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 1zz1_1_A DATA FIRST_RESID 2 DATA SEQUENCE AIGYVWNTLY GWVDTGTGSL AAANLTARMQ PISHHLAHPD TKRRFHELVC DATA SEQUENCE ASGQIEHLTP IAAVAATDAD ILRAHSAAHL ENMKRVSNLP TGGDTGDGIT DATA SEQUENCE MMGNGGLEIA RLSAGGAVEL TRRVATGELS AGYALVNPPG HHAPHNAAMG DATA SEQUENCE FCIFNNTSVA AGYARAVLGM ERVAILDWDV HHGNGTQDIW WNDPSVLTIS DATA SEQUENCE LHQHLCFPPD SGYSTERGAG NGHGYNINVP LPPGSGNAAY LHAMDQVVLP DATA SEQUENCE ALRAYRPQLI IVGSGFDASM LDPLARMMVT ADGFRQMARR TIDCAADICD DATA SEQUENCE GRIVFVQEGG YSPHYLPFCG LAVIEELTGV RSLPDPYHEF LAGMGGNTLL DATA SEQUENCE DAERAAIEEI VPLLADI 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 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.639 177.584 0.092 0.000 1.274 2 A CA 0.000 52.082 52.037 0.075 0.000 0.836 2 A CB 0.000 19.039 19.000 0.065 0.000 0.831 3 I N 2.718 123.350 120.570 0.104 0.000 2.330 3 I HA 0.492 4.663 4.170 0.001 0.000 0.289 3 I C 1.007 177.216 176.117 0.153 0.000 1.001 3 I CA -0.199 61.179 61.300 0.131 0.000 1.193 3 I CB 0.939 39.016 38.000 0.128 0.000 1.345 3 I HN 0.767 nan 8.210 nan 0.000 0.461 4 G N 5.598 114.500 108.800 0.169 0.000 2.476 4 G HA2 0.357 4.318 3.960 0.001 0.000 0.269 4 G HA3 0.357 4.318 3.960 0.001 0.000 0.269 4 G C -1.619 173.450 174.900 0.281 0.000 1.195 4 G CA -0.092 45.119 45.100 0.185 0.000 0.843 4 G HN 0.534 nan 8.290 nan 0.000 0.545 5 Y N 1.305 121.677 120.300 0.120 0.000 2.396 5 Y HA 0.494 5.044 4.550 0.001 0.000 0.332 5 Y C -1.082 174.911 175.900 0.156 0.000 1.034 5 Y CA -0.989 57.202 58.100 0.151 0.000 1.057 5 Y CB 1.918 40.448 38.460 0.117 0.000 1.220 5 Y HN 0.455 nan 8.280 nan 0.000 0.440 6 V N 6.585 126.277 119.914 -0.371 0.000 2.384 6 V HA 0.360 4.481 4.120 0.001 0.000 0.287 6 V C -0.992 174.906 176.094 -0.327 0.000 1.020 6 V CA -0.760 61.385 62.300 -0.257 0.000 0.850 6 V CB 1.518 33.316 31.823 -0.041 0.000 0.987 6 V HN 0.826 nan 8.190 nan 0.000 0.436 7 W N 5.971 126.993 121.300 -0.463 0.000 2.957 7 W HA 0.471 5.131 4.660 0.001 0.000 0.336 7 W C -1.636 174.577 176.519 -0.511 0.000 1.087 7 W CA -0.595 56.507 57.345 -0.405 0.000 1.235 7 W CB 2.146 31.227 29.460 -0.631 0.000 1.399 7 W HN 0.596 nan 8.180 nan 0.000 0.480 8 N N 2.623 120.307 118.700 -1.693 0.000 2.321 8 N HA 0.173 4.914 4.740 0.001 0.000 0.299 8 N C 0.707 175.175 175.510 -1.738 0.000 1.048 8 N CA -0.045 52.067 53.050 -1.562 0.000 0.836 8 N CB 2.248 39.746 38.487 -1.649 0.000 1.269 8 N HN 0.406 nan 8.380 nan 0.000 0.486 9 T N 2.990 116.947 114.554 -0.995 0.000 2.685 9 T HA -0.136 4.215 4.350 0.001 0.000 0.268 9 T C 1.810 176.015 174.700 -0.824 0.000 1.034 9 T CA 1.315 62.999 62.100 -0.693 0.000 1.149 9 T CB -0.075 68.465 68.868 -0.546 0.000 0.860 9 T HN 0.514 nan 