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 1k6l_1_M DATA FIRST_RESID 1 DATA SEQUENCE AEYQNIFSQV QVRGPADLGM TEDVNLANRS GVGPFSTLLG WFGNAQLGPI DATA SEQUENCE YLGSLGVLSL FSGLMWFFTI GIWFWYQAGW NPAVFLRDLF FFSLEPPAPE DATA SEQUENCE YGLSFAAPLK EGGLWLIASF FMFVAVWSWW GRTYLRAQAL GMGKHTAWAF DATA SEQUENCE LSAIWLWMVL GFIRPILMGS WSEAVPYGIF SHLDWTNNFS LVHGNLFYNP DATA SEQUENCE FHGLSIAFLY GSALLFAMHG ATILAVSRFG GERELEQIAD RGTAAERAAL DATA SEQUENCE FWRWTMGFNA TMEGIHRWAI WMAVLVTLTG GIGILLSGTV VDNWYVWGQN DATA SEQUENCE HG VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.614 177.584 0.050 0.000 1.274 1 A CA 0.000 52.057 52.037 0.033 0.000 0.836 1 A CB 0.000 19.017 19.000 0.028 0.000 0.831 2 E N 0.066 120.293 120.200 0.045 0.000 2.374 2 E HA 0.373 4.723 4.350 0.000 0.000 0.260 2 E C -1.044 175.619 176.600 0.105 0.000 1.101 2 E CA -0.341 56.095 56.400 0.061 0.000 0.907 2 E CB 0.527 30.239 29.700 0.021 0.000 1.014 2 E HN 0.661 nan 8.360 nan 0.000 0.427 3 Y N 2.355 122.647 120.300 -0.012 0.000 2.309 3 Y HA 0.046 4.597 4.550 0.000 0.000 0.327 3 Y C 0.603 176.492 175.900 -0.019 0.000 1.172 3 Y CA 0.135 58.233 58.100 -0.005 0.000 1.280 3 Y CB 1.133 39.591 38.460 -0.003 0.000 1.234 3 Y HN 0.519 nan 8.280 nan 0.000 0.512 4 Q N 2.862 122.229 119.800 -0.722 0.000 2.378 4 Q HA 0.008 4.348 4.340 0.000 0.000 0.229 4 Q C 0.161 175.722 176.000 -0.732 0.000 0.882 4 Q CA 0.525 55.995 55.803 -0.556 0.000 0.936 4 Q CB 0.186 28.767 28.738 -0.263 0.000 1.092 4 Q HN 0.887 nan 8.270 nan 0.000 0.535 5 N N 0.242 118.195 118.700 -1.247 0.000 2.780 5 N HA -0.149 4.592 4.740 0.000 0.000 0.248 5 N C 0.222 175.557 175.510 -0.292 0.000 1.102 5 N CA 0.242 52.908 53.050 -0.641 0.000 0.697 5 N CB -0.962 37.265 38.487 -0.433 0.000 1.028 5 N HN 0.190 nan 8.380 nan 0.000 0.554 6 I N -1.361 119.056 120.570 -0.254 0.000 2.731 6 I HA 0.117 4.287 4.170 0.000 0.000 0.260 6 I C 0.506 176.403 176.117 -0.367 0.000 1.138 6 I CA 1.037 62.134 61.300 -0.338 0.000 1.461 6 I CB -0.429 37.343 38.000 -0.379 0.000 1.128 6 I HN 0.060 nan 8.210 nan 0.000 0.438 7 F N 0.284 120.338 119.950 0.174 0.000 2.540 7 F HA 0.384 4.911 4.527 0.000 0.000 0.317 7 F C 0.844 176.853 175.800 0.349 0.000 1.104 7 F CA -0.843 57.327 58.000 0.282 0.000 0.913 7 F CB 1.273 40.413 39.000 0.234 0.000 1.170 7 F HN -0.333 nan 8.300 nan 0.000 0.450 8 S N 1.388 117.420 115.700 0.554 0.000 2.560 8 S HA 0.036 4.506 4.470 0.000 0.000 0.284 8 S C 0.861 175.723 174.600 0.435 0.000 1.327 8 S CA -0.451 58.004 58.200 0.424 0.000 1.055 8 S CB 0.650 64.039 63.200 0.316 0.000 0.868 8 S HN 0.757 nan 8.310 nan 0.000 0.506 9 Q N 0.478 120.400 119.800 0.203 0.000 2.282 9 Q HA 0.360 4.700 4.340 0.000 0.000 0.206 9 Q C -0.523 175.577 176.000 0.166 0.000 0.878 9 Q CA 0.029 55.910 55.803 0.131 0.000 0.944 9 Q CB 0.252 28.899 28.738 -0.152 0.000 1.100 9 Q HN 0.349 nan 8.270 nan 0.000 0.509 10 V N 1.475 121.471 119.914 0.136 0.000 2.789 10 V HA 0.204 4.325 4.120 0.000 0.000 0.300 10 V C -1.143 174.946 176.094 -0.007 0.000 1.184 10 V CA -0.791 61.546 62.300 0.062 0.000 0.930 10 V CB 2.025 33.856 31.823 0.014 0.000 1.041 10 V HN 0.185 nan 8.190 nan 0.000 0.430 11 Q N 2.392 122.134 119.800 -0.097 0.000 2.256 11 Q HA 0.755 5.095 4.340 0.000 0.000 0.257 11 Q C -1.203 174.741 176.000 -0.094 0.000 0.936 11 Q CA -0.553 55.159 55.803 -0.152 0.000 0.903 11 Q CB 2.825 31.367 28.738 -0.326 0.000 1.263 11 Q HN 0.552 nan 8.270 nan 0.000 0.440 12 V N 3.041 122.917 119.914 -0.064 0.000 2.656 12 V HA 0.537 4.657 4.120 0.000 0.000 0.307 12 V C -0.520 175.555 176.094 -0.031 0.000 1.051 12 V CA -0.640 61.633 62.300 -0.044 0.000 0.893 12 V CB 2.152 33.960 31.823 -0.025 0.000 0.999 12 V HN 0.671 nan 8.190 nan 0.000 0.426 13 R N 2.073 122.546 120.500 -0.045 0.000 2.795 13 R HA 0.828 5.168 4.340 0.000 0.000 0.275 13 R C -0.342 175.929 176.300 -0.049 0.000 0.981 13 R CA -0.151 55.925 56.100 -0.041 0.000 0.917 13 R CB 2.391 32.608 30.300 -0.139 0.000 1.202 13 R HN 0.902 nan 8.270 nan 0.000 0.469 14 G N 1.677 110.466 108.800 -0.017 0.000 2.827 14 G HA2 0.501 4.462 3.960 0.000 0.000 0.296 14 G HA3 0.501 4.462 3.960 0.000 0.000 0.296 14 G C -2.710 172.191 174.900 0.002 0.000 1.362 14 G CA -1.038 44.053 45.100 -0.016 0.000 0.809 14 G HN 0.469 nan 8.290 nan 0.000 0.522 15 P HA 0.390 nan 4.420 nan 0.000 0.264 15 P C 0.261 177.636 177.300 0.125 0.000 1.193 15 P CA 0.020 63.143 63.100 0.039 0.000 0.763 15 P CB 0.632 32.344 31.700 0.021 0.000 0.810 16 A N 3.092 126.042 122.820 0.217 0.000 2.591 16 A HA -0.065 4.256 4.320 0.000 0.000 0.244 16 A C 0.616 178.272 177.584 0.120 0.000 1.031 16 A CA 0.292 52.510 52.037 0.301 0.000 0.767 16 A CB -0.483 18.683 19.000 0.277 0.000 0.942 16 A HN 0.568 nan 8.150 nan 0.000 0.514 17 D N 2.584 123.027 120.400 0.072 0.000 2.325 17 D HA 0.246 4.886 4.640 0.000 0.000 0.251 17 D C 0.631 176.930 176.300 -0.002 0.000 1.196 17 D CA -0.022 53.991 54.000 0.023 0.000 0.866 17 D CB 0.633 41.436 40.800 0.005 0.000 1.101 17 D HN 0.488 nan 8.370 nan 0.000 0.476 18 L N 3.206 124.431 121.223 0.003 0.000 2.591 18 L HA 0.226 4.566 4.340 0.000 0.000 0.228 18 L C 1.448 178.312 176.870 -0.010 0.000 1.133 18 L CA 0.213 55.050 54.840 -0.005 0.000 0.880 18 L CB -0.472 41.588 42.059 0.001 0.000 1.033 18 L HN 0.627 nan 8.230 nan 0.000 0.450 19 G N 0.023 108.815 108.800 -0.012 0.000 2.846 19 G HA2 -0.209 3.751 3.960 0.000 0.000 0.660 19 G HA3 -0.209 3.751 3.960 0.000 0.000 0.660 19 G C -0.171 174.721 174.900 -0.015 0.000 1.464 19 G CA -0.938 44.151 45.100 -0.017 0.000 0.891 19 G HN -0.103 nan 8.290 nan 0.000 0.552 20 M N 0.072 119.660 119.600 -0.021 0.000 2.252 20 M HA 0.261 4.742 4.480 0.000 0.000 0.329 20 M C 1.032 177.322 176.300 -0.017 0.000 1.101 20 M CA 0.795 56.083 55.300 -0.021 0.000 1.117 20 M CB -0.217 32.364 32.600 -0.031 0.000 1.563 20 M HN 0.580 nan 8.290 nan 0.000 0.445 21 T N 2.386 116.932 114.554 -0.014 0.000 3.427 21 T HA 0.213 4.564 4.350 0.000 0.000 0.306 21 T C 0.852 175.545 174.700 -0.012 0.000 1.733 21 T CA -0.576 61.520 62.100 -0.007 0.000 1.599 21 T CB 0.633 69.499 68.868 -0.004 0.000 0.964 21 T HN 0.402 nan 8.240 nan 0.000 0.701 22 E N 1.886 122.074 120.200 -0.021 0.000 2.408 22 E HA 0.001 4.351 4.350 0.000 0.000 0.289 22 E C 0.720 177.308 176.600 -0.019 0.000 0.770 22 E CA 0.608 56.993 56.400 -0.026 0.000 1.717 22 E CB 0.071 29.747 29.700 -0.041 0.000 1.271 22 E HN 0.294 nan 8.360 nan 0.000 0.567 23 D N 0.287 120.671 120.400 -0.026 0.000 2.340 23 D HA 0.099 4.739 4.640 0.000 0.000 0.217 23 D C -0.209 176.088 176.300 -0.006 0.000 1.081 23 D CA -0.032 53.958 54.000 -0.017 0.000 0.842 23 D CB 0.417 41.203 40.800 -0.024 0.000 0.934 23 D HN -0.112 nan 8.370 nan 0.000 0.511 24 V N 2.212 122.124 119.914 -0.002 0.000 2.617 24 V HA -0.105 4.016 4.120 0.000 0.000 0.304 24 V C 0.931 177.085 176.094 0.100 0.000 1.040 24 V CA -0.230 62.098 62.300 0.046 0.000 1.149 24 V CB 0.388 32.248 31.823 0.061 0.000 0.914 24 V HN 0.140 nan 8.190 nan 0.000 0.487 25 N N 4.907 123.720 118.700 0.189 0.000 2.402 25 N HA 0.113 4.853 4.740 0.000 0.000 0.259 25 N C 0.687 176.243 175.510 0.077 0.000 1.167 25 N CA 0.133 53.260 53.050 0.127 0.000 0.949 25 N CB 0.544 39.113 38.487 0.136 0.000 1.212 25 N HN 0.640 nan 8.380 nan 0.000 0.493 26 L N 2.490 123.724 121.223 0.018 0.000 2.456 26 L HA -0.044 4.296 4.340 0.000 0.000 0.224 26 L C 2.055 178.876 176.870 -0.082 0.000 1.148 26 L CA 0.732 55.559 54.840 -0.021 0.000 0.825 26 L CB -0.273 41.778 42.059 -0.012 0.000 0.937 26 L HN 0.555 nan 8.230 nan 0.000 0.450 27 A N -0.187 122.578 122.820 -0.092 0.000 2.119 27 A HA -0.102 4.218 4.320 0.000 0.000 0.217 27 A C 1.962 179.427 177.584 -0.197 0.000 1.153 27 A CA 1.114 53.084 52.037 -0.112 0.000 0.692 27 A CB -0.257 18.695 19.000 -0.081 0.000 0.799 27 A HN 0.393 nan 8.150 nan 0.000 0.458 28 N N -0.450 118.044 118.700 -0.344 0.000 2.432 28 N HA 0.036 4.776 4.740 0.000 0.000 0.174 28 N C 0.539 175.667 175.510 -0.638 0.000 1.037 28 N CA 0.136 52.814 53.050 -0.619 0.000 0.892 28 N CB -0.057 37.715 38.487 -1.192 0.000 1.049 28 N HN 0.379 nan 8.380 nan 0.000 0.442 29 R N 1.350 121.561 120.500 -0.481 0.000 2.734 29 R HA 0.047 4.388 4.340 0.000 0.000 0.266 29 R C 1.082 177.290 176.300 -0.154 0.000 1.044 29 R CA 0.163 56.123 56.100 -0.232 0.000 1.128 29 R CB 0.577 30.831 30.300 -0.076 0.000 1.010 29 R HN 0.214 nan 8.270 nan 0.000 0.461 30 S N 0.583 116.227 115.700 -0.092 0.000 2.481 30 S HA 0.440 4.911 4.470 0.000 0.000 0.267 30 S C 0.445 175.018 174.600 -0.045 0.000 1.174 30 S CA -0.432 57.728 58.200 -0.066 0.000 1.027 30 S CB 0.990 64.163 63.200 -0.044 0.000 1.117 30 S HN 0.627 nan 8.310 nan 0.000 0.495 31 G N -0.290 108.492 108.800 -0.030 0.000 2.410 31 G HA2 0.538 4.498 3.960 0.000 0.000 0.330 31 G HA3 0.538 4.498 3.960 0.000 0.000 0.330 31 G C -0.531 174.361 174.900 -0.012 0.000 1.142 31 G CA -0.837 44.253 45.100 -0.016 0.000 0.902 31 G HN 0.756 nan 8.290 nan 0.000 0.491 32 V N 0.858 120.771 119.914 -0.002 0.000 2.814 32 V HA 0.288 4.408 4.120 0.000 0.000 0.307 32 V C 1.488 177.585 176.094 0.004 0.000 1.089 32 V CA 0.912 63.208 62.300 -0.006 0.000 1.212 32 V CB 0.604 32.448 31.823 0.035 0.000 0.912 32 V HN 0.932 nan 8.190 nan 0.000 0.497 33 G N 4.850 113.631 108.800 -0.033 0.000 2.537 33 G HA2 0.613 4.573 3.960 0.000 0.000 0.297 33 G HA3 0.613 4.573 3.960 0.000 0.000 0.297 33 G C -2.308 172.616 174.900 0.040 0.000 1.310 33 G CA -1.072 44.022 45.100 -0.009 0.000 1.027 33 G HN 0.638 nan 8.290 nan 0.000 0.505 34 P HA 0.187 nan 4.420 nan 0.000 0.278 34 P C -1.199 176.233 177.300 0.221 0.000 1.270 34 P CA -0.020 63.203 63.100 0.205 0.000 0.800 34 P CB 0.472 32.245 31.700 0.122 0.000 1.142 35 F N -1.313 118.628 119.950 -0.016 0.000 2.499 35 F HA 0.260 4.787 4.527 0.000 0.000 0.333 35 F C 0.784 176.569 175.800 -0.026 0.000 1.138 35 F CA -0.669 57.316 58.000 -0.024 0.000 0.945 35 F CB 1.396 40.374 39.000 -0.037 0.000 1.181 35 F HN 0.055 nan 8.300 nan 0.000 0.435 36 S N 2.035 117.797 115.700 0.103 0.000 2.416 36 S HA 0.151 4.621 4.470 0.000 0.000 0.287 36 S C 1.122 175.745 174.600 0.038 0.000 1.139 36 S CA -0.330 57.912 58.200 0.070 0.000 1.058 36 S CB 0.439 63.670 63.200 0.052 0.000 0.967 36 S HN 0.728 nan 8.310 nan 0.000 0.495 37 T N 5.996 120.552 114.554 0.003 0.000 2.929 37 T HA -0.102 4.248 4.350 0.000 0.000 0.271 37 T C 1.655 176.266 174.700 -0.150 0.000 1.085 37 T CA 1.054 63.068 62.100 -0.144 0.000 1.125 37 T CB -0.251 68.537 68.868 -0.134 0.000 0.874 37 T HN 0.572 nan 8.240 nan 0.000 0.494 38 L N 1.164 122.433 121.223 0.076 0.000 1.961 38 L HA 0.032 4.372 4.340 0.000 0.000 0.210 