.504 125.391 119.914 -0.045 0.000 2.864 364 V HA 0.884 5.004 4.120 0.000 0.000 0.314 364 V C 0.062 175.983 176.094 -0.288 0.000 1.073 364 V CA -0.442 61.782 62.300 -0.128 0.000 0.956 364 V CB 1.877 33.644 31.823 -0.094 0.000 1.023 364 V HN 0.833 nan 8.190 nan 0.000 0.435 365 A N 1.614 124.264 122.820 -0.284 0.000 2.552 365 A HA 0.874 5.195 4.320 0.000 0.000 0.288 365 A C -0.230 177.193 177.584 -0.268 0.000 1.193 365 A CA -0.112 51.745 52.037 -0.299 0.000 0.713 365 A CB 2.020 20.911 19.000 -0.181 0.000 1.305 365 A HN 0.961 nan 8.150 nan 0.000 0.424 366 T N -1.556 112.878 114.554 -0.201 0.000 3.332 366 T HA 0.459 4.809 4.350 0.000 0.000 0.385 366 T C 0.505 175.163 174.700 -0.070 0.000 1.695 366 T CA 0.277 62.303 62.100 -0.124 0.000 1.397 366 T CB 0.735 69.552 68.868 -0.085 0.000 1.100 366 T HN 0.880 nan 8.240 nan 0.000 0.669 367 E N 1.788 121.951 120.200 -0.061 0.000 3.729 367 E HA -0.299 4.051 4.350 0.000 0.000 0.365 367 E C 0.024 176.604 176.600 -0.034 0.000 1.394 367 E CA 2.884 59.261 56.400 -0.039 0.000 1.734 367 E CB -0.883 28.803 29.700 -0.022 0.000 1.570 367 E HN 1.031 nan 8.360 nan 0.000 0.306 368 L N -3.737 117.473 121.223 -0.022 0.000 2.751 368 L HA 0.471 4.811 4.340 0.000 0.000 0.261 368 L C -2.694 174.174 176.870 -0.004 0.000 0.927 368 L CA -1.295 53.536 54.840 -0.015 0.000 0.968 368 L CB 0.755 42.809 42.059 -0.010 0.000 1.432 368 L HN 0.119 nan 8.230 nan 0.000 0.439 369 P HA 0.293 nan 4.420 nan 0.000 0.214 369 P C 0.756 178.063 177.300 0.012 0.000 1.807 369 P CA 0.465 63.571 63.100 0.009 0.000 0.921 369 P CB 1.098 32.804 31.700 0.012 0.000 1.835 370 S N 0.209 115.915 115.700 0.011 0.000 1.799 370 S HA -0.230 4.240 4.470 0.000 0.000 0.230 370 S C 0.690 175.299 174.600 0.016 0.000 0.932 370 S CA 1.059 59.266 58.200 0.013 0.000 1.516 370 S CB -2.263 60.945 63.200 0.013 0.000 1.962 370 S HN 0.591 nan 8.310 nan 0.000 0.542 371 I N 1.793 122.377 120.570 0.022 0.000 3.388 371 I HA 0.102 4.272 4.170 0.000 0.000 0.298 371 I C -2.283 173.853 176.117 0.032 0.000 1.238 371 I CA -0.754 60.566 61.300 0.033 0.000 1.376 371 I CB -0.842 37.185 38.000 0.045 0.000 1.470 371 I HN 0.074 nan 8.210 nan 0.000 0.547 372 P HA -0.112 nan 4.420 nan 0.000 0.255 372 P C 1.476 178.796 177.300 0.033 0.000 1.151 372 P CA 1.365 64.481 63.100 0.027 0.000 0.767 372 P CB 0.646 32.362 31.700 0.027 0.000 0.736 373 G N 4.540 113.352 108.800 0.020 0.000 3.356 373 G HA2 -0.433 3.527 3.960 0.000 0.000 0.377 373 G HA3 -0.433 3.527 3.960 0.000 0.000 0.377 373 G C 1.168 176.083 174.900 0.024 0.000 2.038 373 G CA 1.932 47.040 45.100 0.014 0.000 2.303 373 G HN 0.577 nan 8.290 nan 0.000 0.974 374 T N -2.646 111.938 114.554 0.050 0.000 3.272 374 T HA 0.510 4.860 4.350 0.000 0.000 0.250 374 T C 1.546 176.356 174.700 0.183 0.000 1.082 374 T CA 1.139 63.294 62.100 0.091 0.000 0.968 374 T CB 0.467 69.384 68.868 0.082 0.000 1.015 374 T HN 0.226 nan 8.240 nan 0.000 0.563 375 S N 0.561 116.362 115.700 0.168 0.000 2.554 375 S HA 0.430 4.900 4.470 0.000 0.000 0.226 375 S C 0.308 175.075 174.600 0.279 0.000 0.980 375 S CA -0.517 57.835 58.200 0.253 0.000 0.939 375 S CB 0.038 63.316 63.200 0.129 0.000 0.832 375 S HN 0.557 nan 8.310 nan 0.000 0.486 376 I N 2.108 122.717 120.570 0.065 0.000 2.354 376 I HA 0.387 4.557 4.170 0.000 0.000 0.292 376 I C 0.775 176.505 176.117 -0.644 0.000 0.989 376 I CA -0.824 60.374 61.300 -0.169 0.000 1.188 376 I CB 1.486 39.415 38.000 -0.118 0.000 1.342 376 I HN 0.129 nan 8.210 nan 0.000 0.457 377 G N 7.114 115.308 108.800 -1.011 0.000 2.483 377 G HA2 0.357 4.317 3.960 0.000 0.000 0.248 377 G HA3 0.357 4.317 3.960 0.000 0.000 0.248 377 G C -2.568 171.979 174.900 -0.589 0.000 1.248 377 G CA -0.768 43.510 45.100 -1.371 0.000 0.838 377 G HN 0.304 nan 8.290 nan 0.000 0.566 378 P HA 0.164 nan 4.420 nan 0.000 0.272 378 P C -0.586 176.598 177.300 -0.194 0.000 1.230 378 P CA -0.585 62.369 63.100 -0.243 0.000 0.788 378 P CB 1.311 32.913 31.700 -0.164 0.000 0.949 379 L N 2.767 123.893 121.223 -0.161 0.000 2.337 379 L HA 0.433 4.773 4.340 0.000 0.000 0.269 379 L C -0.979 175.801 176.870 -0.149 0.000 1.018 379 L CA -0.132 54.614 54.840 -0.156 0.000 0.876 379 L CB -0.139 41.824 42.059 -0.160 0.000 1.236 379 L HN 0.140 nan 8.230 nan 0.000 0.436 380 D N 3.885 124.201 120.400 -0.140 0.000 2.168 380 D HA 0.542 5.182 4.640 0.000 0.000 0.246 380 D C -0.608 175.594 176.300 -0.163 0.000 1.050 380 D CA 0.012 53.933 54.000 -0.131 0.000 0.857 380 D CB 2.826 43.569 40.800 -0.095 0.000 1.169 380 D HN 0.371 nan 8.370 nan 0.000 0.453 381 V N -0.951 118.853 119.914 -0.184 0.000 2.876 381 V HA 0.887 5.008 4.120 0.000 0.000 0.312 381 V C -1.634 174.360 176.094 -0.166 0.000 1.085 381 V CA -0.612 61.552 62.300 -0.227 0.000 0.945 381 V CB 1.835 33.432 31.823 -0.378 0.000 1.017 381 V HN 0.664 nan 8.190 nan 0.000 0.428 382 A N 6.145 128.879 122.820 -0.143 0.000 2.398 382 A HA 0.891 5.211 4.320 0.000 0.000 0.301 382 A C -1.215 176.326 177.584 -0.073 0.000 1.041 382 A CA -0.706 51.279 52.037 -0.088 0.000 0.711 382 A CB 1.432 20.394 19.000 -0.063 0.000 1.240 382 A HN 1.121 nan 8.150 nan 0.000 0.420 383 L N 1.602 122.805 121.223 -0.033 0.000 2.329 383 L HA 0.904 5.244 4.340 0.000 0.000 0.279 383 L C 0.299 177.173 176.870 0.006 0.000 1.014 383 L CA -0.495 54.345 54.840 -0.001 0.000 0.814 383 L CB 1.872 43.962 42.059 0.052 0.000 1.257 383 L HN 0.903 nan 8.230 nan 0.000 0.424 384 A N 0.907 123.731 122.820 0.007 0.000 2.588 384 A HA 0.655 4.975 4.320 0.000 0.000 0.290 384 A C -0.089 177.500 177.584 0.009 0.000 1.136 384 A CA -0.153 51.887 52.037 0.005 0.000 0.681 384 A CB 1.365 20.362 19.000 -0.004 0.000 1.282 384 A HN 1.001 nan 8.150 nan 0.000 0.421 385 S N 1.065 116.768 115.700 0.006 0.000 3.245 385 S HA -0.220 4.250 4.470 0.000 0.000 0.306 385 S C 0.490 175.096 174.600 0.010 0.000 0.878 385 S CA 1.516 59.719 58.200 0.005 0.000 1.354 385 S CB -1.364 61.837 63.200 0.002 0.000 0.969 385 S HN 1.862 nan 8.310 nan 0.000 0.493 386 Q N -3.703 116.105 119.800 0.013 0.000 2.305 386 Q HA -0.282 4.058 4.340 0.000 0.000 0.203 386 Q C 0.600 176.618 176.000 0.030 0.000 0.663 386 Q CA 1.703 57.516 55.803 0.017 0.000 