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 1jgx_1_M DATA FIRST_RESID 1 DATA SEQUENCE AEYQNIFSQV QVRGPADLGM DEDVNLANRS GVGPFSTLLG WFGNAQLGPI DATA SEQUENCE YLGSLGVLSL FSGLMWFFTI GIWFWYQAGW NPAVFLRDLF FFSLEPPAPE DATA SEQUENCE YGLSFAAPLK EGGLWLIASF FMFVAVWSWW GRTYLRAQAL GMGKHTAWAF DATA SEQUENCE LSAIWLWMVL GFIRPILMGS WSEAVPYGIF SHLDWTNNFS LVHGNLFYNP DATA SEQUENCE FHGLSIAFLY GSALLFAMHG ATILAVSRFG GERELEQIAD RGTAAERAAL DATA SEQUENCE FWRWTMGFNA TMEGIHRWAI WMAVLVTLTG GIGILLSGTV VDNWYVWGQN DATA SEQUENCE HG VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.610 177.584 0.043 0.000 1.274 1 A CA 0.000 52.054 52.037 0.028 0.000 0.836 1 A CB 0.000 19.016 19.000 0.027 0.000 0.831 2 E N 0.229 120.452 120.200 0.037 0.000 2.374 2 E HA 0.472 4.822 4.350 0.000 0.000 0.260 2 E C -0.564 176.094 176.600 0.096 0.000 1.101 2 E CA -0.453 55.980 56.400 0.055 0.000 0.907 2 E CB 0.649 30.362 29.700 0.022 0.000 1.014 2 E HN 0.788 nan 8.360 nan 0.000 0.427 3 Y N 1.289 121.577 120.300 -0.019 0.000 2.346 3 Y HA 0.041 4.591 4.550 0.000 0.000 0.330 3 Y C 0.627 176.509 175.900 -0.030 0.000 1.178 3 Y CA -0.162 57.929 58.100 -0.015 0.000 1.331 3 Y CB 1.270 39.723 38.460 -0.011 0.000 1.253 3 Y HN 0.531 nan 8.280 nan 0.000 0.529 4 Q N 2.958 122.369 119.800 -0.647 0.000 2.392 4 Q HA 0.006 4.346 4.340 0.000 0.000 0.219 4 Q C 0.274 175.816 176.000 -0.763 0.000 0.895 4 Q CA 0.748 56.211 55.803 -0.566 0.000 0.929 4 Q CB -0.000 28.556 28.738 -0.303 0.000 1.077 4 Q HN 0.887 nan 8.270 nan 0.000 0.532 5 N N -0.277 117.610 118.700 -1.355 0.000 2.861 5 N HA -0.138 4.602 4.740 0.000 0.000 0.247 5 N C 0.145 175.433 175.510 -0.370 0.000 1.117 5 N CA 0.286 52.889 53.050 -0.744 0.000 0.703 5 N CB -1.015 37.211 38.487 -0.436 0.000 1.052 5 N HN 0.132 nan 8.380 nan 0.000 0.555 6 I N -1.302 119.052 120.570 -0.359 0.000 2.731 6 I HA 0.175 4.345 4.170 0.000 0.000 0.260 6 I C 0.645 176.455 176.117 -0.513 0.000 1.138 6 I CA 1.078 62.101 61.300 -0.462 0.000 1.461 6 I CB -0.547 37.120 38.000 -0.556 0.000 1.128 6 I HN 0.052 nan 8.210 nan 0.000 0.438 7 F N 0.057 120.103 119.950 0.160 0.000 2.577 7 F HA 0.435 4.962 4.527 0.000 0.000 0.318 7 F C 0.753 176.769 175.800 0.360 0.000 1.065 7 F CA -1.058 57.115 58.000 0.288 0.000 0.929 7 F CB 1.166 40.322 39.000 0.260 0.000 1.237 7 F HN -0.351 nan 8.300 nan 0.000 0.468 8 S N 0.884 116.947 115.700 0.605 0.000 2.580 8 S HA 0.156 4.627 4.470 0.000 0.000 0.274 8 S C 0.758 175.635 174.600 0.463 0.000 1.329 8 S CA -0.606 57.872 58.200 0.464 0.000 1.036 8 S CB 1.198 64.591 63.200 0.321 0.000 0.919 8 S HN 0.673 nan 8.310 nan 0.000 0.515 9 Q N 0.406 120.331 119.800 0.208 0.000 2.302 9 Q HA 0.150 4.491 4.340 0.000 0.000 0.202 9 Q C -0.355 175.762 176.000 0.195 0.000 0.936 9 Q CA 0.625 56.489 55.803 0.102 0.000 0.886 9 Q CB 0.236 28.862 28.738 -0.188 0.000 0.986 9 Q HN 0.402 nan 8.270 nan 0.000 0.487 10 V N 1.206 121.211 119.914 0.151 0.000 2.733 10 V HA 0.198 4.318 4.120 0.000 0.000 0.306 10 V C -0.887 175.219 176.094 0.020 0.000 1.084 10 V CA -0.859 61.499 62.300 0.096 0.000 0.905 10 V CB 2.069 33.910 31.823 0.030 0.000 1.010 10 V HN 0.096 nan 8.190 nan 0.000 0.424 11 Q N 2.236 121.990 119.800 -0.077 0.000 2.230 11 Q HA 0.744 5.085 4.340 0.000 0.000 0.253 11 Q C -1.239 174.704 176.000 -0.095 0.000 0.919 11 Q CA -0.579 55.127 55.803 -0.161 0.000 0.908 11 Q CB 2.740 31.257 28.738 -0.369 0.000 1.245 11 Q HN 0.523 nan 8.270 nan 0.000 0.437 12 V N 2.776 122.647 119.914 -0.071 0.000 2.577 12 V HA 0.450 4.571 4.120 0.000 0.000 0.303 12 V C -0.639 175.428 176.094 -0.045 0.000 1.042 12 V CA -0.627 61.642 62.300 -0.051 0.000 0.872 12 V CB 2.078 33.884 31.823 -0.029 0.000 0.998 12 V HN 0.654 nan 8.190 nan 0.000 0.423 13 R N 2.512 122.976 120.500 -0.061 0.000 2.711 13 R HA 0.838 5.178 4.340 0.000 0.000 0.284 13 R C -0.168 176.095 176.300 -0.063 0.000 0.968 13 R CA -0.163 55.898 56.100 -0.064 0.000 0.924 13 R CB 2.232 32.436 30.300 -0.160 0.000 1.162 13 R HN 0.875 nan 8.270 nan 0.000 0.465 14 G N 2.178 110.962 108.800 -0.028 0.000 2.949 14 G HA2 0.512 4.472 3.960 0.000 0.000 0.285 14 G HA3 0.512 4.472 3.960 0.000 0.000 0.285 14 G C -2.678 172.222 174.900 -0.001 0.000 1.395 14 G CA -1.208 43.880 45.100 -0.019 0.000 0.901 14 G HN 0.446 nan 8.290 nan 0.000 0.519 15 P HA 0.370 nan 4.420 nan 0.000 0.266 15 P C 0.233 177.612 177.300 0.132 0.000 1.193 15 P CA 0.079 63.202 63.100 0.039 0.000 0.770 15 P CB 0.574 32.287 31.700 0.022 0.000 0.836 16 A N 2.113 125.058 122.820 0.207 0.000 2.540 16 A HA 0.066 4.386 4.320 0.000 0.000 0.239 16 A C 0.374 178.019 177.584 0.102 0.000 1.061 16 A CA 0.217 52.409 52.037 0.259 0.000 0.758 16 A CB -0.272 18.864 19.000 0.227 0.000 0.991 16 A HN 0.525 nan 8.150 nan 0.000 0.502 17 D N 2.360 122.792 120.400 0.053 0.000 2.317 17 D HA 0.260 4.901 4.640 0.000 0.000 0.234 17 D C 0.828 177.123 176.300 -0.007 0.000 1.112 17 D CA -0.477 53.532 54.000 0.015 0.000 0.840 17 D CB 0.721 41.522 40.800 0.002 0.000 1.078 17 D HN 0.247 nan 8.370 nan 0.000 0.486 18 L N 3.023 124.244 121.223 -0.003 0.000 2.395 18 L HA 0.201 4.541 4.340 0.000 0.000 0.218 18 L C 1.404 178.265 176.870 -0.015 0.000 1.130 18 L CA 1.096 55.929 54.840 -0.011 0.000 0.826 18 L CB -1.805 40.250 42.059 -0.007 0.000 0.941 18 L HN 0.758 nan 8.230 nan 0.000 0.451 19 G N -0.215 108.576 108.800 -0.016 0.000 2.733 19 G HA2 -0.205 3.755 3.960 0.000 0.000 0.686 19 G HA3 -0.205 3.755 3.960 0.000 0.000 0.686 19 G C 0.004 174.893 174.900 -0.018 0.000 1.373 19 G CA -0.702 44.386 45.100 -0.020 0.000 0.838 19 G HN -0.043 nan 8.290 nan 0.000 0.588 20 M N 0.777 120.363 119.600 -0.024 0.000 2.233 20 M HA 0.088 4.569 4.480 0.000 0.000 0.307 20 M C 1.080 177.369 176.300 -0.019 0.000 1.026 20 M CA 0.717 56.003 55.300 -0.024 0.000 1.109 20 M CB -0.065 32.514 32.600 -0.034 0.000 1.463 20 M HN 0.713 nan 8.290 nan 0.000 0.436 21 D N -0.040 120.349 120.400 -0.017 0.000 2.597 21 D HA 0.024 4.664 4.640 0.000 0.000 0.261 21 D C 0.655 176.946 176.300 -0.014 0.000 1.023 21 D CA 0.256 54.250 54.000 -0.010 0.000 0.927 21 D CB 0.349 41.145 40.800 -0.008 0.000 1.168 21 D HN 0.445 nan 8.370 nan 0.000 0.491 22 E N 0.966 121.152 120.200 -0.022 0.000 3.556 22 E HA -0.222 4.128 4.350 0.000 0.000 0.346 22 E C 0.365 176.953 176.600 -0.020 0.000 1.552 22 E CA 1.411 57.794 56.400 -0.028 0.000 1.969 22 E CB -0.867 28.807 29.700 -0.043 0.000 1.833 22 E HN 0.258 nan 8.360 nan 0.000 0.447 23 D N 0.824 121.208 120.400 -0.026 0.000 2.340 23 D HA 0.097 4.737 4.640 0.000 0.000 0.220 23 D C 0.345 176.644 176.300 -0.001 0.000 1.039 23 D CA 0.128 54.118 54.000 -0.017 0.000 0.866 23 D CB 0.106 40.891 40.800 -0.025 0.000 0.913 23 D HN -0.024 nan 8.370 nan 0.000 0.523 24 V N 2.305 122.221 119.914 0.004 0.000 2.720 24 V HA -0.147 3.973 4.120 0.000 0.000 0.307 24 V C 0.821 176.971 176.094 0.095 0.000 1.071 24 V CA -0.054 62.283 62.300 0.061 0.000 1.199 24 V CB 0.137 32.006 31.823 0.077 0.000 0.900 24 V HN 0.145 nan 8.190 nan 0.000 0.494 25 N N 4.832 123.633 118.700 0.168 0.000 2.415 25 N HA 0.182 4.922 4.740 0.000 0.000 0.250 25 N C 0.726 176.246 175.510 0.017 0.000 1.127 25 N CA -0.133 52.967 53.050 0.084 0.000 0.945 25 N CB 0.402 38.939 38.487 0.084 0.000 1.196 25 N HN 0.608 nan 8.380 nan 0.000 0.499 26 L N 2.274 123.489 121.223 -0.013 0.000 2.349 26 L HA -0.138 4.203 4.340 0.000 0.000 0.220 26 L C 2.166 178.965 176.870 -0.118 0.000 1.130 26 L CA 1.003 55.809 54.840 -0.056 0.000 0.791 26 L CB -0.619 41.420 42.059 -0.033 0.000 0.918 26 L HN 0.621 nan 8.230 nan 0.000 0.444 27 A N 0.405 123.154 122.820 -0.117 0.000 1.972 27 A HA -0.165 4.155 4.320 0.000 0.000 0.219 27 A C 1.980 179.435 177.584 -0.215 0.000 1.169 27 A CA 1.567 53.527 52.037 -0.129 0.000 0.635 27 A CB -0.366 18.580 19.000 -0.090 0.000 0.810 27 A HN 0.438 nan 8.150 nan 0.000 0.446 28 N N -0.337 118.132 118.700 -0.384 0.000 2.412 28 N HA 0.029 4.769 4.740 0.000 0.000 0.184 28 N C 0.401 175.505 175.510 -0.676 0.000 1.101 28 N CA 0.186 52.866 53.050 -0.616 0.000 0.881 28 N CB 0.015 37.896 38.487 -1.010 0.000 0.969 28 N HN 0.477 nan 8.380 nan 0.000 0.459 29 R N 0.684 120.892 120.500 -0.487 0.000 2.582 29 R HA 0.180 4.521 4.340 0.000 0.000 0.271 29 R C 0.993 177.194 176.300 -0.165 0.000 1.078 29 R CA -0.116 55.821 56.100 -0.272 0.000 1.127 29 R CB 0.838 31.058 30.300 -0.132 0.000 1.038 29 R HN 0.118 nan 8.270 nan 0.000 0.500 30 S N 0.277 115.916 115.700 -0.102 0.000 2.566 30 S HA 0.512 4.983 4.470 0.000 0.000 0.277 30 S C 0.445 175.015 174.600 -0.050 0.000 1.150 30 S CA -0.679 57.480 58.200 -0.069 0.000 1.032 30 S CB 1.036 64.209 63.200 -0.046 0.000 1.157 30 S HN 0.623 nan 8.310 nan 0.000 0.507 31 G N -0.390 108.389 108.800 -0.035 0.000 2.451 31 G HA2 0.523 4.483 3.960 0.000 0.000 0.303 31 G HA3 0.523 4.483 3.960 0.000 0.000 0.303 31 G C -0.566 174.320 174.900 -0.023 0.000 1.166 31 G CA -0.832 44.254 45.100 -0.024 0.000 0.884 31 G HN 0.724 nan 8.290 nan 0.000 0.514 32 V N 0.988 120.892 119.914 -0.015 0.000 2.655 32 V HA 0.380 4.500 4.120 0.000 0.000 0.300 32 V C 1.443 177.525 176.094 -0.021 0.000 1.044 32 V CA 0.587 62.869 62.300 -0.030 0.000 1.095 32 V CB 0.749 32.568 31.823 -0.007 0.000 0.952 32 V HN 0.929 nan 8.190 nan 0.000 0.485 33 G N 5.304 114.069 108.800 -0.059 0.000 2.510 33 G HA2 0.530 4.490 3.960 0.000 0.000 0.280 33 G HA3 0.530 4.490 3.960 0.000 0.000 0.280 33 G C -2.078 172.812 174.900 -0.016 0.000 1.386 33 G CA -0.778 44.301 45.100 -0.035 0.000 1.047 33 G HN 0.628 nan 8.290 nan 0.000 0.527 34 P HA 0.273 nan 4.420 nan 0.000 0.317 34 P C -1.188 176.181 177.300 0.115 0.000 1.316 34 P CA -0.041 63.147 63.100 0.148 0.000 0.744 34 P CB 0.518 32.281 31.700 0.104 0.000 1.521 35 F N -1.533 118.405 119.950 -0.020 0.000 2.612 35 F HA 0.253 4.781 4.527 0.000 0.000 0.332 35 F C 0.444 176.225 175.800 -0.033 0.000 1.167 35 F CA -0.563 57.419 58.000 -0.030 0.000 0.970 35 F CB 1.517 40.492 39.000 -0.042 0.000 1.234 35 F HN 0.017 nan 8.300 nan 0.000 0.453 36 S N 1.879 117.632 115.700 0.087 0.000 2.439 36 S HA 0.200 4.670 4.470 0.000 0.000 0.282 36 S C 1.051 175.666 174.600 0.025 0.000 1.170 36 S CA -0.267 57.967 58.200 0.056 0.000 1.054 36 S CB 0.678 63.899 63.200 0.035 0.000 0.956 36 S HN 0.715 nan 8.310 nan 0.000 0.490 37 T N 5.979 120.532 114.554 -0.002 0.000 2.951 37 T HA -0.059 4.292 4.350 0.000 0.000 0.268 37 T C 1.670 176.259 174.700 -0.185 0.000 1.073 37 T CA 0.734 62.750 62.100 -0.139 0.000 1.134 37 T CB -0.206 68.610 68.868 -0.088 0.000 0.884 37 T HN 0.546 nan 8.240 nan 0.000 0.479 38 L N 1.360 122.610 121.223 0.045 0.000 1.961 38 L HA 0.039 4.379 4.340 0.000 0.000 0.210 