38 L C 2.189 179.208 176.870 0.248 0.000 1.072 38 L CA 1.678 56.666 54.840 0.247 0.000 0.749 38 L CB -0.786 41.374 42.059 0.168 0.000 0.889 38 L HN 0.212 nan 8.230 nan 0.000 0.432 39 L N -0.509 120.802 121.223 0.146 0.000 2.081 39 L HA -0.195 4.146 4.340 0.000 0.000 0.212 39 L C 2.467 179.440 176.870 0.172 0.000 1.080 39 L CA 1.325 56.261 54.840 0.160 0.000 0.754 39 L CB -1.385 40.729 42.059 0.092 0.000 0.893 39 L HN 0.560 nan 8.230 nan 0.000 0.433 40 G N -0.772 108.051 108.800 0.040 0.000 2.450 40 G HA2 -0.278 3.683 3.960 0.000 0.000 0.220 40 G HA3 -0.278 3.683 3.960 0.000 0.000 0.220 40 G C 1.142 176.038 174.900 -0.007 0.000 1.130 40 G CA 0.447 45.508 45.100 -0.064 0.000 0.760 40 G HN 0.448 nan 8.290 nan 0.000 0.557 41 W N -1.215 120.202 121.300 0.194 0.000 2.425 41 W HA 0.216 4.877 4.660 0.000 0.000 0.277 41 W C 2.023 178.789 176.519 0.412 0.000 1.231 41 W CA -0.398 57.104 57.345 0.262 0.000 1.248 41 W CB -0.140 29.460 29.460 0.232 0.000 1.117 41 W HN 0.127 nan 8.180 nan 0.000 0.568 42 F N -0.597 119.570 119.950 0.361 0.000 2.298 42 F HA 0.370 4.897 4.527 0.000 0.000 0.282 42 F C 1.660 177.521 175.800 0.103 0.000 1.045 42 F CA 1.459 59.587 58.000 0.214 0.000 1.280 42 F CB -0.590 38.510 39.000 0.166 0.000 1.114 42 F HN -0.231 nan 8.300 nan 0.000 0.546 43 G N -0.989 107.921 108.800 0.183 0.000 3.137 43 G HA2 0.177 4.137 3.960 0.000 0.000 0.196 43 G HA3 0.177 4.137 3.960 0.000 0.000 0.196 43 G C -1.072 173.857 174.900 0.049 0.000 1.135 43 G CA -0.878 44.246 45.100 0.040 0.000 0.803 43 G HN 0.033 nan 8.290 nan 0.000 0.619 44 N N 0.696 119.407 118.700 0.019 0.000 2.492 44 N HA 0.315 5.055 4.740 0.000 0.000 0.262 44 N C 1.011 176.514 175.510 -0.012 0.000 1.202 44 N CA 0.319 53.364 53.050 -0.008 0.000 0.926 44 N CB 1.587 40.053 38.487 -0.036 0.000 1.078 44 N HN 0.480 nan 8.380 nan 0.000 0.454 45 A N 2.579 125.387 122.820 -0.019 0.000 2.081 45 A HA -0.065 4.255 4.320 0.000 0.000 0.214 45 A C 0.917 178.401 177.584 -0.166 0.000 1.158 45 A CA 0.415 52.448 52.037 -0.006 0.000 0.724 45 A CB 0.087 19.151 19.000 0.106 0.000 0.826 45 A HN 0.773 nan 8.150 nan 0.000 0.463 46 Q N 0.637 120.211 119.800 -0.377 0.000 2.288 46 Q HA 0.477 4.817 4.340 0.000 0.000 0.258 46 Q C -1.293 174.442 176.000 -0.442 0.000 0.957 46 Q CA -0.183 55.123 55.803 -0.828 0.000 0.919 46 Q CB 0.424 28.709 28.738 -0.756 0.000 1.185 46 Q HN 0.491 nan 8.270 nan 0.000 0.408 47 L N 4.394 125.365 121.223 -0.420 0.000 2.295 47 L HA 0.616 4.956 4.340 0.000 0.000 0.285 47 L C 0.634 177.394 176.870 -0.183 0.000 1.035 47 L CA -0.001 54.714 54.840 -0.208 0.000 0.806 47 L CB 1.310 43.296 42.059 -0.122 0.000 1.214 47 L HN 1.030 nan 8.230 nan 0.000 0.426 48 G N 4.020 112.748 108.800 -0.120 0.000 2.782 48 G HA2 -0.163 3.797 3.960 0.000 0.000 0.228 48 G HA3 -0.163 3.797 3.960 0.000 0.000 0.228 48 G C -3.014 171.830 174.900 -0.093 0.000 1.372 48 G CA -1.023 44.028 45.100 -0.082 0.000 0.862 48 G HN 0.444 nan 8.290 nan 0.000 0.547 49 P HA 0.689 nan 4.420 nan 0.000 0.279 49 P C -0.140 177.149 177.300 -0.017 0.000 1.276 49 P CA -0.686 62.394 63.100 -0.034 0.000 0.801 49 P CB 0.955 32.639 31.700 -0.027 0.000 1.127 50 I N -0.781 119.786 120.570 -0.005 0.000 2.785 50 I HA 0.441 4.611 4.170 0.000 0.000 0.302 50 I C -1.421 174.722 176.117 0.043 0.000 1.069 50 I CA -1.312 60.003 61.300 0.025 0.000 1.045 50 I CB 1.759 39.775 38.000 0.027 0.000 1.236 50 I HN 0.163 nan 8.210 nan 0.000 0.429 51 Y N 6.732 126.994 120.300 -0.063 0.000 2.341 51 Y HA 0.414 4.964 4.550 0.000 0.000 0.340 51 Y C -0.057 175.799 175.900 -0.072 0.000 0.997 51 Y CA -0.289 57.767 58.100 -0.073 0.000 1.149 51 Y CB 0.914 39.314 38.460 -0.100 0.000 1.171 51 Y HN 0.527 nan 8.280 nan 0.000 0.494 52 L N 4.547 125.702 121.223 -0.114 0.000 2.035 52 L HA 0.323 4.663 4.340 0.000 0.000 0.207 52 L C 1.190 178.126 176.870 0.111 0.000 1.173 52 L CA 0.663 55.492 54.840 -0.018 0.000 0.852 52 L CB -0.950 41.045 42.059 -0.107 0.000 0.946 52 L HN 0.908 nan 8.230 nan 0.000 0.483 53 G N -0.808 107.980 108.800 -0.019 0.000 2.829 53 G HA2 -0.241 3.720 3.960 0.000 0.000 0.628 53 G HA3 -0.241 3.720 3.960 0.000 0.000 0.628 53 G C 0.443 175.388 174.900 0.074 0.000 1.412 53 G CA -0.157 45.028 45.100 0.141 0.000 0.864 53 G HN 0.320 nan 8.290 nan 0.000 0.544 54 S N -0.458 115.280 115.700 0.063 0.000 2.355 54 S HA -0.072 4.398 4.470 0.000 0.000 0.222 54 S C 2.515 177.140 174.600 0.042 0.000 1.031 54 S CA 1.723 59.946 58.200 0.038 0.000 0.993 54 S CB -0.217 63.001 63.200 0.030 0.000 0.859 54 S HN 0.675 nan 8.310 nan 0.000 0.453 55 L N 1.917 123.157 121.223 0.028 0.000 2.093 55 L HA 0.077 4.417 4.340 0.000 0.000 0.208 55 L C 2.461 179.347 176.870 0.027 0.000 1.085 55 L CA 1.440 56.289 54.840 0.015 0.000 0.755 55 L CB -1.290 40.741 42.059 -0.047 0.000 0.904 55 L HN 0.390 nan 8.230 nan 0.000 0.435 56 G N -1.331 107.478 108.800 0.015 0.000 2.421 56 G HA2 -0.201 3.759 3.960 0.000 0.000 0.216 56 G HA3 -0.201 3.759 3.960 0.000 0.000 0.216 56 G C 1.567 176.538 174.900 0.119 0.000 1.171 56 G CA 1.091 46.220 45.100 0.048 0.000 0.775 56 G HN 0.268 nan 8.290 nan 0.000 0.543 57 V N 0.796 120.765 119.914 0.092 0.000 2.307 57 V HA -0.123 3.997 4.120 0.000 0.000 0.245 57 V C 2.666 178.849 176.094 0.149 0.000 1.045 57 V CA 1.621 63.981 62.300 0.101 0.000 1.024 57 V CB -0.609 31.245 31.823 0.052 0.000 0.651 57 V HN 0.349 nan 8.190 nan 0.000 0.449 58 L N 0.220 121.522 121.223 0.132 0.000 1.989 58 L HA -0.191 4.149 4.340 0.000 0.000 0.211 58 L C 2.668 179.661 176.870 0.205 0.000 1.071 58 L CA 2.563 57.510 54.840 0.179 0.000 0.749 58 L CB -0.824 41.318 42.059 0.138 0.000 0.890 58 L HN 0.336 nan 8.230 nan 0.000 0.431 59 S N -0.857 114.948 115.700 0.176 0.000 2.365 59 S HA -0.250 4.220 4.470 0.000 0.000 0.221 59 S C 2.033 176.721 174.600 0.147 0.000 1.037 59 S CA 1.933 60.246 58.200 0.188 0.000 1.060 59 S CB -0.731 62.661 63.200 0.319 0.000 0.974 59 S HN 0.441 nan 8.310 nan 0.000 0.427 60 L N 0.584 121.913 121.223 0.178 0.000 2.081 60 L HA -0.028 4.313 4.340 0.000 0.000 0.212 60 L C 1.992 178.919 176.870 0.095 0.000 1.080 60 L CA 2.032 56.941 54.840 0.115 0.000 0.754 60 L CB -0.935 41.208 42.059 0.140 0.000 0.893 60 L HN 0.544 nan 8.230 nan 0.000 0.433 61 F N -0.675 119.280 119.950 0.008 0.000 2.149 61 F HA -0.115 4.412 4.527 0.000 0.000 0.294 61 F C 2.463 178.210 175.800 -0.088 0.000 1.095 61 F CA 1.585 59.574 58.000 -0.019 0.000 1.276 61 F CB -0.608 38.390 39.000 -0.004 0.000 1.023 61 F HN 0.065 nan 8.300 nan 0.000 0.480 62 S N 0.552 116.152 115.700 -0.166 0.000 2.382 62 S HA -0.121 4.349 4.470 0.000 0.000 0.228 62 S C 2.348 176.785 174.600 -0.273 0.000 1.027 62 S CA 1.084 59.080 58.200 -0.341 0.000 0.991 62 S CB -1.398 61.779 63.200 -0.039 0.000 0.823 62 S HN 0.615 nan 8.310 nan 0.000 0.469 63 G N 1.990 110.702 108.800 -0.146 0.000 2.446 63 G HA2 -0.147 3.813 3.960 0.000 0.000 0.217 63 G HA3 -0.147 3.813 3.960 0.000 0.000 0.217 63 G C 1.325 176.172 174.900 -0.088 0.000 1.168 63 G CA 0.723 45.769 45.100 -0.090 0.000 0.771 63 G HN 0.452 nan 8.290 nan 0.000 0.551 64 L N -0.372 120.720 121.223 -0.219 0.000 2.109 64 L HA -0.011 4.329 4.340 0.000 0.000 0.207 64 L C 3.033 179.724 176.870 -0.297 0.000 1.086 64 L CA 0.437 55.078 54.840 -0.330 0.000 0.760 64 L CB -0.348 41.608 42.059 -0.171 0.000 0.910 64 L HN 0.123 nan 8.230 nan 0.000 0.437 65 M N -0.843 118.519 119.600 -0.396 0.000 2.080 65 M HA -0.250 4.231 4.480 0.000 0.000 0.260 65 M C 2.053 178.286 176.300 -0.112 0.000 1.068 65 M CA 1.725 56.736 55.300 -0.481 0.000 1.109 65 M CB -1.328 30.363 32.600 -1.515 0.000 1.342 65 M HN 0.409 nan 8.290 nan 0.000 0.405 66 W N 0.386 121.554 121.300 -0.220 0.000 2.332 66 W HA -0.293 4.367 4.660 0.000 0.000 0.321 66 W C 2.301 178.749 176.519 -0.117 0.000 1.219 66 W CA 1.786 59.102 57.345 -0.050 0.000 1.277 66 W CB -1.120 28.280 29.460 -0.101 0.000 1.161 66 W HN 0.209 nan 8.180 nan 0.000 0.476 67 F N -0.111 119.519 119.950 -0.533 0.000 2.161 67 F HA -0.191 4.336 4.527 0.001 0.000 0.300 67 F C 2.034 177.494 175.800 -0.566 0.000 1.089 67 F CA 2.007 59.507 58.000 -0.832 0.000 1.282 67 F CB -0.849 37.738 39.000 -0.688 0.000 1.010 67 F HN -0.151 nan 8.300 nan 0.000 0.485 68 F N -0.076 119.790 119.950 -0.140 0.000 2.187 68 F HA -0.078 4.449 4.527 0.000 0.000 0.295 68 F C 2.604 178.327 175.800 -0.128 0.000 1.091 68 F CA 1.525 59.455 58.000 -0.117 0.000 1.308 68 F CB -1.555 37.435 39.000 -0.017 0.000 1.030 68 F HN -0.201 nan 8.300 nan 0.000 0.487 69 T N 0.657 115.263 114.554 0.087 0.000 2.803 69 T HA -0.183 4.167 4.350 0.000 0.000 0.269 69 T C 2.206 176.882 174.700 -0.040 0.000 1.052 69 T CA 1.421 63.569 62.100 0.081 0.000 1.136 69 T CB -0.438 68.521 68.868 0.151 0.000 0.864 69 T HN 0.143 nan 8.240 nan 0.000 0.467 70 I N 0.789 121.169 120.570 -0.316 0.000 2.286 70 I HA -0.007 4.164 4.170 0.000 0.000 0.245 70 I C 2.853 178.723 176.117 -0.412 0.000 1.104 70 I CA 1.017 62.050 61.300 -0.446 0.000 1.397 70 I CB -0.590 36.870 38.000 -0.899 0.000 1.072 70 I HN 0.282 nan 8.210 nan 0.000 0.417 71 G N 1.933 110.487 108.800 -0.410 0.000 2.476 71 G HA2 -0.287 3.674 3.960 0.000 0.000 0.218 71 G HA3 -0.287 3.674 3.960 0.000 0.000 0.218 71 G C 1.683 176.748 174.900 0.275 0.000 1.164 71 G CA 1.337 46.356 45.100 -0.135 0.000 0.768 71 G HN 0.594 nan 8.290 nan 0.000 0.560 72 I N -3.244 117.493 120.570 0.279 0.000 2.315 72 I HA -0.022 4.148 4.170 0.000 0.000 0.248 72 I C 2.464 178.768 176.117 0.312 0.000 1.117 72 I CA 1.083 62.583 61.300 0.333 0.000 1.404 72 I CB -0.373 37.793 38.000 0.276 0.000 1.071 72 I HN 0.351 nan 8.210 nan 0.000 0.419 73 W N 1.743 123.140 121.300 0.161 0.000 2.355 73 W HA -0.245 4.415 4.660 0.000 0.000 0.309 73 W C 2.104 178.766 176.519 0.239 0.000 1.206 73 W CA 1.301 58.782 57.345 0.228 0.000 1.284 73 W CB -0.337 29.272 29.460 0.248 0.000 1.145 73 W HN 0.151 nan 8.180 nan 0.000 0.502 74 F N -0.243 119.641 119.950 -0.109 0.000 2.095 74 F HA -0.173 4.354 4.527 0.000 0.000 0.298 74 F C 2.116 177.445 175.800 -0.784 0.000 1.104 74 F CA 1.397 59.084 58.000 -0.523 0.000 1.232 74 F CB -1.698 37.141 39.000 -0.268 0.000 0.987 74 F HN -0.075 nan 8.300 nan 0.000 0.475 75 W N -1.302 119.869 121.300 -0.215 0.000 2.358 75 W HA -0.260 4.400 4.660 0.000 0.000 0.303 75 W C 2.635 178.456 176.519 -1.163 0.000 1.208 75 W CA 1.682 58.705 57.345 -0.537 0.000 1.274 75 W CB -1.150 27.993 29.460 -0.527 0.000 1.138 75 W HN 0.097 nan 8.180 nan 0.000 0.515 76 Y N 1.203 120.902 120.300 -1.002 0.000 2.224 76 Y HA -0.274 4.276 4.550 0.000 0.000 0.289 76 Y C 2.255 177.648 175.900 -0.844 0.000 1.146 76 Y CA 2.068 59.536 