1.389 386 Q CB -2.685 26.061 28.738 0.013 0.000 1.566 386 Q HN 1.770 nan 8.270 nan 0.000 0.755 387 A N 1.198 124.038 122.820 0.034 0.000 2.429 387 A HA 0.486 4.806 4.320 0.000 0.000 0.242 387 A C 0.522 178.152 177.584 0.078 0.000 1.088 387 A CA 0.335 52.401 52.037 0.049 0.000 0.784 387 A CB 0.497 19.520 19.000 0.038 0.000 1.038 387 A HN 0.272 nan 8.150 nan 0.000 0.501 388 R N 0.350 120.912 120.500 0.103 0.000 2.564 388 R HA 0.333 4.673 4.340 0.000 0.000 0.284 388 R C -2.347 174.091 176.300 0.229 0.000 1.031 388 R CA -0.442 55.745 56.100 0.144 0.000 0.904 388 R CB 1.352 31.713 30.300 0.101 0.000 1.199 388 R HN 0.801 nan 8.270 nan 0.000 0.443 389 W N 4.771 126.116 121.300 0.074 0.000 2.471 389 W HA 0.367 5.027 4.660 0.000 0.000 0.318 389 W C -1.132 175.508 176.519 0.200 0.000 1.034 389 W CA -0.715 56.676 57.345 0.077 0.000 1.224 389 W CB 1.640 31.088 29.460 -0.019 0.000 1.335 389 W HN 0.475 nan 8.180 nan 0.000 0.452 390 T N 4.645 119.142 114.554 -0.095 0.000 2.833 390 T HA 0.809 5.159 4.350 0.000 0.000 0.297 390 T C -0.223 174.280 174.700 -0.329 0.000 1.015 390 T CA 0.306 62.263 62.100 -0.239 0.000 0.963 390 T CB 0.405 69.224 68.868 -0.081 0.000 0.955 390 T HN 1.167 nan 8.240 nan 0.000 0.449 391 G N 2.071 110.555 108.800 -0.527 0.000 2.317 391 G HA2 0.676 4.636 3.960 0.000 0.000 0.293 391 G HA3 0.676 4.636 3.960 0.000 0.000 0.293 391 G C -1.518 173.268 174.900 -0.190 0.000 1.287 391 G CA -0.232 44.725 45.100 -0.237 0.000 0.850 391 G HN 1.221 nan 8.290 nan 0.000 0.515 392 A N -1.076 121.802 122.820 0.096 0.000 2.469 392 A HA 1.042 5.362 4.320 0.000 0.000 0.299 392 A C -0.138 177.652 177.584 0.343 0.000 1.098 392 A CA 0.245 52.410 52.037 0.213 0.000 0.737 392 A CB 1.845 20.906 19.000 0.103 0.000 1.312 392 A HN 1.940 nan 8.150 nan 0.000 0.414 393 T N -0.789 113.975 114.554 0.350 0.000 2.821 393 T HA 0.653 5.003 4.350 0.000 0.000 0.306 393 T C -0.244 174.558 174.700 0.170 0.000 1.313 393 T CA -0.823 61.424 62.100 0.246 0.000 1.012 393 T CB 1.682 70.674 68.868 0.208 0.000 1.298 393 T HN 0.563 nan 8.240 nan 0.000 0.502 394 R N -0.626 119.932 120.500 0.096 0.000 2.549 394 R HA 0.497 4.837 4.340 0.000 0.000 0.399 394 R C 0.649 176.961 176.300 0.020 0.000 0.964 394 R CA 0.058 56.195 56.100 0.062 0.000 1.173 394 R CB 0.974 31.300 30.300 0.043 0.000 1.535 394 R HN 0.717 nan 8.270 nan 0.000 0.551 395 A N 0.351 123.171 122.820 -0.000 0.000 2.600 395 A HA 0.249 4.569 4.320 0.000 0.000 0.252 395 A C 0.249 177.788 177.584 -0.074 0.000 1.200 395 A CA -0.009 51.999 52.037 -0.047 0.000 0.981 395 A CB 0.963 19.918 19.000 -0.076 0.000 1.207 395 A HN -0.024 nan 8.150 nan 0.000 0.577 396 V N 1.941 121.812 119.914 -0.072 0.000 2.432 396 V HA 0.100 4.220 4.120 0.000 0.000 0.271 396 V C 0.525 176.574 176.094 -0.076 0.000 1.046 396 V CA -0.090 62.141 62.300 -0.115 0.000 0.945 396 V CB 1.082 32.799 31.823 -0.176 0.000 0.992 396 V HN 0.450 nan 8.190 nan 0.000 0.471 397 D N 2.526 122.874 120.400 -0.086 0.000 2.137 397 D HA -0.009 4.632 4.640 0.000 0.000 0.202 397 D C 0.887 177.160 176.300 -0.044 0.000 0.970 397 D CA 1.249 55.213 54.000 -0.060 0.000 0.837 397 D CB 0.496 41.252 40.800 -0.074 0.000 0.981 397 D HN 0.669 nan 8.370 nan 0.000 0.475 398 S N -0.066 115.596 115.700 -0.063 0.000 2.549 398 S HA 0.565 5.035 4.470 0.000 0.000 0.280 398 S C -1.182 173.374 174.600 -0.072 0.000 1.109 398 S CA -0.964 57.210 58.200 -0.044 0.000 0.905 398 S CB 2.721 65.901 63.200 -0.032 0.000 1.081 398 S HN 0.048 nan 8.310 nan 0.000 0.477 399 L N 2.429 123.626 121.223 -0.043 0.000 2.439 399 L HA 0.740 5.080 4.340 0.000 0.000 0.270 399 L C -0.676 176.189 176.870 -0.008 0.000 0.972 399 L CA -0.038 54.766 54.840 -0.061 0.000 0.836 399 L CB 2.051 44.057 42.059 -0.088 0.000 1.255 399 L HN 0.990 nan 8.230 nan 0.000 0.404 400 S N 5.144 120.832 115.700 -0.021 0.000 2.475 400 S HA 0.842 5.313 4.470 0.000 0.000 0.298 400 S C -0.393 174.214 174.600 0.013 0.000 1.119 400 S CA -0.616 57.587 58.200 0.005 0.000 1.085 400 S CB 1.342 64.540 63.200 -0.003 0.000 1.028 400 S HN 0.525 nan 8.310 nan 0.000 0.489 401 I N 2.548 123.137 120.570 0.032 0.000 2.493 401 I HA 0.326 4.496 4.170 0.000 0.000 0.279 401 I C -1.047 175.085 176.117 0.024 0.000 1.045 401 I CA -0.320 61.005 61.300 0.041 0.000 1.106 401 I CB 1.467 39.509 38.000 0.070 0.000 1.216 401 I HN 0.662 nan 8.210 nan 0.000 0.459 402 D N 6.655 127.065 120.400 0.016 0.000 2.414 402 D HA 0.140 4.780 4.640 0.000 0.000 0.232 402 D C 0.338 176.642 176.300 0.007 0.000 1.070 402 D CA -0.305 53.700 54.000 0.008 0.000 0.839 402 D CB 0.939 41.742 40.800 0.004 0.000 1.079 402 D HN 0.510 nan 8.370 nan 0.000 0.521 403 N N 2.221 120.922 118.700 0.002 0.000 2.716 403 N HA -0.241 4.499 4.740 0.000 0.000 0.250 403 N C -1.551 173.963 175.510 0.007 0.000 1.033 403 N CA 1.249 54.299 53.050 -0.001 0.000 0.727 403 N CB -0.861 37.624 38.487 -0.003 0.000 0.950 403 N HN 0.561 nan 8.380 nan 0.000 0.541 404 A N -1.523 121.307 122.820 0.017 0.000 2.533 404 A HA 0.835 5.155 4.320 0.000 0.000 0.293 404 A C -0.254 177.360 177.584 0.051 0.000 1.228 404 A CA 0.114 52.172 52.037 0.035 0.000 0.689 404 A CB 1.612 20.639 19.000 0.045 0.000 1.303 404 A HN 0.585 nan 8.150 nan 0.000 0.444 405 T N -1.204 113.401 114.554 0.085 0.000 2.916 405 T HA 0.521 4.872 4.350 0.000 0.000 0.305 405 T C -2.248 172.580 174.700 0.213 0.000 1.119 405 T CA -0.127 62.036 62.100 0.105 0.000 1.008 405 T CB 1.326 70.220 68.868 0.044 0.000 1.129 405 T HN 1.381 nan 8.240 nan 0.000 0.480 406 W N 6.108 127.397 121.300 -0.019 0.000 2.318 406 W HA 0.610 5.270 4.660 0.000 0.000 0.315 406 W C -1.581 174.830 176.519 -0.179 0.000 1.033 406 W CA -1.606 55.699 57.345 -0.067 0.000 1.275 406 W CB 0.622 30.069 29.460 -0.022 0.000 1.250 406 W HN 0.502 nan 8.180 nan 0.000 0.421 407 V N 9.127 128.982 119.914 -0.099 0.000 2.338 407 V HA 0.103 4.223 4.120 0.000 0.000 0.255 407 V C 0.713 176.444 176.094 -0.606 0.000 1.082 407 V CA -0.387 61.734 62.300 -0.298 0.000 0.951 407 V CB 0.397 32.135 31.823 -0.142 0.000 1.102 407 V HN 0.613 nan 8.190 nan 0.000 0.489 408 M N 4.724 123.718 119.600 -1.010 0.000 2.184 408 M HA 0.129 4.609 4.480 0.000 