8.240 nan 0.000 0.449 10 L N -0.408 120.285 121.223 -0.884 0.000 2.362 10 L HA -0.021 4.319 4.340 0.001 0.000 0.219 10 L C 2.138 178.831 176.870 -0.294 0.000 1.134 10 L CA 1.000 55.470 54.840 -0.617 0.000 0.807 10 L CB -0.677 41.097 42.059 -0.476 0.000 0.927 10 L HN 0.434 nan 8.230 nan 0.000 0.447 11 Y N -0.024 119.911 120.300 -0.609 0.000 2.256 11 Y HA -0.197 4.354 4.550 0.001 0.000 0.288 11 Y C 2.441 178.222 175.900 -0.198 0.000 1.155 11 Y CA 0.333 58.120 58.100 -0.521 0.000 1.203 11 Y CB -0.276 37.588 38.460 -0.994 0.000 0.980 11 Y HN 0.258 nan 8.280 nan 0.000 0.530 12 G N -1.917 106.932 108.800 0.083 0.000 2.985 12 G HA2 -0.122 3.839 3.960 0.001 0.000 0.209 12 G HA3 -0.122 3.839 3.960 0.001 0.000 0.209 12 G C 0.458 175.630 174.900 0.454 0.000 1.165 12 G CA -0.115 45.239 45.100 0.424 0.000 0.776 12 G HN 0.354 nan 8.290 nan 0.000 0.541 13 W N 0.546 121.834 121.300 -0.020 0.000 3.220 13 W HA 0.407 5.069 4.660 0.003 0.000 0.328 13 W C 0.400 176.870 176.519 -0.081 0.000 1.205 13 W CA -1.451 55.865 57.345 -0.048 0.000 1.773 13 W CB -0.347 29.080 29.460 -0.055 0.000 1.086 13 W HN -0.216 nan 8.180 nan 0.000 0.622 14 V N 2.687 122.666 119.914 0.110 0.000 2.509 14 V HA -0.141 3.980 4.120 0.001 0.000 0.297 14 V C 0.421 176.457 176.094 -0.097 0.000 1.014 14 V CA 0.395 62.693 62.300 -0.002 0.000 1.127 14 V CB 0.039 31.845 31.823 -0.028 0.000 0.925 14 V HN -0.113 nan 8.190 nan 0.000 0.480 15 D N 4.360 124.705 120.400 -0.093 0.000 2.336 15 D HA 0.130 4.771 4.640 0.001 0.000 0.249 15 D C 1.106 177.293 176.300 -0.188 0.000 1.213 15 D CA -0.019 53.898 54.000 -0.137 0.000 0.870 15 D CB 1.242 41.988 40.800 -0.091 0.000 1.076 15 D HN 0.724 nan 8.370 nan 0.000 0.483 16 T N 0.951 115.352 114.554 -0.256 0.000 3.145 16 T HA 0.485 4.836 4.350 0.001 0.000 0.255 16 T C 1.118 175.669 174.700 -0.248 0.000 1.039 16 T CA 0.079 61.957 62.100 -0.370 0.000 0.928 16 T CB -0.130 68.432 68.868 -0.511 0.000 1.029 16 T HN 0.553 nan 8.240 nan 0.000 0.554 17 G N 2.016 110.740 108.800 -0.127 0.000 2.553 17 G HA2 -0.250 3.711 3.960 0.001 0.000 0.242 17 G HA3 -0.250 3.711 3.960 0.001 0.000 0.242 17 G C 0.565 175.469 174.900 0.007 0.000 1.277 17 G CA 0.617 45.688 45.100 -0.049 0.000 0.910 17 G HN 1.150 nan 8.290 nan 0.000 0.576 18 T N -1.896 112.680 114.554 0.037 0.000 3.111 18 T HA 0.620 4.971 4.350 0.001 0.000 0.284 18 T C 1.147 175.891 174.700 0.073 0.000 0.983 18 T CA 1.130 63.258 62.100 0.048 0.000 0.900 18 T CB 0.578 69.460 68.868 0.022 0.000 1.132 18 T HN 1.877 nan 8.240 nan 0.000 0.531 19 G N 0.681 109.548 108.800 0.113 0.000 2.525 19 G HA2 0.488 4.448 3.960 0.001 0.000 0.287 19 G HA3 0.488 4.448 3.960 0.001 0.000 0.287 19 G C 0.565 175.522 174.900 0.094 0.000 