58.100 -1.053 0.000 1.182 76 Y CB -0.815 37.305 38.460 -0.567 0.000 0.983 76 Y HN 0.046 nan 8.280 nan 0.000 0.524 77 Q N -0.182 118.904 119.800 -1.190 0.000 2.079 77 Q HA -0.105 4.235 4.340 0.000 0.000 0.200 77 Q C 2.295 177.791 176.000 -0.841 0.000 0.974 77 Q CA 1.228 56.361 55.803 -1.118 0.000 0.840 77 Q CB -0.327 27.772 28.738 -1.066 0.000 0.898 77 Q HN 0.597 nan 8.270 nan 0.000 0.430 78 A N 0.218 122.502 122.820 -0.893 0.000 2.239 78 A HA 0.159 4.479 4.320 0.000 0.000 0.209 78 A C 1.381 178.822 177.584 -0.239 0.000 1.171 78 A CA 0.827 52.586 52.037 -0.464 0.000 0.768 78 A CB -0.619 18.169 19.000 -0.354 0.000 0.790 78 A HN 0.482 nan 8.150 nan 0.000 0.478 79 G N -2.542 106.042 108.800 -0.359 0.000 2.221 79 G HA2 -0.299 3.661 3.960 0.000 0.000 0.265 79 G HA3 -0.299 3.661 3.960 0.000 0.000 0.265 79 G C 0.252 175.244 174.900 0.154 0.000 1.041 79 G CA 0.204 45.238 45.100 -0.110 0.000 0.807 79 G HN 1.066 nan 8.290 nan 0.000 0.502 80 W N -2.187 119.188 121.300 0.124 0.000 4.310 80 W HA -0.212 4.448 4.660 0.000 0.000 0.320 80 W C 0.767 177.454 176.519 0.280 0.000 1.168 80 W CA 0.556 58.058 57.345 0.261 0.000 0.757 80 W CB -1.770 27.753 29.460 0.106 0.000 2.221 80 W HN 0.615 nan 8.180 nan 0.000 1.517 81 N N 1.088 119.996 118.700 0.347 0.000 2.426 81 N HA 0.193 4.934 4.740 0.000 0.000 0.257 81 N C -0.933 174.755 175.510 0.296 0.000 1.002 81 N CA -1.907 51.307 53.050 0.274 0.000 0.942 81 N CB 1.422 40.005 38.487 0.160 0.000 1.112 81 N HN -0.236 nan 8.380 nan 0.000 0.499 82 P HA -0.061 nan 4.420 nan 0.000 0.220 82 P C 0.720 178.143 177.300 0.205 0.000 1.148 82 P CA 0.847 64.131 63.100 0.306 0.000 0.803 82 P CB 0.298 32.170 31.700 0.287 0.000 0.782 83 A N -0.265 122.648 122.820 0.156 0.000 1.854 83 A HA -0.087 4.234 4.320 0.000 0.000 0.214 83 A C 2.406 180.041 177.584 0.085 0.000 1.192 83 A CA 1.498 53.596 52.037 0.103 0.000 0.611 83 A CB -1.540 17.503 19.000 0.073 0.000 0.832 83 A HN 0.018 nan 8.150 nan 0.000 0.442 84 V N -0.981 118.989 119.914 0.093 0.000 2.287 84 V HA -0.264 3.856 4.120 0.000 0.000 0.248 84 V C 2.293 178.472 176.094 0.141 0.000 1.053 84 V CA 2.230 64.579 62.300 0.082 0.000 1.027 84 V CB -0.963 30.909 31.823 0.081 0.000 0.646 84 V HN 0.622 nan 8.190 nan 0.000 0.447 85 F N 0.036 119.965 119.950 -0.035 0.000 2.115 85 F HA -0.266 4.262 4.527 0.000 0.000 0.300 85 F C 1.942 177.713 175.800 -0.048 0.000 1.092 85 F CA 1.889 59.818 58.000 -0.118 0.000 1.245 85 F CB -0.150 38.474 39.000 -0.626 0.000 0.995 85 F HN 0.082 nan 8.300 nan 0.000 0.481 86 L N 0.065 121.340 121.223 0.086 0.000 2.179 86 L HA -0.031 4.309 4.340 0.000 0.000 0.208 86 L C 2.553 179.319 176.870 -0.173 0.000 1.096 86 L CA 1.340 56.153 54.840 -0.045 0.000 0.779 86 L CB -0.917 41.169 42.059 0.046 0.000 0.922 86 L HN 0.063 nan 8.230 nan 0.000 0.443 87 R N -0.304 120.123 120.500 -0.121 0.000 2.075 87 R HA -0.115 4.225 4.340 0.000 0.000 0.232 87 R C 0.385 176.539 176.300 -0.242 0.000 1.126 87 R CA 1.531 57.539 56.100 -0.153 0.000 0.963 87 R CB 0.058 30.294 30.300 -0.106 0.000 0.858 87 R HN 0.268 nan 8.270 nan 0.000 0.435 88 D N 0.421 120.609 120.400 -0.354 0.000 2.463 88 D HA 0.004 4.644 4.640 0.000 0.000 0.224 88 D C 1.065 176.654 176.300 -1.185 0.000 1.174 88 D CA -0.095 53.530 54.000 -0.625 0.000 0.829 88 D CB 0.626 40.981 40.800 -0.742 0.000 0.993 88 D HN 0.117 nan 8.370 nan 0.000 0.497 89 L N -0.056 120.685 121.223 -0.805 0.000 2.131 89 L HA -0.110 4.230 4.340 0.000 0.000 0.210 89 L C 1.273 177.893 176.870 -0.416 0.000 1.092 89 L CA 1.675 56.106 54.840 -0.682 0.000 0.759 89 L CB -0.286 41.438 42.059 -0.558 0.000 0.903 89 L HN -0.036 nan 8.230 nan 0.000 0.435 90 F N -2.016 117.473 119.950 -0.769 0.000 2.743 90 F HA 0.117 4.644 4.527 0.000 0.000 0.297 90 F C 1.800 176.964 175.800 -1.060 0.000 1.131 90 F CA -0.036 57.335 58.000 -1.048 0.000 1.426 90 F CB -0.987 36.939 39.000 -1.789 0.000 1.116 90 F HN 0.040 nan 8.300 nan 0.000 0.583 91 F N -1.341 118.278 119.950 -0.550 0.000 2.387 91 F HA 0.084 4.611 4.527 0.000 0.000 0.294 91 F C 0.963 176.540 175.800 -0.371 0.000 1.093 91 F CA -0.238 57.551 58.000 -0.352 0.000 1.420 91 F CB -0.692 38.076 39.000 -0.388 0.000 1.086 91 F HN -0.340 nan 8.300 nan 0.000 0.531 92 F N 0.582 120.336 119.950 -0.327 0.000 2.586 92 F HA 0.312 4.840 4.527 0.000 0.000 0.344 92 F C 0.751 176.233 175.800 -0.530 0.000 1.188 92 F CA -0.580 57.001 58.000 -0.700 0.000 1.359 92 F CB -0.020 37.995 39.000 -1.642 0.000 1.129 92 F HN -0.317 nan 8.300 nan 0.000 0.609 93 S N 1.469 117.192 115.700 0.039 0.000 2.570 93 S HA 0.457 4.928 4.470 0.000 0.000 0.286 93 S C -1.884 173.088 174.600 0.621 0.000 1.143 93 S CA -0.742 57.685 58.200 0.377 0.000 0.921 93 S CB 0.736 64.111 63.200 0.292 0.000 1.108 93 S HN 0.561 nan 8.310 nan 0.000 0.456 94 L N 5.205 126.807 121.223 0.632 0.000 2.270 94 L HA 0.582 4.922 4.340 0.000 0.000 0.286 94 L C -0.233 176.837 176.870 0.334 0.000 1.059 94 L CA 0.187 55.233 54.840 0.342 0.000 0.839 94 L CB 0.576 42.844 42.059 0.348 0.000 1.221 94 L HN 0.620 nan 8.230 nan 0.000 0.431 95 E N 6.168 126.455 120.200 0.144 0.000 2.277 95 E HA 0.426 4.776 4.350 0.000 0.000 0.274 95 E C -2.391 174.042 176.600 -0.278 0.000 1.022 95 E CA -1.886 54.511 56.400 -0.005 0.000 0.853 95 E CB 0.619 30.339 29.700 0.033 0.000 1.086 95 E HN 0.413 nan 8.360 nan 0.000 0.397 96 P HA 0.132 nan 4.420 nan 0.000 0.274 96 P C -2.472 174.548 177.300 -0.466 0.000 1.260 96 P CA -1.231 61.174 63.100 -1.157 0.000 0.793 96 P CB -0.757 30.155 31.700 -1.315 0.000 1.048 97 P HA 0.090 nan 4.420 nan 0.000 0.269 97 P C -0.324 176.975 177.300 -0.002 0.000 1.215 97 P CA 0.020 63.038 63.100 -0.138 0.000 0.780 97 P CB 0.054 31.700 31.700 -0.089 0.000 0.898 98 A N 4.333 127.237 122.820 0.141 0.000 2.507 98 A HA 0.192 4.512 4.320 0.000 0.000 0.235 98 A C -1.131 176.543 177.584 0.151 0.000 1.070 98 A CA -0.638 51.497 52.037 0.163 0.000 0.768 98 A CB -1.202 17.936 19.000 0.230 0.000 1.011 98 A HN 0.430 nan 8.150 nan 0.000 0.502 99 P HA -0.122 nan 4.420 nan 0.000 0.221 99 P C 0.795 178.091 177.300 -0.007 0.000 1.145 99 P CA 1.220 64.329 63.100 0.015 0.000 0.795 99 P CB 0.174 31.869 31.700 -0.009 0.000 0.775 100 E N -0.779 119.403 120.200 -0.029 0.000 2.058 100 E HA -0.195 4.156 4.350 0.000 0.000 0.194 100 E C 1.710 178.174 176.600 -0.226 0.000 0.997 100 E CA 1.425 57.721 56.400 -0.173 0.000 0.801 100 E CB -1.048 28.454 29.700 -0.331 0.000 0.746 100 E HN 0.411 nan 8.360 nan 0.000 0.450 101 Y N -0.226 120.075 120.300 0.001 0.000 2.509 101 Y HA 0.066 4.616 4.550 0.000 0.000 0.293 101 Y C 1.748 177.646 175.900 -0.003 0.000 1.133 101 Y CA 0.522 58.634 58.100 0.019 0.000 1.283 101 Y CB -0.380 38.110 38.460 0.049 0.000 1.001 101 Y HN 0.148 nan 8.280 nan 0.000 0.555 102 G N 0.882 109.722 108.800 0.066 0.000 2.611 102 G HA2 -0.357 3.603 3.960 0.000 0.000 0.301 102 G HA3 -0.357 3.603 3.960 0.000 0.000 0.301 102 G C 0.431 175.218 174.900 -0.188 0.000 1.233 102 G CA 0.437 45.495 45.100 -0.070 0.000 0.993 102 G HN 0.255 nan 8.290 nan 0.000 0.553 103 L N 1.500 122.540 121.223 -0.305 0.000 2.737 103 L HA 0.385 4.725 4.340 0.000 0.000 0.236 103 L C 1.442 178.323 176.870 0.018 0.000 1.219 103 L CA 0.349 54.822 54.840 -0.613 0.000 1.021 103 L CB 0.093 41.816 42.059 -0.559 0.000 1.291 103 L HN 0.431 nan 8.230 nan 0.000 0.470 104 S N -0.548 115.252 115.700 0.166 0.000 2.565 104 S HA 0.226 4.696 4.470 0.000 0.000 0.276 104 S C 0.382 175.125 174.600 0.239 0.000 1.326 104 S CA -0.334 58.026 58.200 0.266 0.000 1.045 104 S CB 0.487 63.858 63.200 0.284 0.000 0.918 104 S HN 0.253 nan 8.310 nan 0.000 0.505 105 F N 2.720 122.811 119.950 0.234 0.000 2.639 105 F HA 0.394 4.921 4.527 0.000 0.000 0.300 105 F C 1.487 177.317 175.800 0.050 0.000 1.109 105 F CA -0.061 58.009 58.000 0.116 0.000 1.335 105 F CB 0.218 39.264 39.000 0.078 0.000 1.014 105 F HN 0.712 nan 8.300 nan 0.000 0.537 106 A N -0.229 122.716 122.820 0.208 0.000 2.470 106 A HA 0.646 4.966 4.320 0.000 0.000 0.251 106 A C 1.165 178.764 177.584 0.026 0.000 1.245 106 A CA 0.043 52.164 52.037 0.141 0.000 0.932 106 A CB -0.486 18.626 19.000 0.186 0.000 1.037 106 A HN 0.097 nan 8.150 nan 0.000 0.522 107 A N 1.814 124.523 122.820 -0.186 0.000 2.540 107 A HA 0.485 4.805 4.320 0.000 0.000 0.239 107 A C -2.103 175.282 177.584 -0.332 0.000 1.061 107 A CA -0.670 50.934 52.037 -0.721 0.000 0.758 107 A CB -0.400 18.113 19.000 -0.813 0.000 0.991 107 A HN 0.293 nan 8.150 nan 0.000 0.502 108 P HA 0.084 nan 4.420 nan 0.000 0.270 108 P C 0.904 178.144 177.300 -0.099 0.000 1.223 108 P CA -0.254 62.791 63.100 -0.091 0.000 0.785 108 P CB 0.409 32.100 31.700 -0.015 0.000 0.923 109 L N 0.813 122.010 121.223 -0.043 0.000 2.027 109 L HA -0.144 4.197 4.340 0.000 0.000 0.206 109 L C 2.098 178.929 176.870 -0.066 0.000 1.074 109 L CA 1.810 56.621 54.840 -0.048 0.000 0.745 109 L CB -0.673 41.382 42.059 -0.007 0.000 0.898 109 L HN 0.412 nan 8.230 nan 0.000 0.433 110 K N -0.312 120.103 120.400 0.025 0.000 2.504 110 K HA -0.075 4.245 4.320 0.000 0.000 0.195 110 K C 1.153 177.790 176.600 0.062 0.000 1.036 110 K CA 0.549 56.917 56.287 0.135 0.000 0.984 110 K CB 0.139 32.804 32.500 0.275 0.000 0.788 110 K HN 0.285 nan 8.250 nan 0.000 0.488 111 E N -0.631 119.553 120.200 -0.025 0.000 2.558 111 E HA 0.074 4.425 4.350 0.000 0.000 0.205 111 E C 0.449 176.956 176.600 -0.156 0.000 1.006 111 E CA -0.066 56.309 56.400 -0.040 0.000 0.961 111 E CB 1.101 30.801 29.700 -0.001 0.000 1.044 111 E HN 0.443 nan 8.360 nan 0.000 0.465 112 G N -0.342 108.348 108.800 -0.183 0.000 2.977 112 G HA2 -0.186 3.774 3.960 0.000 0.000 0.211 112 G HA3 -0.186 3.774 3.960 0.000 0.000 0.211 112 G C 1.069 175.911 174.900 -0.098 0.000 0.994 112 G CA -0.102 44.896 45.100 -0.170 0.000 0.795 112 G HN 0.341 nan 8.290 nan 0.000 0.518 113 G N 0.933 109.655 108.800 -0.130 0.000 2.408 113 G HA2 0.096 4.057 3.960 0.000 0.000 0.217 113 G HA3 0.096 4.057 3.960 0.000 0.000 0.217 113 G C 1.710 176.586 174.900 -0.040 0.000 1.150 113 G CA 1.529 46.583 45.100 -0.077 0.000 0.776 113 G HN 0.644 nan 8.290 nan 0.000 0.542 114 L N -0.510 120.667 121.223 -0.076 0.000 2.131 114 L HA 0.088 4.429 4.340 0.000 0.000 0.210 114 L C 2.327 179.190 176.870 -0.011 0.000 1.092 114 L CA 1.261 56.056 54.840 -0.074 0.000 0.759 114 L CB -0.636 41.315 42.059 -0.180 0.000 0.903 114 L HN 0.500 nan 8.230 nan 0.000 0.435 115 W N -0.452 120.757 121.300 -0.151 0.000 2.388 115 W HA -0.182 4.478 4.660 0.000 0.000 0.294 115 W C 2.154 178.685 176.519 0.021 0.000 1.212 115 W CA 1.541 58.883 57.345 -0.005 0.000 1.271 115 W CB -0.061 29.365 29.460 -0.057 0.000 1.126 