0.000 0.351 408 M C 1.276 177.267 176.300 -0.514 0.000 1.395 408 M CA 0.023 54.661 55.300 -1.104 0.000 1.117 408 M CB 1.147 32.794 32.600 -1.589 0.000 1.708 408 M HN 0.811 nan 8.290 nan 0.000 0.468 409 T N 0.134 114.500 114.554 -0.313 0.000 3.044 409 T HA 0.226 4.576 4.350 0.000 0.000 0.250 409 T C 0.070 174.706 174.700 -0.105 0.000 1.081 409 T CA -0.074 61.929 62.100 -0.162 0.000 1.040 409 T CB 0.197 69.005 68.868 -0.100 0.000 0.962 409 T HN 0.675 nan 8.240 nan 0.000 0.506 410 D N 0.086 120.417 120.400 -0.116 0.000 2.671 410 D HA 0.252 4.892 4.640 0.000 0.000 0.273 410 D C -1.445 174.818 176.300 -0.063 0.000 1.264 410 D CA -0.746 53.216 54.000 -0.063 0.000 0.788 410 D CB 1.057 41.844 40.800 -0.022 0.000 1.324 410 D HN -0.164 nan 8.370 nan 0.000 0.424 411 N N 0.391 119.072 118.700 -0.031 0.000 2.294 411 N HA 0.136 4.876 4.740 0.000 0.000 0.263 411 N C -0.779 174.751 175.510 0.034 0.000 1.281 411 N CA 0.727 53.775 53.050 -0.004 0.000 0.846 411 N CB 0.239 38.725 38.487 -0.002 0.000 1.061 411 N HN 0.203 nan 8.380 nan 0.000 0.478 412 S N 1.713 117.449 115.700 0.059 0.000 2.569 412 S HA 0.458 4.928 4.470 0.000 0.000 0.280 412 S C -0.673 174.031 174.600 0.173 0.000 1.111 412 S CA -0.971 57.325 58.200 0.161 0.000 0.887 412 S CB 1.828 65.213 63.200 0.308 0.000 1.095 412 S HN 0.419 nan 8.310 nan 0.000 0.476 413 N N 1.213 120.015 118.700 0.169 0.000 2.372 413 N HA 0.567 5.307 4.740 0.000 0.000 0.285 413 N C -1.595 173.997 175.510 0.137 0.000 1.008 413 N CA -0.259 52.872 53.050 0.134 0.000 0.880 413 N CB 2.094 40.632 38.487 0.084 0.000 1.239 413 N HN 0.252 nan 8.380 nan 0.000 0.484 414 V N 1.055 121.053 119.914 0.140 0.000 2.686 414 V HA 0.351 4.471 4.120 0.000 0.000 0.306 414 V C 1.302 177.443 176.094 0.080 0.000 1.065 414 V CA -0.560 61.801 62.300 0.101 0.000 0.894 414 V CB 1.842 33.746 31.823 0.135 0.000 1.004 414 V HN 0.850 nan 8.190 nan 0.000 0.424 415 G N 3.650 112.475 108.800 0.041 0.000 2.604 415 G HA2 0.117 4.077 3.960 0.000 0.000 0.216 415 G HA3 0.117 4.077 3.960 0.000 0.000 0.216 415 G C 0.520 175.451 174.900 0.052 0.000 1.265 415 G CA 0.988 46.110 45.100 0.036 0.000 0.804 415 G HN 1.116 nan 8.290 nan 0.000 0.579 416 A N -0.709 122.137 122.820 0.044 0.000 2.319 416 A HA 0.669 4.989 4.320 0.000 0.000 0.310 416 A C -1.252 176.374 177.584 0.069 0.000 1.152 416 A CA -0.495 51.576 52.037 0.057 0.000 0.783 416 A CB 1.645 20.669 19.000 0.040 0.000 1.184 416 A HN 0.631 nan 8.150 nan 0.000 0.474 417 L N 2.722 124.007 121.223 0.104 0.000 2.298 417 L HA 0.760 5.100 4.340 0.000 0.000 0.284 417 L C -0.320 176.620 176.870 0.117 0.000 1.013 417 L CA -0.176 54.739 54.840 0.125 0.000 0.824 417 L CB 1.147 43.327 42.059 0.202 0.000 1.221 417 L HN 0.702 nan 8.230 nan 0.000 0.418 418 R N 4.929 125.483 120.500 0.090 0.000 2.494 418 R HA 0.784 5.124 4.340 0.000 0.000 0.305 418 R C -1.301 175.046 176.300 0.078 0.000 0.959 418 R CA -0.326 55.826 56.100 0.087 0.000 0.864 418 R CB 1.624 31.959 30.300 0.058 0.000 1.159 418 R HN 0.624 nan 8.270 nan 0.000 0.446 419 L N 1.526 122.807 121.223 0.097 0.000 2.341 419 L HA 0.960 5.300 4.340 0.000 0.000 0.267 419 L C -0.423 176.477 176.870 0.050 0.000 1.009 419 L CA -0.996 53.884 54.840 0.066 0.000 0.819 419 L CB 2.168 44.266 42.059 0.065 0.000 1.323 419 L HN 0.738 nan 8.230 nan 0.000 0.425 420 A N 0.019 122.852 122.820 0.022 0.000 2.610 420 A HA 0.630 4.950 4.320 0.000 0.000 0.291 420 A C -0.321 177.261 177.584 -0.003 0.000 1.086 420 A CA -0.551 51.490 52.037 0.006 0.000 0.677 420 A CB 1.378 20.381 19.000 0.005 0.000 1.278 420 A HN 0.635 nan 8.150 nan 0.000 0.414 421 S N 2.137 117.830 115.700 -0.011 0.000 3.247 421 S HA -0.125 4.345 4.470 0.000 0.000 0.341 421 S C -0.031 174.561 174.600 -0.014 0.000 0.924 421 S CA 1.415 59.608 58.200 -0.013 0.000 1.323 421 S CB -1.300 61.895 63.200 -0.010 0.000 0.918 421 S HN 1.150 nan 8.310 nan 0.000 0.523 422 D N -2.520 117.870 120.400 -0.017 0.000 3.012 422 D HA -0.148 4.492 4.640 0.000 0.000 0.222 422 D C 0.647 176.932 176.300 -0.024 0.000 1.167 422 D CA 1.483 55.471 54.000 -0.022 0.000 0.854 422 D CB -1.633 39.152 40.800 -0.025 0.000 1.107 422 D HN 0.945 nan 8.370 nan 0.000 0.421 423 G N 0.371 109.160 108.800 -0.018 0.000 2.432 423 G HA2 0.394 4.354 3.960 0.000 0.000 0.239 423 G HA3 0.394 4.354 3.960 0.000 0.000 0.239 423 G C 0.396 175.259 174.900 -0.061 0.000 1.291 423 G CA 0.705 45.794 45.100 -0.019 0.000 0.863 423 G HN 0.456 nan 8.290 nan 0.000 0.560 424 S N -0.573 115.093 115.700 -0.056 0.000 2.588 424 S HA 0.629 5.099 4.470 0.000 0.000 0.275 424 S C -1.110 173.438 174.600 -0.088 0.000 1.130 424 S CA -0.840 57.287 58.200 -0.122 0.000 0.855 424 S CB 2.241 65.394 63.200 -0.078 0.000 1.116 424 S HN 0.713 nan 8.310 nan 0.000 0.472 425 V N 2.363 122.164 119.914 -0.190 0.000 2.350 425 V HA 0.471 4.591 4.120 0.000 0.000 0.285 425 V C -0.888 175.198 176.094 -0.014 0.000 1.014 425 V CA -0.470 61.754 62.300 -0.126 0.000 0.831 425 V CB 1.177 32.940 31.823 -0.099 0.000 1.000 425 V HN 0.982 nan 8.190 nan 0.000 0.433 426 D N 4.551 124.888 120.400 -0.106 0.000 2.412 426 D HA 0.309 4.949 4.640 0.000 0.000 0.224 426 D C -0.542 175.718 176.300 -0.066 0.000 1.093 426 D CA -0.520 53.486 54.000 0.009 0.000 0.850 426 D CB 0.754 41.540 40.800 -0.023 0.000 1.046 426 D HN 0.241 nan 8.370 nan 0.000 0.507 427 F N 2.834 122.724 119.950 -0.100 0.000 2.487 427 F HA 0.112 4.639 4.527 0.000 0.000 0.364 427 F C 1.445 177.204 175.800 -0.070 0.000 1.126 427 F CA -0.228 57.700 58.000 -0.118 0.000 1.135 427 F CB 0.176 39.149 39.000 -0.045 0.000 1.127 427 F HN 0.297 nan 8.300 nan 0.000 0.559 428 Q N 3.456 123.254 119.800 -0.004 0.000 2.304 428 Q HA -0.084 4.257 4.340 0.000 0.000 0.301 428 Q C 0.224 176.270 176.000 0.077 0.000 1.063 428 Q CA -0.156 55.654 55.803 0.012 0.000 0.947 428 Q CB 0.528 29.237 28.738 -0.049 0.000 1.201 428 Q HN 0.646 nan 8.270 nan 0.000 0.389 429 Q N 5.476 125.323 119.800 0.078 0.000 2.255 429 Q HA 0.141 4.481 4.340 0.000 0.000 0.280 429 Q C -2.056 174.005 176.000 0.101 0.000 1.068 429 Q CA -1.445 54.414 55.803 0.094 0.000 0.911 429 Q CB 0.670 29.452 28.738 0.073 0.000 1.157 429 Q HN 0.444 nan 