1.350 19 G CA -0.307 44.857 45.100 0.106 0.000 1.039 19 G HN 0.178 nan 8.290 nan 0.000 0.513 20 S N -1.482 114.200 115.700 -0.031 0.000 2.441 20 S HA 0.242 4.713 4.470 0.001 0.000 0.224 20 S C 1.359 175.618 174.600 -0.568 0.000 1.043 20 S CA 0.213 58.292 58.200 -0.202 0.000 0.948 20 S CB -0.017 63.120 63.200 -0.104 0.000 0.810 20 S HN 0.379 nan 8.310 nan 0.000 0.504 21 L N -1.355 119.680 121.223 -0.313 0.000 2.208 21 L HA 0.442 4.783 4.340 0.001 0.000 0.133 21 L C 0.076 177.048 176.870 0.171 0.000 1.385 21 L CA 0.342 55.085 54.840 -0.163 0.000 1.030 21 L CB -0.544 41.459 42.059 -0.094 0.000 2.075 21 L HN 0.229 nan 8.230 nan 0.000 0.482 22 A N 0.997 123.866 122.820 0.081 0.000 2.327 22 A HA 0.585 4.906 4.320 0.001 0.000 0.255 22 A C 0.416 178.062 177.584 0.102 0.000 1.099 22 A CA 0.493 52.585 52.037 0.092 0.000 0.801 22 A CB 0.061 19.089 19.000 0.046 0.000 1.062 22 A HN 0.436 nan 8.150 nan 0.000 0.496 23 A N -0.225 122.643 122.820 0.081 0.000 2.448 23 A HA 0.520 4.841 4.320 0.001 0.000 0.239 23 A C 0.968 178.581 177.584 0.048 0.000 1.080 23 A CA 0.192 52.269 52.037 0.066 0.000 0.779 23 A CB -0.605 18.420 19.000 0.041 0.000 1.026 23 A HN 2.294 nan 8.150 nan 0.000 0.499 24 A N 0.661 123.507 122.820 0.043 0.000 2.520 24 A HA 0.397 4.718 4.320 0.001 0.000 0.235 24 A C 0.341 177.938 177.584 0.022 0.000 1.065 24 A CA 0.721 52.775 52.037 0.029 0.000 0.764 24 A CB -0.308 18.707 19.000 0.026 0.000 1.002 24 A HN 0.993 nan 8.150 nan 0.000 0.502 25 N N 1.136 119.846 118.700 0.017 0.000 2.599 25 N HA 0.357 5.097 4.740 0.001 0.000 0.283 25 N C 0.372 175.889 175.510 0.011 0.000 1.160 25 N CA -0.524 52.534 53.050 0.014 0.000 0.869 25 N CB 0.712 39.208 38.487 0.014 0.000 1.448 25 N HN 0.504 nan 8.380 nan 0.000 0.535 26 L N 1.141 122.370 121.223 0.010 0.000 2.017 26 L HA -0.134 4.207 4.340 0.001 0.000 0.208 26 L C 1.866 178.740 176.870 0.008 0.000 1.073 26 L CA 1.419 56.264 54.840 0.009 0.000 0.745 26 L CB -0.403 41.661 42.059 0.007 0.000 0.894 26 L HN 0.630 nan 8.230 nan 0.000 0.432 27 T N -0.228 114.330 114.554 0.007 0.000 2.788 27 T HA -0.156 4.195 4.350 0.001 0.000 0.268 27 T C 1.811 176.515 174.700 0.007 0.000 1.044 27 T CA 1.297 63.401 62.100 0.007 0.000 1.139 27 T CB -0.254 68.617 68.868 0.006 0.000 0.867 27 T HN 0.437 nan 8.240 nan 0.000 0.454 28 A N 0.770 123.595 122.820 0.008 0.000 2.206 28 A HA 0.110 4.431 4.320 0.001 0.000 0.211 28 A C 0.883 178.472 177.584 0.008 0.000 1.158 28 A CA 0.066 52.108 52.037 0.008 0.000 0.761 28 A CB -0.172 18.833 19.000 0.009 0.000 0.801 28 A HN 0.313 nan 8.150 nan 0.000 0.473 29 R N -1.553 118.953 120.500 0.009 0.000 3.422 29 R HA -0.160 4.181 4.340 0.001 0.000 0.267 29 R C -0.648 175.658 176.300 0.010 0.000 