115 W HN 0.083 nan 8.180 nan 0.000 0.535 116 L N 0.156 121.486 121.223 0.180 0.000 2.093 116 L HA -0.223 4.117 4.340 0.000 0.000 0.208 116 L C 2.355 179.155 176.870 -0.117 0.000 1.085 116 L CA 1.325 56.139 54.840 -0.043 0.000 0.755 116 L CB -0.831 41.198 42.059 -0.050 0.000 0.904 116 L HN 0.037 nan 8.230 nan 0.000 0.435 117 I N -0.042 120.461 120.570 -0.112 0.000 2.142 117 I HA -0.290 3.880 4.170 0.000 0.000 0.240 117 I C 2.860 178.837 176.117 -0.234 0.000 1.078 117 I CA 1.256 62.421 61.300 -0.226 0.000 1.343 117 I CB -0.531 37.348 38.000 -0.202 0.000 1.046 117 I HN 0.188 nan 8.210 nan 0.000 0.405 118 A N 0.562 123.321 122.820 -0.101 0.000 1.883 118 A HA -0.232 4.089 4.320 0.000 0.000 0.217 118 A C 2.501 180.162 177.584 0.130 0.000 1.186 118 A CA 2.507 54.572 52.037 0.046 0.000 0.624 118 A CB -0.914 17.944 19.000 -0.237 0.000 0.822 118 A HN 0.448 nan 8.150 nan 0.000 0.444 119 S N -0.786 114.820 115.700 -0.156 0.000 2.356 119 S HA -0.174 4.296 4.470 0.000 0.000 0.223 119 S C 1.699 176.296 174.600 -0.007 0.000 1.032 119 S CA 1.451 59.551 58.200 -0.167 0.000 1.005 119 S CB -0.681 62.153 63.200 -0.610 0.000 0.867 119 S HN 0.632 nan 8.310 nan 0.000 0.449 120 F N 1.949 121.823 119.950 -0.128 0.000 2.120 120 F HA -0.169 4.358 4.527 0.001 0.000 0.300 120 F C 1.775 177.670 175.800 0.159 0.000 1.095 120 F CA 1.219 59.191 58.000 -0.046 0.000 1.249 120 F CB -0.395 38.497 39.000 -0.179 0.000 0.995 120 F HN 0.070 nan 8.300 nan 0.000 0.480 121 F N -0.024 119.939 119.950 0.021 0.000 2.146 121 F HA -0.184 4.343 4.527 0.000 0.000 0.298 121 F C 2.612 178.335 175.800 -0.128 0.000 1.096 121 F CA 1.506 59.485 58.000 -0.034 0.000 1.275 121 F CB -1.241 37.833 39.000 0.124 0.000 1.008 121 F HN 0.066 nan 8.300 nan 0.000 0.480 122 M N -1.415 118.186 119.600 0.002 0.000 2.117 122 M HA -0.244 4.236 4.480 0.000 0.000 0.262 122 M C 2.317 178.599 176.300 -0.031 0.000 1.065 122 M CA 1.596 56.696 55.300 -0.333 0.000 1.114 122 M CB -0.455 31.728 32.600 -0.695 0.000 1.361 122 M HN 0.139 nan 8.290 nan 0.000 0.408 123 F N 0.248 120.194 119.950 -0.007 0.000 2.065 123 F HA -0.260 4.267 4.527 0.001 0.000 0.298 123 F C 1.901 177.788 175.800 0.145 0.000 1.112 123 F CA 2.080 60.184 58.000 0.174 0.000 1.212 123 F CB -0.538 38.455 39.000 -0.012 0.000 0.975 123 F HN -0.104 nan 8.300 nan 0.000 0.476 124 V N 0.406 120.410 119.914 0.149 0.000 2.427 124 V HA -0.283 3.837 4.120 0.000 0.000 0.248 124 V C 2.668 178.799 176.094 0.062 0.000 1.051 124 V CA 1.562 63.919 62.300 0.095 0.000 1.048 124 V CB -1.564 30.253 31.823 -0.009 0.000 0.666 124 V HN 0.519 nan 8.190 nan 0.000 0.456 125 A N 0.019 122.833 122.820 -0.009 0.000 1.865 125 A HA -0.186 4.134 4.320 0.000 0.000 0.217 125 A C 2.409 179.952 177.584 -0.068 0.000 1.191 125 A CA 2.374 54.383 52.037 -0.047 0.000 0.623 125 A CB -0.793 18.112 19.000 -0.158 0.000 0.826 125 A HN 0.326 nan 8.150 nan 0.000 0.444 126 V N -2.420 117.339 119.914 -0.259 0.000 2.307 126 V HA -0.268 3.853 4.120 0.000 0.000 0.245 126 V C 2.272 178.212 176.094 -0.256 0.000 1.045 126 V CA 1.775 63.804 62.300 -0.452 0.000 1.024 126 V CB -0.999 30.121 31.823 -1.171 0.000 0.651 126 V HN 0.780 nan 8.190 nan 0.000 0.449 127 W N 0.843 122.042 121.300 -0.169 0.000 2.381 127 W HA -0.184 4.476 4.660 0.000 0.000 0.301 127 W C 2.957 179.547 176.519 0.120 0.000 1.205 127 W CA 1.529 58.840 57.345 -0.057 0.000 1.285 127 W CB -0.409 28.899 29.460 -0.253 0.000 1.133 127 W HN 0.351 nan 8.180 nan 0.000 0.521 128 S N -0.737 115.138 115.700 0.293 0.000 2.368 128 S HA -0.275 4.195 4.470 0.000 0.000 0.225 128 S C 1.661 176.357 174.600 0.160 0.000 1.030 128 S CA 1.053 59.376 58.200 0.204 0.000 0.999 128 S CB -1.393 61.903 63.200 0.159 0.000 0.844 128 S HN 0.494 nan 8.310 nan 0.000 0.459 129 W N 0.780 122.106 121.300 0.043 0.000 2.392 129 W HA -0.083 4.577 4.660 0.000 0.000 0.279 129 W C 1.835 178.382 176.519 0.046 0.000 1.225 129 W CA 0.940 58.279 57.345 -0.011 0.000 1.233 129 W CB -0.413 29.011 29.460 -0.060 0.000 1.122 129 W HN 0.501 nan 8.180 nan 0.000 0.561 130 W N 1.445 122.908 121.300 0.272 0.000 2.378 130 W HA -0.037 4.623 4.660 0.000 0.000 0.313 130 W C 2.535 179.098 176.519 0.074 0.000 1.197 130 W CA 3.299 60.832 57.345 0.313 0.000 1.304 130 W CB -0.992 28.573 29.460 0.175 0.000 1.148 130 W HN -0.125 nan 8.180 nan 0.000 0.494 131 G N 0.262 108.993 108.800 -0.116 0.000 2.462 131 G HA2 -0.327 3.633 3.960 0.000 0.000 0.220 131 G HA3 -0.327 3.633 3.960 0.000 0.000 0.220 131 G C 1.560 176.212 174.900 -0.414 0.000 1.121 131 G CA 1.099 45.989 45.100 -0.349 0.000 0.758 131 G HN 0.324 nan 8.290 nan 0.000 0.559 132 R N 0.486 120.734 120.500 -0.421 0.000 2.073 132 R HA -0.101 4.239 4.340 0.000 0.000 0.234 132 R C 2.943 178.876 176.300 -0.612 0.000 1.134 132 R CA 2.210 57.984 56.100 -0.544 0.000 0.952 132 R CB -0.699 29.145 30.300 -0.761 0.000 0.850 132 R HN 0.415 nan 8.270 nan 0.000 0.433 133 T N -1.833 112.308 114.554 -0.688 0.000 2.803 133 T HA -0.229 4.121 4.350 0.000 0.000 0.269 133 T C 1.801 176.187 174.700 -0.523 0.000 1.052 133 T CA 1.348 63.092 62.100 -0.595 0.000 1.136 133 T CB -0.603 67.934 68.868 -0.552 0.000 0.864 133 T HN 0.402 nan 8.240 nan 0.000 0.467 134 Y N 1.918 121.773 120.300 -0.743 0.000 2.153 134 Y HA 0.167 4.717 4.550 0.001 0.000 0.289 134 Y C 2.227 177.856 175.900 -0.452 0.000 1.127 134 Y CA 0.929 58.633 58.100 -0.660 0.000 1.131 134 Y CB -0.478 37.461 38.460 -0.868 0.000 0.995 134 Y HN 0.132 nan 8.280 nan 0.000 0.505 135 L N -0.450 120.704 121.223 -0.115 0.000 2.012 135 L HA -0.256 4.084 4.340 0.000 0.000 0.210 135 L C 2.521 179.225 176.870 -0.276 0.000 1.073 135 L CA 1.425 56.184 54.840 -0.136 0.000 0.748 135 L CB -0.531 41.412 42.059 -0.193 0.000 0.891 135 L HN 0.067 nan 8.230 nan 0.000 0.431 136 R N 0.150 120.425 120.500 -0.375 0.000 2.139 136 R HA -0.142 4.199 4.340 0.000 0.000 0.243 136 R C 2.242 178.352 176.300 -0.316 0.000 1.145 136 R CA 1.529 57.388 56.100 -0.402 0.000 0.976 136 R CB -0.895 29.153 30.300 -0.420 0.000 0.866 136 R HN 0.418 nan 8.270 nan 0.000 0.449 137 A N -0.329 122.294 122.820 -0.330 0.000 1.898 137 A HA -0.136 4.185 4.320 0.000 0.000 0.214 137 A C 2.069 179.495 177.584 -0.264 0.000 1.183 137 A CA 1.147 53.003 52.037 -0.302 0.000 0.622 137 A CB -0.433 18.340 19.000 -0.377 0.000 0.824 137 A HN 0.403 nan 8.150 nan 0.000 0.444 138 Q N -0.270 119.361 119.800 -0.282 0.000 2.096 138 Q HA -0.146 4.195 4.340 0.000 0.000 0.204 138 Q C 1.968 177.890 176.000 -0.130 0.000 0.982 138 Q CA 1.617 57.310 55.803 -0.183 0.000 0.850 138 Q CB -0.331 28.354 28.738 -0.088 0.000 0.901 138 Q HN 0.581 nan 8.270 nan 0.000 0.422 139 A N -0.177 122.552 122.820 -0.150 0.000 2.248 139 A HA -0.001 4.319 4.320 0.000 0.000 0.210 139 A C 1.464 178.982 177.584 -0.110 0.000 1.174 139 A CA 0.634 52.596 52.037 -0.125 0.000 0.750 139 A CB -0.064 18.835 19.000 -0.169 0.000 0.780 139 A HN 0.447 nan 8.150 nan 0.000 0.478 140 L N -2.404 118.745 121.223 -0.123 0.000 2.858 140 L HA 0.302 4.642 4.340 0.000 0.000 0.251 140 L C 1.457 178.274 176.870 -0.088 0.000 1.149 140 L CA 0.485 55.265 54.840 -0.101 0.000 0.955 140 L CB 0.442 42.432 42.059 -0.115 0.000 1.289 140 L HN 0.468 nan 8.230 nan 0.000 0.542 141 G N 0.769 109.513 108.800 -0.092 0.000 2.136 141 G HA2 -0.285 3.675 3.960 0.000 0.000 0.242 141 G HA3 -0.285 3.675 3.960 0.000 0.000 0.242 141 G C 0.208 175.062 174.900 -0.078 0.000 0.989 141 G CA 0.132 45.188 45.100 -0.073 0.000 0.682 141 G HN 0.220 nan 8.290 nan 0.000 0.522 142 M N 0.566 120.102 119.600 -0.106 0.000 2.291 142 M HA 0.520 5.000 4.480 0.000 0.000 0.324 142 M C 1.435 177.684 176.300 -0.085 0.000 1.148 142 M CA 0.114 55.353 55.300 -0.102 0.000 1.104 142 M CB 0.675 33.196 32.600 -0.131 0.000 1.483 142 M HN 0.236 nan 8.290 nan 0.000 0.467 143 G N 0.716 109.509 108.800 -0.012 0.000 2.690 143 G HA2 0.076 4.037 3.960 0.000 0.000 0.239 143 G HA3 0.076 4.037 3.960 0.000 0.000 0.239 143 G C -0.045 174.912 174.900 0.095 0.000 1.233 143 G CA -0.359 44.829 45.100 0.147 0.000 0.847 143 G HN 0.697 nan 8.290 nan 0.000 0.588 144 K N -0.246 120.190 120.400 0.059 0.000 2.570 144 K HA 0.222 4.542 4.320 0.000 0.000 0.210 144 K C 1.313 177.892 176.600 -0.035 0.000 1.048 144 K CA -0.179 55.999 56.287 -0.181 0.000 1.167 144 K CB 0.100 32.381 32.500 -0.366 0.000 0.892 144 K HN 0.613 nan 8.250 nan 0.000 0.480 145 H N -0.777 118.292 119.070 -0.002 0.000 2.265 145 H HA -0.166 4.390 4.556 0.001 0.000 0.295 145 H C 1.690 177.018 175.328 -0.001 0.000 1.084 145 H CA 2.240 58.313 56.048 0.042 0.000 1.261 145 H CB -0.465 29.276 29.762 -0.035 0.000 1.360 145 H HN 0.087 nan 8.280 nan 0.000 0.487 146 T N 0.431 115.027 114.554 0.070 0.000 2.624 146 T HA -0.263 4.087 4.350 0.000 0.000 0.268 146 T C 2.340 177.039 174.700 -0.002 0.000 1.041 146 T CA 1.737 63.831 62.100 -0.011 0.000 1.159 146 T CB -0.712 68.093 68.868 -0.106 0.000 0.863 146 T HN 0.544 nan 8.240 nan 0.000 0.434 147 A N 0.273 123.000 122.820 -0.155 0.000 1.908 147 A HA -0.120 4.200 4.320 0.000 0.000 0.218 147 A C 2.133 179.847 177.584 0.216 0.000 1.181 147 A CA 1.616 53.566 52.037 -0.145 0.000 0.627 147 A CB -1.171 17.472 19.000 -0.596 0.000 0.818 147 A HN 0.750 nan 8.150 nan 0.000 0.445 148 W N -0.523 120.953 121.300 0.294 0.000 2.381 148 W HA 0.036 4.696 4.660 0.000 0.000 0.301 148 W C 2.787 179.367 176.519 0.103 0.000 1.205 148 W CA 0.717 58.173 57.345 0.185 0.000 1.285 148 W CB -0.170 29.292 29.460 0.003 0.000 1.133 148 W HN 0.381 nan 8.180 nan 0.000 0.521 149 A N 0.174 123.147 122.820 0.255 0.000 1.908 149 A HA -0.259 4.061 4.320 0.000 0.000 0.218 149 A C 1.788 179.522 177.584 0.251 0.000 1.181 149 A CA 1.522 53.648 52.037 0.150 0.000 0.627 149 A CB -1.224 17.832 19.000 0.093 0.000 0.818 149 A HN 0.338 nan 8.150 nan 0.000 0.445 150 F N 0.122 120.150 119.950 0.130 0.000 2.216 150 F HA -0.104 4.423 4.527 0.000 0.000 0.300 150 F C 1.764 177.641 175.800 0.129 0.000 1.085 150 F CA 1.153 59.239 58.000 0.143 0.000 1.326 150 F CB -0.546 38.590 39.000 0.227 0.000 1.027 150 F HN 0.199 nan 8.300 nan 0.000 0.497 151 L N -0.582 120.729 121.223 0.147 0.000 2.131 151 L HA -0.150 4.190 4.340 0.000 0.000 0.210 151 L C 2.551 179.401 176.870 -0.034 0.000 1.092 151 L CA 1.759 56.531 54.840 -0.113 0.000 0.759 151 L CB -1.226 40.886 42.059 0.089 0.000 0.903 151 L HN 0.117 nan 8.230 nan 0.000 0.435 152 S N -0.902 114.842 115.700 0.073 0.000 2.348 152 S HA -0.183 4.287 4.470 0.000 0.000 0.221 152 S C 2.117 176.821 174.600 0.173 0.000 1.033 152 S CA 1.216 59.496 58.200 0.133 0.000 1.010 152 S CB -0.450 62.821 63.200 0.118 0.000 0.891 152 S HN 0.675 