8.270 nan 0.000 0.380 430 P HA 0.084 nan 4.420 nan 0.000 0.276 430 P C -0.689 176.674 177.300 0.105 0.000 1.244 430 P CA -0.047 63.126 63.100 0.121 0.000 0.801 430 P CB 1.232 33.024 31.700 0.153 0.000 1.006 431 A N 1.883 124.741 122.820 0.063 0.000 1.930 431 A HA -0.046 4.274 4.320 0.000 0.000 0.215 431 A C 0.861 178.473 177.584 0.047 0.000 1.176 431 A CA 1.010 53.077 52.037 0.050 0.000 0.632 431 A CB -0.537 18.481 19.000 0.030 0.000 0.819 431 A HN 0.670 nan 8.150 nan 0.000 0.445 432 E N 0.062 120.279 120.200 0.028 0.000 2.175 432 E HA 0.544 4.894 4.350 0.000 0.000 0.278 432 E C -0.418 176.161 176.600 -0.034 0.000 0.969 432 E CA -0.564 55.833 56.400 -0.004 0.000 0.796 432 E CB 1.508 31.188 29.700 -0.033 0.000 1.104 432 E HN 0.378 nan 8.360 nan 0.000 0.395 433 A N 1.814 124.609 122.820 -0.042 0.000 2.498 433 A HA 0.422 4.742 4.320 0.000 0.000 0.239 433 A C 1.259 178.579 177.584 -0.439 0.000 1.068 433 A CA 0.675 52.632 52.037 -0.132 0.000 0.766 433 A CB -0.311 18.684 19.000 -0.009 0.000 1.003 433 A HN 0.890 nan 8.150 nan 0.000 0.497 434 G N 1.017 109.119 108.800 -1.163 0.000 2.162 434 G HA2 -0.281 3.679 3.960 0.000 0.000 0.260 434 G HA3 -0.281 3.679 3.960 0.000 0.000 0.260 434 G C 0.566 175.138 174.900 -0.546 0.000 0.976 434 G CA 0.741 45.291 45.100 -0.916 0.000 0.655 434 G HN 1.054 nan 8.290 nan 0.000 0.533 435 R N 0.676 120.859 120.500 -0.529 0.000 3.956 435 R HA 0.510 4.850 4.340 0.000 0.000 0.237 435 R C 0.908 177.162 176.300 -0.077 0.000 1.552 435 R CA -0.803 55.151 56.100 -0.243 0.000 1.529 435 R CB -0.749 29.464 30.300 -0.145 0.000 1.376 435 R HN 0.418 nan 8.270 nan 0.000 0.733 436 F N -0.281 119.615 119.950 -0.089 0.000 2.444 436 F HA 0.413 4.940 4.527 0.000 0.000 0.331 436 F C -0.443 175.413 175.800 0.093 0.000 1.167 436 F CA -0.551 57.517 58.000 0.114 0.000 1.262 436 F CB 0.668 39.742 39.000 0.124 0.000 1.196 436 F HN -0.078 nan 8.300 nan 0.000 0.583 437 K N 1.520 122.135 120.400 0.357 0.000 2.350 437 K HA 0.750 5.070 4.320 0.000 0.000 0.241 437 K C -1.630 175.211 176.600 0.402 0.000 0.994 437 K CA -1.257 55.175 56.287 0.240 0.000 0.839 437 K CB 2.627 35.261 32.500 0.224 0.000 1.244 437 K HN 0.534 nan 8.250 nan 0.000 0.443 438 V N 2.517 122.588 119.914 0.262 0.000 2.444 438 V HA 0.259 4.379 4.120 0.000 0.000 0.294 438 V C -1.141 175.071 176.094 0.196 0.000 1.022 438 V CA -0.919 61.542 62.300 0.269 0.000 0.850 438 V CB 1.457 33.389 31.823 0.181 0.000 0.992 438 V HN 0.504 nan 8.190 nan 0.000 0.426 439 L N 5.552 126.926 121.223 0.250 0.000 2.272 439 L HA 0.664 5.004 4.340 0.000 0.000 0.284 439 L C 0.244 177.203 176.870 0.149 0.000 1.045 439 L CA 0.374 55.291 54.840 0.127 0.000 0.842 439 L CB 1.144 43.238 42.059 0.058 0.000 1.224 439 L HN 0.820 nan 8.230 nan 0.000 0.430 440 T N 3.693 118.325 114.554 0.130 0.000 2.794 440 T HA 0.695 5.045 4.350 0.000 0.000 0.280 440 T C -0.864 173.910 174.700 0.125 0.000 0.987 440 T CA -0.421 61.748 62.100 0.114 0.000 0.993 440 T CB 1.293 70.214 68.868 0.089 0.000 0.939 440 T HN 0.545 nan 8.240 nan 0.000 0.449 441 V N 4.560 124.544 119.914 0.116 0.000 3.007 441 V HA 0.485 4.605 4.120 0.000 0.000 0.311 441 V C 0.122 176.272 176.094 0.093 0.000 1.120 441 V CA -0.807 61.564 62.300 0.118 0.000 0.980 441 V CB 2.363 34.276 31.823 0.151 0.000 1.033 441 V HN 0.995 nan 8.190 nan 0.000 0.429 442 N N 1.644 120.393 118.700 0.082 0.000 2.197 442 N HA 0.043 4.783 4.740 0.000 0.000 0.184 442 N C 0.484 176.040 175.510 0.077 0.000 1.030 442 N CA 1.520 54.611 53.050 0.069 0.000 0.851 442 N CB 0.068 38.588 38.487 0.055 0.000 1.003 442 N HN 0.920 nan 8.380 nan 0.000 0.430 443 T N -1.335 113.268 114.554 0.083 0.000 2.900 443 T HA 0.609 4.959 4.350 0.000 0.000 0.295 443 T C -0.928 173.837 174.700 0.108 0.000 1.044 443 T CA -0.858 61.296 62.100 0.090 0.000 0.995 443 T CB 2.272 71.185 68.868 0.076 0.000 1.072 443 T HN -0.052 nan 8.240 nan 0.000 0.473 444 L N 1.799 123.092 121.223 0.118 0.000 2.385 444 L HA 0.952 5.292 4.340 0.000 0.000 0.273 444 L C -0.719 176.239 176.870 0.148 0.000 0.990 444 L CA -0.440 54.477 54.840 0.129 0.000 0.821 444 L CB 1.290 43.415 42.059 0.109 0.000 1.279 444 L HN 1.303 nan 8.230 nan 0.000 0.412 445 A N 2.588 125.514 122.820 0.176 0.000 2.602 445 A HA 0.961 5.281 4.320 0.000 0.000 0.290 445 A C 0.066 177.793 177.584 0.237 0.000 1.114 445 A CA 0.001 52.151 52.037 0.188 0.000 0.683 445 A CB 0.788 19.853 19.000 0.109 0.000 1.281 445 A HN 2.078 nan 8.150 nan 0.000 0.416 446 G N -0.490 108.388 108.800 0.130 0.000 2.481 446 G HA2 0.365 4.326 3.960 0.000 0.000 0.230 446 G HA3 0.365 4.326 3.960 0.000 0.000 0.230 446 G C 0.146 174.989 174.900 -0.095 0.000 1.210 446 G CA 0.578 45.714 45.100 0.060 0.000 0.936 446 G HN 2.401 nan 8.290 nan 0.000 0.583 447 S N -0.026 115.631 115.700 -0.071 0.000 2.680 447 S HA 0.748 5.218 4.470 0.000 0.000 0.262 447 S C 0.091 174.700 174.600 0.016 0.000 1.138 447 S CA 0.877 58.948 58.200 -0.214 0.000 1.072 447 S CB 0.566 63.653 63.200 -0.188 0.000 1.097 447 S HN 2.364 nan 8.310 nan 0.000 0.468 448 G N 2.614 111.546 108.800 0.220 0.000 2.921 448 G HA2 0.694 4.654 3.960 0.000 0.000 0.291 448 G HA3 0.694 4.654 3.960 0.000 0.000 0.291 448 G C -1.983 172.959 174.900 0.070 0.000 1.370 448 G CA -0.595 44.561 45.100 0.094 0.000 0.847 448 G HN 0.747 nan 8.290 nan 0.000 0.532 449 L N -0.054 121.113 121.223 -0.094 0.000 2.408 449 L HA 0.751 5.091 4.340 0.000 0.000 0.268 449 L C -1.744 175.030 176.870 -0.161 0.000 0.986 449 L CA -0.701 54.133 54.840 -0.010 0.000 0.820 449 L CB 1.691 43.760 42.059 0.016 0.000 1.303 449 L HN 0.466 nan 8.230 nan 0.000 0.411 450 F N 3.856 123.915 119.950 0.181 0.000 2.449 450 F HA 0.532 5.059 4.527 0.000 0.000 0.342 450 F C 0.348 176.270 175.800 0.202 0.000 1.127 450 F CA -0.656 57.465 58.000 0.202 0.000 0.975 450 F CB 1.477 40.594 39.000 0.195 0.000 1.146 450 F HN 0.270 nan 8.300 nan 0.000 0.444 451 R N 4.729 125.462 120.500 0.389 0.000 2.207 451 R HA 0.648 4.988 4.340 0.000 0.000 0.334 451 R C -0.844 175.616 176.300 0.267 0.000 1.013 451 R CA -0.310 56.039 56.100 0.416 0.000 0.858 451 R CB 0.975 31.507 30.300 0.387 0.000 1.094 451 R HN 0.652 nan 8.270 nan 0.000 