1.074 29 R CA 0.996 57.101 56.100 0.009 0.000 0.718 29 R CB -2.677 27.628 30.300 0.008 0.000 1.157 29 R HN 0.637 nan 8.270 nan 0.000 0.440 30 M N 1.022 120.628 119.600 0.010 0.000 2.111 30 M HA 0.138 4.618 4.480 0.001 0.000 0.351 30 M C 0.930 177.238 176.300 0.013 0.000 1.214 30 M CA 0.105 55.411 55.300 0.011 0.000 1.120 30 M CB 1.239 33.845 32.600 0.011 0.000 1.443 30 M HN 0.066 nan 8.290 nan 0.000 0.429 31 Q N 4.355 124.163 119.800 0.014 0.000 2.361 31 Q HA 0.204 4.545 4.340 0.001 0.000 0.276 31 Q C -2.165 173.847 176.000 0.019 0.000 1.022 31 Q CA -1.306 54.506 55.803 0.015 0.000 0.898 31 Q CB 0.677 29.425 28.738 0.015 0.000 1.246 31 Q HN 0.300 nan 8.270 nan 0.000 0.410 32 P HA 0.082 nan 4.420 nan 0.000 0.268 32 P C -0.964 176.354 177.300 0.030 0.000 1.208 32 P CA 0.300 63.415 63.100 0.025 0.000 0.777 32 P CB 0.478 32.190 31.700 0.020 0.000 0.875 33 I N 0.070 120.664 120.570 0.039 0.000 2.894 33 I HA 0.150 4.321 4.170 0.001 0.000 0.302 33 I C 1.195 177.344 176.117 0.053 0.000 1.188 33 I CA -0.514 60.816 61.300 0.050 0.000 1.014 33 I CB 2.136 40.168 38.000 0.054 0.000 1.242 33 I HN 0.388 nan 8.210 nan 0.000 0.430 34 S N 3.345 119.080 115.700 0.059 0.000 2.368 34 S HA -0.092 4.379 4.470 0.001 0.000 0.224 34 S C 0.445 174.952 174.600 -0.154 0.000 1.029 34 S CA 1.025 59.213 58.200 -0.020 0.000 0.988 34 S CB -0.397 62.824 63.200 0.036 0.000 0.838 34 S HN 0.712 nan 8.310 nan 0.000 0.462 35 H N 0.858 119.930 119.070 0.003 0.000 2.718 35 H HA 0.502 5.059 4.556 0.001 0.000 0.295 35 H C -0.278 175.124 175.328 0.123 0.000 1.051 35 H CA -0.707 55.346 56.048 0.008 0.000 1.260 35 H CB 0.362 30.038 29.762 -0.143 0.000 1.403 35 H HN 0.515 nan 8.280 nan 0.000 0.488 36 H N 2.202 121.373 119.070 0.168 0.000 2.929 36 H HA -0.052 4.504 4.556 0.001 0.000 0.358 36 H C 1.006 176.396 175.328 0.102 0.000 1.111 36 H CA 0.084 56.186 56.048 0.089 0.000 1.409 36 H CB 0.902 30.677 29.762 0.022 0.000 1.373 36 H HN 0.675 nan 8.280 nan 0.000 0.610 37 L N 2.980 124.046 121.223 -0.260 0.000 2.051 37 L HA -0.247 4.093 4.340 0.001 0.000 0.214 37 L C 2.045 179.052 176.870 0.230 0.000 1.076 37 L CA 1.735 56.542 54.840 -0.054 0.000 0.758 37 L CB -0.462 41.448 42.059 -0.248 0.000 0.890 37 L HN 0.800 nan 8.230 nan 0.000 0.433 38 A N -2.304 120.729 122.820 0.356 0.000 2.415 38 A HA 0.035 4.356 4.320 0.001 0.000 0.248 38 A C 0.352 178.040 177.584 0.173 0.000 1.299 38 A CA -0.370 51.791 52.037 0.207 0.000 0.899 38 A CB -0.863 17.801 19.000 -0.561 0.000 0.997 38 A HN 0.413 nan 8.150 nan 0.000 0.506 39 H N 1.419 120.602 119.070 0.189 0.000 3.064 39 H HA 0.068 4.625 4.556 0.001 0.000 0.329 39 H C -1.185 174.232 175.328 0.148 0.000 1.020 39 H CA -0.160 55.969 56.048 0.135 0.000 