nan 8.310 nan 0.000 0.442 153 A N 1.461 124.336 122.820 0.091 0.000 1.859 153 A HA -0.148 4.172 4.320 0.000 0.000 0.217 153 A C 2.068 179.645 177.584 -0.013 0.000 1.198 153 A CA 1.861 53.932 52.037 0.056 0.000 0.629 153 A CB -1.053 17.989 19.000 0.070 0.000 0.830 153 A HN 0.560 nan 8.150 nan 0.000 0.446 154 I N -1.393 119.031 120.570 -0.242 0.000 2.236 154 I HA -0.335 3.835 4.170 0.000 0.000 0.249 154 I C 2.447 178.649 176.117 0.142 0.000 1.102 154 I CA 1.742 62.886 61.300 -0.260 0.000 1.365 154 I CB -0.286 37.280 38.000 -0.723 0.000 1.051 154 I HN 0.771 nan 8.210 nan 0.000 0.420 155 W N 1.315 122.589 121.300 -0.043 0.000 2.315 155 W HA -0.329 4.331 4.660 0.000 0.000 0.323 155 W C 2.371 178.930 176.519 0.067 0.000 1.233 155 W CA 1.264 58.627 57.345 0.030 0.000 1.267 155 W CB -0.360 29.112 29.460 0.020 0.000 1.160 155 W HN 0.146 nan 8.180 nan 0.000 0.474 156 L N 0.972 122.163 121.223 -0.054 0.000 2.079 156 L HA -0.176 4.164 4.340 0.000 0.000 0.210 156 L C 2.221 179.044 176.870 -0.079 0.000 1.081 156 L CA 2.678 57.404 54.840 -0.190 0.000 0.752 156 L CB -1.577 40.475 42.059 -0.011 0.000 0.896 156 L HN 0.313 nan 8.230 nan 0.000 0.433 157 W N -0.664 120.544 121.300 -0.154 0.000 2.409 157 W HA -0.183 4.478 4.660 0.001 0.000 0.299 157 W C 2.222 178.698 176.519 -0.073 0.000 1.203 157 W CA 1.228 58.497 57.345 -0.126 0.000 1.298 157 W CB -0.221 29.132 29.460 -0.178 0.000 1.127 157 W HN 0.057 nan 8.180 nan 0.000 0.528 158 M N 0.555 120.039 119.600 -0.194 0.000 2.082 158 M HA -0.200 4.280 4.480 0.000 0.000 0.258 158 M C 1.927 178.134 176.300 -0.154 0.000 1.069 158 M CA 1.559 56.694 55.300 -0.275 0.000 1.102 158 M CB -1.651 31.001 32.600 0.087 0.000 1.336 158 M HN 0.017 nan 8.290 nan 0.000 0.404 159 V N 0.001 119.762 119.914 -0.254 0.000 2.358 159 V HA -0.238 3.882 4.120 0.000 0.000 0.246 159 V C 2.501 178.508 176.094 -0.145 0.000 1.047 159 V CA 1.217 63.346 62.300 -0.285 0.000 1.035 159 V CB -0.548 30.920 31.823 -0.593 0.000 0.658 159 V HN 0.386 nan 8.190 nan 0.000 0.452 160 L N 0.227 121.360 121.223 -0.150 0.000 1.994 160 L HA -0.065 4.275 4.340 0.000 0.000 0.208 160 L C 2.210 179.060 176.870 -0.034 0.000 1.071 160 L CA 1.930 56.720 54.840 -0.082 0.000 0.745 160 L CB -0.684 41.305 42.059 -0.117 0.000 0.892 160 L HN 0.487 nan 8.230 nan 0.000 0.431 161 G N -3.122 105.633 108.800 -0.075 0.000 3.277 161 G HA2 0.019 3.979 3.960 0.000 0.000 0.243 161 G HA3 0.019 3.979 3.960 0.000 0.000 0.243 161 G C 0.617 175.676 174.900 0.264 0.000 1.107 161 G CA -0.137 45.008 45.100 0.074 0.000 0.771 161 G HN 0.227 nan 8.290 nan 0.000 0.544 162 F N -0.258 119.698 119.950 0.011 0.000 1.964 162 F HA 0.369 4.896 4.527 0.000 0.000 0.248 162 F C 2.001 177.871 175.800 0.117 0.000 1.051 162 F CA 0.035 58.118 58.000 0.139 0.000 1.221 162 F CB -0.046 38.981 39.000 0.046 0.000 1.497 162 F HN -0.027 nan 8.300 nan 0.000 0.653 163 I N 0.757 121.396 120.570 0.114 0.000 2.252 163 I HA -0.197 3.973 4.170 0.000 0.000 0.245 163 I C 2.547 178.625 176.117 -0.066 0.000 1.102 163 I CA 1.381 62.682 61.300 0.001 0.000 1.385 163 I CB -0.485 37.572 38.000 0.095 0.000 1.064 163 I HN 0.163 nan 8.210 nan 0.000 0.414 164 R N 0.986 121.470 120.500 -0.026 0.000 2.057 164 R HA -0.088 4.253 4.340 0.000 0.000 0.229 164 R C -0.418 175.868 176.300 -0.023 0.000 1.136 164 R CA 1.390 57.492 56.100 0.003 0.000 0.952 164 R CB -1.101 29.241 30.300 0.069 0.000 0.848 164 R HN 0.204 nan 8.270 nan 0.000 0.430 165 P HA -0.171 nan 4.420 nan 0.000 0.216 165 P C 1.247 178.352 177.300 -0.326 0.000 1.150 165 P CA 1.440 64.489 63.100 -0.085 0.000 0.843 165 P CB -0.085 31.670 31.700 0.092 0.000 0.787 166 I N -1.406 118.924 120.570 -0.401 0.000 2.353 166 I HA -0.152 4.019 4.170 0.000 0.000 0.248 166 I C 2.256 178.201 176.117 -0.286 0.000 1.119 166 I CA 1.046 62.051 61.300 -0.492 0.000 1.417 166 I CB -0.395 37.288 38.000 -0.528 0.000 1.078 166 I HN -0.161 nan 8.210 nan 0.000 0.421 167 L N -0.343 120.773 121.223 -0.179 0.000 2.478 167 L HA -0.089 4.251 4.340 0.000 0.000 0.223 167 L C 2.134 178.950 176.870 -0.089 0.000 1.140 167 L CA 0.434 55.213 54.840 -0.102 0.000 0.842 167 L CB -0.202 41.829 42.059 -0.047 0.000 0.953 167 L HN 0.303 nan 8.230 nan 0.000 0.452 168 M N -1.268 118.269 119.600 -0.106 0.000 2.516 168 M HA 0.207 4.688 4.480 0.000 0.000 0.259 168 M C 1.590 177.819 176.300 -0.119 0.000 1.146 168 M CA 0.955 56.208 55.300 -0.080 0.000 1.122 168 M CB -0.070 32.506 32.600 -0.041 0.000 1.341 168 M HN 0.330 nan 8.290 nan 0.000 0.478 169 G N 1.349 110.036 108.800 -0.189 0.000 2.179 169 G HA2 -0.183 3.778 3.960 0.000 0.000 0.220 169 G HA3 -0.183 3.778 3.960 0.000 0.000 0.220 169 G C 0.107 174.836 174.900 -0.284 0.000 0.990 169 G CA 0.374 45.344 45.100 -0.217 0.000 0.646 169 G HN 0.654 nan 8.290 nan 0.000 0.517 170 S N -2.033 113.473 115.700 -0.323 0.000 2.543 170 S HA 0.501 4.972 4.470 0.000 0.000 0.274 170 S C 0.295 174.713 174.600 -0.304 0.000 1.149 170 S CA -0.113 57.882 58.200 -0.341 0.000 0.866 170 S CB 0.475 63.584 63.200 -0.152 0.000 1.111 170 S HN 0.430 nan 8.310 nan 0.000 0.457 171 W N 1.643 122.855 121.300 -0.147 0.000 2.465 171 W HA -0.039 4.621 4.660 0.000 0.000 0.268 171 W C 2.623 178.952 176.519 -0.318 0.000 1.242 171 W CA 0.770 57.973 57.345 -0.236 0.000 1.248 171 W CB -0.136 29.139 29.460 -0.308 0.000 1.118 171 W HN 0.933 nan 8.180 nan 0.000 0.587 172 S N -0.091 115.595 115.700 -0.024 0.000 2.469 172 S HA -0.177 4.293 4.470 0.000 0.000 0.238 172 S C 1.370 175.980 174.600 0.016 0.000 0.998 172 S CA 1.106 59.270 58.200 -0.060 0.000 0.957 172 S CB -0.279 62.914 63.200 -0.012 0.000 0.764 172 S HN 0.254 nan 8.310 nan 0.000 0.514 173 E N 1.388 121.625 120.200 0.062 0.000 2.502 173 E HA 0.340 4.690 4.350 0.000 0.000 0.194 173 E C 0.959 177.750 176.600 0.318 0.000 1.062 173 E CA 0.362 56.880 56.400 0.197 0.000 0.867 173 E CB 0.038 29.828 29.700 0.151 0.000 0.888 173 E HN 0.723 nan 8.360 nan 0.000 0.510 174 A N 0.644 123.545 122.820 0.135 0.000 2.249 174 A HA 0.357 4.677 4.320 0.000 0.000 0.281 174 A C 0.281 177.767 177.584 -0.164 0.000 1.127 174 A CA -0.466 51.617 52.037 0.077 0.000 0.833 174 A CB 0.686 19.766 19.000 0.132 0.000 1.140 174 A HN -0.030 nan 8.150 nan 0.000 0.502 175 V N 2.249 121.923 119.914 -0.400 0.000 2.498 175 V HA 0.321 4.441 4.120 0.000 0.000 0.279 175 V C -2.070 173.817 176.094 -0.344 0.000 1.048 175 V CA -1.149 60.659 62.300 -0.821 0.000 0.967 175 V CB 0.890 32.184 31.823 -0.881 0.000 0.988 175 V HN 0.768 nan 8.190 nan 0.000 0.473 176 P HA 0.237 nan 4.420 nan 0.000 0.275 176 P C -1.231 176.041 177.300 -0.047 0.000 1.228 176 P CA -0.364 62.710 63.100 -0.044 0.000 0.786 176 P CB 0.319 32.070 31.700 0.085 0.000 0.927 177 Y N 1.103 121.603 120.300 0.332 0.000 2.486 177 Y HA 0.561 5.111 4.550 0.000 0.000 0.348 177 Y C 1.443 177.522 175.900 0.299 0.000 1.000 177 Y CA 0.683 58.920 58.100 0.228 0.000 1.253 177 Y CB 0.222 38.758 38.460 0.127 0.000 1.140 177 Y HN 0.593 nan 8.280 nan 0.000 0.526 178 G N 2.374 111.386 108.800 0.353 0.000 2.404 178 G HA2 0.243 4.204 3.960 0.000 0.000 0.298 178 G HA3 0.243 4.204 3.960 0.000 0.000 0.298 178 G C -0.262 174.757 174.900 0.198 0.000 1.577 178 G CA -0.827 44.492 45.100 0.365 0.000 0.847 178 G HN 0.293 nan 8.290 nan 0.000 0.598 179 I N 0.607 121.232 120.570 0.093 0.000 2.141 179 I HA 0.058 4.228 4.170 0.000 0.000 0.236 179 I C 2.458 178.722 176.117 0.246 0.000 1.071 179 I CA 1.234 62.520 61.300 -0.023 0.000 1.345 179 I CB -0.859 36.832 38.000 -0.514 0.000 1.066 179 I HN 0.459 nan 8.210 nan 0.000 0.406 180 F N 1.677 121.613 119.950 -0.023 0.000 2.293 180 F HA -0.086 4.441 4.527 0.000 0.000 0.297 180 F C 2.968 178.807 175.800 0.066 0.000 1.089 180 F CA 1.028 59.003 58.000 -0.042 0.000 1.377 180 F CB -1.391 37.491 39.000 -0.196 0.000 1.051 180 F HN 0.174 nan 8.300 nan 0.000 0.511 181 S N -0.052 115.839 115.700 0.319 0.000 2.383 181 S HA -0.229 4.241 4.470 0.000 0.000 0.227 181 S C 2.123 176.910 174.600 0.312 0.000 1.026 181 S CA 1.523 59.891 58.200 0.280 0.000 0.981 181 S CB -1.096 62.258 63.200 0.257 0.000 0.818 181 S HN 0.622 nan 8.310 nan 0.000 0.472 182 H N 1.846 121.024 119.070 0.180 0.000 2.470 182 H HA 0.203 4.760 4.556 0.000 0.000 0.289 182 H C 1.973 177.441 175.328 0.234 0.000 1.033 182 H CA 0.948 57.092 56.048 0.160 0.000 1.331 182 H CB -0.633 29.173 29.762 0.073 0.000 1.414 182 H HN 0.415 nan 8.280 nan 0.000 0.545 183 L N 0.703 121.851 121.223 -0.126 0.000 2.017 183 L HA -0.169 4.171 4.340 0.000 0.000 0.208 183 L C 2.284 179.175 176.870 0.035 0.000 1.073 183 L CA 1.654 56.420 54.840 -0.123 0.000 0.745 183 L CB -0.398 41.638 42.059 -0.040 0.000 0.894 183 L HN 0.185 nan 8.230 nan 0.000 0.432 184 D N -0.781 119.682 120.400 0.106 0.000 2.097 184 D HA -0.241 4.399 4.640 0.000 0.000 0.195 184 D C 1.694 178.094 176.300 0.166 0.000 0.989 184 D CA 1.125 55.190 54.000 0.108 0.000 0.827 184 D CB -0.353 40.522 40.800 0.125 0.000 0.966 184 D HN 0.400 nan 8.370 nan 0.000 0.456 185 W N 1.657 122.989 121.300 0.054 0.000 2.325 185 W HA -0.243 4.417 4.660 0.000 0.000 0.299 185 W C 2.167 178.747 176.519 0.101 0.000 1.215 185 W CA 2.240 59.637 57.345 0.087 0.000 1.244 185 W CB -0.390 29.130 29.460 0.100 0.000 1.140 185 W HN -0.139 nan 8.180 nan 0.000 0.523 186 T N 0.149 114.920 114.554 0.362 0.000 2.701 186 T HA -0.271 4.079 4.350 0.000 0.000 0.263 186 T C 1.431 176.122 174.700 -0.015 0.000 1.040 186 T CA 1.770 63.961 62.100 0.151 0.000 1.147 186 T CB -0.710 68.258 68.868 0.166 0.000 0.865 186 T HN 0.333 nan 8.240 nan 0.000 0.426 187 N N 1.591 120.289 118.700 -0.002 0.000 2.104 187 N HA -0.120 4.620 4.740 0.000 0.000 0.190 187 N C 1.674 177.146 175.510 -0.063 0.000 1.024 187 N CA 1.744 54.769 53.050 -0.042 0.000 0.853 187 N CB -0.402 38.062 38.487 -0.037 0.000 1.008 187 N HN 0.479 nan 8.380 nan 0.000 0.424 188 N N -1.497 117.162 118.700 -0.070 0.000 2.216 188 N HA -0.162 4.579 4.740 0.000 0.000 0.183 188 N C 1.591 177.009 175.510 -0.153 0.000 1.017 188 N CA 0.503 53.491 53.050 -0.104 0.000 0.861 188 N CB -0.247 38.186 38.487 -0.090 0.000 0.986 188 N HN 0.272 nan 8.380 nan 0.000 0.428 189 F N 1.509 121.211 119.950 -0.413 0.000 2.161 189 F HA -0.176 4.352 4.527 0.000 0.000 0.300 189 F C 2.737 178.494 175.800 -0.072 0.000 1.089 189 F CA 1.517 59.277 58.000 -0.401 0.000 1.282 189 F CB -0.546 37.944 39.000 -0.850 0.000 1.010 189 F HN -0.013 nan 8.300 nan 0.000 0.485 190 S N 0.076 115.813 115.700 0.061 0.000 2.387 190 S HA -0.111 4.360 4.470 0.000 0.000 0.226 190 S C 2.136 176.716 174.600 -0.034 0.000 1.026 190 S CA 1.206 59.416 58.200 0.017 0.000 0.972 190 S