0.457 452 M N 2.186 121.807 119.600 0.036 0.000 2.393 452 M HA 0.340 4.820 4.480 0.000 0.000 0.316 452 M C -0.532 175.602 176.300 -0.277 0.000 1.087 452 M CA -0.897 54.235 55.300 -0.280 0.000 0.937 452 M CB 2.175 34.482 32.600 -0.488 0.000 1.668 452 M HN 0.395 nan 8.290 nan 0.000 0.438 453 N N 1.693 120.233 118.700 -0.267 0.000 2.499 453 N HA 0.444 5.184 4.740 0.000 0.000 0.281 453 N C -1.256 173.936 175.510 -0.530 0.000 1.098 453 N CA -0.132 52.689 53.050 -0.382 0.000 0.979 453 N CB 2.168 40.476 38.487 -0.299 0.000 1.121 453 N HN 0.320 nan 8.380 nan 0.000 0.466 454 V N 2.920 122.412 119.914 -0.705 0.000 2.540 454 V HA 0.407 4.527 4.120 0.000 0.000 0.302 454 V C -0.825 174.798 176.094 -0.785 0.000 1.035 454 V CA -0.637 61.293 62.300 -0.617 0.000 0.873 454 V CB 1.070 32.575 31.823 -0.530 0.000 0.992 454 V HN 0.474 nan 8.190 nan 0.000 0.428 455 F N 3.542 123.395 119.950 -0.162 0.000 2.334 455 F HA 0.517 5.044 4.527 0.000 0.000 0.343 455 F C 1.325 177.058 175.800 -0.112 0.000 1.136 455 F CA -0.199 57.738 58.000 -0.106 0.000 1.237 455 F CB 0.896 39.865 39.000 -0.052 0.000 1.525 455 F HN 0.606 nan 8.300 nan 0.000 0.528 456 A N 1.449 124.235 122.820 -0.056 0.000 1.896 456 A HA -0.300 4.020 4.320 0.000 0.000 0.220 456 A C 2.322 179.923 177.584 0.029 0.000 1.206 456 A CA 2.498 54.518 52.037 -0.028 0.000 0.647 456 A CB -0.611 18.373 19.000 -0.027 0.000 0.828 456 A HN 0.681 nan 8.150 nan 0.000 0.455 457 D N -0.049 120.376 120.400 0.041 0.000 2.218 457 D HA -0.136 4.504 4.640 0.000 0.000 0.204 457 D C 1.657 177.973 176.300 0.027 0.000 0.976 457 D CA 1.342 55.360 54.000 0.031 0.000 0.853 457 D CB -0.444 40.382 40.800 0.043 0.000 0.939 457 D HN 0.528 nan 8.370 nan 0.000 0.481 458 L N -0.695 120.559 121.223 0.052 0.000 2.554 458 L HA 0.251 4.591 4.340 0.000 0.000 0.225 458 L C 1.474 178.349 176.870 0.008 0.000 1.104 458 L CA 0.369 55.224 54.840 0.026 0.000 0.866 458 L CB -0.043 42.029 42.059 0.022 0.000 1.047 458 L HN 0.209 nan 8.230 nan 0.000 0.468 459 G N 1.476 110.283 108.800 0.012 0.000 2.246 459 G HA2 -0.258 3.702 3.960 0.000 0.000 0.273 459 G HA3 -0.258 3.702 3.960 0.000 0.000 0.273 459 G C -0.222 174.649 174.900 -0.049 0.000 1.055 459 G CA 0.083 45.173 45.100 -0.017 0.000 0.851 459 G HN 0.222 nan 8.290 nan 0.000 0.500 460 L N -0.172 121.044 121.223 -0.011 0.000 2.354 460 L HA 0.886 5.227 4.340 0.000 0.000 0.264 460 L C 0.432 177.289 176.870 -0.022 0.000 1.008 460 L CA -0.381 54.404 54.840 -0.092 0.000 0.819 460 L CB 2.437 44.477 42.059 -0.031 0.000 1.339 460 L HN 0.599 nan 8.230 nan 0.000 0.420 461 S N -1.222 114.317 115.700 -0.268 0.000 2.615 461 S HA 0.465 4.935 4.470 0.000 0.000 0.269 461 S C -1.437 173.031 174.600 -0.220 0.000 1.161 461 S CA -1.116 56.985 58.200 -0.165 0.000 0.817 461 S CB 1.971 65.017 63.200 -0.256 0.000 1.131 461 S HN 0.484 nan 8.310 nan 0.000 0.467 462 D N 0.903 121.246 120.400 -0.095 0.000 2.363 462 D HA 0.378 5.018 4.640 0.000 0.000 0.240 462 D C -0.168 176.010 176.300 -0.203 0.000 1.236 462 D CA 0.236 54.206 54.000 -0.050 0.000 0.927 462 D CB 0.437 41.014 40.800 -0.373 0.000 1.150 462 D HN 0.551 nan 8.370 nan 0.000 0.458 463 K N 0.442 120.804 120.400 -0.064 0.000 2.527 463 K HA 0.436 4.756 4.320 0.000 0.000 0.260 463 K C -1.736 174.868 176.600 0.007 0.000 0.937 463 K CA -0.680 55.555 56.287 -0.086 0.000 0.826 463 K CB 1.693 34.193 32.500 0.000 0.000 1.359 463 K HN 0.272 nan 8.250 nan 0.000 0.434 464 L N 4.831 125.993 121.223 -0.101 0.000 2.325 464 L HA 0.505 4.845 4.340 0.000 0.000 0.281 464 L C -1.393 175.438 176.870 -0.065 0.000 1.004 464 L CA -0.871 53.926 54.840 -0.072 0.000 0.823 464 L CB 1.715 43.584 42.059 -0.318 0.000 1.236 464 L HN 0.399 nan 8.230 nan 0.000 0.415 465 V N 5.637 125.559 119.914 0.013 0.000 2.409 465 V HA 0.387 4.507 4.120 0.000 0.000 0.291 465 V C -0.161 175.964 176.094 0.052 0.000 1.020 465 V CA -0.611 61.707 62.300 0.030 0.000 0.848 465 V CB 1.954 33.807 31.823 0.051 0.000 0.990 465 V HN 0.466 nan 8.190 nan 0.000 0.430 466 V N 6.212 126.160 119.914 0.057 0.000 2.326 466 V HA 0.267 4.387 4.120 0.000 0.000 0.281 466 V C 0.891 177.031 176.094 0.076 0.000 1.015 466 V CA -0.379 61.969 62.300 0.080 0.000 0.823 466 V CB 1.423 33.308 31.823 0.103 0.000 1.009 466 V HN 0.801 nan 8.190 nan 0.000 0.436 467 M N 2.109 121.751 119.600 0.069 0.000 2.200 467 M HA -0.020 4.460 4.480 0.000 0.000 0.265 467 M C 1.622 177.958 176.300 0.060 0.000 1.066 467 M CA 1.695 57.031 55.300 0.060 0.000 1.127 467 M CB -0.492 32.140 32.600 0.053 0.000 1.379 467 M HN 0.662 nan 8.290 nan 0.000 0.420 468 Q N -1.151 118.687 119.800 0.064 0.000 2.511 468 Q HA 0.062 4.402 4.340 0.000 0.000 0.236 468 Q C -0.205 175.836 176.000 0.068 0.000 0.893 468 Q CA 0.289 56.128 55.803 0.060 0.000 0.947 468 Q CB 1.220 29.990 28.738 0.053 0.000 1.110 468 Q HN 0.220 nan 8.270 nan 0.000 0.591 469 D N -0.243 120.205 120.400 0.080 0.000 2.300 469 D HA 0.233 4.874 4.640 0.000 0.000 0.218 469 D C -1.724 174.640 176.300 0.107 0.000 1.326 469 D CA -0.068 53.985 54.000 0.088 0.000 0.942 469 D CB 0.983 41.826 40.800 0.072 0.000 1.495 469 D HN 0.141 nan 8.370 nan 0.000 0.545 470 A N 2.410 125.310 122.820 0.132 0.000 2.276 470 A HA 0.693 5.014 4.320 0.000 0.000 0.300 470 A C 0.133 177.806 177.584 0.148 0.000 1.235 470 A CA -0.117 52.016 52.037 0.160 0.000 0.867 470 A CB 0.413 19.548 19.000 0.225 0.000 1.137 470 A HN 0.488 nan 8.150 nan 0.000 0.527 471 S N 1.197 116.982 115.700 0.141 0.000 2.667 471 S HA 0.980 5.450 4.470 0.000 0.000 0.292 471 S C 0.094 174.768 174.600 0.123 0.000 1.126 471 S CA -0.327 57.936 58.200 0.105 0.000 0.881 471 S CB 1.377 64.622 63.200 0.075 0.000 1.132 471 S HN 2.571 nan 8.310 nan 0.000 0.492 472 G N 0.470 109.262 108.800 -0.014 0.000 2.603 472 G HA2 0.202 4.162 3.960 0.000 0.000 0.686 472 G HA3 0.202 4.162 3.960 0.000 0.000 0.686 472 G C -1.987 172.632 174.900 -0.469 0.000 1.286 472 G CA -0.954 44.018 45.100 -0.214 0.000 0.871 472 G HN 0.884 nan 8.290 nan 0.000 0.568 473 Q N 0.591 119.984 119.800 -0.679 0.000 2.381 473 Q HA 0.679 5.019 4.340 0.000 0.000 0.263 473 Q C -0.315 175.233 176.000 -0.754 0.000 1.030 473 Q CA -0.468 54.994 