1.402 39 H CB 1.023 30.916 29.762 0.217 0.000 1.379 39 H HN 0.128 nan 8.280 nan 0.000 0.594 40 P HA -0.147 nan 4.420 nan 0.000 0.228 40 P C 0.563 178.067 177.300 0.340 0.000 1.151 40 P CA 0.885 64.069 63.100 0.140 0.000 0.770 40 P CB 0.390 32.130 31.700 0.066 0.000 0.786 41 D N -0.349 120.395 120.400 0.573 0.000 2.182 41 D HA -0.110 4.531 4.640 0.001 0.000 0.201 41 D C 1.853 178.302 176.300 0.247 0.000 0.986 41 D CA 1.319 55.566 54.000 0.411 0.000 0.847 41 D CB -0.828 40.195 40.800 0.372 0.000 0.942 41 D HN 0.162 nan 8.370 nan 0.000 0.467 42 T N 0.576 115.270 114.554 0.234 0.000 2.708 42 T HA -0.128 4.223 4.350 0.001 0.000 0.266 42 T C 1.895 176.690 174.700 0.159 0.000 1.037 42 T CA 1.188 63.371 62.100 0.138 0.000 1.146 42 T CB -0.032 68.907 68.868 0.119 0.000 0.865 42 T HN 0.185 nan 8.240 nan 0.000 0.435 43 K N 0.474 121.010 120.400 0.226 0.000 2.155 43 K HA 0.063 4.384 4.320 0.001 0.000 0.203 43 K C 2.503 179.206 176.600 0.171 0.000 1.052 43 K CA 0.589 57.050 56.287 0.291 0.000 0.948 43 K CB -0.074 32.644 32.500 0.363 0.000 0.728 43 K HN 0.146 nan 8.250 nan 0.000 0.448 44 R N 1.470 122.089 120.500 0.199 0.000 2.096 44 R HA -0.109 4.232 4.340 0.001 0.000 0.235 44 R C 1.997 178.255 176.300 -0.071 0.000 1.127 44 R CA 1.403 57.503 56.100 -0.000 0.000 0.968 44 R CB 0.045 30.498 30.300 0.256 0.000 0.861 44 R HN 0.076 nan 8.270 nan 0.000 0.440 45 R N -0.555 119.959 120.500 0.023 0.000 2.115 45 R HA -0.132 4.209 4.340 0.001 0.000 0.230 45 R C 2.127 178.400 176.300 -0.046 0.000 1.111 45 R CA 1.277 57.363 56.100 -0.022 0.000 0.976 45 R CB -0.416 29.878 30.300 -0.009 0.000 0.870 45 R HN 0.222 nan 8.270 nan 0.000 0.445 46 F N 1.314 121.144 119.950 -0.200 0.000 2.075 46 F HA -0.211 4.316 4.527 0.001 0.000 0.297 46 F C 2.268 177.910 175.800 -0.264 0.000 1.113 46 F CA 1.936 59.787 58.000 -0.249 0.000 1.218 46 F CB -1.117 37.785 39.000 -0.164 0.000 0.984 46 F HN 0.041 nan 8.300 nan 0.000 0.472 47 H N 0.380 119.148 119.070 -0.503 0.000 2.321 47 H HA -0.178 4.379 4.556 0.001 0.000 0.295 47 H C 2.096 177.161 175.328 -0.438 0.000 1.102 47 H CA 2.663 58.304 56.048 -0.679 0.000 1.266 47 H CB -0.448 28.462 29.762 -1.421 0.000 1.363 47 H HN 0.486 nan 8.280 nan 0.000 0.492 48 E N -0.646 119.268 120.200 -0.477 0.000 2.150 48 E HA -0.118 4.233 4.350 0.001 0.000 0.193 48 E C 2.187 178.589 176.600 -0.329 0.000 0.985 48 E CA 0.849 57.007 56.400 -0.402 0.000 0.814 48 E CB -0.084 29.505 29.700 -0.185 0.000 0.752 48 E HN 0.370 nan 8.360 nan 0.000 0.466 49 L N 0.724 121.782 121.223 -0.275 0.000 2.093 49 L HA -0.125 4.216 4.340 0.001 0.000 0.208 49 L C 2.162 178.876 176.870 -0.259 0.000 1.085 49 L CA 1.185 55.873 54.840 -0.254 0.000 0.755 49 L CB -0.203 41.664 42.059 -0.321 0.000 0.904 49 L HN -0.091 nan 8.230 nan 0.000 0.435 50 V N -1.037 118.689 119.914 -0.313 0.000 2.332 50 V HA -0.374 3.747 4.120 0.001 0.000 0.248 50 V C 2.561 178.432 176.094 -0.373 0.000 1.055 50 V CA 1.978 64.054 62.300 -0.373 0.000 1.038 50 V CB -0.841 30.639 31.823 -0.572 0.000 0.651 50 V HN 0.642 nan 8.190 nan 0.000 0.450 51 C N -0.092 118.951 119.300 -0.429 0.000 2.518 51 C HA 0.078 4.538 4.460 0.001 0.000 0.279 51 C C 3.065 177.932 174.990 -0.205 0.000 1.279 51 C CA 0.503 59.328 59.018 -0.321 0.000 1.703 51 C CB -1.247 26.276 27.740 -0.361 0.000 2.072 51 C HN 0.608 nan 8.230 nan 0.000 0.487 52 A N 1.323 124.029 122.820 -0.191 0.000 2.015 52 A HA -0.123 4.198 4.320 0.001 0.000 0.219 52 A C 2.223 179.752 177.584 -0.091 0.000 1.163 52 A CA 2.035 54.000 52.037 -0.120 0.000 0.646 52 A CB -0.700 18.238 19.000 -0.102 0.000 0.806 52 A HN 0.711 nan 8.150 nan 0.000 0.448 53 S N -1.952 113.684 115.700 -0.107 0.000 2.522 53 S HA 0.325 4.795 4.470 0.001 0.000 0.227 53 S C 1.541 176.113 174.600 -0.046 0.000 0.986 53 S CA 1.165 59.326 58.200 -0.066 0.000 0.929 53 S CB -0.351 62.804 63.200 -0.076 0.000 0.769 53 S HN 1.885 nan 8.310 nan 0.000 0.529 54 G N 0.829 109.587 108.800 -0.071 0.000 2.176 54 G HA2 -0.302 3.659 3.960 0.001 0.000 0.253 54 G HA3 -0.302 3.659 3.960 0.001 0.000 0.253 54 G C 0.914 175.805 174.900 -0.015 0.000 0.979 54 G CA 0.393 45.463 45.100 -0.050 0.000 0.641 54 G HN 0.425 nan 8.290 nan 0.000 0.530 55 Q N -0.348 119.431 119.800 -0.034 0.000 2.181 55 Q HA -0.054 4.287 4.340 0.001 0.000 0.205 55 Q C 2.591 178.542 176.000 -0.082 0.000 0.980 55 Q CA 1.542 57.344 55.803 -0.002 0.000 0.862 55 Q CB -0.241 28.434 28.738 -0.105 0.000 0.905 55 Q HN 0.730 nan 8.270 nan 0.000 0.429 56 I N 1.740 122.193 120.570 -0.194 0.000 2.423 56 I HA -0.230 3.941 4.170 0.001 0.000 0.254 56 I C 1.628 177.653 176.117 -0.154 0.000 1.151 56 I CA 1.363 62.531 61.300 -0.220 0.000 1.421 56 I CB -0.134 37.733 38.000 -0.220 0.000 1.079 56 I HN 0.182 nan 8.210 nan 0.000 0.431 57 E N -0.865 119.214 120.200 -0.202 0.000 2.338 57 E HA -0.177 4.173 4.350 0.001 0.000 0.197 57 E C 1.113 177.467 176.600 -0.410 0.000 1.007 57 E CA 0.794 57.008 56.400 -0.309 0.000 0.849 57 E CB -0.197 29.269 29.700 -0.390 0.000 0.774 57 E HN 0.671 nan 8.360 nan 0.000 0.506 58 H N -0.660 118.379 119.070 -0.051 0.000 2.549 58 H HA 0.248 4.805 4.556 0.001 0.000 0.279 58 H C 0.323 175.639 175.328 -0.019 0.000 1.018 58 H CA 0.174 56.204 56.048 -0.031 0.000 1.175 58 H CB 0.591 30.332 29.762 -0.035 0.000 1.485 58 H HN 0.026 nan 8.280 nan 0.000 0.543 59 L N 0.664 121.907 121.223 0.033 0.000 2.333 59 L HA 0.327 4.668 4.340 0.001 0.000 0.269 59 L C 0.183 177.094 176.870 0.067 0.000 