CB -0.484 62.659 63.200 -0.096 0.000 0.814 190 S HN 0.455 nan 8.310 nan 0.000 0.477 191 L N 0.991 122.165 121.223 -0.082 0.000 2.083 191 L HA -0.045 4.295 4.340 0.000 0.000 0.209 191 L C 2.443 179.239 176.870 -0.124 0.000 1.083 191 L CA 1.020 55.805 54.840 -0.091 0.000 0.752 191 L CB -0.511 41.490 42.059 -0.097 0.000 0.899 191 L HN 0.251 nan 8.230 nan 0.000 0.433 192 V N -1.206 118.582 119.914 -0.210 0.000 2.667 192 V HA -0.232 3.888 4.120 0.000 0.000 0.252 192 V C 1.567 177.394 176.094 -0.445 0.000 1.065 192 V CA 1.479 63.565 62.300 -0.357 0.000 1.083 192 V CB -0.673 30.834 31.823 -0.526 0.000 0.692 192 V HN 0.474 nan 8.190 nan 0.000 0.468 193 H N -0.336 118.595 119.070 -0.232 0.000 2.529 193 H HA 0.431 4.987 4.556 0.000 0.000 0.277 193 H C 1.502 176.847 175.328 0.029 0.000 1.004 193 H CA 0.569 56.522 56.048 -0.158 0.000 1.167 193 H CB 0.312 29.968 29.762 -0.178 0.000 1.445 193 H HN 0.425 nan 8.280 nan 0.000 0.554 194 G N 1.660 110.525 108.800 0.110 0.000 2.203 194 G HA2 -0.315 3.645 3.960 0.000 0.000 0.231 194 G HA3 -0.315 3.645 3.960 0.000 0.000 0.231 194 G C -0.555 174.541 174.900 0.326 0.000 1.058 194 G CA -0.024 45.184 45.100 0.180 0.000 0.781 194 G HN 0.621 nan 8.290 nan 0.000 0.496 195 N N -2.218 116.607 118.700 0.209 0.000 3.118 195 N HA -0.136 4.604 4.740 0.000 0.000 0.273 195 N C 0.811 176.421 175.510 0.166 0.000 1.781 195 N CA 0.805 53.932 53.050 0.128 0.000 1.752 195 N CB -1.064 37.533 38.487 0.182 0.000 0.755 195 N HN 0.659 nan 8.380 nan 0.000 0.493 196 L N 3.783 124.975 121.223 -0.053 0.000 2.450 196 L HA 0.072 4.412 4.340 0.000 0.000 0.224 196 L C 1.780 178.576 176.870 -0.122 0.000 1.149 196 L CA 1.153 55.871 54.840 -0.204 0.000 0.816 196 L CB -0.570 41.179 42.059 -0.516 0.000 0.932 196 L HN 0.625 nan 8.230 nan 0.000 0.449 197 F N -1.889 117.950 119.950 -0.184 0.000 2.546 197 F HA -0.147 4.380 4.527 0.000 0.000 0.298 197 F C 1.664 177.351 175.800 -0.189 0.000 1.120 197 F CA 0.558 58.462 58.000 -0.160 0.000 1.456 197 F CB -0.745 38.088 39.000 -0.279 0.000 1.088 197 F HN 0.174 nan 8.300 nan 0.000 0.572 198 Y N -1.572 118.900 120.300 0.286 0.000 2.462 198 Y HA 0.118 4.668 4.550 0.000 0.000 0.261 198 Y C 1.094 177.074 175.900 0.133 0.000 1.146 198 Y CA -0.507 57.764 58.100 0.286 0.000 1.283 198 Y CB -0.499 38.218 38.460 0.430 0.000 1.090 198 Y HN -0.184 nan 8.280 nan 0.000 0.526 199 N N 3.134 121.749 118.700 -0.142 0.000 2.405 199 N HA 0.023 4.763 4.740 0.000 0.000 0.260 199 N C -1.925 173.321 175.510 -0.439 0.000 1.152 199 N CA -1.430 51.058 53.050 -0.937 0.000 0.948 199 N CB 1.201 38.886 38.487 -1.336 0.000 1.111 199 N HN 0.062 nan 8.380 nan 0.000 0.485 200 P HA -0.037 nan 4.420 nan 0.000 0.229 200 P C 1.105 178.152 177.300 -0.422 0.000 1.160 200 P CA 0.694 63.602 63.100 -0.321 0.000 0.777 200 P CB 0.081 31.616 31.700 -0.275 0.000 0.814 201 F N -0.206 119.631 119.950 -0.188 0.000 2.146 201 F HA -0.128 4.400 4.527 0.000 0.000 0.298 201 F C 2.865 178.630 175.800 -0.058 0.000 1.096 201 F CA 1.189 59.137 58.000 -0.087 0.000 1.275 201 F CB -1.601 37.347 39.000 -0.087 0.000 1.008 201 F HN 0.102 nan 8.300 nan 0.000 0.480 202 H N -0.116 118.930 119.070 -0.041 0.000 2.353 202 H HA -0.146 4.410 4.556 0.000 0.000 0.298 202 H C 2.358 177.651 175.328 -0.059 0.000 1.103 202 H CA 1.543 57.567 56.048 -0.041 0.000 1.293 202 H CB -0.434 29.283 29.762 -0.075 0.000 1.372 202 H HN 0.348 nan 8.280 nan 0.000 0.501 203 G N 0.841 109.577 108.800 -0.106 0.000 2.403 203 G HA2 -0.167 3.793 3.960 0.000 0.000 0.216 203 G HA3 -0.167 3.793 3.960 0.000 0.000 0.216 203 G C 1.742 176.484 174.900 -0.264 0.000 1.154 203 G CA 0.297 45.274 45.100 -0.204 0.000 0.784 203 G HN 0.253 nan 8.290 nan 0.000 0.538 204 L N 1.114 122.221 121.223 -0.193 0.000 2.027 204 L HA 0.045 4.386 4.340 0.000 0.000 0.206 204 L C 2.996 179.716 176.870 -0.250 0.000 1.074 204 L CA 1.847 56.552 54.840 -0.225 0.000 0.745 204 L CB -1.047 41.015 42.059 0.005 0.000 0.898 204 L HN 0.272 nan 8.230 nan 0.000 0.433 205 S N -0.745 114.930 115.700 -0.041 0.000 2.383 205 S HA -0.168 4.303 4.470 0.000 0.000 0.229 205 S C 2.070 176.587 174.600 -0.139 0.000 1.030 205 S CA 1.330 59.557 58.200 0.045 0.000 1.002 205 S CB -0.190 63.030 63.200 0.033 0.000 0.829 205 S HN 0.382 nan 8.310 nan 0.000 0.467 206 I N 1.204 121.552 120.570 -0.370 0.000 2.315 206 I HA -0.132 4.039 4.170 0.000 0.000 0.248 206 I C 2.652 178.389 176.117 -0.633 0.000 1.117 206 I CA 0.956 61.903 61.300 -0.589 0.000 1.404 206 I CB -0.428 37.130 38.000 -0.737 0.000 1.071 206 I HN 0.347 nan 8.210 nan 0.000 0.419 207 A N 0.777 123.296 122.820 -0.502 0.000 1.908 207 A HA -0.219 4.102 4.320 0.000 0.000 0.218 207 A C 1.991 179.410 177.584 -0.276 0.000 1.181 207 A CA 1.713 53.499 52.037 -0.418 0.000 0.627 207 A CB -0.885 17.770 19.000 -0.576 0.000 0.818 207 A HN 0.357 nan 8.150 nan 0.000 0.445 208 F N -1.088 118.858 119.950 -0.007 0.000 2.325 208 F HA 0.033 4.561 4.527 0.000 0.000 0.299 208 F C 1.919 177.766 175.800 0.078 0.000 1.090 208 F CA 0.636 58.674 58.000 0.063 0.000 1.392 208 F CB -0.650 38.399 39.000 0.082 0.000 1.053 208 F HN 0.215 nan 8.300 nan 0.000 0.521 209 L N -1.113 120.208 121.223 0.163 0.000 2.023 209 L HA -0.184 4.156 4.340 0.000 0.000 0.205 209 L C 2.316 179.342 176.870 0.261 0.000 1.073 209 L CA 1.727 56.664 54.840 0.163 0.000 0.745 209 L CB -1.010 41.082 42.059 0.055 0.000 0.900 209 L HN 0.001 nan 8.230 nan 0.000 0.435 210 Y N 0.275 120.613 120.300 0.065 0.000 2.151 210 Y HA -0.152 4.398 4.550 0.000 0.000 0.284 210 Y C 2.528 178.471 175.900 0.072 0.000 1.166 210 Y CA 0.974 59.102 58.100 0.047 0.000 1.163 210 Y CB -1.582 36.880 38.460 0.002 0.000 0.974 210 Y HN 0.289 nan 8.280 nan 0.000 0.511 211 G N -1.462 107.498 108.800 0.266 0.000 2.408 211 G HA2 -0.198 3.762 3.960 0.000 0.000 0.217 211 G HA3 -0.198 3.762 3.960 0.000 0.000 0.217 211 G C 2.023 177.045 174.900 0.204 0.000 1.150 211 G CA 1.050 46.277 45.100 0.211 0.000 0.776 211 G HN 0.372 nan 8.290 nan 0.000 0.542 212 S N 0.917 116.756 115.700 0.232 0.000 2.370 212 S HA -0.044 4.426 4.470 0.000 0.000 0.226 212 S C 2.779 177.518 174.600 0.231 0.000 1.033 212 S CA 1.269 59.601 58.200 0.219 0.000 1.011 212 S CB -0.335 62.999 63.200 0.223 0.000 0.852 212 S HN 0.581 nan 8.310 nan 0.000 0.457 213 A N 1.408 124.356 122.820 0.213 0.000 1.873 213 A HA -0.029 4.291 4.320 0.000 0.000 0.215 213 A C 2.097 179.777 177.584 0.160 0.000 1.186 213 A CA 1.380 53.527 52.037 0.184 0.000 0.616 213 A CB -0.776 18.310 19.000 0.144 0.000 0.823 213 A HN 0.430 nan 8.150 nan 0.000 0.442 214 L N -0.701 120.602 121.223 0.134 0.000 2.012 214 L HA -0.148 4.192 4.340 0.000 0.000 0.210 214 L C 2.207 179.131 176.870 0.090 0.000 1.073 214 L CA 2.277 57.175 54.840 0.096 0.000 0.748 214 L CB -0.802 41.303 42.059 0.077 0.000 0.891 214 L HN 0.335 nan 8.230 nan 0.000 0.431 215 L N -1.766 119.515 121.223 0.097 0.000 2.023 215 L HA -0.096 4.244 4.340 0.000 0.000 0.205 215 L C 2.262 179.234 176.870 0.170 0.000 1.073 215 L CA 1.549 56.419 54.840 0.051 0.000 0.745 215 L CB -0.933 41.139 42.059 0.022 0.000 0.900 215 L HN 0.259 nan 8.230 nan 0.000 0.435 216 F N 0.348 120.342 119.950 0.075 0.000 2.269 216 F HA -0.080 4.448 4.527 0.000 0.000 0.301 216 F C 2.332 178.174 175.800 0.071 0.000 1.082 216 F CA 0.648 58.705 58.000 0.095 0.000 1.360 216 F CB -0.934 38.122 39.000 0.094 0.000 1.041 216 F HN 0.204 nan 8.300 nan 0.000 0.512 217 A N -0.163 122.821 122.820 0.273 0.000 1.873 217 A HA -0.206 4.114 4.320 0.000 0.000 0.215 217 A C 2.354 180.041 177.584 0.172 0.000 1.186 217 A CA 1.742 53.872 52.037 0.155 0.000 0.616 217 A CB -0.645 18.420 19.000 0.109 0.000 0.823 217 A HN 0.367 nan 8.150 nan 0.000 0.442 218 M N -1.937 117.769 119.600 0.177 0.000 2.067 218 M HA -0.149 4.331 4.480 0.000 0.000 0.260 218 M C 2.347 178.791 176.300 0.239 0.000 1.069 218 M CA 2.023 57.446 55.300 0.204 0.000 1.117 218 M CB -0.525 32.043 32.600 -0.052 0.000 1.334 218 M HN 0.670 nan 8.290 nan 0.000 0.407 219 H N 0.113 119.228 119.070 0.076 0.000 2.293 219 H HA -0.070 4.487 4.556 0.000 0.000 0.300 219 H C 1.950 177.364 175.328 0.142 0.000 1.082 219 H CA 2.103 58.188 56.048 0.062 0.000 1.308 219 H CB -0.782 28.959 29.762 -0.034 0.000 1.375 219 H HN 0.329 nan 8.280 nan 0.000 0.495 220 G N -0.041 108.833 108.800 0.124 0.000 2.459 220 G HA2 -0.278 3.682 3.960 0.000 0.000 0.217 220 G HA3 -0.278 3.682 3.960 0.000 0.000 0.217 220 G C 1.942 176.803 174.900 -0.065 0.000 1.183 220 G CA 1.469 46.560 45.100 -0.015 0.000 0.776 220 G HN 0.629 nan 8.290 nan 0.000 0.552 221 A N -0.104 122.709 122.820 -0.011 0.000 2.019 221 A HA 0.039 4.359 4.320 0.000 0.000 0.219 221 A C 2.505 180.040 177.584 -0.083 0.000 1.164 221 A CA 2.384 54.388 52.037 -0.055 0.000 0.644 221 A CB -0.681 18.302 19.000 -0.027 0.000 0.805 221 A HN 0.338 nan 8.150 nan 0.000 0.449 222 T N 0.414 114.961 114.554 -0.012 0.000 2.698 222 T HA -0.060 4.290 4.350 0.000 0.000 0.260 222 T C 1.792 176.464 174.700 -0.046 0.000 1.044 222 T CA 1.272 63.362 62.100 -0.016 0.000 1.149 222 T CB -0.263 68.734 68.868 0.214 0.000 0.864 222 T HN 0.276 nan 8.240 nan 0.000 0.419 223 I N 1.465 121.996 120.570 -0.064 0.000 2.194 223 I HA -0.108 4.063 4.170 0.000 0.000 0.246 223 I C 2.336 178.403 176.117 -0.085 0.000 1.093 223 I CA 1.252 62.508 61.300 -0.074 0.000 1.355 223 I CB -1.322 36.578 38.000 -0.166 0.000 1.046 223 I HN 0.265 nan 8.210 nan 0.000 0.413 224 L N 0.329 121.480 121.223 -0.120 0.000 2.093 224 L HA -0.156 4.185 4.340 0.000 0.000 0.208 224 L C 2.689 179.471 176.870 -0.146 0.000 1.085 224 L CA 1.226 55.979 54.840 -0.145 0.000 0.755 224 L CB -0.642 41.315 42.059 -0.170 0.000 0.904 224 L HN 0.182 nan 8.230 nan 0.000 0.435 225 A N -0.129 122.607 122.820 -0.139 0.000 2.019 225 A HA -0.106 4.215 4.320 0.000 0.000 0.219 225 A C 1.840 179.373 177.584 -0.085 0.000 1.164 225 A CA 1.736 53.685 52.037 -0.146 0.000 0.644 225 A CB -0.462 18.413 19.000 -0.209 0.000 0.805 225 A HN 0.365 nan 8.150 nan 0.000 0.449 226 V N -2.434 117.465 119.914 -0.025 0.000 3.276 226 V HA 0.151 4.272 4.120 0.000 0.000 0.319 226 V C 1.465 177.583 176.094 0.040 0.000 1.427 226 V CA 0.783 63.153 62.300 0.116 0.000 1.102 226 V CB -0.605 31.365 31.823 0.245 0.000 1.020 226 V HN 0.497 nan 8.190 nan 0.000 0.456 227 S N 2.165 117.822 115.700 -0.070 0.000 2.447 227 S HA -0.193 4.277 4.470 0.000 0.000 0.233 227 S C 1.904 176.417 174.600 -0.145 0.000 1.006 227 S CA 1.048 59.205 58.200 -0.072 0.000 0.957 227 S CB -0.729 62.420 63.200 -0.085 0.000 0.773 227 S HN 0.855 nan 8.310 nan 0.000 0.507 228 R N 0.336 120.649 120.500 -0.312 0.000 