38 L C 2.162 179.144 176.870 0.188 0.000 1.072 38 L CA 1.702 56.665 54.840 0.205 0.000 0.749 38 L CB -0.798 41.348 42.059 0.146 0.000 0.889 38 L HN 0.206 nan 8.230 nan 0.000 0.432 39 L N -0.466 120.825 121.223 0.112 0.000 2.129 39 L HA -0.196 4.144 4.340 0.000 0.000 0.212 39 L C 2.439 179.387 176.870 0.130 0.000 1.087 39 L CA 1.201 56.126 54.840 0.141 0.000 0.757 39 L CB -1.357 40.752 42.059 0.084 0.000 0.896 39 L HN 0.552 nan 8.230 nan 0.000 0.434 40 G N -0.853 107.929 108.800 -0.031 0.000 2.479 40 G HA2 -0.264 3.696 3.960 0.000 0.000 0.220 40 G HA3 -0.264 3.696 3.960 0.000 0.000 0.220 40 G C 1.117 175.938 174.900 -0.132 0.000 1.115 40 G CA 0.339 45.349 45.100 -0.151 0.000 0.757 40 G HN 0.459 nan 8.290 nan 0.000 0.560 41 W N -1.400 120.013 121.300 0.188 0.000 2.518 41 W HA 0.289 4.949 4.660 0.000 0.000 0.273 41 W C 1.980 178.778 176.519 0.465 0.000 1.247 41 W CA -0.535 56.963 57.345 0.255 0.000 1.288 41 W CB -0.095 29.454 29.460 0.148 0.000 1.107 41 W HN 0.118 nan 8.180 nan 0.000 0.586 42 F N -0.451 119.757 119.950 0.429 0.000 2.298 42 F HA 0.389 4.916 4.527 0.000 0.000 0.282 42 F C 1.618 177.514 175.800 0.160 0.000 1.045 42 F CA 1.504 59.703 58.000 0.332 0.000 1.280 42 F CB -0.571 38.606 39.000 0.295 0.000 1.114 42 F HN -0.234 nan 8.300 nan 0.000 0.546 43 G N -0.996 107.925 108.800 0.200 0.000 3.195 43 G HA2 0.186 4.146 3.960 0.000 0.000 0.217 43 G HA3 0.186 4.146 3.960 0.000 0.000 0.217 43 G C -1.013 173.914 174.900 0.045 0.000 1.166 43 G CA -0.691 44.434 45.100 0.041 0.000 0.812 43 G HN -0.045 nan 8.290 nan 0.000 0.617 44 N N 0.121 118.831 118.700 0.017 0.000 2.381 44 N HA 0.358 5.098 4.740 0.000 0.000 0.241 44 N C 0.895 176.400 175.510 -0.007 0.000 1.279 44 N CA 0.619 53.666 53.050 -0.005 0.000 0.896 44 N CB 1.527 39.996 38.487 -0.029 0.000 1.118 44 N HN 0.565 nan 8.380 nan 0.000 0.438 45 A N 0.844 123.650 122.820 -0.024 0.000 2.259 45 A HA 0.040 4.360 4.320 0.000 0.000 0.213 45 A C 0.817 178.294 177.584 -0.178 0.000 1.209 45 A CA 0.029 52.052 52.037 -0.022 0.000 0.910 45 A CB -0.028 19.016 19.000 0.073 0.000 0.946 45 A HN 0.713 nan 8.150 nan 0.000 0.497 46 Q N 0.365 119.964 119.800 -0.335 0.000 2.364 46 Q HA 0.463 4.804 4.340 0.000 0.000 0.267 46 Q C -1.304 174.458 176.000 -0.396 0.000 0.999 46 Q CA 0.199 55.576 55.803 -0.709 0.000 0.886 46 Q CB 0.472 28.849 28.738 -0.601 0.000 1.243 46 Q HN 0.494 nan 8.270 nan 0.000 0.415 47 L N 2.920 123.899 121.223 -0.406 0.000 2.365 47 L HA 0.622 4.962 4.340 0.000 0.000 0.273 47 L C 0.404 177.165 176.870 -0.182 0.000 1.000 47 L CA -0.289 54.426 54.840 -0.209 0.000 0.819 47 L CB 1.847 43.822 42.059 -0.141 0.000 1.284 47 L HN 1.017 nan 8.230 nan 0.000 0.418 48 G N 3.156 111.888 108.800 -0.113 0.000 2.806 48 G HA2 -0.175 3.785 3.960 0.000 0.000 0.236 48 G HA3 -0.175 3.785 3.960 0.000 0.000 0.236 48 G C -2.839 172.006 174.900 -0.092 0.000 1.387 48 G CA -0.818 44.234 45.100 -0.081 0.000 0.884 48 G HN 0.458 nan 8.290 nan 0.000 0.560 49 P HA 0.553 nan 4.420 nan 0.000 0.276 49 P C -0.219 177.069 177.300 -0.020 0.000 1.252 49 P CA -0.479 62.598 63.100 -0.040 0.000 0.802 49 P CB 1.349 33.028 31.700 -0.036 0.000 1.035 50 I N 0.968 121.534 120.570 -0.007 0.000 2.562 50 I HA 0.344 4.514 4.170 0.000 0.000 0.301 50 I C -0.996 175.152 176.117 0.053 0.000 1.003 50 I CA -1.519 59.796 61.300 0.025 0.000 1.127 50 I CB 1.601 39.618 38.000 0.029 0.000 1.304 50 I HN 0.295 nan 8.210 nan 0.000 0.446 51 Y N 7.203 127.465 120.300 -0.064 0.000 2.341 51 Y HA 0.250 4.800 4.550 0.000 0.000 0.340 51 Y C -0.206 175.650 175.900 -0.073 0.000 0.997 51 Y CA -0.528 57.528 58.100 -0.072 0.000 1.149 51 Y CB 1.374 39.777 38.460 -0.096 0.000 1.171 51 Y HN 0.660 nan 8.280 nan 0.000 0.494 52 L N 5.123 126.389 121.223 0.071 0.000 2.255 52 L HA 0.537 4.877 4.340 0.000 0.000 0.196 52 L C 1.057 178.049 176.870 0.204 0.000 1.202 52 L CA 1.829 56.734 54.840 0.109 0.000 0.819 52 L CB -0.904 41.159 42.059 0.006 0.000 1.006 52 L HN 0.958 nan 8.230 nan 0.000 0.480 53 G N -1.548 107.287 108.800 0.058 0.000 2.846 53 G HA2 -0.263 3.698 3.960 0.000 0.000 0.660 53 G HA3 -0.263 3.698 3.960 0.000 0.000 0.660 53 G C 0.605 175.563 174.900 0.097 0.000 1.464 53 G CA 0.028 45.221 45.100 0.155 0.000 0.891 53 G HN 0.423 nan 8.290 nan 0.000 0.552 54 S N -0.354 115.393 115.700 0.079 0.000 2.378 54 S HA -0.194 4.276 4.470 0.000 0.000 0.221 54 S C 2.549 177.185 174.600 0.061 0.000 1.037 54 S CA 1.962 60.196 58.200 0.056 0.000 1.069 54 S CB -0.388 62.840 63.200 0.046 0.000 1.006 54 S HN 0.990 nan 8.310 nan 0.000 0.423 55 L N 1.951 123.201 121.223 0.046 0.000 2.079 55 L HA -0.053 4.287 4.340 0.000 0.000 0.210 55 L C 2.339 179.235 176.870 0.043 0.000 1.081 55 L CA 1.891 56.754 54.840 0.038 0.000 0.752 55 L CB -1.467 40.587 42.059 -0.009 0.000 0.896 55 L HN 0.382 nan 8.230 nan 0.000 0.433 56 G N -1.465 107.349 108.800 0.023 0.000 2.459 56 G HA2 -0.221 3.739 3.960 0.000 0.000 0.217 56 G HA3 -0.221 3.739 3.960 0.000 0.000 0.217 56 G C 1.576 176.548 174.900 0.121 0.000 1.183 56 G CA 1.122 46.243 45.100 0.036 0.000 0.776 56 G HN 0.311 nan 8.290 nan 0.000 0.552 57 V N 0.907 120.885 119.914 0.107 0.000 2.343 57 V HA -0.162 3.959 4.120 0.000 0.000 0.247 57 V C 2.697 178.894 176.094 0.172 0.000 1.051 57 V CA 1.664 64.038 62.300 0.123 0.000 1.036 57 V CB -0.625 31.246 31.823 0.079 0.000 0.654 57 V HN 0.350 nan 8.190 nan 0.000 0.451 58 L N 0.112 121.430 121.223 0.158 0.000 1.971 58 L HA -0.204 4.136 4.340 0.000 0.000 0.215 58 L C 2.571 179.580 176.870 0.231 0.000 1.072 58 L CA 2.499 57.461 54.840 0.204 0.000 0.758 58 L CB -0.812 41.346 42.059 0.164 0.000 0.889 58 L HN 0.268 nan 8.230 nan 0.000 0.433 59 S N -0.760 115.060 115.700 0.200 0.000 2.365 59 S HA -0.238 4.232 4.470 0.000 0.000 0.221 59 S C 1.886 176.579 174.600 0.156 0.000 1.037 59 S CA 1.823 60.145 58.200 0.204 0.000 1.060 59 S CB -0.675 62.730 63.200 0.341 0.000 0.974 59 S HN 0.440 nan 8.310 nan 0.000 0.427 60 L N 0.533 121.867 121.223 0.185 0.000 2.021 60 L HA -0.164 4.177 4.340 0.000 0.000 0.215 60 L C 2.037 178.961 176.870 0.090 0.000 1.074 60 L CA 1.907 56.816 54.840 0.115 0.000 0.760 60 L CB -0.621 41.521 42.059 0.139 0.000 0.889 60 L HN 0.412 nan 8.230 nan 0.000 0.433 61 F N -1.042 118.927 119.950 0.033 0.000 2.084 61 F HA -0.188 4.340 4.527 0.000 0.000 0.296 61 F C 2.821 178.607 175.800 -0.024 0.000 1.111 61 F CA 1.703 59.714 58.000 0.018 0.000 1.224 61 F CB -0.933 38.093 39.000 0.042 0.000 0.991 61 F HN 0.132 nan 8.300 nan 0.000 0.471 62 S N 0.143 115.761 115.700 -0.137 0.000 2.368 62 S HA -0.212 4.258 4.470 0.000 0.000 0.226 62 S C 2.400 176.842 174.600 -0.264 0.000 1.044 62 S CA 1.926 60.001 58.200 -0.209 0.000 1.062 62 S CB -1.434 61.812 63.200 0.076 0.000 0.931 62 S HN 0.631 nan 8.310 nan 0.000 0.440 63 G N 1.123 109.838 108.800 -0.141 0.000 2.442 63 G HA2 -0.106 3.854 3.960 0.000 0.000 0.219 63 G HA3 -0.106 3.854 3.960 0.000 0.000 0.219 63 G C 1.440 176.265 174.900 -0.126 0.000 1.141 63 G CA 0.892 45.932 45.100 -0.099 0.000 0.763 63 G HN 0.535 nan 8.290 nan 0.000 0.554 64 L N -0.133 120.918 121.223 -0.287 0.000 2.217 64 L HA 0.008 4.348 4.340 0.000 0.000 0.211 64 L C 2.974 179.554 176.870 -0.484 0.000 1.107 64 L CA 0.332 54.892 54.840 -0.466 0.000 0.783 64 L CB -0.297 41.544 42.059 -0.364 0.000 0.919 64 L HN 0.158 nan 8.230 nan 0.000 0.442 65 M N -1.143 118.137 119.600 -0.532 0.000 2.117 65 M HA -0.231 4.249 4.480 0.000 0.000 0.262 65 M C 2.075 178.154 176.300 -0.368 0.000 1.065 65 M CA 1.705 56.598 55.300 -0.679 0.000 1.114 65 M CB -1.156 30.408 32.600 -1.728 0.000 1.361 65 M HN 0.431 nan 8.290 nan 0.000 0.408 66 W N 0.487 121.560 121.300 -0.378 0.000 2.353 66 W HA -0.258 4.402 4.660 0.000 0.000 0.319 66 W C 2.232 178.627 176.519 -0.207 0.000 1.207 66 W CA 1.439 58.679 57.345 -0.176 0.000 1.291 66 W CB -1.083 28.285 29.460 -0.153 0.000 1.159 66 W HN 0.172 nan 8.180 nan 0.000 0.478 67 F N 0.109 119.711 119.950 -0.580 0.000 2.161 67 F HA -0.216 4.311 4.527 0.000 0.000 0.300 67 F C 2.013 177.462 175.800 -0.585 0.000 1.089 67 F CA 2.067 59.561 58.000 -0.843 0.000 1.282 67 F CB -0.791 37.808 39.000 -0.668 0.000 1.010 67 F HN -0.143 nan 8.300 nan 0.000 0.485 68 F N 0.144 119.987 119.950 -0.178 0.000 2.128 68 F HA -0.113 4.414 4.527 0.000 0.000 0.295 68 F C 2.569 178.241 175.800 -0.214 0.000 1.100 68 F CA 1.564 59.463 58.000 -0.167 0.000 1.260 68 F CB -1.572 37.377 39.000 -0.085 0.000 1.009 68 F HN -0.170 nan 8.300 nan 0.000 0.476 69 T N 1.319 115.864 114.554 -0.015 0.000 2.597 69 T HA -0.256 4.094 4.350 0.000 0.000 0.267 69 T C 2.225 176.835 174.700 -0.150 0.000 1.053 69 T CA 2.040 64.122 62.100 -0.030 0.000 1.165 69 T CB -0.728 68.148 68.868 0.013 0.000 0.863 69 T HN 0.133 nan 8.240 nan 0.000 0.427 70 I N 1.184 121.503 120.570 -0.419 0.000 2.091 70 I HA -0.208 3.962 4.170 0.000 0.000 0.239 70 I C 2.969 178.775 176.117 -0.519 0.000 1.061 70 I CA 1.654 62.625 61.300 -0.550 0.000 1.317 70 I CB -0.945 36.465 38.000 -0.984 0.000 1.031 70 I HN 0.377 nan 8.210 nan 0.000 0.401 71 G N 1.021 109.471 108.800 -0.583 0.000 2.475 71 G HA2 -0.228 3.733 3.960 0.000 0.000 0.220 71 G HA3 -0.228 3.733 3.960 0.000 0.000 0.220 71 G C 1.591 176.584 174.900 0.155 0.000 1.125 71 G CA 0.513 45.440 45.100 -0.289 0.000 0.755 71 G HN 0.206 nan 8.290 nan 0.000 0.565 72 I N -0.145 120.514 120.570 0.148 0.000 2.113 72 I HA -0.142 4.028 4.170 0.000 0.000 0.238 72 I C 2.447 178.683 176.117 0.198 0.000 1.070 72 I CA 0.887 62.331 61.300 0.240 0.000 1.332 72 I CB -1.213 36.892 38.000 0.175 0.000 1.044 72 I HN 0.464 nan 8.210 nan 0.000 0.402 73 W N 1.448 122.698 121.300 -0.084 0.000 2.304 73 W HA -0.335 4.326 4.660 0.000 0.000 0.315 73 W C 2.473 179.034 176.519 0.069 0.000 1.233 73 W CA 1.537 58.809 57.345 -0.121 0.000 1.261 73 W CB -0.524 28.925 29.460 -0.018 0.000 1.150 73 W HN 0.040 nan 8.180 nan 0.000 0.494 74 F N -0.533 119.331 119.950 -0.145 0.000 2.126 74 F HA -0.183 4.344 4.527 0.000 0.000 0.299 74 F C 2.100 177.446 175.800 -0.756 0.000 1.096 74 F CA 1.387 59.071 58.000 -0.527 0.000 1.255 74 F CB -1.732 37.078 39.000 -0.317 0.000 0.997 74 F HN -0.075 nan 8.300 nan 0.000 0.479 75 W N -1.535 119.649 121.300 -0.193 0.000 2.392 75 W HA -0.183 4.477 4.660 0.000 0.000 0.279 75 W C 2.474 178.365 176.519 -1.045 0.000 1.225 75 W CA 1.182 58.205 57.345 -0.538 0.000 1.233 75 W CB -0.950 28.180 29.460 -0.549 0.000 1.122 75 W HN 0.048 nan 8.180 nan 0.000 0.561 76 Y N 0.667 120.441 120.300 -0.876 0.000 2.036 76 Y HA -0.393 4.158 4.550 0.000 0.000 0.273 76 Y C 2.733 178.155 175.900 -0.797 0.000 1.135 76 Y CA 1.649 59.205 58.100 -0.908 