1.010 59 L CA -0.684 54.188 54.840 0.053 0.000 0.818 59 L CB 2.138 44.193 42.059 -0.007 0.000 1.306 59 L HN -0.154 nan 8.230 nan 0.000 0.430 60 T N 2.389 117.007 114.554 0.108 0.000 2.781 60 T HA 0.302 4.653 4.350 0.001 0.000 0.305 60 T C -2.486 172.302 174.700 0.146 0.000 1.001 60 T CA -1.221 60.941 62.100 0.103 0.000 0.950 60 T CB 0.812 69.733 68.868 0.088 0.000 0.955 60 T HN 0.212 nan 8.240 nan 0.000 0.471 61 P HA 0.197 nan 4.420 nan 0.000 0.267 61 P C -0.651 176.710 177.300 0.103 0.000 1.205 61 P CA -0.289 62.916 63.100 0.174 0.000 0.765 61 P CB 0.394 32.183 31.700 0.149 0.000 0.828 62 I N 2.521 123.141 120.570 0.084 0.000 2.418 62 I HA 0.358 4.528 4.170 0.001 0.000 0.287 62 I C 0.414 176.524 176.117 -0.010 0.000 1.008 62 I CA -1.293 60.027 61.300 0.034 0.000 1.104 62 I CB 1.260 39.284 38.000 0.040 0.000 1.264 62 I HN 0.299 nan 8.210 nan 0.000 0.438 63 A N 5.340 128.142 122.820 -0.030 0.000 2.450 63 A HA 0.617 4.938 4.320 0.001 0.000 0.255 63 A C 0.690 178.222 177.584 -0.086 0.000 1.096 63 A CA -0.261 51.732 52.037 -0.074 0.000 0.778 63 A CB 0.250 19.207 19.000 -0.072 0.000 1.031 63 A HN 0.881 nan 8.150 nan 0.000 0.494 64 A N 2.383 125.127 122.820 -0.127 0.000 2.483 64 A HA 0.486 4.807 4.320 0.001 0.000 0.238 64 A C 0.088 177.610 177.584 -0.104 0.000 1.070 64 A CA 0.053 52.028 52.037 -0.105 0.000 0.770 64 A CB 0.048 18.970 19.000 -0.130 0.000 1.008 64 A HN 1.134 nan 8.150 nan 0.000 0.497 65 V N 1.637 121.502 119.914 -0.083 0.000 2.604 65 V HA 0.554 4.675 4.120 0.001 0.000 0.305 65 V C 0.699 176.751 176.094 -0.070 0.000 1.043 65 V CA -0.344 61.908 62.300 -0.080 0.000 0.888 65 V CB 1.585 33.362 31.823 -0.077 0.000 0.995 65 V HN 1.258 nan 8.190 nan 0.000 0.429 66 A N 3.877 126.659 122.820 -0.064 0.000 2.522 66 A HA 0.567 4.888 4.320 0.001 0.000 0.256 66 A C 0.842 178.395 177.584 -0.051 0.000 1.086 66 A CA 0.469 52.477 52.037 -0.048 0.000 0.763 66 A CB -0.195 18.778 19.000 -0.045 0.000 1.024 66 A HN 1.487 nan 8.150 nan 0.000 0.502 67 A N 3.831 126.620 122.820 -0.052 0.000 2.540 67 A HA 0.475 4.796 4.320 0.001 0.000 0.239 67 A C 1.106 178.643 177.584 -0.078 0.000 1.061 67 A CA 0.577 52.569 52.037 -0.074 0.000 0.758 67 A CB -0.393 18.552 19.000 -0.093 0.000 0.991 67 A HN 1.535 nan 8.150 nan 0.000 0.502 68 T N 0.162 114.678 114.554 -0.064 0.000 2.816 68 T HA 0.286 4.637 4.350 0.001 0.000 0.282 68 T C 0.545 175.196 174.700 -0.083 0.000 0.993 68 T CA -0.017 62.051 62.100 -0.054 0.000 0.994 68 T CB 0.659 69.514 68.868 -0.022 0.000 1.025 68 T HN 0.531 nan 8.240 nan 0.000 0.529 69 D N 1.110 121.468 120.400 -0.071 0.000 2.126 69 D HA -0.151 4.490 4.640 0.001 0.000 0.190 69 D C 2.380 178.645 176.300 -0.057 0.000 1.001 69 D CA 2.054 56.007 