55.803 -0.569 0.000 0.772 473 Q CB 1.315 29.875 28.738 -0.296 0.000 1.232 473 Q HN 0.735 nan 8.270 nan 0.000 0.476 474 H N -0.169 118.665 119.070 -0.393 0.000 2.710 474 H HA 0.733 5.289 4.556 0.000 0.000 0.361 474 H C -0.526 174.757 175.328 -0.075 0.000 1.175 474 H CA -1.043 54.871 56.048 -0.223 0.000 1.206 474 H CB 1.583 31.210 29.762 -0.225 0.000 1.750 474 H HN 0.326 nan 8.280 nan 0.000 0.553 475 R N 0.717 121.367 120.500 0.249 0.000 2.740 475 R HA 0.553 4.894 4.340 0.000 0.000 0.282 475 R C -1.232 175.285 176.300 0.362 0.000 0.969 475 R CA -0.753 55.488 56.100 0.235 0.000 0.918 475 R CB 1.665 32.058 30.300 0.155 0.000 1.175 475 R HN 0.374 nan 8.270 nan 0.000 0.464 476 L N 1.736 123.132 121.223 0.287 0.000 2.349 476 L HA 0.484 4.824 4.340 0.000 0.000 0.278 476 L C -1.237 175.774 176.870 0.236 0.000 0.996 476 L CA -0.605 54.385 54.840 0.251 0.000 0.825 476 L CB 1.529 43.651 42.059 0.104 0.000 1.243 476 L HN 0.603 nan 8.230 nan 0.000 0.412 477 W N 4.862 126.195 121.300 0.055 0.000 2.417 477 W HA 0.623 5.283 4.660 0.000 0.000 0.315 477 W C -1.155 175.342 176.519 -0.037 0.000 1.045 477 W CA -0.669 56.683 57.345 0.012 0.000 1.221 477 W CB 1.394 30.866 29.460 0.019 0.000 1.309 477 W HN 0.112 nan 8.180 nan 0.000 0.453 478 V N 7.369 126.833 119.914 -0.749 0.000 2.498 478 V HA 0.329 4.449 4.120 0.000 0.000 0.279 478 V C 0.256 175.556 176.094 -1.323 0.000 1.048 478 V CA -0.643 61.184 62.300 -0.788 0.000 0.967 478 V CB 1.088 32.571 31.823 -0.566 0.000 0.988 478 V HN 0.526 nan 8.190 nan 0.000 0.473 479 R N 3.998 123.970 120.500 -0.880 0.000 2.229 479 R HA 0.284 4.625 4.340 0.000 0.000 0.332 479 R C 0.007 176.006 176.300 -0.502 0.000 0.989 479 R CA -0.630 55.045 56.100 -0.708 0.000 0.842 479 R CB 0.485 30.642 30.300 -0.237 0.000 1.119 479 R HN 0.747 nan 8.270 nan 0.000 0.456 480 N N 2.232 120.686 118.700 -0.411 0.000 2.406 480 N HA -0.004 4.736 4.740 0.000 0.000 0.269 480 N C -0.740 174.608 175.510 -0.269 0.000 1.210 480 N CA 0.348 53.201 53.050 -0.328 0.000 0.966 480 N CB 0.777 39.130 38.487 -0.223 0.000 1.293 480 N HN 0.461 nan 8.380 nan 0.000 0.491 481 S N 0.769 116.230 115.700 -0.398 0.000 2.554 481 S HA 0.333 4.803 4.470 0.000 0.000 0.226 481 S C 0.695 175.212 174.600 -0.138 0.000 0.980 481 S CA -0.239 57.774 58.200 -0.312 0.000 0.939 481 S CB 0.518 63.430 63.200 -0.481 0.000 0.832 481 S HN 0.675 nan 8.310 nan 0.000 0.486 482 G N 0.924 109.667 108.800 -0.094 0.000 3.264 482 G HA2 0.633 4.594 3.960 0.000 0.000 0.168 482 G HA3 0.633 4.594 3.960 0.000 0.000 0.168 482 G C -0.607 174.319 174.900 0.045 0.000 1.145 482 G CA -0.405 44.759 45.100 0.106 0.000 0.855 482 G HN 0.310 nan 8.290 nan 0.000 0.629 483 S N -0.718 115.017 115.700 0.059 0.000 2.768 483 S HA 0.498 4.968 4.470 0.000 0.000 0.300 483 S C -0.233 174.390 174.600 0.040 0.000 1.122 483 S CA -0.592 57.633 58.200 0.042 0.000 0.995 483 S CB 1.540 64.768 63.200 0.046 0.000 1.195 483 S HN 0.845 nan 8.310 nan 0.000 0.547 484 E N 2.012 122.243 120.200 0.051 0.000 2.373 484 E HA 0.244 4.594 4.350 0.000 0.000 0.267 484 E C -2.467 174.175 176.600 0.070 0.000 1.032 484 E CA -1.332 55.116 56.400 0.080 0.000 0.889 484 E CB 0.054 29.814 29.700 0.101 0.000 0.984 484 E HN 0.160 nan 8.360 nan 0.000 0.425 485 P HA 0.075 nan 4.420 nan 0.000 0.274 485 P C -0.686 176.582 177.300 -0.053 0.000 1.237 485 P CA -0.278 62.798 63.100 -0.040 0.000 0.793 485 P CB 1.517 33.133 31.700 -0.140 0.000 0.977 486 A N 0.840 123.595 122.820 -0.108 0.000 2.390 486 A HA 0.364 4.684 4.320 0.000 0.000 0.232 486 A C 0.675 178.211 177.584 -0.081 0.000 1.233 486 A CA 0.516 52.541 52.037 -0.019 0.000 0.907 486 A CB -0.273 18.727 19.000 0.000 0.000 0.967 486 A HN 0.698 nan 8.150 nan 0.000 0.512 487 S N -2.218 113.250 115.700 -0.387 0.000 2.661 487 S HA 0.683 5.154 4.470 0.000 0.000 0.268 487 S C -0.419 173.725 174.600 -0.761 0.000 1.162 487 S CA -0.204 57.767 58.200 -0.381 0.000 0.817 487 S CB 0.732 63.848 63.200 -0.139 0.000 1.141 487 S HN 1.284 nan 8.310 nan 0.000 0.477 488 A N 1.590 124.177 122.820 -0.389 0.000 2.409 488 A HA 0.614 4.934 4.320 0.000 0.000 0.267 488 A C 0.320 177.766 177.584 -0.231 0.000 1.127 488 A CA -0.459 51.388 52.037 -0.316 0.000 0.795 488 A CB -0.849 18.105 19.000 -0.077 0.000 1.061 488 A HN 0.905 nan 8.150 nan 0.000 0.502 489 N N 0.677 119.243 118.700 -0.224 0.000 2.284 489 N HA 0.660 5.400 4.740 0.000 0.000 0.289 489 N C -1.026 174.473 175.510 -0.017 0.000 1.179 489 N CA -0.498 52.496 53.050 -0.093 0.000 0.774 489 N CB 2.198 40.650 38.487 -0.059 0.000 1.548 489 N HN 0.502 nan 8.380 nan 0.000 0.473 490 T N -0.917 113.633 114.554 -0.007 0.000 2.841 490 T HA 0.518 4.868 4.350 0.000 0.000 0.283 490 T C -0.533 174.165 174.700 -0.004 0.000 1.000 490 T CA -0.796 61.317 62.100 0.022 0.000 0.977 490 T CB 1.043 69.903 68.868 -0.013 0.000 0.979 490 T HN 0.405 nan 8.240 nan 0.000 0.446 491 L N 3.296 124.519 121.223 -0.001 0.000 2.296 491 L HA 0.507 4.847 4.340 0.000 0.000 0.286 491 L C -0.297 176.513 176.870 -0.099 0.000 1.023 491 L CA -1.308 53.483 54.840 -0.081 0.000 0.812 491 L CB 1.520 43.504 42.059 -0.124 0.000 1.223 491 L HN 0.534 nan 8.230 nan 0.000 0.421 492 L N 4.453 125.602 121.223 -0.124 0.000 2.385 492 L HA 0.213 4.553 4.340 0.000 0.000 0.285 492 L C 0.490 177.269 176.870 -0.151 0.000 1.125 492 L CA 0.587 55.358 54.840 -0.115 0.000 0.890 492 L CB 0.211 42.209 42.059 -0.100 0.000 1.251 492 L HN 0.639 nan 8.230 nan 0.000 0.445 493 L N 4.199 125.330 121.223 -0.154 0.000 2.127 493 L HA 0.135 4.476 4.340 0.000 0.000 0.203 493 L C 0.117 176.832 176.870 -0.259 0.000 1.080 493 L CA 0.434 55.138 54.840 -0.227 0.000 0.768 493 L CB -0.043 41.873 42.059 -0.237 0.000 0.924 493 L HN 0.381 nan 8.230 nan 0.000 0.444 494 V N -0.377 119.410 119.914 -0.213 0.000 2.638 494 V HA 0.355 4.475 4.120 0.000 0.000 0.306 494 V C -0.892 175.165 176.094 -0.062 0.000 1.052 494 V CA -0.684 61.469 62.300 -0.244 0.000 0.885 494 V CB 1.789 33.265 31.823 -0.578 0.000 0.999 494 V HN 0.078 nan 8.190 nan 0.000 0.424 495 Q N 3.298 123.073 119.800 -0.041 0.000 2.333 495 Q HA 0.746 5.086 4.340 0.000 0.000 0.265 495 Q C -0.396 175.640 176.000 0.061 0.000 