0.000 1.106 76 Y CB -0.699 37.308 38.460 -0.755 0.000 0.976 76 Y HN -0.089 nan 8.280 nan 0.000 0.483 77 Q N -0.337 119.079 119.800 -0.641 0.000 2.133 77 Q HA -0.265 4.075 4.340 0.000 0.000 0.208 77 Q C 2.248 177.974 176.000 -0.456 0.000 0.991 77 Q CA 1.424 56.899 55.803 -0.546 0.000 0.867 77 Q CB -0.477 27.912 28.738 -0.583 0.000 0.911 77 Q HN 0.520 nan 8.270 nan 0.000 0.417 78 A N 0.526 122.921 122.820 -0.709 0.000 2.239 78 A HA 0.201 4.521 4.320 0.000 0.000 0.209 78 A C 1.556 179.043 177.584 -0.160 0.000 1.171 78 A CA 0.774 52.599 52.037 -0.352 0.000 0.768 78 A CB -0.678 18.100 19.000 -0.370 0.000 0.790 78 A HN 0.518 nan 8.150 nan 0.000 0.478 79 G N -2.673 105.949 108.800 -0.298 0.000 2.258 79 G HA2 -0.339 3.621 3.960 0.000 0.000 0.274 79 G HA3 -0.339 3.621 3.960 0.000 0.000 0.274 79 G C 0.424 175.355 174.900 0.051 0.000 1.021 79 G CA 0.545 45.548 45.100 -0.161 0.000 0.798 79 G HN 1.138 nan 8.290 nan 0.000 0.507 80 W N -2.406 119.021 121.300 0.212 0.000 2.076 80 W HA -0.240 4.421 4.660 0.000 0.000 0.252 80 W C 0.913 177.637 176.519 0.341 0.000 1.003 80 W CA 0.511 58.045 57.345 0.314 0.000 0.468 80 W CB -1.725 27.775 29.460 0.067 0.000 2.014 80 W HN 0.632 nan 8.180 nan 0.000 1.377 81 N N 2.053 120.970 118.700 0.362 0.000 2.406 81 N HA 0.074 4.814 4.740 0.000 0.000 0.265 81 N C -1.131 174.575 175.510 0.326 0.000 1.203 81 N CA -0.806 52.413 53.050 0.281 0.000 0.945 81 N CB 1.054 39.642 38.487 0.169 0.000 1.165 81 N HN -0.116 nan 8.380 nan 0.000 0.485 82 P HA -0.164 nan 4.420 nan 0.000 0.214 82 P C 0.915 178.359 177.300 0.240 0.000 1.163 82 P CA 1.858 65.192 63.100 0.390 0.000 0.889 82 P CB 0.151 32.055 31.700 0.341 0.000 0.790 83 A N -0.815 122.110 122.820 0.176 0.000 1.908 83 A HA -0.199 4.122 4.320 0.000 0.000 0.218 83 A C 2.375 180.018 177.584 0.098 0.000 1.181 83 A CA 2.044 54.152 52.037 0.118 0.000 0.627 83 A CB -1.780 17.273 19.000 0.088 0.000 0.818 83 A HN 0.038 nan 8.150 nan 0.000 0.445 84 V N -1.277 118.705 119.914 0.114 0.000 2.237 84 V HA -0.257 3.864 4.120 0.000 0.000 0.245 84 V C 2.215 178.399 176.094 0.150 0.000 1.046 84 V CA 2.227 64.588 62.300 0.101 0.000 1.007 84 V CB -0.988 30.903 31.823 0.114 0.000 0.638 84 V HN 0.626 nan 8.190 nan 0.000 0.445 85 F N -0.065 119.865 119.950 -0.035 0.000 2.045 85 F HA -0.291 4.237 4.527 0.000 0.000 0.297 85 F C 2.248 178.026 175.800 -0.038 0.000 1.114 85 F CA 1.963 59.873 58.000 -0.150 0.000 1.207 85 F CB -0.391 38.116 39.000 -0.821 0.000 0.964 85 F HN -0.002 nan 8.300 nan 0.000 0.486 86 L N 0.325 121.593 121.223 0.075 0.000 2.012 86 L HA -0.240 4.101 4.340 0.000 0.000 0.210 86 L C 2.616 179.382 176.870 -0.174 0.000 1.073 86 L CA 2.067 56.881 54.840 -0.044 0.000 0.748 86 L CB -1.274 40.823 42.059 0.062 0.000 0.891 86 L HN 0.275 nan 8.230 nan 0.000 0.431 87 R N 0.150 120.586 120.500 -0.106 0.000 2.088 87 R HA -0.162 4.179 4.340 0.000 0.000 0.232 87 R C 0.748 176.909 176.300 -0.231 0.000 1.136 87 R CA 1.867 57.891 56.100 -0.127 0.000 0.926 87 R CB -0.073 30.177 30.300 -0.084 0.000 0.837 87 R HN 0.318 nan 8.270 nan 0.000 0.429 88 D N 1.261 121.437 120.400 -0.374 0.000 2.519 88 D HA -0.022 4.618 4.640 0.000 0.000 0.238 88 D C 1.195 176.810 176.300 -1.143 0.000 1.192 88 D CA -0.006 53.603 54.000 -0.651 0.000 0.835 88 D CB 0.479 40.728 40.800 -0.918 0.000 0.975 88 D HN 0.171 nan 8.370 nan 0.000 0.490 89 L N -0.196 120.538 121.223 -0.816 0.000 2.046 89 L HA -0.135 4.205 4.340 0.000 0.000 0.208 89 L C 1.483 177.915 176.870 -0.730 0.000 1.077 89 L CA 1.686 56.023 54.840 -0.838 0.000 0.747 89 L CB -0.423 41.121 42.059 -0.858 0.000 0.896 89 L HN -0.055 nan 8.230 nan 0.000 0.432 90 F N -1.831 117.803 119.950 -0.527 0.000 2.604 90 F HA -0.022 4.505 4.527 0.000 0.000 0.298 90 F C 1.784 177.103 175.800 -0.801 0.000 1.131 90 F CA 0.496 57.987 58.000 -0.847 0.000 1.457 90 F CB -0.875 37.159 39.000 -1.611 0.000 1.095 90 F HN 0.024 nan 8.300 nan 0.000 0.574 91 F N -1.444 118.259 119.950 -0.411 0.000 2.262 91 F HA 0.122 4.649 4.527 0.000 0.000 0.292 91 F C 1.101 176.673 175.800 -0.380 0.000 1.081 91 F CA -0.484 57.339 58.000 -0.295 0.000 1.355 91 F CB -0.960 37.843 39.000 -0.329 0.000 1.069 91 F HN -0.322 nan 8.300 nan 0.000 0.506 92 F N 0.742 120.505 119.950 -0.312 0.000 2.668 92 F HA 0.235 4.762 4.527 0.000 0.000 0.338 92 F C 0.817 176.294 175.800 -0.537 0.000 1.194 92 F CA -0.095 57.503 58.000 -0.669 0.000 1.385 92 F CB -0.327 37.748 39.000 -1.541 0.000 1.088 92 F HN -0.194 nan 8.300 nan 0.000 0.624 93 S N 0.502 116.189 115.700 -0.020 0.000 2.578 93 S HA 0.472 4.942 4.470 0.000 0.000 0.285 93 S C -2.010 172.953 174.600 0.605 0.000 1.126 93 S CA -0.856 57.548 58.200 0.342 0.000 0.878 93 S CB 0.783 64.147 63.200 0.273 0.000 1.091 93 S HN 0.629 nan 8.310 nan 0.000 0.450 94 L N 4.469 126.030 121.223 0.564 0.000 2.335 94 L HA 0.586 4.926 4.340 0.000 0.000 0.268 94 L C -0.195 176.857 176.870 0.303 0.000 1.037 94 L CA -0.043 54.948 54.840 0.252 0.000 0.895 94 L CB 0.727 42.894 42.059 0.180 0.000 1.266 94 L HN 0.633 nan 8.230 nan 0.000 0.439 95 E N 5.403 125.693 120.200 0.150 0.000 2.373 95 E HA 0.329 4.680 4.350 0.000 0.000 0.263 95 E C -2.349 174.109 176.600 -0.237 0.000 1.073 95 E CA -1.663 54.744 56.400 0.012 0.000 0.894 95 E CB 0.169 29.891 29.700 0.037 0.000 1.008 95 E HN 0.414 nan 8.360 nan 0.000 0.420 96 P HA 0.168 nan 4.420 nan 0.000 0.286 96 P C -2.411 174.610 177.300 -0.465 0.000 1.293 96 P CA -1.148 61.210 63.100 -1.236 0.000 0.770 96 P CB -0.587 30.066 31.700 -1.744 0.000 1.206 97 P HA 0.074 nan 4.420 nan 0.000 0.272 97 P C -0.274 177.045 177.300 0.031 0.000 1.240 97 P CA 0.038 63.079 63.100 -0.098 0.000 0.791 97 P CB 0.208 31.874 31.700 -0.058 0.000 0.978 98 A N 2.514 125.466 122.820 0.220 0.000 2.386 98 A HA 0.258 4.579 4.320 0.000 0.000 0.246 98 A C -1.275 176.389 177.584 0.134 0.000 1.089 98 A CA -0.995 51.148 52.037 0.177 0.000 0.790 98 A CB -1.314 17.812 19.000 0.211 0.000 1.042 98 A HN 0.376 nan 8.150 nan 0.000 0.497 99 P HA -0.174 nan 4.420 nan 0.000 0.216 99 P C 0.873 178.143 177.300 -0.050 0.000 1.150 99 P CA 1.585 64.676 63.100 -0.015 0.000 0.843 99 P CB 0.135 31.816 31.700 -0.033 0.000 0.787 100 E N -0.764 119.363 120.200 -0.121 0.000 2.045 100 E HA -0.236 4.114 4.350 0.000 0.000 0.212 100 E C 1.784 178.229 176.600 -0.258 0.000 1.039 100 E CA 1.723 57.956 56.400 -0.279 0.000 0.860 100 E CB -1.688 27.680 29.700 -0.554 0.000 0.776 100 E HN 0.455 nan 8.360 nan 0.000 0.467 101 Y N 0.531 120.831 120.300 0.000 0.000 2.716 101 Y HA -0.006 4.544 4.550 0.000 0.000 0.302 101 Y C 1.854 177.747 175.900 -0.012 0.000 1.160 101 Y CA 0.483 58.593 58.100 0.017 0.000 1.362 101 Y CB -0.994 37.495 38.460 0.050 0.000 0.988 101 Y HN 0.196 nan 8.280 nan 0.000 0.546 102 G N 1.116 109.942 108.800 0.042 0.000 2.684 102 G HA2 -0.372 3.588 3.960 0.000 0.000 0.332 102 G HA3 -0.372 3.588 3.960 0.000 0.000 0.332 102 G C 0.641 175.415 174.900 -0.211 0.000 1.306 102 G CA 0.864 45.912 45.100 -0.086 0.000 1.002 102 G HN 0.359 nan 8.290 nan 0.000 0.545 103 L N 2.001 123.037 121.223 -0.311 0.000 2.728 103 L HA 0.358 4.699 4.340 0.000 0.000 0.235 103 L C 1.471 178.334 176.870 -0.011 0.000 1.197 103 L CA 0.435 54.918 54.840 -0.595 0.000 0.992 103 L CB -0.216 41.472 42.059 -0.618 0.000 1.263 103 L HN 0.605 nan 8.230 nan 0.000 0.484 104 S N -1.672 114.125 115.700 0.163 0.000 2.646 104 S HA 0.350 4.820 4.470 0.000 0.000 0.276 104 S C 0.321 175.113 174.600 0.319 0.000 1.222 104 S CA -0.532 57.870 58.200 0.337 0.000 1.014 104 S CB 0.987 64.352 63.200 0.275 0.000 0.991 104 S HN 0.115 nan 8.310 nan 0.000 0.533 105 F N 0.678 120.753 119.950 0.208 0.000 2.765 105 F HA 0.369 4.896 4.527 0.000 0.000 0.302 105 F C 2.312 178.143 175.800 0.052 0.000 1.111 105 F CA -0.154 57.912 58.000 0.111 0.000 1.359 105 F CB -1.084 37.946 39.000 0.051 0.000 1.097 105 F HN 0.787 nan 8.300 nan 0.000 0.577 106 A N 1.027 124.002 122.820 0.259 0.000 1.873 106 A HA 0.014 4.334 4.320 0.000 0.000 0.218 106 A C 1.863 179.470 177.584 0.038 0.000 1.193 106 A CA 0.998 53.139 52.037 0.172 0.000 0.629 106 A CB -1.297 17.843 19.000 0.233 0.000 0.826 106 A HN 0.249 nan 8.150 nan 0.000 0.447 107 A N 0.885 123.602 122.820 -0.172 0.000 2.622 107 A HA 0.301 4.621 4.320 0.000 0.000 0.235 107 A C -1.536 175.861 177.584 -0.312 0.000 1.013 107 A CA 0.108 51.706 52.037 -0.732 0.000 0.765 107 A CB -0.617 17.705 19.000 -1.130 0.000 0.921 107 A HN 0.488 nan 8.150 nan 0.000 0.506 108 P HA 0.139 nan 4.420 nan 0.000 0.274 108 P C 1.127 178.392 177.300 -0.059 0.000 1.246 108 P CA -0.492 62.570 63.100 -0.065 0.000 0.795 108 P CB 0.516 32.224 31.700 0.014 0.000 1.006 109 L N 0.787 122.015 121.223 0.009 0.000 1.951 109 L HA -0.203 4.137 4.340 0.000 0.000 0.222 109 L C 2.056 178.913 176.870 -0.022 0.000 1.078 109 L CA 2.120 56.964 54.840 0.007 0.000 0.778 109 L CB -1.184 40.926 42.059 0.085 0.000 0.893 109 L HN 0.452 nan 8.230 nan 0.000 0.436 110 K N 0.481 120.952 120.400 0.118 0.000 2.687 110 K HA -0.063 4.257 4.320 0.000 0.000 0.197 110 K C -0.059 176.605 176.600 0.107 0.000 1.018 110 K CA 0.510 56.932 56.287 0.226 0.000 1.035 110 K CB -0.082 32.650 32.500 0.387 0.000 0.834 110 K HN 0.429 nan 8.250 nan 0.000 0.496 111 E N -0.291 119.892 120.200 -0.029 0.000 4.230 111 E HA 0.101 4.451 4.350 0.000 0.000 0.218 111 E C 0.205 176.706 176.600 -0.166 0.000 1.140 111 E CA -0.071 56.295 56.400 -0.056 0.000 1.405 111 E CB 1.196 30.875 29.700 -0.034 0.000 1.193 111 E HN 0.342 nan 8.360 nan 0.000 0.423 112 G N 0.566 109.276 108.800 -0.149 0.000 2.217 112 G HA2 -0.355 3.606 3.960 0.000 0.000 0.246 112 G HA3 -0.355 3.606 3.960 0.000 0.000 0.246 112 G C 1.044 175.927 174.900 -0.029 0.000 0.990 112 G CA 0.255 45.299 45.100 -0.093 0.000 0.627 112 G HN 0.521 nan 8.290 nan 0.000 0.522 113 G N 0.408 109.149 108.800 -0.098 0.000 2.421 113 G HA2 0.090 4.050 3.960 0.000 0.000 0.216 113 G HA3 0.090 4.050 3.960 0.000 0.000 0.216 113 G C 1.715 176.597 174.900 -0.029 0.000 1.171 113 G CA 1.606 46.672 45.100 -0.058 0.000 0.775 113 G HN 0.826 nan 8.290 nan 0.000 0.543 114 L N -0.512 120.663 121.223 -0.080 0.000 2.083 114 L HA 0.075 4.415 4.340 0.000 0.000 0.209 114 L C 2.387 179.228 176.870 -0.048 0.000 1.083 114 L CA 1.414 56.193 54.840 -0.102 0.000 0.752 114 L CB -0.645 41.258 42.059 -0.261 0.000 0.899 114 L HN 0.501 nan 8.230 nan 0.000 0.433 115 W N -0.325 120.866 121.300 -0.182 0.000 2.358 115 W HA -0.221 4.439 4.660 0.000 0.000 0.303 115 W C 2.203 178.726 176.519 0.007 0.000 1.208 115 W CA 1.767 59.096 57.345 -0.028 0.000 1.274 115 W CB -0.191 29.231 29.460 -0.063 0.000 1.138 115 W HN 0.102 nan 