2.397 228 R HA 0.004 4.344 4.340 0.000 0.000 0.213 228 R C -0.007 175.897 176.300 -0.660 0.000 1.102 228 R CA 1.005 56.806 56.100 -0.498 0.000 1.040 228 R CB -0.765 29.121 30.300 -0.689 0.000 0.844 228 R HN 0.560 nan 8.270 nan 0.000 0.478 229 F N -0.236 119.710 119.950 -0.006 0.000 2.815 229 F HA 0.425 4.952 4.527 0.000 0.000 0.323 229 F C 0.954 176.754 175.800 0.000 0.000 1.151 229 F CA -0.491 57.508 58.000 -0.002 0.000 1.191 229 F CB 1.121 40.117 39.000 -0.006 0.000 1.069 229 F HN 0.139 nan 8.300 nan 0.000 0.514 230 G N 0.838 109.698 108.800 0.100 0.000 2.256 230 G HA2 -0.234 3.726 3.960 0.000 0.000 0.272 230 G HA3 -0.234 3.726 3.960 0.000 0.000 0.272 230 G C 1.296 176.242 174.900 0.076 0.000 1.076 230 G CA 0.212 45.352 45.100 0.067 0.000 0.882 230 G HN 0.725 nan 8.290 nan 0.000 0.497 231 G N 0.978 109.828 108.800 0.083 0.000 2.440 231 G HA2 -0.139 3.821 3.960 0.000 0.000 0.218 231 G HA3 -0.139 3.821 3.960 0.000 0.000 0.218 231 G C 1.528 176.464 174.900 0.059 0.000 1.154 231 G CA 1.450 46.600 45.100 0.084 0.000 0.767 231 G HN 0.903 nan 8.290 nan 0.000 0.552 232 E N 1.076 121.293 120.200 0.028 0.000 2.331 232 E HA -0.149 4.201 4.350 0.000 0.000 0.199 232 E C 0.998 177.616 176.600 0.029 0.000 1.008 232 E CA 0.377 56.788 56.400 0.019 0.000 0.843 232 E CB -0.284 29.409 29.700 -0.012 0.000 0.761 232 E HN 0.344 nan 8.360 nan 0.000 0.507 233 R N 1.542 122.061 120.500 0.032 0.000 4.138 233 R HA 0.130 4.471 4.340 0.000 0.000 0.206 233 R C 0.851 177.169 176.300 0.030 0.000 1.667 233 R CA -0.039 56.075 56.100 0.023 0.000 1.481 233 R CB 0.090 30.402 30.300 0.021 0.000 1.388 233 R HN 0.274 nan 8.270 nan 0.000 0.776 234 E N 0.686 120.906 120.200 0.034 0.000 2.150 234 E HA -0.179 4.172 4.350 0.000 0.000 0.193 234 E C 1.335 177.942 176.600 0.011 0.000 0.985 234 E CA 0.923 57.354 56.400 0.052 0.000 0.814 234 E CB 0.081 29.831 29.700 0.083 0.000 0.752 234 E HN 0.475 nan 8.360 nan 0.000 0.466 235 L N 0.745 121.956 121.223 -0.021 0.000 2.027 235 L HA -0.174 4.166 4.340 0.000 0.000 0.206 235 L C 2.564 179.427 176.870 -0.012 0.000 1.074 235 L CA 1.070 55.890 54.840 -0.033 0.000 0.745 235 L CB -0.211 41.818 42.059 -0.049 0.000 0.898 235 L HN 0.064 nan 8.230 nan 0.000 0.433 236 E N -0.249 119.949 120.200 -0.003 0.000 2.150 236 E HA -0.191 4.159 4.350 0.000 0.000 0.193 236 E C 2.252 178.860 176.600 0.014 0.000 0.985 236 E CA 0.977 57.379 56.400 0.004 0.000 0.814 236 E CB 0.051 29.756 29.700 0.007 0.000 0.752 236 E HN 0.292 nan 8.360 nan 0.000 0.466 237 Q N -0.238 119.577 119.800 0.024 0.000 2.167 237 Q HA -0.093 4.248 4.340 0.000 0.000 0.202 237 Q C 2.324 178.343 176.000 0.031 0.000 0.970 237 Q CA 0.962 56.785 55.803 0.034 0.000 0.855 237 Q CB -0.045 28.725 28.738 0.053 0.000 0.911 237 Q HN 0.437 nan 8.270 nan 0.000 0.438 238 I N 0.299 120.886 120.570 0.028 0.000 2.252 238 I HA -0.214 3.956 4.170 0.000 0.000 0.245 238 I C 2.183 178.309 176.117 0.015 0.000 1.102 238 I CA 1.011 62.326 61.300 0.025 0.000 1.385 238 I CB -0.270 37.738 38.000 0.013 0.000 1.064 238 I HN 0.037 nan 8.210 nan 0.000 0.414 239 A N -0.911 121.913 122.820 0.008 0.000 2.119 239 A HA -0.112 4.208 4.320 0.000 0.000 0.216 239 A C 0.439 178.028 177.584 0.007 0.000 1.152 239 A CA 1.139 53.179 52.037 0.004 0.000 0.708 239 A CB -0.075 18.924 19.000 -0.001 0.000 0.805 239 A HN 0.417 nan 8.150 nan 0.000 0.460 240 D N -1.388 119.019 120.400 0.011 0.000 2.362 240 D HA 0.110 4.751 4.640 0.000 0.000 0.228 240 D C -0.590 175.718 176.300 0.012 0.000 1.326 240 D CA -0.353 53.653 54.000 0.010 0.000 0.927 240 D CB 0.222 41.027 40.800 0.009 0.000 1.501 240 D HN 0.212 nan 8.370 nan 0.000 0.519 241 R N 1.742 122.249 120.500 0.012 0.000 2.486 241 R HA 0.398 4.738 4.340 0.000 0.000 0.303 241 R C 0.442 176.742 176.300 0.001 0.000 0.958 241 R CA 0.509 56.615 56.100 0.010 0.000 1.077 241 R CB 0.279 30.583 30.300 0.007 0.000 0.921 241 R HN 0.401 nan 8.270 nan 0.000 0.406 242 G N 0.800 109.600 108.800 0.001 0.000 2.552 242 G HA2 0.049 4.009 3.960 0.000 0.000 0.318 242 G HA3 0.049 4.009 3.960 0.000 0.000 0.318 242 G C 0.627 175.495 174.900 -0.054 0.000 1.240 242 G CA -0.308 44.785 45.100 -0.011 0.000 1.002 242 G HN 0.607 nan 8.290 nan 0.000 0.493 243 T N -0.675 113.816 114.554 -0.106 0.000 2.881 243 T HA -0.057 4.294 4.350 0.000 0.000 0.270 243 T C 2.538 177.071 174.700 -0.277 0.000 1.068 243 T CA 2.277 64.239 62.100 -0.230 0.000 1.131 243 T CB -0.523 68.122 68.868 -0.371 0.000 0.871 243 T HN 0.668 nan 8.240 nan 0.000 0.479 244 A N 1.482 124.212 122.820 -0.151 0.000 1.859 244 A HA 0.115 4.436 4.320 0.000 0.000 0.217 244 A C 2.819 180.396 177.584 -0.011 0.000 1.198 244 A CA 2.316 54.348 52.037 -0.009 0.000 0.629 244 A CB -1.608 17.471 19.000 0.132 0.000 0.830 244 A HN 0.730 nan 8.150 nan 0.000 0.446 245 A N -0.601 122.221 122.820 0.004 0.000 1.986 245 A HA -0.218 4.102 4.320 0.000 0.000 0.220 245 A C 1.945 179.520 177.584 -0.016 0.000 1.171 245 A CA 1.865 53.913 52.037 0.019 0.000 0.640 245 A CB -0.550 18.465 19.000 0.025 0.000 0.811 245 A HN 0.699 nan 8.150 nan 0.000 0.451 246 E N -0.718 119.442 120.200 -0.067 0.000 2.046 246 E HA -0.131 4.219 4.350 0.000 0.000 0.190 246 E C 2.355 178.868 176.600 -0.145 0.000 0.982 246 E CA 0.873 57.214 56.400 -0.099 0.000 0.800 246 E CB -0.175 29.455 29.700 -0.116 0.000 0.756 246 E HN 0.558 nan 8.360 nan 0.000 0.449 247 R N 0.688 121.081 120.500 -0.178 0.000 2.096 247 R HA -0.082 4.258 4.340 0.000 0.000 0.235 247 R C 2.364 178.599 176.300 -0.108 0.000 1.127 247 R CA 0.994 56.978 56.100 -0.193 0.000 0.968 247 R CB -0.288 29.879 30.300 -0.220 0.000 0.861 247 R HN 0.091 nan 8.270 nan 0.000 0.440 248 A N 1.507 124.309 122.820 -0.031 0.000 1.845 248 A HA -0.150 4.170 4.320 0.000 0.000 0.215 248 A C 2.418 180.091 177.584 0.148 0.000 1.195 248 A CA 1.804 53.883 52.037 0.071 0.000 0.616 248 A CB -0.842 18.223 19.000 0.109 0.000 0.832 248 A HN 0.386 nan 8.150 nan 0.000 0.443 249 A N -0.475 122.387 122.820 0.070 0.000 1.883 249 A HA -0.064 4.256 4.320 0.000 0.000 0.217 249 A C 2.226 179.790 177.584 -0.034 0.000 1.186 249 A CA 1.609 53.681 52.037 0.059 0.000 0.624 249 A CB -0.643 18.361 19.000 0.006 0.000 0.822 249 A HN 0.480 nan 8.150 nan 0.000 0.444 250 L N -1.995 119.102 121.223 -0.210 0.000 2.056 250 L HA -0.132 4.208 4.340 0.000 0.000 0.207 250 L C 2.502 178.980 176.870 -0.654 0.000 1.078 250 L CA 1.612 56.110 54.840 -0.570 0.000 0.749 250 L CB -0.626 40.927 42.059 -0.843 0.000 0.901 250 L HN 0.550 nan 8.230 nan 0.000 0.433 251 F N -0.071 119.554 119.950 -0.541 0.000 2.115 251 F HA -0.292 4.236 4.527 0.000 0.000 0.300 251 F C 1.950 177.517 175.800 -0.388 0.000 1.092 251 F CA 1.699 59.410 58.000 -0.482 0.000 1.245 251 F CB -0.426 38.258 39.000 -0.527 0.000 0.995 251 F HN 0.003 nan 8.300 nan 0.000 0.481 252 W N 0.300 121.526 121.300 -0.124 0.000 2.453 252 W HA 0.038 4.699 4.660 0.001 0.000 0.289 252 W C 2.804 179.181 176.519 -0.236 0.000 1.215 252 W CA 0.853 58.085 57.345 -0.187 0.000 1.297 252 W CB -0.392 29.023 29.460 -0.076 0.000 1.113 252 W HN -0.128 nan 8.180 nan 0.000 0.551 253 R N -0.247 120.263 120.500 0.017 0.000 2.073 253 R HA -0.194 4.147 4.340 0.000 0.000 0.234 253 R C 1.894 178.302 176.300 0.180 0.000 1.134 253 R CA 2.075 58.216 56.100 0.068 0.000 0.952 253 R CB -0.691 29.638 30.300 0.048 0.000 0.850 253 R HN 0.101 nan 8.270 nan 0.000 0.433 254 W N 0.338 121.567 121.300 -0.119 0.000 2.425 254 W HA 0.010 4.670 4.660 0.000 0.000 0.277 254 W C 2.073 178.468 176.519 -0.207 0.000 1.231 254 W CA 0.990 58.242 57.345 -0.153 0.000 1.248 254 W CB -0.938 28.410 29.460 -0.187 0.000 1.117 254 W HN 0.145 nan 8.180 nan 0.000 0.568 255 T N 0.477 114.963 114.554 -0.112 0.000 2.735 255 T HA -0.104 4.246 4.350 0.000 0.000 0.256 255 T C 1.723 176.439 174.700 0.027 0.000 1.042 255 T CA 1.816 63.821 62.100 -0.158 0.000 1.147 255 T CB -0.279 68.337 68.868 -0.421 0.000 0.865 255 T HN 0.200 nan 8.240 nan 0.000 0.421 256 M N -0.930 118.735 119.600 0.108 0.000 2.300 256 M HA 0.550 5.030 4.480 0.000 0.000 0.313 256 M C 1.336 177.799 176.300 0.271 0.000 0.988 256 M CA 0.542 55.952 55.300 0.184 0.000 1.012 256 M CB 1.194 33.929 32.600 0.225 0.000 1.586 256 M HN 0.376 nan 8.290 nan 0.000 0.562 257 G N 2.045 110.988 108.800 0.237 0.000 2.232 257 G HA2 -0.226 3.734 3.960 0.000 0.000 0.226 257 G HA3 -0.226 3.734 3.960 0.000 0.000 0.226 257 G C -0.176 174.945 174.900 0.369 0.000 0.996 257 G CA 0.252 45.514 45.100 0.270 0.000 0.626 257 G HN 0.741 nan 8.290 nan 0.000 0.509 258 F N 0.621 120.613 119.950 0.069 0.000 2.824 258 F HA 0.837 5.364 4.527 0.001 0.000 0.330 258 F C -0.661 175.176 175.800 0.061 0.000 1.175 258 F CA -1.511 56.527 58.000 0.063 0.000 0.974 258 F CB 0.788 39.818 39.000 0.049 0.000 1.430 258 F HN 0.542 nan 8.300 nan 0.000 0.507 259 N N 0.448 119.032 118.700 -0.193 0.000 3.185 259 N HA 0.565 5.306 4.740 0.000 0.000 0.238 259 N C -2.066 173.401 175.510 -0.072 0.000 1.451 259 N CA -0.602 52.306 53.050 -0.237 0.000 0.888 259 N CB 1.734 40.191 38.487 -0.050 0.000 1.413 259 N HN 1.102 nan 8.380 nan 0.000 0.511 260 A N 0.146 122.914 122.820 -0.087 0.000 2.256 260 A HA 0.754 5.074 4.320 0.000 0.000 0.318 260 A C 0.441 178.059 177.584 0.056 0.000 1.103 260 A CA -0.182 51.877 52.037 0.036 0.000 0.860 260 A CB 0.581 19.572 19.000 -0.015 0.000 1.182 260 A HN 0.813 nan 8.150 nan 0.000 0.501 261 T N -1.829 112.775 114.554 0.084 0.000 2.936 261 T HA 0.425 4.775 4.350 0.000 0.000 0.282 261 T C 1.009 175.755 174.700 0.077 0.000 1.003 261 T CA -0.134 62.008 62.100 0.071 0.000 1.005 261 T CB 0.792 69.702 68.868 0.070 0.000 1.097 261 T HN 0.450 nan 8.240 nan 0.000 0.532 262 M N 0.266 119.920 119.600 0.089 0.000 2.117 262 M HA -0.012 4.469 4.480 0.000 0.000 0.262 262 M C 2.310 178.733 176.300 0.206 0.000 1.065 262 M CA 1.726 57.108 55.300 0.136 0.000 1.114 262 M CB -0.658 32.022 32.600 0.133 0.000 1.361 262 M HN 0.906 nan 8.290 nan 0.000 0.408 263 E N -1.042 119.241 120.200 0.138 0.000 2.072 263 E HA -0.147 4.203 4.350 0.000 0.000 0.191 263 E C 1.940 178.621 176.600 0.135 0.000 0.985 263 E CA 1.209 57.687 56.400 0.130 0.000 0.801 263 E CB -0.423 29.314 29.700 0.061 0.000 0.750 263 E HN 0.642 nan 8.360 nan 0.000 0.452 264 G N 1.832 110.694 108.800 0.105 0.000 2.491 264 G HA2 -0.306 3.654 3.960 0.000 0.000 0.218 264 G HA3 -0.306 3.654 3.960 0.000 0.000 0.218 264 G C 1.529 176.520 174.900 0.151 0.000 1.180 264 G CA 0.942 46.108 45.100 0.109 0.000 0.774 264 G HN 0.324 nan 8.290 nan 0.000 0.562 265 I N 1.139 121.753 120.570 0.073 0.000 2.248 265 I HA -0.192 3.979 4.170 0.000 0.000 0.248 265 I C 2.310 