0.989 495 Q CA -0.172 55.641 55.803 0.016 0.000 0.842 495 Q CB 1.887 30.628 28.738 0.004 0.000 1.262 495 Q HN 1.045 nan 8.270 nan 0.000 0.451 496 T N 1.240 115.861 114.554 0.111 0.000 2.901 496 T HA 0.759 5.109 4.350 0.000 0.000 0.293 496 T C -2.604 172.162 174.700 0.112 0.000 1.084 496 T CA -2.309 59.880 62.100 0.148 0.000 1.008 496 T CB 1.369 70.398 68.868 0.270 0.000 1.170 496 T HN 0.366 nan 8.240 nan 0.000 0.509 497 P HA 0.097 nan 4.420 nan 0.000 0.268 497 P C 0.927 178.273 177.300 0.077 0.000 1.208 497 P CA -0.625 62.523 63.100 0.079 0.000 0.777 497 P CB 0.359 32.106 31.700 0.078 0.000 0.875 498 L N 3.383 124.636 121.223 0.051 0.000 2.013 498 L HA -0.113 4.227 4.340 0.000 0.000 0.212 498 L C 2.076 178.976 176.870 0.050 0.000 1.073 498 L CA 2.634 57.496 54.840 0.037 0.000 0.753 498 L CB -1.835 40.236 42.059 0.020 0.000 0.890 498 L HN 0.541 nan 8.230 nan 0.000 0.432 499 G N -1.467 107.366 108.800 0.056 0.000 2.430 499 G HA2 -0.155 3.805 3.960 0.000 0.000 0.216 499 G HA3 -0.155 3.805 3.960 0.000 0.000 0.216 499 G C 0.780 175.732 174.900 0.088 0.000 1.146 499 G CA 0.656 45.793 45.100 0.061 0.000 0.793 499 G HN 0.662 nan 8.290 nan 0.000 0.537 500 S N 0.315 116.083 115.700 0.112 0.000 3.776 500 S HA 0.035 4.505 4.470 0.000 0.000 0.453 500 S C 1.504 176.204 174.600 0.166 0.000 1.121 500 S CA 0.683 58.974 58.200 0.152 0.000 0.869 500 S CB 0.386 63.712 63.200 0.209 0.000 0.648 500 S HN 0.958 nan 8.310 nan 0.000 0.469 501 A N 5.106 128.008 122.820 0.136 0.000 2.072 501 A HA 0.543 4.863 4.320 0.000 0.000 0.216 501 A C 1.469 179.126 177.584 0.122 0.000 1.156 501 A CA 0.680 52.787 52.037 0.116 0.000 0.701 501 A CB -0.914 18.131 19.000 0.074 0.000 0.816 501 A HN 1.828 nan 8.150 nan 0.000 0.458 502 A N -0.320 122.581 122.820 0.134 0.000 2.583 502 A HA 0.417 4.737 4.320 0.000 0.000 0.231 502 A C 0.400 177.988 177.584 0.007 0.000 1.065 502 A CA 0.930 52.985 52.037 0.030 0.000 0.760 502 A CB -0.146 18.884 19.000 0.050 0.000 1.001 502 A HN 0.263 nan 8.150 nan 0.000 0.509 503 T N 1.311 115.684 114.554 -0.302 0.000 2.876 503 T HA 0.640 4.990 4.350 0.000 0.000 0.289 503 T C -1.218 172.976 174.700 -0.843 0.000 1.014 503 T CA 0.023 61.924 62.100 -0.333 0.000 0.986 503 T CB 0.359 69.158 68.868 -0.116 0.000 1.021 503 T HN 0.380 nan 8.240 nan 0.000 0.458 504 F N 1.787 121.146 119.950 -0.985 0.000 2.556 504 F HA 0.601 5.129 4.527 0.000 0.000 0.314 504 F C 0.558 176.157 175.800 -0.335 0.000 1.106 504 F CA -0.763 56.802 58.000 -0.724 0.000 0.911 504 F CB 2.408 40.759 39.000 -1.083 0.000 1.190 504 F HN 0.470 nan 8.300 nan 0.000 0.448 505 T N 0.732 115.318 114.554 0.054 0.000 2.893 505 T HA 0.588 4.939 4.350 0.000 0.000 0.293 505 T C -1.094 173.682 174.700 0.126 0.000 1.027 505 T CA -0.824 61.336 62.100 0.101 0.000 0.988 505 T CB 1.798 70.708 68.868 0.070 0.000 1.043 505 T HN 0.413 nan 8.240 nan 0.000 0.461 506 L N 2.687 123.984 121.223 0.123 0.000 2.410 506 L HA 0.557 4.897 4.340 0.000 0.000 0.273 506 L C 1.310 178.255 176.870 0.125 0.000 1.144 506 L CA 0.133 55.038 54.840 0.108 0.000 0.863 506 L CB 0.347 42.453 42.059 0.077 0.000 1.140 506 L HN 1.004 nan 8.230 nan 0.000 0.463 507 A N 3.706 126.631 122.820 0.175 0.000 2.178 507 A HA 0.075 4.395 4.320 0.000 0.000 0.211 507 A C 0.931 178.677 177.584 0.271 0.000 1.157 507 A CA 0.008 52.175 52.037 0.216 0.000 0.780 507 A CB -0.749 18.406 19.000 0.259 0.000 0.828 507 A HN 0.818 nan 8.150 nan 0.000 0.476 508 N N 1.023 119.865 118.700 0.236 0.000 2.374 508 N HA 0.102 4.843 4.740 0.000 0.000 0.241 508 N C 0.096 175.688 175.510 0.137 0.000 1.262 508 N CA 0.309 53.469 53.050 0.183 0.000 0.880 508 N CB 0.248 38.710 38.487 -0.041 0.000 1.105 508 N HN 0.372 nan 8.380 nan 0.000 0.438 509 K N 1.465 121.945 120.400 0.134 0.000 2.511 509 K HA -0.181 4.139 4.320 0.000 0.000 0.280 509 K C -0.573 176.066 176.600 0.066 0.000 1.008 509 K CA 0.385 56.728 56.287 0.093 0.000 1.050 509 K CB 0.143 32.693 32.500 0.083 0.000 0.889 509 K HN 0.572 nan 8.250 nan 0.000 0.484 510 D N 2.753 123.189 120.400 0.059 0.000 3.041 510 D HA -0.177 4.463 4.640 0.000 0.000 0.220 510 D C 0.588 176.919 176.300 0.051 0.000 1.157 510 D CA 1.413 55.442 54.000 0.048 0.000 0.876 510 D CB -1.504 39.319 40.800 0.039 0.000 1.107 510 D HN 1.029 nan 8.370 nan 0.000 0.422 511 G N -0.141 108.696 108.800 0.061 0.000 2.187 511 G HA2 -0.348 3.613 3.960 0.000 0.000 0.261 511 G HA3 -0.348 3.613 3.960 0.000 0.000 0.261 511 G C 0.253 175.188 174.900 0.059 0.000 1.000 511 G CA 1.656 46.795 45.100 0.065 0.000 0.718 511 G HN 0.789 nan 8.290 nan 0.000 0.519 512 K N -2.031 118.398 120.400 0.048 0.000 2.522 512 K HA 0.864 5.184 4.320 0.000 0.000 0.275 512 K C -1.134 175.482 176.600 0.027 0.000 1.006 512 K CA -0.821 55.494 56.287 0.047 0.000 0.890 512 K CB 2.302 34.832 32.500 0.049 0.000 1.475 512 K HN 1.060 nan 8.250 nan 0.000 0.441 513 V N 0.996 120.935 119.914 0.042 0.000 2.612 513 V HA 0.439 4.560 4.120 0.000 0.000 0.301 513 V C -1.837 174.308 176.094 0.085 0.000 1.059 513 V CA -0.538 61.763 62.300 0.002 0.000 0.886 513 V CB 1.769 33.519 31.823 -0.121 0.000 1.007 513 V HN 0.810 nan 8.190 nan 0.000 0.426 514 D N 7.113 127.548 120.400 0.057 0.000 2.317 514 D HA 0.500 5.141 4.640 0.000 0.000 0.234 514 D C -0.292 176.057 176.300 0.083 0.000 1.112 514 D CA 0.364 54.418 54.000 0.089 0.000 0.840 514 D CB 1.688 42.517 40.800 0.047 0.000 1.078 514 D HN 0.532 nan 8.370 nan 0.000 0.486 515 I N 2.028 122.698 120.570 0.167 0.000 2.411 515 I HA 0.380 4.550 4.170 0.000 0.000 0.284 515 I C 1.241 177.466 176.117 0.179 0.000 1.012 515 I CA -0.480 60.900 61.300 0.133 0.000 1.119 515 I CB 1.366 39.428 38.000 0.103 0.000 1.261 515 I HN 0.516 nan 8.210 nan 0.000 0.448 516 G N 5.047 113.913 108.800 0.111 0.000 2.561 516 G HA2 -0.351 3.609 3.960 0.000 0.000 0.289 516 G HA3 -0.351 3.609 3.960 0.000 0.000 0.289 516 G C 0.704 175.647 174.900 0.073 0.000 1.169 516 G CA 0.542 45.708 45.100 0.110 0.000 0.980 516 G HN 0.708 nan 8.290 nan 0.000 0.550 517 T N -2.131 112.454 114.554 0.052 0.000 3.163 517 T HA 0.531 4.881 4.350 0.000 0.000 0.252 517 T C 0.341 174.809 174.700 -0.388 0.000 1.056 517 T CA 0.605 62.610 