8.180 nan 0.000 0.515 116 L N 0.176 121.495 121.223 0.158 0.000 2.042 116 L HA -0.263 4.077 4.340 0.000 0.000 0.210 116 L C 2.466 179.245 176.870 -0.152 0.000 1.076 116 L CA 1.560 56.358 54.840 -0.069 0.000 0.749 116 L CB -0.823 41.196 42.059 -0.067 0.000 0.893 116 L HN 0.048 nan 8.230 nan 0.000 0.432 117 I N -0.479 120.036 120.570 -0.093 0.000 2.113 117 I HA -0.318 3.852 4.170 0.000 0.000 0.238 117 I C 2.826 178.908 176.117 -0.059 0.000 1.070 117 I CA 1.225 62.459 61.300 -0.111 0.000 1.332 117 I CB -0.525 37.445 38.000 -0.049 0.000 1.044 117 I HN 0.221 nan 8.210 nan 0.000 0.402 118 A N 0.384 123.196 122.820 -0.014 0.000 1.884 118 A HA -0.292 4.028 4.320 0.000 0.000 0.219 118 A C 2.475 180.120 177.584 0.102 0.000 1.197 118 A CA 2.724 54.804 52.037 0.073 0.000 0.637 118 A CB -1.089 17.759 19.000 -0.254 0.000 0.827 118 A HN 0.439 nan 8.150 nan 0.000 0.450 119 S N -1.159 114.421 115.700 -0.200 0.000 2.365 119 S HA -0.200 4.270 4.470 0.000 0.000 0.225 119 S C 1.669 176.245 174.600 -0.041 0.000 1.039 119 S CA 1.643 59.716 58.200 -0.212 0.000 1.033 119 S CB -0.633 62.159 63.200 -0.680 0.000 0.887 119 S HN 0.648 nan 8.310 nan 0.000 0.447 120 F N 1.832 121.677 119.950 -0.176 0.000 2.091 120 F HA -0.194 4.333 4.527 0.000 0.000 0.299 120 F C 1.770 177.595 175.800 0.042 0.000 1.103 120 F CA 1.380 59.307 58.000 -0.121 0.000 1.228 120 F CB -0.550 38.291 39.000 -0.266 0.000 0.984 120 F HN 0.110 nan 8.300 nan 0.000 0.477 121 F N 0.021 119.949 119.950 -0.037 0.000 2.102 121 F HA -0.227 4.300 4.527 0.000 0.000 0.298 121 F C 2.714 178.417 175.800 -0.162 0.000 1.105 121 F CA 1.759 59.697 58.000 -0.103 0.000 1.239 121 F CB -1.133 37.913 39.000 0.077 0.000 0.991 121 F HN 0.049 nan 8.300 nan 0.000 0.474 122 M N -1.410 118.188 119.600 -0.003 0.000 2.159 122 M HA -0.248 4.232 4.480 0.000 0.000 0.263 122 M C 2.294 178.535 176.300 -0.098 0.000 1.063 122 M CA 1.604 56.687 55.300 -0.363 0.000 1.110 122 M CB -0.445 31.625 32.600 -0.883 0.000 1.374 122 M HN 0.196 nan 8.290 nan 0.000 0.411 123 F N 0.112 120.020 119.950 -0.069 0.000 2.161 123 F HA -0.212 4.315 4.527 0.000 0.000 0.300 123 F C 1.756 177.601 175.800 0.074 0.000 1.089 123 F CA 1.555 59.624 58.000 0.116 0.000 1.282 123 F CB -0.283 38.714 39.000 -0.005 0.000 1.010 123 F HN -0.114 nan 8.300 nan 0.000 0.485 124 V N 0.247 120.209 119.914 0.080 0.000 2.283 124 V HA -0.230 3.890 4.120 0.000 0.000 0.243 124 V C 2.751 178.863 176.094 0.030 0.000 1.039 124 V CA 1.592 63.924 62.300 0.053 0.000 1.016 124 V CB -1.483 30.317 31.823 -0.038 0.000 0.650 124 V HN 0.439 nan 8.190 nan 0.000 0.449 125 A N -0.011 122.791 122.820 -0.031 0.000 1.903 125 A HA -0.229 4.091 4.320 0.000 0.000 0.219 125 A C 2.378 179.909 177.584 -0.088 0.000 1.191 125 A CA 2.652 54.654 52.037 -0.059 0.000 0.638 125 A CB -0.826 18.073 19.000 -0.167 0.000 0.823 125 A HN 0.349 nan 8.150 nan 0.000 0.451 126 V N -2.566 117.174 119.914 -0.290 0.000 2.239 126 V HA -0.256 3.865 4.120 0.000 0.000 0.242 126 V C 2.240 178.194 176.094 -0.234 0.000 1.038 126 V CA 1.743 63.771 62.300 -0.454 0.000 1.002 126 V CB -1.235 29.870 31.823 -1.197 0.000 0.641 126 V HN 0.795 nan 8.190 nan 0.000 0.449 127 W N 1.125 122.282 121.300 -0.239 0.000 2.325 127 W HA -0.242 4.418 4.660 0.000 0.000 0.299 127 W C 2.961 179.540 176.519 0.100 0.000 1.215 127 W CA 1.780 59.058 57.345 -0.112 0.000 1.244 127 W CB -0.499 28.792 29.460 -0.282 0.000 1.140 127 W HN 0.400 nan 8.180 nan 0.000 0.523 128 S N -0.966 114.910 115.700 0.292 0.000 2.355 128 S HA -0.264 4.206 4.470 0.000 0.000 0.222 128 S C 1.658 176.388 174.600 0.217 0.000 1.031 128 S CA 0.999 59.339 58.200 0.233 0.000 0.993 128 S CB -1.418 61.891 63.200 0.181 0.000 0.859 128 S HN 0.491 nan 8.310 nan 0.000 0.453 129 W N 0.996 122.343 121.300 0.078 0.000 2.374 129 W HA -0.124 4.536 4.660 0.000 0.000 0.288 129 W C 1.888 178.508 176.519 0.167 0.000 1.218 129 W CA 1.150 58.528 57.345 0.056 0.000 1.245 129 W CB -0.499 28.958 29.460 -0.006 0.000 1.126 129 W HN 0.516 nan 8.180 nan 0.000 0.545 130 W N 1.443 122.922 121.300 0.298 0.000 2.378 130 W HA -0.065 4.595 4.660 0.000 0.000 0.313 130 W C 2.541 179.131 176.519 0.118 0.000 1.197 130 W CA 3.384 60.916 57.345 0.312 0.000 1.304 130 W CB -0.973 28.535 29.460 0.081 0.000 1.148 130 W HN -0.126 nan 8.180 nan 0.000 0.494 131 G N 0.416 109.286 108.800 0.116 0.000 2.450 131 G HA2 -0.335 3.625 3.960 0.000 0.000 0.220 131 G HA3 -0.335 3.625 3.960 0.000 0.000 0.220 131 G C 1.612 176.337 174.900 -0.292 0.000 1.130 131 G CA 1.100 46.103 45.100 -0.161 0.000 0.760 131 G HN 0.342 nan 8.290 nan 0.000 0.557 132 R N 0.287 120.598 120.500 -0.314 0.000 2.073 132 R HA -0.117 4.224 4.340 0.000 0.000 0.234 132 R C 2.885 178.858 176.300 -0.546 0.000 1.134 132 R CA 2.133 57.953 56.100 -0.465 0.000 0.952 132 R CB -0.609 29.278 30.300 -0.687 0.000 0.850 132 R HN 0.452 nan 8.270 nan 0.000 0.433 133 T N -1.934 112.262 114.554 -0.597 0.000 2.915 133 T HA -0.184 4.166 4.350 0.000 0.000 0.269 133 T C 1.738 176.126 174.700 -0.521 0.000 1.071 133 T CA 1.052 62.832 62.100 -0.534 0.000 1.132 133 T CB -0.401 68.199 68.868 -0.447 0.000 0.878 133 T HN 0.447 nan 8.240 nan 0.000 0.479 134 Y N 1.219 121.085 120.300 -0.723 0.000 2.184 134 Y HA 0.167 4.717 4.550 0.000 0.000 0.290 134 Y C 1.965 177.572 175.900 -0.489 0.000 1.129 134 Y CA 0.675 58.347 58.100 -0.713 0.000 1.144 134 Y CB -0.492 37.405 38.460 -0.939 0.000 0.995 134 Y HN 0.103 nan 8.280 nan 0.000 0.513 135 L N 0.645 121.766 121.223 -0.171 0.000 2.017 135 L HA -0.197 4.143 4.340 0.000 0.000 0.208 135 L C 2.402 179.080 176.870 -0.320 0.000 1.073 135 L CA 1.564 56.298 54.840 -0.177 0.000 0.745 135 L CB -1.302 40.649 42.059 -0.180 0.000 0.894 135 L HN 0.167 nan 8.230 nan 0.000 0.432 136 R N -0.354 119.903 120.500 -0.405 0.000 2.159 136 R HA -0.093 4.248 4.340 0.000 0.000 0.237 136 R C 2.110 178.201 176.300 -0.349 0.000 1.131 136 R CA 1.219 57.066 56.100 -0.422 0.000 0.982 136 R CB -1.175 28.863 30.300 -0.437 0.000 0.868 136 R HN 0.418 nan 8.270 nan 0.000 0.453 137 A N 0.385 122.973 122.820 -0.386 0.000 1.872 137 A HA -0.149 4.171 4.320 0.000 0.000 0.214 137 A C 2.170 179.561 177.584 -0.320 0.000 1.187 137 A CA 1.097 52.916 52.037 -0.365 0.000 0.614 137 A CB -0.461 18.256 19.000 -0.471 0.000 0.826 137 A HN 0.316 nan 8.150 nan 0.000 0.442 138 Q N -0.594 118.990 119.800 -0.360 0.000 2.135 138 Q HA -0.198 4.142 4.340 0.000 0.000 0.204 138 Q C 2.239 178.138 176.000 -0.168 0.000 0.981 138 Q CA 1.594 57.248 55.803 -0.248 0.000 0.856 138 Q CB -0.335 28.292 28.738 -0.185 0.000 0.902 138 Q HN 0.655 nan 8.270 nan 0.000 0.425 139 A N 0.350 123.062 122.820 -0.179 0.000 1.908 139 A HA -0.154 4.166 4.320 0.000 0.000 0.218 139 A C 1.822 179.336 177.584 -0.116 0.000 1.181 139 A CA 1.205 53.160 52.037 -0.136 0.000 0.627 139 A CB -0.491 18.409 19.000 -0.167 0.000 0.818 139 A HN 0.422 nan 8.150 nan 0.000 0.445 140 L N -1.257 119.881 121.223 -0.141 0.000 2.591 140 L HA 0.215 4.555 4.340 0.000 0.000 0.228 140 L C 1.623 178.428 176.870 -0.108 0.000 1.133 140 L CA 0.432 55.202 54.840 -0.116 0.000 0.880 140 L CB -0.233 41.749 42.059 -0.129 0.000 1.033 140 L HN 0.581 nan 8.230 nan 0.000 0.450 141 G N 0.357 109.086 108.800 -0.118 0.000 2.153 141 G HA2 -0.315 3.645 3.960 0.000 0.000 0.252 141 G HA3 -0.315 3.645 3.960 0.000 0.000 0.252 141 G C 0.230 175.067 174.900 -0.106 0.000 0.994 141 G CA 0.300 45.340 45.100 -0.100 0.000 0.698 141 G HN 0.287 nan 8.290 nan 0.000 0.521 142 M N 0.305 119.823 119.600 -0.138 0.000 2.267 142 M HA 0.561 5.041 4.480 0.000 0.000 0.303 142 M C 1.445 177.666 176.300 -0.131 0.000 1.164 142 M CA 0.072 55.293 55.300 -0.131 0.000 1.060 142 M CB 0.585 33.093 32.600 -0.154 0.000 1.455 142 M HN 0.210 nan 8.290 nan 0.000 0.483 143 G N 0.386 109.150 108.800 -0.061 0.000 2.699 143 G HA2 0.135 4.095 3.960 0.000 0.000 0.246 143 G HA3 0.135 4.095 3.960 0.000 0.000 0.246 143 G C 0.198 175.062 174.900 -0.059 0.000 1.219 143 G CA -0.563 44.567 45.100 0.049 0.000 0.866 143 G HN 0.622 nan 8.290 nan 0.000 0.572 144 K N -0.137 120.168 120.400 -0.159 0.000 2.500 144 K HA 0.109 4.430 4.320 0.000 0.000 0.206 144 K C 1.405 177.736 176.600 -0.448 0.000 1.034 144 K CA -0.164 55.828 56.287 -0.492 0.000 1.179 144 K CB -0.134 31.903 32.500 -0.772 0.000 0.884 144 K HN 0.589 nan 8.250 nan 0.000 0.493 145 H N 0.702 119.641 119.070 -0.217 0.000 2.321 145 H HA -0.127 4.429 4.556 0.000 0.000 0.295 145 H C 1.691 176.945 175.328 -0.123 0.000 1.102 145 H CA 2.408 58.399 56.048 -0.095 0.000 1.266 145 H CB -0.477 29.234 29.762 -0.085 0.000 1.363 145 H HN 0.125 nan 8.280 nan 0.000 0.492 146 T N 0.235 114.757 114.554 -0.054 0.000 2.720 146 T HA -0.176 4.174 4.350 0.000 0.000 0.268 146 T C 2.345 177.010 174.700 -0.057 0.000 1.037 146 T CA 1.270 63.324 62.100 -0.077 0.000 1.144 146 T CB -0.555 68.222 68.868 -0.151 0.000 0.864 146 T HN 0.529 nan 8.240 nan 0.000 0.444 147 A N 0.621 123.290 122.820 -0.251 0.000 1.877 147 A HA -0.071 4.250 4.320 0.000 0.000 0.216 147 A C 2.142 179.865 177.584 0.231 0.000 1.186 147 A CA 1.233 53.119 52.037 -0.252 0.000 0.620 147 A CB -1.141 17.407 19.000 -0.753 0.000 0.822 147 A HN 0.723 nan 8.150 nan 0.000 0.443 148 W N -0.433 121.007 121.300 0.233 0.000 2.354 148 W HA -0.063 4.597 4.660 0.000 0.000 0.315 148 W C 2.840 179.433 176.519 0.124 0.000 1.206 148 W CA 0.669 58.124 57.345 0.184 0.000 1.290 148 W CB -0.266 29.198 29.460 0.006 0.000 1.152 148 W HN 0.392 nan 8.180 nan 0.000 0.489 149 A N 0.304 123.291 122.820 0.278 0.000 1.917 149 A HA -0.299 4.022 4.320 0.000 0.000 0.219 149 A C 1.765 179.506 177.584 0.262 0.000 1.182 149 A CA 1.777 53.906 52.037 0.153 0.000 0.633 149 A CB -1.270 17.771 19.000 0.068 0.000 0.819 149 A HN 0.385 nan 8.150 nan 0.000 0.448 150 F N 0.004 120.046 119.950 0.153 0.000 2.269 150 F HA -0.074 4.453 4.527 0.000 0.000 0.301 150 F C 1.707 177.617 175.800 0.184 0.000 1.082 150 F CA 1.049 59.146 58.000 0.162 0.000 1.360 150 F CB -0.497 38.625 39.000 0.203 0.000 1.041 150 F HN 0.194 nan 8.300 nan 0.000 0.512 151 L N -0.345 121.026 121.223 0.247 0.000 2.083 151 L HA -0.141 4.199 4.340 0.000 0.000 0.209 151 L C 2.676 179.571 176.870 0.042 0.000 1.083 151 L CA 2.032 56.878 54.840 0.011 0.000 0.752 151 L CB -1.351 40.849 42.059 0.236 0.000 0.899 151 L HN 0.219 nan 8.230 nan 0.000 0.433 152 S N -0.910 114.866 115.700 0.127 0.000 2.359 152 S HA -0.207 4.263 4.470 0.000 0.000 0.224 152 S C 2.146 176.859 174.600 0.188 0.000 1.035 152 S CA 1.341 59.635 58.200 0.156 0.000 1.018 152 S CB -0.404 62.865 63.200 0.116 0.000 0.876 152 S HN 0.635 nan 8.310 nan 0.000 0.448 153 