178.287 176.117 -0.235 0.000 1.107 265 I CA 1.269 62.512 61.300 -0.096 0.000 1.373 265 I CB -0.768 37.000 38.000 -0.387 0.000 1.055 265 I HN 0.344 nan 8.210 nan 0.000 0.418 266 H N -0.591 118.420 119.070 -0.099 0.000 2.529 266 H HA 0.112 4.668 4.556 0.000 0.000 0.277 266 H C 2.171 177.479 175.328 -0.033 0.000 0.999 266 H CA 0.700 56.676 56.048 -0.119 0.000 1.256 266 H CB 0.027 29.726 29.762 -0.106 0.000 1.402 266 H HN 0.297 nan 8.280 nan 0.000 0.566 267 R N -0.655 119.905 120.500 0.101 0.000 2.093 267 R HA -0.102 4.238 4.340 0.000 0.000 0.224 267 R C 1.412 177.790 176.300 0.129 0.000 1.101 267 R CA 0.976 57.133 56.100 0.094 0.000 0.979 267 R CB -0.267 30.059 30.300 0.042 0.000 0.877 267 R HN 0.390 nan 8.270 nan 0.000 0.441 268 W N 1.525 122.850 121.300 0.041 0.000 2.335 268 W HA -0.219 4.441 4.660 0.000 0.000 0.311 268 W C 2.622 179.153 176.519 0.019 0.000 1.213 268 W CA 1.487 58.848 57.345 0.026 0.000 1.274 268 W CB -0.387 29.032 29.460 -0.069 0.000 1.148 268 W HN 0.170 nan 8.180 nan 0.000 0.498 269 A N 0.385 123.301 122.820 0.160 0.000 1.842 269 A HA -0.276 4.044 4.320 0.000 0.000 0.217 269 A C 1.956 179.561 177.584 0.035 0.000 1.206 269 A CA 1.952 53.993 52.037 0.008 0.000 0.630 269 A CB -1.310 17.599 19.000 -0.152 0.000 0.839 269 A HN 0.348 nan 8.150 nan 0.000 0.447 270 I N -2.191 118.382 120.570 0.005 0.000 2.335 270 I HA -0.277 3.893 4.170 0.000 0.000 0.251 270 I C 2.227 178.291 176.117 -0.089 0.000 1.129 270 I CA 1.567 62.823 61.300 -0.074 0.000 1.402 270 I CB -0.126 37.776 38.000 -0.163 0.000 1.069 270 I HN 0.648 nan 8.210 nan 0.000 0.424 271 W N -0.189 121.097 121.300 -0.023 0.000 2.494 271 W HA -0.153 4.507 4.660 0.000 0.000 0.286 271 W C 2.439 178.896 176.519 -0.104 0.000 1.218 271 W CA 0.473 57.771 57.345 -0.077 0.000 1.313 271 W CB -0.182 29.206 29.460 -0.121 0.000 1.105 271 W HN 0.107 nan 8.180 nan 0.000 0.561 272 M N 0.800 120.528 119.600 0.212 0.000 2.159 272 M HA -0.085 4.395 4.480 0.000 0.000 0.263 272 M C 1.980 178.353 176.300 0.121 0.000 1.063 272 M CA 2.341 57.734 55.300 0.156 0.000 1.110 272 M CB -0.518 32.223 32.600 0.235 0.000 1.374 272 M HN -0.053 nan 8.290 nan 0.000 0.411 273 A N -1.438 121.448 122.820 0.110 0.000 1.935 273 A HA 0.028 4.348 4.320 0.000 0.000 0.214 273 A C 2.123 179.763 177.584 0.094 0.000 1.178 273 A CA 1.296 53.401 52.037 0.113 0.000 0.640 273 A CB -0.956 18.101 19.000 0.094 0.000 0.825 273 A HN 0.324 nan 8.150 nan 0.000 0.447 274 V N 0.268 120.218 119.914 0.060 0.000 2.626 274 V HA -0.157 3.963 4.120 0.000 0.000 0.252 274 V C 2.326 178.467 176.094 0.078 0.000 1.067 274 V CA 1.463 63.796 62.300 0.055 0.000 1.081 274 V CB -0.445 31.353 31.823 -0.042 0.000 0.686 274 V HN 0.560 nan 8.190 nan 0.000 0.468 275 L N -1.188 120.033 121.223 -0.002 0.000 2.395 275 L HA -0.064 4.277 4.340 0.000 0.000 0.218 275 L C 2.334 179.233 176.870 0.049 0.000 1.130 275 L CA 0.456 55.202 54.840 -0.156 0.000 0.826 275 L CB -0.334 41.191 42.059 -0.890 0.000 0.941 275 L HN 0.208 nan 8.230 nan 0.000 0.451 276 V N 0.268 120.271 119.914 0.148 0.000 2.255 276 V HA -0.303 3.817 4.120 0.000 0.000 0.247 276 V C 2.598 178.820 176.094 0.214 0.000 1.051 276 V CA 2.630 65.077 62.300 0.245 0.000 1.018 276 V CB -0.719 31.226 31.823 0.203 0.000 0.641 276 V HN 0.658 nan 8.190 nan 0.000 0.445 277 T N -2.687 111.984 114.554 0.195 0.000 3.065 277 T HA 0.047 4.397 4.350 0.000 0.000 0.252 277 T C 1.664 176.565 174.700 0.335 0.000 1.099 277 T CA 0.581 62.809 62.100 0.215 0.000 1.063 277 T CB 0.137 69.121 68.868 0.193 0.000 0.948 277 T HN 0.213 nan 8.240 nan 0.000 0.506 278 L N 2.296 123.698 121.223 0.298 0.000 2.007 278 L HA 0.099 4.439 4.340 0.000 0.000 0.205 278 L C 2.568 179.637 176.870 0.332 0.000 1.073 278 L CA 1.969 56.995 54.840 0.311 0.000 0.744 278 L CB -1.248 40.893 42.059 0.137 0.000 0.898 278 L HN 0.207 nan 8.230 nan 0.000 0.435 279 T N -0.367 114.349 114.554 0.270 0.000 2.708 279 T HA -0.113 4.238 4.350 0.000 0.000 0.266 279 T C 1.747 176.588 174.700 0.236 0.000 1.037 279 T CA 1.227 63.507 62.100 0.300 0.000 1.146 279 T CB -1.155 67.985 68.868 0.452 0.000 0.865 279 T HN 0.569 nan 8.240 nan 0.000 0.435 280 G N 1.460 110.397 108.800 0.227 0.000 2.586 280 G HA2 -0.192 3.768 3.960 0.000 0.000 0.218 280 G HA3 -0.192 3.768 3.960 0.000 0.000 0.218 280 G C 1.773 176.706 174.900 0.055 0.000 1.216 280 G CA 1.213 46.401 45.100 0.145 0.000 0.786 280 G HN 0.581 nan 8.290 nan 0.000 0.583 281 G N 0.989 109.808 108.800 0.031 0.000 2.513 281 G HA2 -0.278 3.683 3.960 0.000 0.000 0.219 281 G HA3 -0.278 3.683 3.960 0.000 0.000 0.219 281 G C 1.817 176.612 174.900 -0.176 0.000 1.160 281 G CA 1.101 45.999 45.100 -0.337 0.000 0.767 281 G HN 0.480 nan 8.290 nan 0.000 0.571 282 I N 1.189 121.814 120.570 0.092 0.000 2.179 282 I HA -0.109 4.061 4.170 0.000 0.000 0.242 282 I C 3.154 179.126 176.117 -0.241 0.000 1.088 282 I CA 1.055 62.284 61.300 -0.119 0.000 1.357 282 I CB -0.705 37.019 38.000 -0.461 0.000 1.051 282 I HN 0.264 nan 8.210 nan 0.000 0.409 283 G N 1.537 110.232 108.800 -0.174 0.000 2.469 283 G HA2 -0.228 3.732 3.960 0.000 0.000 0.219 283 G HA3 -0.228 3.732 3.960 0.000 0.000 0.219 283 G C 1.563 176.500 174.900 0.061 0.000 1.150 283 G CA 0.673 45.796 45.100 0.038 0.000 0.763 283 G HN 0.219 nan 8.290 nan 0.000 0.561 284 I N 0.179 120.760 120.570 0.018 0.000 2.353 284 I HA 0.014 4.185 4.170 0.000 0.000 0.248 284 I C 2.567 178.735 176.117 0.086 0.000 1.119 284 I CA 0.487 61.811 61.300 0.041 0.000 1.417 284 I CB -0.967 36.971 38.000 -0.103 0.000 1.078 284 I HN 0.132 nan 8.210 nan 0.000 0.421 285 L N 0.843 122.069 121.223 0.005 0.000 2.093 285 L HA -0.095 4.245 4.340 0.000 0.000 0.208 285 L C 2.228 179.152 176.870 0.090 0.000 1.085 285 L CA 1.737 56.584 54.840 0.012 0.000 0.755 285 L CB -0.479 41.562 42.059 -0.030 0.000 0.904 285 L HN 0.115 nan 8.230 nan 0.000 0.435 286 L N -1.427 119.885 121.223 0.148 0.000 2.478 286 L HA 0.024 4.365 4.340 0.000 0.000 0.223 286 L C 0.892 177.892 176.870 0.217 0.000 1.140 286 L CA -0.051 54.906 54.840 0.195 0.000 0.842 286 L CB -0.407 41.839 42.059 0.312 0.000 0.953 286 L HN 0.021 nan 8.230 nan 0.000 0.452 287 S N 0.489 116.357 115.700 0.279 0.000 2.414 287 S HA 0.378 4.848 4.470 0.000 0.000 0.290 287 S C 1.070 175.681 174.600 0.019 0.000 1.160 287 S CA 0.505 58.812 58.200 0.178 0.000 1.069 287 S CB 0.659 63.967 63.200 0.180 0.000 1.012 287 S HN 0.571 nan 8.310 nan 0.000 0.510 288 G N 2.974 111.823 108.800 0.082 0.000 2.195 288 G HA2 -0.319 3.641 3.960 0.000 0.000 0.246 288 G HA3 -0.319 3.641 3.960 0.000 0.000 0.246 288 G C 0.862 175.792 174.900 0.049 0.000 0.984 288 G CA 0.724 45.915 45.100 0.151 0.000 0.633 288 G HN 0.800 nan 8.290 nan 0.000 0.525 289 T N -3.405 111.171 114.554 0.036 0.000 3.042 289 T HA 0.474 4.824 4.350 0.000 0.000 0.245 289 T C 1.879 176.581 174.700 0.004 0.000 1.029 289 T CA 1.609 63.721 62.100 0.020 0.000 1.120 289 T CB 0.518 69.407 68.868 0.035 0.000 0.917 289 T HN 0.608 nan 8.240 nan 0.000 0.467 290 V N 0.184 120.094 119.914 -0.006 0.000 3.431 290 V HA 0.413 4.533 4.120 0.000 0.000 0.255 290 V C -0.059 175.984 176.094 -0.085 0.000 1.403 290 V CA -0.096 62.196 62.300 -0.013 0.000 1.101 290 V CB 1.473 33.315 31.823 0.031 0.000 0.891 290 V HN 0.314 nan 8.190 nan 0.000 0.446 291 V N 0.622 120.415 119.914 -0.202 0.000 2.483 291 V HA 0.411 4.531 4.120 0.000 0.000 0.297 291 V C 0.378 176.242 176.094 -0.384 0.000 1.027 291 V CA -0.320 61.715 62.300 -0.441 0.000 0.855 291 V CB 1.824 32.988 31.823 -1.098 0.000 0.995 291 V HN 0.246 nan 8.190 nan 0.000 0.424 292 D N 2.818 123.057 120.400 -0.268 0.000 2.327 292 D HA 0.042 4.682 4.640 0.000 0.000 0.205 292 D C 0.264 176.443 176.300 -0.201 0.000 0.989 292 D CA 0.651 54.542 54.000 -0.182 0.000 0.873 292 D CB 0.569 41.285 40.800 -0.139 0.000 0.955 292 D HN 0.536 nan 8.370 nan 0.000 0.515 293 N N -0.442 118.103 118.700 -0.259 0.000 2.616 293 N HA -0.030 4.710 4.740 0.000 0.000 0.281 293 N C -0.295 175.157 175.510 -0.096 0.000 1.145 293 N CA -0.406 52.572 53.050 -0.120 0.000 0.919 293 N CB 0.031 38.502 38.487 -0.028 0.000 1.509 293 N HN -0.122 nan 8.380 nan 0.000 0.537 294 W N 1.924 123.341 121.300 0.195 0.000 2.425 294 W HA -0.074 4.586 4.660 0.001 0.000 0.277 294 W C 1.722 178.409 176.519 0.279 0.000 1.231 294 W CA 0.408 57.906 57.345 0.254 0.000 1.248 294 W CB -0.165 29.446 29.460 0.251 0.000 1.117 294 W HN 0.678 nan 8.180 nan 0.000 0.568 295 Y N 0.500 120.906 120.300 0.176 0.000 2.163 295 Y HA -0.231 4.319 4.550 0.000 0.000 0.288 295 Y C 2.198 178.010 175.900 -0.147 0.000 1.136 295 Y CA 1.912 59.850 58.100 -0.271 0.000 1.147 295 Y CB -0.779 37.515 38.460 -0.276 0.000 0.987 295 Y HN -0.218 nan 8.280 nan 0.000 0.509 296 V N -0.522 119.373 119.914 -0.031 0.000 2.343 296 V HA -0.305 3.815 4.120 0.000 0.000 0.247 296 V C 2.097 178.106 176.094 -0.142 0.000 1.051 296 V CA 2.013 64.227 62.300 -0.143 0.000 1.036 296 V CB -1.158 30.654 31.823 -0.017 0.000 0.654 296 V HN 0.714 nan 8.190 nan 0.000 0.451 297 W N 1.455 122.645 121.300 -0.182 0.000 2.358 297 W HA -0.094 4.566 4.660 0.000 0.000 0.303 297 W C 2.306 178.744 176.519 -0.135 0.000 1.208 297 W CA 1.760 59.027 57.345 -0.130 0.000 1.274 297 W CB -0.550 28.845 29.460 -0.109 0.000 1.138 297 W HN 0.247 nan 8.180 nan 0.000 0.515 298 G N -0.287 108.595 108.800 0.137 0.000 2.432 298 G HA2 -0.269 3.691 3.960 0.000 0.000 0.219 298 G HA3 -0.269 3.691 3.960 0.000 0.000 0.219 298 G C 1.425 175.989 174.900 -0.559 0.000 1.135 298 G CA 0.916 45.974 45.100 -0.070 0.000 0.767 298 G HN 0.247 nan 8.290 nan 0.000 0.550 299 Q N 0.319 119.756 119.800 -0.606 0.000 2.123 299 Q HA 0.007 4.347 4.340 0.000 0.000 0.199 299 Q C 2.255 177.903 176.000 -0.586 0.000 0.966 299 Q CA 0.899 56.350 55.803 -0.587 0.000 0.845 299 Q CB -0.163 28.247 28.738 -0.546 0.000 0.907 299 Q HN 0.454 nan 8.270 nan 0.000 0.439 300 N N -0.462 117.887 118.700 -0.585 0.000 2.420 300 N HA -0.027 4.714 4.740 0.000 0.000 0.185 300 N C -0.338 174.835 175.510 -0.562 0.000 1.033 300 N CA 0.463 53.229 53.050 -0.472 0.000 0.879 300 N CB 0.164 38.455 38.487 -0.328 0.000 1.071 300 N HN 0.333 nan 8.380 nan 0.000 0.437 301 H N -1.093 117.540 119.070 -0.727 0.000 3.165 301 H HA 0.097 4.654 4.556 0.000 0.000 0.318 301 H C 0.359 175.211 175.328 -0.794 0.000 1.349 301 H CA 0.235 55.626 56.048 -1.096 0.000 1.246 301 H CB -1.230 28.174 29.762 -0.597 0.000 1.389 301 H HN 0.582 nan 8.280 nan 0.000 0.443 302 G N 0.000 108.364 108.800 -0.727 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 44.988 45.100 -0.187 0.000 0.502 302 G HN 0.000 nan 8.290 nan 0.000 0.925