62.100 -0.159 0.000 0.947 517 T CB -0.009 68.716 68.868 -0.240 0.000 1.016 517 T HN 0.555 nan 8.240 nan 0.000 0.554 518 Y N 1.314 121.606 120.300 -0.013 0.000 2.387 518 Y HA 0.613 5.163 4.550 0.000 0.000 0.336 518 Y C 0.455 176.325 175.900 -0.049 0.000 1.067 518 Y CA -1.535 56.517 58.100 -0.080 0.000 1.114 518 Y CB 1.416 39.788 38.460 -0.147 0.000 1.208 518 Y HN 0.013 nan 8.280 nan 0.000 0.458 519 R N 2.643 123.138 120.500 -0.008 0.000 2.338 519 R HA 0.465 4.805 4.340 0.000 0.000 0.317 519 R C -2.008 174.269 176.300 -0.039 0.000 0.968 519 R CA -0.524 55.590 56.100 0.024 0.000 0.849 519 R CB 0.596 30.891 30.300 -0.008 0.000 1.128 519 R HN 0.668 nan 8.270 nan 0.000 0.448 520 Y N 3.010 123.317 120.300 0.012 0.000 2.377 520 Y HA 0.515 5.066 4.550 0.000 0.000 0.339 520 Y C 0.193 176.086 175.900 -0.012 0.000 1.011 520 Y CA -0.583 57.514 58.100 -0.006 0.000 1.093 520 Y CB 1.840 40.277 38.460 -0.039 0.000 1.201 520 Y HN 0.385 nan 8.280 nan 0.000 0.455 521 R N 1.937 122.521 120.500 0.140 0.000 2.837 521 R HA 0.549 4.889 4.340 0.000 0.000 0.271 521 R C -1.761 174.599 176.300 0.100 0.000 0.993 521 R CA -1.406 54.752 56.100 0.097 0.000 0.931 521 R CB 2.308 32.647 30.300 0.065 0.000 1.206 521 R HN 0.487 nan 8.270 nan 0.000 0.474 522 L N 1.330 122.619 121.223 0.110 0.000 2.371 522 L HA 0.627 4.967 4.340 0.000 0.000 0.272 522 L C -0.830 176.127 176.870 0.145 0.000 1.124 522 L CA 0.282 55.209 54.840 0.145 0.000 0.816 522 L CB 1.375 43.552 42.059 0.198 0.000 1.129 522 L HN 0.843 nan 8.230 nan 0.000 0.448 523 A N 4.038 126.926 122.820 0.114 0.000 2.486 523 A HA 0.923 5.243 4.320 0.000 0.000 0.300 523 A C -1.384 176.116 177.584 -0.140 0.000 1.048 523 A CA -0.094 51.953 52.037 0.016 0.000 0.696 523 A CB 1.528 20.516 19.000 -0.021 0.000 1.278 523 A HN 1.112 nan 8.150 nan 0.000 0.405 524 A N 1.962 124.582 122.820 -0.334 0.000 2.359 524 A HA 0.692 5.012 4.320 0.000 0.000 0.303 524 A C -0.793 176.550 177.584 -0.401 0.000 1.066 524 A CA -0.712 50.902 52.037 -0.706 0.000 0.730 524 A CB 0.854 18.805 19.000 -1.749 0.000 1.211 524 A HN 0.686 nan 8.150 nan 0.000 0.439 525 N N 2.103 120.616 118.700 -0.311 0.000 2.699 525 N HA 0.258 4.998 4.740 0.000 0.000 0.317 525 N C 1.046 176.454 175.510 -0.170 0.000 1.661 525 N CA 0.441 53.380 53.050 -0.186 0.000 0.979 525 N CB 1.190 39.599 38.487 -0.130 0.000 1.329 525 N HN 1.311 nan 8.380 nan 0.000 0.497 526 G N 2.605 111.285 108.800 -0.199 0.000 2.300 526 G HA2 -0.457 3.503 3.960 0.000 0.000 0.267 526 G HA3 -0.457 3.503 3.960 0.000 0.000 0.267 526 G C 1.213 176.048 174.900 -0.108 0.000 0.980 526 G CA 1.371 46.390 45.100 -0.135 0.000 0.635 526 G HN 0.618 nan 8.290 nan 0.000 0.552 527 N N 0.410 119.035 118.700 -0.125 0.000 2.512 527 N HA 0.328 5.068 4.740 0.000 0.000 0.183 527 N C 1.752 177.222 175.510 -0.067 0.000 1.073 527 N CA 1.756 54.755 53.050 -0.084 0.000 0.911 527 N CB -0.431 38.004 38.487 -0.087 0.000 0.964 527 N HN 1.731 nan 8.380 nan 0.000 0.447 528 G N -1.595 107.148 108.800 -0.095 0.000 2.192 528 G HA2 -0.213 3.748 3.960 0.000 0.000 0.193 528 G HA3 -0.213 3.748 3.960 0.000 0.000 0.193 528 G C -0.505 174.372 174.900 -0.038 0.000 0.999 528 G CA -0.173 44.920 45.100 -0.013 0.000 0.659 528 G HN 0.448 nan 8.290 nan 0.000 0.503 529 Q N -1.037 118.656 119.800 -0.179 0.000 2.306 529 Q HA 0.611 4.951 4.340 0.000 0.000 0.265 529 Q C -1.136 174.628 176.000 -0.392 0.000 1.022 529 Q CA -0.775 54.931 55.803 -0.162 0.000 0.853 529 Q CB 1.533 30.196 28.738 -0.125 0.000 1.327 529 Q HN 0.288 nan 8.270 nan 0.000 0.449 530 W N 0.911 122.129 121.300 -0.137 0.000 2.411 530 W HA 0.412 5.072 4.660 0.000 0.000 0.317 530 W C -0.560 175.869 176.519 -0.149 0.000 1.030 530 W CA -0.234 57.025 57.345 -0.144 0.000 1.239 530 W CB 1.808 31.108 29.460 -0.266 0.000 1.304 530 W HN 0.372 nan 8.180 nan 0.000 0.437 531 S N 2.982 118.699 115.700 0.028 0.000 2.513 531 S HA 0.507 4.978 4.470 0.000 0.000 0.299 531 S C -1.213 173.406 174.600 0.031 0.000 1.087 531 S CA -0.793 57.404 58.200 -0.005 0.000 1.012 531 S CB 1.613 64.789 63.200 -0.040 0.000 1.044 531 S HN 0.374 nan 8.310 nan 0.000 0.485 532 L N 4.462 125.696 121.223 0.018 0.000 2.312 532 L HA 0.341 4.681 4.340 0.000 0.000 0.287 532 L C 0.642 177.607 176.870 0.159 0.000 1.091 532 L CA 0.307 55.192 54.840 0.076 0.000 0.846 532 L CB 0.067 42.123 42.059 -0.005 0.000 1.219 532 L HN 0.619 nan 8.230 nan 0.000 0.439 533 V N 4.049 124.031 119.914 0.114 0.000 2.249 533 V HA 0.315 4.435 4.120 0.000 0.000 0.239 533 V C 1.126 177.181 176.094 -0.066 0.000 1.038 533 V CA 0.838 63.160 62.300 0.036 0.000 1.005 533 V CB -1.231 30.587 31.823 -0.008 0.000 0.646 533 V HN 1.048 nan 8.190 nan 0.000 0.455 534 G N -0.024 108.660 108.800 -0.193 0.000 3.399 534 G HA2 0.384 4.344 3.960 0.000 0.000 0.685 534 G HA3 0.384 4.344 3.960 0.000 0.000 0.685 534 G C -0.568 174.106 174.900 -0.377 0.000 0.952 534 G CA -0.104 44.554 45.100 -0.738 0.000 0.793 534 G HN 1.355 nan 8.290 nan 0.000 0.492 535 A N 2.007 124.709 122.820 -0.196 0.000 2.609 535 A HA 0.917 5.237 4.320 0.000 0.000 0.291 535 A C 0.025 177.630 177.584 0.035 0.000 1.096 535 A CA -0.356 51.677 52.037 -0.005 0.000 0.684 535 A CB 1.323 20.298 19.000 -0.041 0.000 1.282 535 A HN 1.649 nan 8.150 nan 0.000 0.412 536 K N 0.977 121.364 120.400 -0.022 0.000 2.491 536 K HA 0.390 4.711 4.320 0.000 0.000 0.279 536 K C 0.424 176.874 176.600 -0.250 0.000 1.026 536 K CA 1.020 57.082 56.287 -0.375 0.000 1.070 536 K CB 0.055 32.392 32.500 -0.272 0.000 0.887 536 K HN 1.076 nan 8.250 nan 0.000 0.481 537 A N 6.405 129.048 122.820 -0.294 0.000 2.386 537 A HA 0.360 4.681 4.320 0.000 0.000 0.248 537 A C -2.020 175.487 177.584 -0.128 0.000 1.082 537 A CA -1.073 50.868 52.037 -0.159 0.000 0.789 537 A CB -0.384 18.537 19.000 -0.131 0.000 1.025 537 A HN 0.759 nan 8.150 nan 0.000 0.490 538 P HA 0.298 nan 4.420 nan 0.000 0.280 538 P C -2.024 175.243 177.300 -0.056 0.000 1.244 538 P CA -0.729 62.334 63.100 -0.062 0.000 0.784 538 P CB -0.072 31.603 31.700 -0.042 0.000 0.913 539 P HA 0.000 nan 4.420 nan 0.000 0.216 539 P CA 0.000 63.074 63.100 -0.044 0.000 0.800 539 P CB 0.000 31.676 31.700 -0.040 0.000 0.726