A N 0.920 123.819 122.820 0.133 0.000 1.930 153 A HA 0.045 4.365 4.320 0.000 0.000 0.217 153 A C 2.127 179.728 177.584 0.029 0.000 1.175 153 A CA 1.305 53.407 52.037 0.109 0.000 0.627 153 A CB -0.673 18.424 19.000 0.161 0.000 0.815 153 A HN 0.619 nan 8.150 nan 0.000 0.443 154 I N -1.399 119.089 120.570 -0.137 0.000 2.315 154 I HA -0.270 3.900 4.170 0.000 0.000 0.248 154 I C 2.454 178.650 176.117 0.131 0.000 1.117 154 I CA 1.235 62.412 61.300 -0.205 0.000 1.404 154 I CB -0.281 37.298 38.000 -0.700 0.000 1.071 154 I HN 0.773 nan 8.210 nan 0.000 0.419 155 W N 1.574 122.856 121.300 -0.031 0.000 2.318 155 W HA -0.337 4.323 4.660 0.000 0.000 0.313 155 W C 2.288 178.842 176.519 0.058 0.000 1.221 155 W CA 1.415 58.777 57.345 0.029 0.000 1.266 155 W CB -0.297 29.176 29.460 0.022 0.000 1.150 155 W HN 0.161 nan 8.180 nan 0.000 0.496 156 L N 0.911 122.059 121.223 -0.126 0.000 2.027 156 L HA -0.146 4.194 4.340 0.000 0.000 0.206 156 L C 2.364 179.143 176.870 -0.151 0.000 1.074 156 L CA 2.819 57.500 54.840 -0.265 0.000 0.745 156 L CB -1.666 40.361 42.059 -0.054 0.000 0.898 156 L HN 0.236 nan 8.230 nan 0.000 0.433 157 W N -0.130 121.055 121.300 -0.193 0.000 2.318 157 W HA -0.290 4.370 4.660 0.000 0.000 0.313 157 W C 2.271 178.708 176.519 -0.136 0.000 1.221 157 W CA 2.133 59.375 57.345 -0.171 0.000 1.266 157 W CB -0.309 29.024 29.460 -0.211 0.000 1.150 157 W HN 0.124 nan 8.180 nan 0.000 0.496 158 M N 0.039 119.502 119.600 -0.229 0.000 2.117 158 M HA -0.181 4.299 4.480 0.000 0.000 0.262 158 M C 1.973 178.135 176.300 -0.230 0.000 1.065 158 M CA 1.490 56.587 55.300 -0.338 0.000 1.114 158 M CB -1.653 30.955 32.600 0.013 0.000 1.361 158 M HN 0.005 nan 8.290 nan 0.000 0.408 159 V N 0.451 120.151 119.914 -0.357 0.000 2.295 159 V HA -0.263 3.857 4.120 0.000 0.000 0.246 159 V C 2.534 178.509 176.094 -0.198 0.000 1.049 159 V CA 1.354 63.435 62.300 -0.364 0.000 1.024 159 V CB -0.575 30.836 31.823 -0.686 0.000 0.648 159 V HN 0.397 nan 8.190 nan 0.000 0.447 160 L N 0.113 121.203 121.223 -0.222 0.000 1.989 160 L HA -0.129 4.211 4.340 0.000 0.000 0.211 160 L C 2.169 178.968 176.870 -0.118 0.000 1.071 160 L CA 2.000 56.740 54.840 -0.167 0.000 0.749 160 L CB -0.703 41.227 42.059 -0.215 0.000 0.890 160 L HN 0.508 nan 8.230 nan 0.000 0.431 161 G N -3.300 105.411 108.800 -0.149 0.000 3.324 161 G HA2 0.039 3.999 3.960 0.000 0.000 0.251 161 G HA3 0.039 3.999 3.960 0.000 0.000 0.251 161 G C 0.584 175.613 174.900 0.215 0.000 1.072 161 G CA -0.193 44.914 45.100 0.013 0.000 0.787 161 G HN 0.195 nan 8.290 nan 0.000 0.537 162 F N -0.133 119.804 119.950 -0.021 0.000 2.102 162 F HA 0.383 4.911 4.527 0.000 0.000 0.245 162 F C 2.150 178.023 175.800 0.123 0.000 1.049 162 F CA 0.029 58.105 58.000 0.126 0.000 1.227 162 F CB -0.155 38.864 39.000 0.032 0.000 1.527 162 F HN -0.046 nan 8.300 nan 0.000 0.624 163 I N 1.057 121.754 120.570 0.212 0.000 2.069 163 I HA -0.341 3.830 4.170 0.000 0.000 0.237 163 I C 2.579 178.692 176.117 -0.007 0.000 1.053 163 I CA 2.079 63.432 61.300 0.088 0.000 1.311 163 I CB -0.589 37.476 38.000 0.108 0.000 1.030 163 I HN 0.178 nan 8.210 nan 0.000 0.398 164 R N 0.908 121.411 120.500 0.005 0.000 2.094 164 R HA -0.185 4.155 4.340 0.000 0.000 0.239 164 R C -0.382 175.917 176.300 -0.001 0.000 1.137 164 R CA 2.218 58.334 56.100 0.027 0.000 0.943 164 R CB -1.330 29.019 30.300 0.082 0.000 0.850 164 R HN 0.184 nan 8.270 nan 0.000 0.433 165 P HA -0.214 nan 4.420 nan 0.000 0.216 165 P C 1.128 178.266 177.300 -0.270 0.000 1.157 165 P CA 1.624 64.690 63.100 -0.057 0.000 0.880 165 P CB -0.053 31.705 31.700 0.096 0.000 0.791 166 I N -1.540 118.826 120.570 -0.340 0.000 2.090 166 I HA -0.238 3.933 4.170 0.000 0.000 0.236 166 I C 2.307 178.279 176.117 -0.242 0.000 1.064 166 I CA 1.409 62.457 61.300 -0.419 0.000 1.324 166 I CB -0.761 37.012 38.000 -0.378 0.000 1.044 166 I HN -0.120 nan 8.210 nan 0.000 0.399 167 L N -0.203 120.938 121.223 -0.137 0.000 2.137 167 L HA -0.289 4.051 4.340 0.000 0.000 0.213 167 L C 2.618 179.442 176.870 -0.077 0.000 1.085 167 L CA 1.200 55.995 54.840 -0.076 0.000 0.760 167 L CB -0.500 41.546 42.059 -0.022 0.000 0.893 167 L HN 0.362 nan 8.230 nan 0.000 0.434 168 M N -1.296 118.254 119.600 -0.084 0.000 2.254 168 M HA 0.028 4.508 4.480 0.000 0.000 0.265 168 M C 1.747 177.979 176.300 -0.113 0.000 1.066 168 M CA 1.434 56.692 55.300 -0.070 0.000 1.123 168 M CB -0.889 31.691 32.600 -0.032 0.000 1.388 168 M HN 0.464 nan 8.290 nan 0.000 0.425 169 G N 0.752 109.441 108.800 -0.185 0.000 2.184 169 G HA2 -0.169 3.792 3.960 0.000 0.000 0.206 169 G HA3 -0.169 3.792 3.960 0.000 0.000 0.206 169 G C 0.147 174.880 174.900 -0.279 0.000 0.995 169 G CA 0.346 45.319 45.100 -0.211 0.000 0.651 169 G HN 0.707 nan 8.290 nan 0.000 0.511 170 S N -1.947 113.556 115.700 -0.329 0.000 2.543 170 S HA 0.494 4.965 4.470 0.000 0.000 0.274 170 S C 0.163 174.558 174.600 -0.342 0.000 1.149 170 S CA -0.147 57.834 58.200 -0.365 0.000 0.866 170 S CB 0.365 63.461 63.200 -0.173 0.000 1.111 170 S HN 0.478 nan 8.310 nan 0.000 0.457 171 W N 1.201 122.405 121.300 -0.161 0.000 2.825 171 W HA 0.087 4.747 4.660 0.000 0.000 0.243 171 W C 2.567 178.882 176.519 -0.340 0.000 1.293 171 W CA 0.467 57.659 57.345 -0.256 0.000 1.403 171 W CB 0.059 29.329 29.460 -0.317 0.000 1.134 171 W HN 0.815 nan 8.180 nan 0.000 0.666 172 S N 0.707 116.377 115.700 -0.050 0.000 2.400 172 S HA -0.201 4.269 4.470 0.000 0.000 0.232 172 S C 1.849 176.453 174.600 0.005 0.000 1.025 172 S CA 1.403 59.566 58.200 -0.062 0.000 0.993 172 S CB -0.132 63.052 63.200 -0.027 0.000 0.808 172 S HN 0.163 nan 8.310 nan 0.000 0.478 173 E N 1.243 121.476 120.200 0.055 0.000 2.268 173 E HA 0.095 4.445 4.350 0.000 0.000 0.195 173 E C 1.096 177.886 176.600 0.318 0.000 0.995 173 E CA 0.558 57.077 56.400 0.198 0.000 0.836 173 E CB -0.584 29.214 29.700 0.163 0.000 0.763 173 E HN 0.615 nan 8.360 nan 0.000 0.491 174 A N 1.032 123.926 122.820 0.123 0.000 2.409 174 A HA 0.160 4.480 4.320 0.000 0.000 0.246 174 A C 0.446 177.920 177.584 -0.182 0.000 1.099 174 A CA -0.265 51.795 52.037 0.039 0.000 0.789 174 A CB 0.425 19.500 19.000 0.124 0.000 1.053 174 A HN -0.034 nan 8.150 nan 0.000 0.503 175 V N 2.974 122.612 119.914 -0.461 0.000 2.583 175 V HA 0.294 4.414 4.120 0.000 0.000 0.287 175 V C -1.587 174.296 176.094 -0.351 0.000 1.051 175 V CA -0.979 60.835 62.300 -0.809 0.000 1.010 175 V CB 0.853 32.150 31.823 -0.876 0.000 0.988 175 V HN 0.900 nan 8.190 nan 0.000 0.478 176 P HA 0.197 nan 4.420 nan 0.000 0.275 176 P C -1.464 175.781 177.300 -0.092 0.000 1.266 176 P CA -0.381 62.688 63.100 -0.052 0.000 0.793 176 P CB 0.626 32.378 31.700 0.087 0.000 1.074 177 Y N -0.384 120.103 120.300 0.311 0.000 2.593 177 Y HA 0.611 5.162 4.550 0.000 0.000 0.331 177 Y C 1.114 177.195 175.900 0.301 0.000 0.986 177 Y CA 0.162 58.401 58.100 0.232 0.000 1.262 177 Y CB 0.790 39.338 38.460 0.147 0.000 1.098 177 Y HN 0.555 nan 8.280 nan 0.000 0.506 178 G N 1.722 110.741 108.800 0.364 0.000 2.632 178 G HA2 0.377 4.338 3.960 0.000 0.000 0.292 178 G HA3 0.377 4.338 3.960 0.000 0.000 0.292 178 G C -0.225 174.854 174.900 0.299 0.000 1.465 178 G CA -0.725 44.597 45.100 0.369 0.000 0.824 178 G HN 0.203 nan 8.290 nan 0.000 0.509 179 I N 0.457 121.167 120.570 0.233 0.000 2.102 179 I HA 0.057 4.227 4.170 0.000 0.000 0.228 179 I C 2.620 178.917 176.117 0.300 0.000 1.057 179 I CA 1.055 62.478 61.300 0.205 0.000 1.334 179 I CB -1.110 36.907 38.000 0.029 0.000 1.096 179 I HN 0.453 nan 8.210 nan 0.000 0.396 180 F N 1.445 121.417 119.950 0.036 0.000 2.161 180 F HA -0.176 4.351 4.527 0.000 0.000 0.300 180 F C 3.058 178.877 175.800 0.031 0.000 1.089 180 F CA 1.339 59.298 58.000 -0.069 0.000 1.282 180 F CB -1.564 37.270 39.000 -0.276 0.000 1.010 180 F HN 0.142 nan 8.300 nan 0.000 0.485 181 S N -0.342 115.534 115.700 0.294 0.000 2.387 181 S HA -0.265 4.206 4.470 0.000 0.000 0.230 181 S C 2.232 177.013 174.600 0.303 0.000 1.035 181 S CA 1.919 60.279 58.200 0.265 0.000 1.014 181 S CB -0.692 62.661 63.200 0.255 0.000 0.836 181 S HN 0.661 nan 8.310 nan 0.000 0.466 182 H N 0.428 119.612 119.070 0.191 0.000 2.551 182 H HA 0.214 4.771 4.556 0.000 0.000 0.266 182 H C 2.017 177.483 175.328 0.230 0.000 0.964 182 H CA 0.606 56.764 56.048 0.183 0.000 1.180 182 H CB -0.555 29.270 29.762 0.106 0.000 1.408 182 H HN 0.428 nan 8.280 nan 0.000 0.563 183 L N 0.729 121.853 121.223 -0.165 0.000 2.027 183 L HA -0.142 4.198 4.340 0.000 0.000 0.206 183 L C 2.214 179.092 176.870 0.014 0.000 1.074 183 L CA 1.400 56.135 54.840 -0.176 0.000 0.745 183 L CB -0.313 41.702 42.059 -0.074 0.000 0.898 183 L HN 0.146 nan 8.230 nan 0.000 0.433 184 D N -0.562 119.886 120.400 0.080 0.000 2.106 184 D HA -0.270 4.370 4.640 0.000 0.000 0.191 184 D C 1.665 178.056 176.300 0.152 0.000 0.997 184 D CA 1.334 55.390 54.000 0.093 0.000 0.834 184 D CB -0.424 40.440 40.800 0.106 0.000 0.956 184 D HN 0.401 nan 8.370 nan 0.000 0.448 185 W N 1.745 123.074 121.300 0.049 0.000 2.305 185 W HA -0.286 4.375 4.660 0.000 0.000 0.308 185 W C 2.269 178.845 176.519 0.095 0.000 1.226 185 W CA 2.724 60.120 57.345 0.084 0.000 1.253 185 W CB -0.458 29.060 29.460 0.097 0.000 1.146 185 W HN -0.095 nan 8.180 nan 0.000 0.507 186 T N 0.114 114.895 114.554 0.379 0.000 2.674 186 T HA -0.305 4.045 4.350 0.000 0.000 0.265 186 T C 1.415 176.129 174.700 0.024 0.000 1.039 186 T CA 1.750 63.973 62.100 0.205 0.000 1.150 186 T CB -0.863 68.107 68.868 0.169 0.000 0.864 186 T HN 0.297 nan 8.240 nan 0.000 0.427 187 N N 1.425 120.130 118.700 0.010 0.000 2.069 187 N HA -0.129 4.611 4.740 0.000 0.000 0.191 187 N C 1.702 177.177 175.510 -0.058 0.000 1.031 187 N CA 1.635 54.664 53.050 -0.035 0.000 0.852 187 N CB -0.452 38.015 38.487 -0.033 0.000 1.018 187 N HN 0.234 nan 8.380 nan 0.000 0.423 188 N N -0.719 117.939 118.700 -0.070 0.000 2.058 188 N HA -0.104 4.636 4.740 0.000 0.000 0.191 188 N C 1.357 176.776 175.510 -0.152 0.000 1.037 188 N CA 1.091 54.074 53.050 -0.112 0.000 0.848 188 N CB -0.549 37.864 38.487 -0.124 0.000 1.021 188 N HN 0.283 nan 8.380 nan 0.000 0.422 189 F N 0.973 120.656 119.950 -0.445 0.000 2.111 189 F HA -0.283 4.244 4.527 0.000 0.000 0.300 189 F C 2.640 178.349 175.800 -0.152 0.000 1.088 189 F CA 1.761 59.481 58.000 -0.466 0.000 1.243 189 F CB -0.726 37.736 39.000 -0.897 0.000 0.996 189 F HN 0.018 nan 8.300 nan 0.000 0.483 190 S N 0.263 115.985 115.700 0.036 0.000 2.348 190 S HA -0.188 4.283 4.470 0.000 0.000 0.221 190 S C 2.161 176.742 174.600 -0.032 0.000 1.033 190 S CA 1.662 59.857 58.200 -0.008 0.000 1.010 190 S CB -0.628 62.508 63.200 -0.107 0.000 0.891 190 S HN 0.444 nan 8.310 nan 0.000 0.442 191 L N 1.191 122.375 121.223 -0.066 0.000 2.043 191 L HA -0.098 4.242 4.340 0.000 0.000 0.212 191 L C 2.448 179.269 176.870 -0.081 0.000 1.075 191 L CA 1.260 56.060 54.840 -0.067 0.000 0.752 191 L CB -0.758 41.255 42.059 -0.077 0.000 0.891 191 L HN 0.253 nan 8.230 nan 0.000 0.432 192 V N -1.155 118.681 119.914 -0.129 0.000 2.913 192 V HA -0.234 3.886 4.120 0.000 0.000 0.260 192 V C 1.422 177.277 176.094 -0.399 0.000 1.098 192 V CA 1.470 63.620 62.300 -0.250 0.000 1.121 192 V CB -0.905 30.723 31.823 -0.324 0.000 0.714 192 V HN 0.479 nan 8.190 nan 0.000 0.487 193 H N -0.491 118.459 119.070 -0.200 0.000 2.542 193 H HA 0.470 5.026 4.556 0.000 0.000 0.283 193 H C 1.490 176.862 175.328 0.074 0.000 1.059 193 H CA 0.311 56.296 56.048 -0.104 0.000 1.162 193 H CB 0.494 30.199 29.762 -0.095 0.000 1.539 193 H HN 0.366 nan 8.280 nan 0.000 0.543 194 G N 1.625 110.502 108.800 0.128 0.000 2.164 194 G HA2 -0.306 3.654 3.960 0.000 0.000 0.212 194 G HA3 -0.306 3.654 3.960 0.000 0.000 0.212 194 G C -0.424 174.680 174.900 0.341 0.000 1.031 194 G CA -0.087 45.138 45.100 0.209 0.000 0.730 194 G HN 0.679 nan 8.290 nan 0.000 0.501 195 N N -2.224 116.586 118.700 0.184 0.000 2.407 195 N HA -0.139 4.601 4.740 0.000 0.000 0.284 195 N C 0.939 176.483 175.510 0.056 0.000 1.508 195 N CA 0.984 54.074 53.050 0.066 0.000 0.779 195 N CB -0.912 37.643 38.487 0.112 0.000 0.916 195 N HN 0.694 nan 8.380 nan 0.000 0.474 196 L N 3.605 124.729 121.223 -0.166 0.000 2.351 196 L HA -0.032 4.308 4.340 0.000 0.000 0.220 196 L C 1.703 178.380 176.870 -0.322 0.000 1.127 196 L CA 1.319 55.964 54.840 -0.325 0.000 0.786 196 L CB -0.486 41.187 42.059 -0.643 0.000 0.914 196 L HN 0.665 nan 8.230 nan 0.000 0.443 197 F N -1.674 118.069 119.950 -0.345 0.000 2.307 197 F HA -0.238 4.289 4.527 0.000 0.000 0.301 197 F C 1.914 177.568 175.800 -0.243 0.000 1.076 197 F CA 0.820 58.644 58.000 -0.294 0.000 1.383 197 F CB -1.018 37.766 39.000 -0.362 0.000 1.055 197 F HN 0.169 nan 8.300 nan 0.000 0.526 198 Y N -1.378 119.066 120.300 0.240 0.000 2.523 198 Y HA 0.035 4.586 4.550 0.000 0.000 0.279 198 Y C 1.223 177.215 175.900 0.154 0.000 1.139 198 Y CA -0.314 57.947 58.100 0.268 0.000 1.296 198 Y CB -0.725 37.976 38.460 0.401 0.000 1.045 198 Y HN -0.147 nan 8.280 nan 0.000 0.538 199 N N 3.098 121.734 118.700 -0.106 0.000 2.431 199 N HA 0.001 4.741 4.740 0.000 0.000 0.265 199 N C -1.698 173.580 175.510 -0.387 0.000 1.184 199 N CA -1.488 51.038 53.050 -0.874 0.000 0.943 199 N CB 1.114 38.846 38.487 -1.259 0.000 1.080 199 N HN 0.056 nan 8.380 nan 0.000 0.477 200 P HA -0.137 nan 4.420 nan 0.000 0.218 200 P C 1.099 178.206 177.300 -0.323 0.000 1.148 200 P CA 1.276 64.230 63.100 -0.244 0.000 0.822 200 P CB 0.024 31.584 31.700 -0.233 0.000 0.784 201 F N -0.679 119.166 119.950 -0.176 0.000 2.259 201 F HA -0.100 4.427 4.527 0.000 0.000 0.298 201 F C 2.932 178.702 175.800 -0.051 0.000 1.088 201 F CA 1.075 59.031 58.000 -0.072 0.000 1.358 201 F CB -1.420 37.547 39.000 -0.055 0.000 1.040 201 F HN 0.075 nan 8.300 nan 0.000 0.505 202 H N 0.191 119.245 119.070 -0.027 0.000 2.353 202 H HA -0.111 4.445 4.556 0.000 0.000 0.300 202 H C 2.364 177.670 175.328 -0.037 0.000 1.090 202 H CA 1.700 57.727 56.048 -0.035 0.000 1.327 202 H CB -0.530 29.180 29.762 -0.088 0.000 1.383 202 H HN 0.325 nan 8.280 nan 0.000 0.508 203 G N 0.906 109.727 108.800 0.036 0.000 2.422 203 G HA2 -0.189 3.771 3.960 0.000 0.000 0.218 203 G HA3 -0.189 3.771 3.960 0.000 0.000 0.218 203 G C 1.793 176.589 174.900 -0.173 0.000 1.140 203 G CA 0.520 45.590 45.100 -0.051 0.000 0.775 203 G HN 0.328 nan 8.290 nan 0.000 0.545 204 L N 0.913 122.041 121.223 -0.158 0.000 2.072 204 L HA 0.078 4.418 4.340 0.000 0.000 0.205 204 L C 3.007 179.706 176.870 -0.285 0.000 1.079 204 L CA 1.855 56.547 54.840 -0.247 0.000 0.752 204 L CB -0.848 41.153 42.059 -0.097 0.000 0.906 204 L HN 0.261 nan 8.230 nan 0.000 0.436 205 S N -0.330 115.330 115.700 -0.065 0.000 2.359 205 S HA -0.244 4.226 4.470 0.000 0.000 0.222 205 S C 2.094 176.611 174.600 -0.137 0.000 1.038 205 S CA 1.994 60.207 58.200 0.022 0.000 1.051 205 S CB -0.390 62.780 63.200 -0.050 0.000 0.944 205 S HN 0.420 nan 8.310 nan 0.000 0.433 206 I N 1.731 122.105 120.570 -0.326 0.000 2.248 206 I HA -0.251 3.919 4.170 0.000 0.000 0.248 206 I C 2.724 178.510 176.117 -0.552 0.000 1.107 206 I CA 1.142 62.133 61.300 -0.514 0.000 1.373 206 I CB -0.628 37.037 38.000 -0.558 0.000 1.055 206 I HN 0.407 nan 8.210 nan 0.000 0.418 207 A N 0.975 123.542 122.820 -0.422 0.000 1.908 207 A HA -0.199 4.121 4.320 0.000 0.000 0.218 207 A C 1.984 179.446 177.584 -0.204 0.000 1.181 207 A CA 1.676 53.505 52.037 -0.347 0.000 0.627 207 A CB -0.816 17.872 19.000 -0.520 0.000 0.818 207 A HN 0.350 nan 8.150 nan 0.000 0.445 208 F N -0.974 118.977 119.950 0.002 0.000 2.293 208 F HA 0.033 4.560 4.527 0.000 0.000 0.297 208 F C 1.928 177.763 175.800 0.059 0.000 1.089 208 F CA 0.629 58.666 58.000 0.061 0.000 1.377 208 F CB -0.814 38.234 39.000 0.081 0.000 1.051 208 F HN 0.222 nan 8.300 nan 0.000 0.511 209 L N -0.997 120.306 121.223 0.134 0.000 2.083 209 L HA -0.219 4.121 4.340 0.000 0.000 0.209 209 L C 2.117 179.116 176.870 0.215 0.000 1.083 209 L CA 1.839 56.742 54.840 0.104 0.000 0.752 209 L CB -0.797 41.235 42.059 -0.045 0.000 0.899 209 L HN 0.044 nan 8.230 nan 0.000 0.433 210 Y N -0.387 119.967 120.300 0.090 0.000 2.243 210 Y HA 0.112 4.662 4.550 0.000 0.000 0.293 210 Y C 2.542 178.498 175.900 0.094 0.000 1.124 210 Y CA 0.564 58.707 58.100 0.072 0.000 1.159 210 Y CB -1.478 37.002 38.460 0.034 0.000 1.008 210 Y HN 0.202 nan 8.280 nan 0.000 0.527 211 G N -1.147 107.826 108.800 0.288 0.000 2.448 211 G HA2 -0.194 3.766 3.960 0.000 0.000 0.219 211 G HA3 -0.194 3.766 3.960 0.000 0.000 0.219 211 G C 1.876 176.898 174.900 0.203 0.000 1.127 211 G CA 1.186 46.422 45.100 0.227 0.000 0.766 211 G HN 0.362 nan 8.290 nan 0.000 0.552 212 S N 0.937 116.772 115.700 0.225 0.000 2.368 212 S HA 0.047 4.517 4.470 0.000 0.000 0.224 212 S C 2.777 177.510 174.600 0.223 0.000 1.029 212 S CA 1.038 59.358 58.200 0.201 0.000 0.988 212 S CB -0.297 63.022 63.200 0.199 0.000 0.838 212 S HN 0.549 nan 8.310 nan 0.000 0.462 213 A N 1.156 124.106 122.820 0.216 0.000 1.969 213 A HA 0.021 4.341 4.320 0.000 0.000 0.218 213 A C 2.091 179.769 177.584 0.157 0.000 1.169 213 A CA 1.092 53.242 52.037 0.188 0.000 0.635 213 A CB -0.547 18.549 19.000 0.161 0.000 0.810 213 A HN 0.417 nan 8.150 nan 0.000 0.445 214 L N -0.944 120.363 121.223 0.141 0.000 2.005 214 L HA -0.033 4.307 4.340 0.000 0.000 0.207 214 L C 2.217 179.136 176.870 0.081 0.000 1.072 214 L CA 1.953 56.851 54.840 0.097 0.000 0.744 214 L CB -0.579 41.528 42.059 0.080 0.000 0.895 214 L HN 0.288 nan 8.230 nan 0.000 0.433 215 L N -1.472 119.796 121.223 0.074 0.000 2.056 215 L HA -0.161 4.179 4.340 0.000 0.000 0.207 215 L C 2.268 179.223 176.870 0.140 0.000 1.078 215 L CA 1.633 56.483 54.840 0.017 0.000 0.749 215 L CB -0.807 41.241 42.059 -0.019 0.000 0.901 215 L HN 0.302 nan 8.230 nan 0.000 0.433 216 F N 0.056 120.033 119.950 0.045 0.000 2.234 216 F HA -0.057 4.470 4.527 0.000 0.000 0.299 216 F C 2.361 178.205 175.800 0.074 0.000 1.087 216 F CA 0.699 58.747 58.000 0.080 0.000 1.340 216 F CB -0.967 38.081 39.000 0.081 0.000 1.031 216 F HN 0.183 nan 8.300 nan 0.000 0.500 217 A N 0.030 122.997 122.820 0.244 0.000 1.877 217 A HA -0.220 4.100 4.320 0.000 0.000 0.216 217 A C 2.349 180.014 177.584 0.135 0.000 1.186 217 A CA 1.871 53.980 52.037 0.119 0.000 0.620 217 A CB -0.721 18.333 19.000 0.090 0.000 0.822 217 A HN 0.377 nan 8.150 nan 0.000 0.443 218 M N -1.950 117.735 119.600 0.141 0.000 2.059 218 M HA -0.175 4.305 4.480 0.000 0.000 0.259 218 M C 2.314 178.711 176.300 0.162 0.000 1.072 218 M CA 2.186 57.575 55.300 0.149 0.000 1.117 218 M CB -0.608 31.939 32.600 -0.089 0.000 1.320 218 M HN 0.696 nan 8.290 nan 0.000 0.408 219 H N -0.029 119.064 119.070 0.039 0.000 2.290 219 H HA -0.106 4.450 4.556 0.000 0.000 0.298 219 H C 1.936 177.336 175.328 0.119 0.000 1.087 219 H CA 2.319 58.394 56.048 0.046 0.000 1.291 219 H CB -0.716 29.053 29.762 0.011 0.000 1.369 219 H HN 0.353 nan 8.280 nan 0.000 0.492 220 G N -0.048 108.831 108.800 0.131 0.000 2.459 220 G HA2 -0.306 3.655 3.960 0.000 0.000 0.217 220 G HA3 -0.306 3.655 3.960 0.000 0.000 0.217 220 G C 1.968 176.811 174.900 -0.095 0.000 1.183 220 G CA 1.447 46.538 45.100 -0.014 0.000 0.776 220 G HN 0.646 nan 8.290 nan 0.000 0.552 221 A N 0.126 122.919 122.820 -0.045 0.000 1.908 221 A HA -0.066 4.255 4.320 0.000 0.000 0.218 221 A C 2.538 180.060 177.584 -0.103 0.000 1.181 221 A CA 2.631 54.624 52.037 -0.074 0.000 0.627 221 A CB -1.090 17.890 19.000 -0.033 0.000 0.818 221 A HN 0.342 nan 8.150 nan 0.000 0.445 222 T N 0.644 115.170 114.554 -0.047 0.000 2.622 222 T HA -0.157 4.193 4.350 0.000 0.000 0.266 222 T C 1.816 176.454 174.700 -0.103 0.000 1.047 222 T CA 1.591 63.665 62.100 -0.043 0.000 1.159 222 T CB -0.367 68.580 68.868 0.132 0.000 0.863 222 T HN 0.298 nan 8.240 nan 0.000 0.422 223 I N 1.308 121.778 120.570 -0.166 0.000 2.151 223 I HA -0.135 4.035 4.170 0.000 0.000 0.243 223 I C 2.433 178.476 176.117 -0.123 0.000 1.080 223 I CA 1.396 62.606 61.300 -0.151 0.000 1.339 223 I CB -1.392 36.472 38.000 -0.225 0.000 1.039 223 I HN 0.283 nan 8.210 nan 0.000 0.409 224 L N 0.377 121.513 121.223 -0.146 0.000 2.083 224 L HA -0.182 4.158 4.340 0.000 0.000 0.209 224 L C 2.715 179.489 176.870 -0.159 0.000 1.083 224 L CA 1.328 56.073 54.840 -0.158 0.000 0.752 224 L CB -0.755 41.196 42.059 -0.180 0.000 0.899 224 L HN 0.201 nan 8.230 nan 0.000 0.433 225 A N 0.020 122.748 122.820 -0.154 0.000 2.015 225 A HA -0.092 4.228 4.320 0.000 0.000 0.219 225 A C 1.823 179.342 177.584 -0.109 0.000 1.163 225 A CA 1.640 53.584 52.037 -0.156 0.000 0.646 225 A CB -0.486 18.391 19.000 -0.206 0.000 0.806 225 A HN 0.355 nan 8.150 nan 0.000 0.448 226 V N -1.872 118.010 119.914 -0.054 0.000 3.177 226 V HA 0.182 4.302 4.120 0.000 0.000 0.342 226 V C 1.344 177.435 176.094 -0.006 0.000 1.379 226 V CA 0.724 63.070 62.300 0.075 0.000 1.191 226 V CB -0.677 31.257 31.823 0.185 0.000 1.167 226 V HN 0.533 nan 8.190 nan 0.000 0.471 227 S N 1.594 117.224 115.700 -0.116 0.000 2.561 227 S HA -0.081 4.389 4.470 0.000 0.000 0.225 227 S C 1.783 176.273 174.600 -0.182 0.000 0.977 227 S CA 0.622 58.758 58.200 -0.107 0.000 0.926 227 S CB -0.537 62.599 63.200 -0.106 0.000 0.769 227 S HN 0.854 nan 8.310 nan 0.000 0.533 228 R N -0.337 119.920 120.500 -0.404 0.000 2.313 228 R HA 0.200 4.541 4.340 0.000 0.000 0.199 228 R C -0.151 175.748 176.300 -0.669 0.000 0.958 228 R CA 0.406 56.171 56.100 -0.557 0.000 1.047 228 R CB -0.520 29.335 30.300 -0.741 0.000 0.955 228 R HN 0.502 nan 8.270 nan 0.000 0.481 229 F N 0.441 120.387 119.950 -0.007 0.000 2.775 229 F HA 0.421 4.948 4.527 0.000 0.000 0.313 229 F C 0.897 176.695 175.800 -0.003 0.000 1.121 229 F CA -0.866 57.132 58.000 -0.004 0.000 1.206 229 F CB 0.905 39.900 39.000 -0.008 0.000 1.052 229 F HN 0.169 nan 8.300 nan 0.000 0.524 230 G N 1.021 109.863 108.800 0.071 0.000 2.350 230 G HA2 -0.223 3.737 3.960 0.000 0.000 0.298 230 G HA3 -0.223 3.737 3.960 0.000 0.000 0.298 230 G C 1.264 176.201 174.900 0.062 0.000 1.037 230 G CA 0.317 45.447 45.100 0.050 0.000 1.074 230 G HN 0.728 nan 8.290 nan 0.000 0.511 231 G N 0.397 109.233 108.800 0.059 0.000 2.464 231 G HA2 0.040 4.001 3.960 0.000 0.000 0.217 231 G HA3 0.040 4.001 3.960 0.000 0.000 0.217 231 G C 1.435 176.356 174.900 0.035 0.000 1.138 231 G CA 1.086 46.221 45.100 0.060 0.000 0.793 231 G HN 0.828 nan 8.290 nan 0.000 0.539 232 E N 1.147 121.353 120.200 0.009 0.000 2.463 232 E HA -0.138 4.212 4.350 0.000 0.000 0.201 232 E C 1.017 177.627 176.600 0.017 0.000 1.045 232 E CA 0.291 56.694 56.400 0.005 0.000 0.872 232 E CB -0.270 29.418 29.700 -0.020 0.000 0.797 232 E HN 0.299 nan 8.360 nan 0.000 0.538 233 R N 1.432 121.944 120.500 0.021 0.000 4.680 233 R HA 0.112 4.452 4.340 0.000 0.000 0.222 233 R C 1.013 177.328 176.300 0.025 0.000 1.803 233 R CA -0.070 56.039 56.100 0.016 0.000 1.560 233 R CB 0.072 30.382 30.300 0.017 0.000 1.412 233 R HN 0.274 nan 8.270 nan 0.000 0.815 234 E N 0.739 120.958 120.200 0.032 0.000 2.049 234 E HA -0.278 4.073 4.350 0.000 0.000 0.198 234 E C 1.483 178.092 176.600 0.014 0.000 1.007 234 E CA 1.306 57.736 56.400 0.050 0.000 0.809 234 E CB -0.082 29.662 29.700 0.073 0.000 0.749 234 E HN 0.447 nan 8.360 nan 0.000 0.450 235 L N 0.718 121.924 121.223 -0.028 0.000 2.043 235 L HA -0.244 4.096 4.340 0.000 0.000 0.212 235 L C 2.602 179.465 176.870 -0.012 0.000 1.075 235 L CA 1.258 56.077 54.840 -0.035 0.000 0.752 235 L CB -0.272 41.754 42.059 -0.056 0.000 0.891 235 L HN 0.118 nan 8.230 nan 0.000 0.432 236 E N -0.519 119.679 120.200 -0.003 0.000 2.208 236 E HA -0.168 4.183 4.350 0.000 0.000 0.193 236 E C 2.141 178.750 176.600 0.015 0.000 0.988 236 E CA 0.769 57.172 56.400 0.004 0.000 0.828 236 E CB 0.072 29.775 29.700 0.005 0.000 0.763 236 E HN 0.300 nan 8.360 nan 0.000 0.478 237 Q N -0.338 119.477 119.800 0.025 0.000 2.436 237 Q HA -0.012 4.328 4.340 0.000 0.000 0.209 237 Q C 1.935 177.957 176.000 0.036 0.000 0.965 237 Q CA 0.599 56.424 55.803 0.036 0.000 0.910 237 Q CB 0.229 28.998 28.738 0.052 0.000 0.980 237 Q HN 0.459 nan 8.270 nan 0.000 0.491 238 I N -0.403 120.185 120.570 0.030 0.000 2.339 238 I HA -0.112 4.059 4.170 0.000 0.000 0.245 238 I C 2.082 178.210 176.117 0.020 0.000 1.096 238 I CA 0.790 62.108 61.300 0.030 0.000 1.408 238 I CB -0.231 37.781 38.000 0.020 0.000 1.092 238 I HN -0.018 nan 8.210 nan 0.000 0.423 239 A N -0.685 122.141 122.820 0.011 0.000 2.119 239 A HA -0.107 4.214 4.320 0.000 0.000 0.216 239 A C 0.535 178.125 177.584 0.010 0.000 1.152 239 A CA 1.167 53.209 52.037 0.008 0.000 0.708 239 A CB -0.078 18.923 19.000 0.001 0.000 0.805 239 A HN 0.405 nan 8.150 nan 0.000 0.460 240 D N -1.085 119.323 120.400 0.013 0.000 2.445 240 D HA 0.114 4.754 4.640 0.000 0.000 0.236 240 D C -0.484 175.825 176.300 0.015 0.000 1.315 240 D CA -0.416 53.591 54.000 0.013 0.000 0.924 240 D CB 0.075 40.881 40.800 0.010 0.000 1.447 240 D HN 0.225 nan 8.370 nan 0.000 0.532 241 R N 1.305 121.814 120.500 0.016 0.000 2.523 241 R HA 0.392 4.733 4.340 0.000 0.000 0.281 241 R C 0.328 176.632 176.300 0.006 0.000 0.969 241 R CA 0.698 56.807 56.100 0.015 0.000 1.093 241 R CB 0.359 30.667 30.300 0.014 0.000 0.917 241 R HN 0.412 nan 8.270 nan 0.000 0.408 242 G N 0.938 109.740 108.800 0.005 0.000 3.042 242 G HA2 0.168 4.129 3.960 0.000 0.000 0.278 242 G HA3 0.168 4.129 3.960 0.000 0.000 0.278 242 G C 0.365 175.238 174.900 -0.045 0.000 1.371 242 G CA -0.426 44.668 45.100 -0.009 0.000 1.009 242 G HN 0.558 nan 8.290 nan 0.000 0.523 243 T N 0.874 115.368 114.554 -0.100 0.000 2.881 243 T HA -0.073 4.277 4.350 0.000 0.000 0.270 243 T C 2.664 177.235 174.700 -0.215 0.000 1.068 243 T CA 1.797 63.762 62.100 -0.225 0.000 1.131 243 T CB -0.290 68.310 68.868 -0.447 0.000 0.871 243 T HN 0.667 nan 8.240 nan 0.000 0.479 244 A N 1.593 124.376 122.820 -0.062 0.000 1.908 244 A HA 0.091 4.411 4.320 0.000 0.000 0.218 244 A C 2.614 180.222 177.584 0.040 0.000 1.181 244 A CA 1.837 53.924 52.037 0.083 0.000 0.627 244 A CB -1.011 18.083 19.000 0.156 0.000 0.818 244 A HN 0.547 nan 8.150 nan 0.000 0.445 245 A N -0.731 122.100 122.820 0.019 0.000 2.067 245 A HA 0.010 4.330 4.320 0.000 0.000 0.217 245 A C 1.870 179.453 177.584 -0.002 0.000 1.156 245 A CA 1.176 53.229 52.037 0.027 0.000 0.683 245 A CB -0.259 18.761 19.000 0.034 0.000 0.808 245 A HN 0.637 nan 8.150 nan 0.000 0.455 246 E N -0.177 119.996 120.200 -0.046 0.000 2.086 246 E HA -0.071 4.279 4.350 0.000 0.000 0.190 246 E C 2.184 178.713 176.600 -0.118 0.000 0.975 246 E CA 0.513 56.868 56.400 -0.075 0.000 0.813 246 E CB -0.148 29.499 29.700 -0.089 0.000 0.768 246 E HN 0.528 nan 8.360 nan 0.000 0.457 247 R N 1.064 121.481 120.500 -0.138 0.000 2.075 247 R HA -0.020 4.320 4.340 0.000 0.000 0.232 247 R C 2.457 178.710 176.300 -0.079 0.000 1.126 247 R CA 1.034 57.041 56.100 -0.154 0.000 0.963 247 R CB -0.392 29.823 30.300 -0.142 0.000 0.858 247 R HN 0.070 nan 8.270 nan 0.000 0.435 248 A N 1.690 124.509 122.820 -0.001 0.000 1.917 248 A HA -0.182 4.139 4.320 0.000 0.000 0.219 248 A C 2.412 180.093 177.584 0.161 0.000 1.182 248 A CA 1.943 54.033 52.037 0.088 0.000 0.633 248 A CB -0.633 18.426 19.000 0.099 0.000 0.819 248 A HN 0.416 nan 8.150 nan 0.000 0.448 249 A N -0.520 122.337 122.820 0.062 0.000 1.872 249 A HA 0.066 4.387 4.320 0.000 0.000 0.214 249 A C 2.122 179.678 177.584 -0.048 0.000 1.187 249 A CA 1.331 53.400 52.037 0.053 0.000 0.614 249 A CB -0.558 18.446 19.000 0.008 0.000 0.826 249 A HN 0.455 nan 8.150 nan 0.000 0.442 250 L N -1.667 119.412 121.223 -0.241 0.000 2.201 250 L HA -0.120 4.220 4.340 0.000 0.000 0.212 250 L C 2.396 178.812 176.870 -0.758 0.000 1.105 250 L CA 1.148 55.598 54.840 -0.650 0.000 0.775 250 L CB -0.477 41.034 42.059 -0.914 0.000 0.913 250 L HN 0.556 nan 8.230 nan 0.000 0.440 251 F N 0.018 119.663 119.950 -0.508 0.000 2.102 251 F HA -0.227 4.300 4.527 0.000 0.000 0.298 251 F C 1.915 177.459 175.800 -0.427 0.000 1.105 251 F CA 1.569 59.274 58.000 -0.491 0.000 1.239 251 F CB -0.351 38.321 39.000 -0.547 0.000 0.991 251 F HN -0.034 nan 8.300 nan 0.000 0.474 252 W N 0.226 121.468 121.300 -0.098 0.000 2.584 252 W HA 0.028 4.688 4.660 0.000 0.000 0.264 252 W C 2.573 178.999 176.519 -0.156 0.000 1.264 252 W CA 0.723 57.982 57.345 -0.144 0.000 1.306 252 W CB -0.365 29.062 29.460 -0.055 0.000 1.110 252 W HN -0.081 nan 8.180 nan 0.000 0.606 253 R N -0.239 120.275 120.500 0.023 0.000 2.075 253 R HA -0.139 4.202 4.340 0.000 0.000 0.232 253 R C 1.707 178.120 176.300 0.189 0.000 1.126 253 R CA 1.734 57.880 56.100 0.077 0.000 0.963 253 R CB -0.725 29.571 30.300 -0.006 0.000 0.858 253 R HN 0.074 nan 8.270 nan 0.000 0.435 254 W N -0.198 121.036 121.300 -0.110 0.000 2.584 254 W HA 0.154 4.814 4.660 0.000 0.000 0.264 254 W C 1.710 178.107 176.519 -0.203 0.000 1.264 254 W CA 0.775 58.030 57.345 -0.150 0.000 1.306 254 W CB -0.766 28.581 29.460 -0.187 0.000 1.110 254 W HN 0.108 nan 8.180 nan 0.000 0.606 255 T N 0.481 114.980 114.554 -0.093 0.000 2.901 255 T HA -0.035 4.315 4.350 0.000 0.000 0.252 255 T C 1.623 176.340 174.700 0.028 0.000 1.035 255 T CA 1.436 63.441 62.100 -0.159 0.000 1.142 255 T CB -0.125 68.464 68.868 -0.466 0.000 0.869 255 T HN 0.126 nan 8.240 nan 0.000 0.442 256 M N -0.438 119.237 119.600 0.124 0.000 2.416 256 M HA 0.552 5.032 4.480 0.000 0.000 0.337 256 M C 1.154 177.587 176.300 0.223 0.000 1.074 256 M CA -0.125 55.286 55.300 0.185 0.000 0.968 256 M CB 0.379 33.130 32.600 0.251 0.000 1.472 256 M HN 0.199 nan 8.290 nan 0.000 0.539 257 G N 2.648 111.565 108.800 0.196 0.000 2.296 257 G HA2 -0.321 3.639 3.960 0.000 0.000 0.282 257 G HA3 -0.321 3.639 3.960 0.000 0.000 0.282 257 G C -0.311 174.762 174.900 0.289 0.000 1.014 257 G CA 1.068 46.294 45.100 0.209 0.000 0.812 257 G HN 0.783 nan 8.290 nan 0.000 0.508 258 F N 0.298 120.302 119.950 0.092 0.000 2.601 258 F HA 0.631 5.159 4.527 0.000 0.000 0.309 258 F C -0.698 175.151 175.800 0.081 0.000 1.089 258 F CA -0.752 57.292 58.000 0.073 0.000 0.940 258 F CB 1.714 40.741 39.000 0.046 0.000 1.273 258 F HN 0.374 nan 8.300 nan 0.000 0.450 259 N N 3.557 122.257 118.700 0.000 0.000 3.179 259 N HA 0.752 5.493 4.740 0.000 0.000 0.250 259 N C -2.145 173.310 175.510 -0.092 0.000 1.507 259 N CA -0.323 52.614 53.050 -0.188 0.000 0.883 259 N CB 1.382 39.877 38.487 0.012 0.000 1.435 259 N HN 0.917 nan 8.380 nan 0.000 0.532 260 A N -0.834 121.939 122.820 -0.079 0.000 2.486 260 A HA 0.901 5.221 4.320 0.000 0.000 0.277 260 A C -0.437 177.187 177.584 0.067 0.000 1.282 260 A CA -0.028 52.037 52.037 0.047 0.000 0.784 260 A CB 0.558 19.578 19.000 0.034 0.000 1.350 260 A HN 1.185 nan 8.150 nan 0.000 0.454 261 T N -3.169 111.443 114.554 0.097 0.000 2.950 261 T HA 0.452 4.802 4.350 0.000 0.000 0.288 261 T C 0.888 175.642 174.700 0.090 0.000 1.035 261 T CA -0.096 62.055 62.100 0.084 0.000 1.028 261 T CB 1.022 69.942 68.868 0.085 0.000 1.109 261 T HN 0.531 nan 8.240 nan 0.000 0.514 262 M N 0.444 120.102 119.600 0.098 0.000 2.202 262 M HA -0.037 4.443 4.480 0.000 0.000 0.262 262 M C 2.018 178.440 176.300 0.203 0.000 1.063 262 M CA 1.778 57.161 55.300 0.139 0.000 1.097 262 M CB -0.749 31.925 32.600 0.124 0.000 1.382 262 M HN 0.910 nan 8.290 nan 0.000 0.413 263 E N -1.716 118.579 120.200 0.157 0.000 2.166 263 E HA -0.005 4.346 4.350 0.000 0.000 0.192 263 E C 1.987 178.683 176.600 0.160 0.000 0.967 263 E CA 0.786 57.294 56.400 0.179 0.000 0.840 263 E CB -0.398 29.357 29.700 0.091 0.000 0.795 263 E HN 0.541 nan 8.360 nan 0.000 0.470 264 G N 1.786 110.655 108.800 0.116 0.000 2.442 264 G HA2 -0.277 3.683 3.960 0.000 0.000 0.219 264 G HA3 -0.277 3.683 3.960 0.000 0.000 0.219 264 G C 1.523 176.514 174.900 0.152 0.000 1.141 264 G CA 0.880 46.046 45.100 0.110 0.000 0.763 264 G HN 0.355 nan 8.290 nan 0.000 0.554 265 I N 0.403 121.022 120.570 0.082 0.000 2.567 265 I HA -0.086 4.084 4.170 0.000 0.000 0.257 265 I C 2.191 178.152 176.117 -0.259 0.000 1.184 265 I CA 1.046 62.317 61.300 -0.049 0.000 1.451 265 I CB -0.268 37.557 38.000 -0.291 0.000 1.089 265 I HN 0.290 nan 8.210 nan 0.000 0.441 266 H N -0.717 118.324 119.070 -0.049 0.000 2.535 266 H HA 0.148 4.704 4.556 0.000 0.000 0.273 266 H C 2.193 177.500 175.328 -0.036 0.000 0.983 266 H CA 0.661 56.642 56.048 -0.111 0.000 1.238 266 H CB 0.041 29.732 29.762 -0.119 0.000 1.412 266 H HN 0.244 nan 8.280 nan 0.000 0.562 267 R N -0.498 120.059 120.500 0.095 0.000 2.075 267 R HA -0.108 4.233 4.340 0.000 0.000 0.226 267 R C 1.463 177.854 176.300 0.152 0.000 1.114 267 R CA 1.193 57.356 56.100 0.105 0.000 0.972 267 R CB -0.262 30.068 30.300 0.050 0.000 0.869 267 R HN 0.371 nan 8.270 nan 0.000 0.437 268 W N 1.149 122.480 121.300 0.051 0.000 2.333 268 W HA -0.196 4.464 4.660 0.000 0.000 0.316 268 W C 2.631 179.147 176.519 -0.005 0.000 1.215 268 W CA 1.376 58.740 57.345 0.033 0.000 1.278 268 W CB -0.422 28.998 29.460 -0.066 0.000 1.154 268 W HN 0.175 nan 8.180 nan 0.000 0.486 269 A N 0.257 123.151 122.820 0.124 0.000 1.859 269 A HA -0.272 4.048 4.320 0.000 0.000 0.217 269 A C 1.932 179.502 177.584 -0.024 0.000 1.198 269 A CA 1.989 53.996 52.037 -0.049 0.000 0.629 269 A CB -1.224 17.620 19.000 -0.259 0.000 0.830 269 A HN 0.390 nan 8.150 nan 0.000 0.446 270 I N -2.306 118.242 120.570 -0.036 0.000 2.361 270 I HA -0.258 3.912 4.170 0.000 0.000 0.251 270 I C 2.221 178.247 176.117 -0.152 0.000 1.133 270 I CA 1.397 62.628 61.300 -0.115 0.000 1.413 270 I CB -0.085 37.811 38.000 -0.173 0.000 1.073 270 I HN 0.630 nan 8.210 nan 0.000 0.424 271 W N -0.233 121.050 121.300 -0.029 0.000 2.443 271 W HA -0.151 4.510 4.660 0.000 0.000 0.296 271 W C 2.445 178.890 176.519 -0.122 0.000 1.202 271 W CA 0.602 57.901 57.345 -0.077 0.000 1.312 271 W CB -0.231 29.166 29.460 -0.106 0.000 1.120 271 W HN 0.127 nan 8.180 nan 0.000 0.536 272 M N 1.280 121.000 119.600 0.200 0.000 2.082 272 M HA -0.205 4.275 4.480 0.000 0.000 0.258 272 M C 2.123 178.446 176.300 0.039 0.000 1.071 272 M CA 2.666 58.036 55.300 0.117 0.000 1.103 272 M CB -1.040 31.675 32.600 0.191 0.000 1.307 272 M HN -0.036 nan 8.290 nan 0.000 0.409 273 A N -1.122 121.730 122.820 0.054 0.000 1.858 273 A HA -0.112 4.208 4.320 0.000 0.000 0.216 273 A C 2.275 179.879 177.584 0.034 0.000 1.190 273 A CA 1.967 54.037 52.037 0.054 0.000 0.617 273 A CB -1.450 17.569 19.000 0.030 0.000 0.827 273 A HN 0.410 nan 8.150 nan 0.000 0.443 274 V N 0.158 120.068 119.914 -0.008 0.000 2.469 274 V HA -0.233 3.887 4.120 0.000 0.000 0.251 274 V C 2.425 178.536 176.094 0.028 0.000 1.064 274 V CA 1.926 64.220 62.300 -0.010 0.000 1.066 274 V CB -0.497 31.238 31.823 -0.146 0.000 0.667 274 V HN 0.580 nan 8.190 nan 0.000 0.461 275 L N -1.224 119.967 121.223 -0.053 0.000 2.362 275 L HA -0.098 4.242 4.340 0.000 0.000 0.219 275 L C 2.288 179.170 176.870 0.020 0.000 1.134 275 L CA 0.482 55.212 54.840 -0.183 0.000 0.807 275 L CB -0.397 41.116 42.059 -0.909 0.000 0.927 275 L HN 0.214 nan 8.230 nan 0.000 0.447 276 V N 0.143 120.126 119.914 0.115 0.000 2.237 276 V HA -0.306 3.814 4.120 0.000 0.000 0.245 276 V C 2.655 178.871 176.094 0.203 0.000 1.046 276 V CA 2.613 65.054 62.300 0.236 0.000 1.007 276 V CB -0.787 31.144 31.823 0.180 0.000 0.638 276 V HN 0.657 nan 8.190 nan 0.000 0.445 277 T N -1.734 112.927 114.554 0.177 0.000 3.023 277 T HA -0.063 4.288 4.350 0.000 0.000 0.266 277 T C 1.806 176.695 174.700 0.315 0.000 1.093 277 T CA 1.092 63.311 62.100 0.198 0.000 1.129 277 T CB -0.220 68.756 68.868 0.180 0.000 0.899 277 T HN 0.243 nan 8.240 nan 0.000 0.491 278 L N 2.069 123.468 121.223 0.293 0.000 2.005 278 L HA 0.009 4.349 4.340 0.000 0.000 0.207 278 L C 2.531 179.619 176.870 0.363 0.000 1.072 278 L CA 1.961 56.995 54.840 0.323 0.000 0.744 278 L CB -1.173 40.986 42.059 0.166 0.000 0.895 278 L HN 0.219 nan 8.230 nan 0.000 0.433 279 T N -0.816 113.932 114.554 0.322 0.000 2.857 279 T HA -0.030 4.320 4.350 0.000 0.000 0.266 279 T C 1.688 176.555 174.700 0.278 0.000 1.048 279 T CA 0.977 63.297 62.100 0.365 0.000 1.139 279 T CB -0.792 68.362 68.868 0.477 0.000 0.874 279 T HN 0.562 nan 8.240 nan 0.000 0.455 280 G N 1.138 110.070 108.800 0.221 0.000 2.408 280 G HA2 -0.013 3.948 3.960 0.000 0.000 0.217 280 G HA3 -0.013 3.948 3.960 0.000 0.000 0.217 280 G C 1.725 176.652 174.900 0.045 0.000 1.150 280 G CA 0.833 46.005 45.100 0.119 0.000 0.776 280 G HN 0.547 nan 8.290 nan 0.000 0.542 281 G N 1.165 110.004 108.800 0.065 0.000 2.446 281 G HA2 -0.205 3.756 3.960 0.000 0.000 0.217 281 G HA3 -0.205 3.756 3.960 0.000 0.000 0.217 281 G C 1.763 176.624 174.900 -0.065 0.000 1.168 281 G CA 0.889 45.837 45.100 -0.254 0.000 0.771 281 G HN 0.436 nan 8.290 nan 0.000 0.551 282 I N 1.208 121.886 120.570 0.181 0.000 2.142 282 I HA -0.113 4.057 4.170 0.000 0.000 0.240 282 I C 3.165 179.148 176.117 -0.224 0.000 1.078 282 I CA 1.084 62.342 61.300 -0.069 0.000 1.343 282 I CB -0.757 36.960 38.000 -0.473 0.000 1.046 282 I HN 0.261 nan 8.210 nan 0.000 0.405 283 G N 1.649 110.333 108.800 -0.194 0.000 2.513 283 G HA2 -0.253 3.707 3.960 0.000 0.000 0.219 283 G HA3 -0.253 3.707 3.960 0.000 0.000 0.219 283 G C 1.541 176.465 174.900 0.041 0.000 1.160 283 G CA 0.774 45.856 45.100 -0.029 0.000 0.767 283 G HN 0.222 nan 8.290 nan 0.000 0.571 284 I N 0.257 120.831 120.570 0.007 0.000 2.439 284 I HA 0.010 4.180 4.170 0.000 0.000 0.251 284 I C 2.550 178.714 176.117 0.078 0.000 1.139 284 I CA 0.463 61.780 61.300 0.029 0.000 1.438 284 I CB -0.986 36.942 38.000 -0.120 0.000 1.085 284 I HN 0.142 nan 8.210 nan 0.000 0.427 285 L N 0.672 121.895 121.223 0.000 0.000 2.141 285 L HA -0.064 4.276 4.340 0.000 0.000 0.209 285 L C 2.053 178.982 176.870 0.099 0.000 1.094 285 L CA 1.662 56.518 54.840 0.025 0.000 0.763 285 L CB -0.428 41.638 42.059 0.012 0.000 0.908 285 L HN 0.124 nan 8.230 nan 0.000 0.437 286 L N -1.306 120.001 121.223 0.139 0.000 2.591 286 L HA 0.103 4.443 4.340 0.000 0.000 0.228 286 L C 0.566 177.597 176.870 0.269 0.000 1.133 286 L CA -0.137 54.819 54.840 0.194 0.000 0.880 286 L CB -0.269 41.940 42.059 0.249 0.000 1.033 286 L HN 0.031 nan 8.230 nan 0.000 0.450 287 S N 0.154 116.047 115.700 0.322 0.000 2.411 287 S HA 0.490 4.960 4.470 0.000 0.000 0.294 287 S C 0.980 175.716 174.600 0.227 0.000 1.115 287 S CA 0.281 58.676 58.200 0.325 0.000 1.071 287 S CB 1.241 64.616 63.200 0.291 0.000 0.967 287 S HN 0.521 nan 8.310 nan 0.000 0.488 288 G N 2.829 111.774 108.800 0.240 0.000 2.213 288 G HA2 -0.323 3.637 3.960 0.000 0.000 0.236 288 G HA3 -0.323 3.637 3.960 0.000 0.000 0.236 288 G C 0.885 175.819 174.900 0.057 0.000 0.991 288 G CA 0.787 45.989 45.100 0.170 0.000 0.629 288 G HN 0.801 nan 8.290 nan 0.000 0.517 289 T N -3.253 111.336 114.554 0.058 0.000 3.071 289 T HA 0.471 4.821 4.350 0.000 0.000 0.239 289 T C 2.015 176.718 174.700 0.004 0.000 0.997 289 T CA 1.644 63.761 62.100 0.029 0.000 1.134 289 T CB 0.270 69.167 68.868 0.047 0.000 0.928 289 T HN 0.518 nan 8.240 nan 0.000 0.453 290 V N 0.582 120.495 119.914 -0.002 0.000 2.911 290 V HA 0.393 4.513 4.120 0.000 0.000 0.237 290 V C 0.577 176.607 176.094 -0.107 0.000 1.156 290 V CA 0.056 62.341 62.300 -0.025 0.000 1.180 290 V CB 0.982 32.812 31.823 0.011 0.000 0.932 290 V HN 0.314 nan 8.190 nan 0.000 0.483 291 V N 1.229 121.007 119.914 -0.227 0.000 2.435 291 V HA 0.338 4.458 4.120 0.000 0.000 0.290 291 V C 0.625 176.489 176.094 -0.384 0.000 1.030 291 V CA 0.001 62.002 62.300 -0.498 0.000 0.881 291 V CB 1.560 32.590 31.823 -1.321 0.000 0.983 291 V HN 0.419 nan 8.190 nan 0.000 0.445 292 D N 3.319 123.530 120.400 -0.316 0.000 2.388 292 D HA 0.036 4.676 4.640 0.000 0.000 0.208 292 D C 0.457 176.592 176.300 -0.274 0.000 1.035 292 D CA 0.614 54.464 54.000 -0.250 0.000 0.875 292 D CB 0.427 41.117 40.800 -0.183 0.000 0.984 292 D HN 0.508 nan 8.370 nan 0.000 0.508 293 N N -0.116 118.416 118.700 -0.279 0.000 2.572 293 N HA 0.015 4.755 4.740 0.000 0.000 0.287 293 N C -0.359 175.084 175.510 -0.110 0.000 1.136 293 N CA -0.362 52.608 53.050 -0.134 0.000 0.900 293 N CB 0.198 38.656 38.487 -0.049 0.000 1.484 293 N HN -0.018 nan 8.380 nan 0.000 0.526 294 W N 1.974 123.385 121.300 0.185 0.000 2.425 294 W HA -0.085 4.575 4.660 0.000 0.000 0.277 294 W C 1.780 178.445 176.519 0.243 0.000 1.231 294 W CA 0.414 57.911 57.345 0.254 0.000 1.248 294 W CB -0.176 29.442 29.460 0.264 0.000 1.117 294 W HN 0.675 nan 8.180 nan 0.000 0.568 295 Y N 0.551 120.936 120.300 0.141 0.000 2.163 295 Y HA -0.253 4.297 4.550 0.000 0.000 0.288 295 Y C 2.190 177.984 175.900 -0.177 0.000 1.136 295 Y CA 1.969 59.889 58.100 -0.300 0.000 1.147 295 Y CB -0.845 37.431 38.460 -0.307 0.000 0.987 295 Y HN -0.214 nan 8.280 nan 0.000 0.509 296 V N -0.577 119.270 119.914 -0.112 0.000 2.261 296 V HA -0.308 3.812 4.120 0.000 0.000 0.246 296 V C 2.123 178.099 176.094 -0.197 0.000 1.047 296 V CA 2.034 64.211 62.300 -0.205 0.000 1.015 296 V CB -1.242 30.543 31.823 -0.063 0.000 0.642 296 V HN 0.711 nan 8.190 nan 0.000 0.446 297 W N 1.506 122.661 121.300 -0.242 0.000 2.321 297 W HA -0.168 4.492 4.660 0.000 0.000 0.306 297 W C 2.311 178.656 176.519 -0.290 0.000 1.217 297 W CA 2.056 59.266 57.345 -0.225 0.000 1.257 297 W CB -0.703 28.606 29.460 -0.253 0.000 1.145 297 W HN 0.261 nan 8.180 nan 0.000 0.509 298 G N -0.235 108.539 108.800 -0.044 0.000 2.462 298 G HA2 -0.287 3.673 3.960 0.000 0.000 0.220 298 G HA3 -0.287 3.673 3.960 0.000 0.000 0.220 298 G C 1.420 175.906 174.900 -0.689 0.000 1.121 298 G CA 1.029 45.926 45.100 -0.338 0.000 0.758 298 G HN 0.291 nan 8.290 nan 0.000 0.559 299 Q N 0.463 119.916 119.800 -0.579 0.000 2.049 299 Q HA -0.022 4.318 4.340 0.000 0.000 0.198 299 Q C 2.362 178.146 176.000 -0.360 0.000 0.971 299 Q CA 1.145 56.671 55.803 -0.463 0.000 0.833 299 Q CB -0.275 28.190 28.738 -0.455 0.000 0.896 299 Q HN 0.591 nan 8.270 nan 0.000 0.434 300 N N -0.913 117.543 118.700 -0.407 0.000 2.413 300 N HA -0.040 4.700 4.740 0.000 0.000 0.193 300 N C 0.047 175.443 175.510 -0.191 0.000 1.043 300 N CA 0.699 53.604 53.050 -0.240 0.000 0.910 300 N CB 0.184 38.541 38.487 -0.218 0.000 1.111 300 N HN 0.306 nan 8.380 nan 0.000 0.452 301 H N -1.621 116.969 119.070 -0.800 0.000 3.432 301 H HA -0.037 4.519 4.556 0.000 0.000 0.178 301 H C 0.372 175.309 175.328 -0.652 0.000 0.951 301 H CA 0.521 55.813 56.048 -1.259 0.000 1.196 301 H CB -1.363 27.951 29.762 -0.746 0.000 1.015 301 H HN 0.395 nan 8.280 nan 0.000 0.378 302 G N 0.000 108.627 108.800 -0.288 0.000 5.446 302 G HA2 0.000 3.960 3.960 0.000 0.000 0.244 302 G HA3 0.000 3.960 3.960 0.000 0.000 0.244 302 G CA 0.000 45.072 45.100 -0.046 0.000 0.502 302 G HN 0.000 nan 8.290 nan 0.000 0.925