54.000 -0.078 0.000 0.841 69 D CB -0.936 39.835 40.800 -0.048 0.000 0.949 69 D HN 0.764 nan 8.370 nan 0.000 0.446 70 A N 1.261 124.067 122.820 -0.024 0.000 1.873 70 A HA -0.256 4.065 4.320 0.001 0.000 0.218 70 A C 1.887 179.478 177.584 0.012 0.000 1.193 70 A CA 2.230 54.268 52.037 0.002 0.000 0.629 70 A CB -0.688 18.323 19.000 0.019 0.000 0.826 70 A HN 0.098 nan 8.150 nan 0.000 0.447 71 D N -0.024 120.383 120.400 0.013 0.000 2.103 71 D HA -0.184 4.457 4.640 0.001 0.000 0.190 71 D C 1.848 178.140 176.300 -0.013 0.000 0.997 71 D CA 1.726 55.744 54.000 0.030 0.000 0.833 71 D CB -0.506 40.290 40.800 -0.008 0.000 0.961 71 D HN 0.535 nan 8.370 nan 0.000 0.447 72 I N 0.545 121.046 120.570 -0.115 0.000 2.208 72 I HA -0.242 3.928 4.170 0.001 0.000 0.245 72 I C 2.275 178.372 176.117 -0.033 0.000 1.097 72 I CA 0.771 61.960 61.300 -0.185 0.000 1.363 72 I CB -0.204 37.474 38.000 -0.537 0.000 1.051 72 I HN -0.038 nan 8.210 nan 0.000 0.413 73 L N 0.219 121.427 121.223 -0.026 0.000 2.549 73 L HA -0.086 4.255 4.340 0.001 0.000 0.229 73 L C 2.406 179.302 176.870 0.042 0.000 1.158 73 L CA 0.623 55.474 54.840 0.019 0.000 0.842 73 L CB -0.551 41.514 42.059 0.011 0.000 0.952 73 L HN 0.187 nan 8.230 nan 0.000 0.452 74 R N -0.102 120.423 120.500 0.042 0.000 2.189 74 R HA -0.002 4.339 4.340 0.001 0.000 0.218 74 R C 1.988 178.288 176.300 -0.001 0.000 1.074 74 R CA 1.140 57.275 56.100 0.058 0.000 0.991 74 R CB -0.053 30.312 30.300 0.109 0.000 0.883 74 R HN 0.353 nan 8.270 nan 0.000 0.457 75 A N -0.482 122.309 122.820 -0.047 0.000 2.127 75 A HA 0.158 4.479 4.320 0.001 0.000 0.204 75 A C 0.040 177.428 177.584 -0.328 0.000 1.243 75 A CA 0.061 51.944 52.037 -0.256 0.000 0.887 75 A CB 0.291 19.144 19.000 -0.244 0.000 0.933 75 A HN 0.197 nan 8.150 nan 0.000 0.479 76 H N -0.391 118.675 119.070 -0.006 0.000 2.679 76 H HA 0.504 5.061 4.556 0.002 0.000 0.367 76 H C 0.373 175.454 175.328 -0.411 0.000 1.162 76 H CA 0.022 55.953 56.048 -0.194 0.000 1.181 76 H CB 1.675 31.492 29.762 0.091 0.000 1.693 76 H HN 0.274 nan 8.280 nan 0.000 0.538 77 S N 0.827 116.114 115.700 -0.689 0.000 2.576 77 S HA 0.162 4.633 4.470 0.001 0.000 0.272 77 S C 1.445 176.017 174.600 -0.048 0.000 1.352 77 S CA -0.209 57.779 58.200 -0.353 0.000 1.021 77 S CB 1.128 64.165 63.200 -0.271 0.000 0.887 77 S HN 0.812 nan 8.310 nan 0.000 0.542 78 A N 2.597 125.415 122.820 -0.002 0.000 1.902 78 A HA 0.174 4.495 4.320 0.001 0.000 0.217 78 A C 2.455 180.048 177.584 0.014 0.000 1.181 78 A CA 1.720 53.763 52.037 0.010 0.000 0.623 78 A CB -1.697 17.312 19.000 0.016 0.000 0.818 78 A HN 1.432 nan 8.150 nan 0.000 0.443 79 A N -0.751 122.083 122.820 0.022 0.000 1.908 79 A HA -0.223 4.098 4.320 0.001 0.000 0.218 79 A C 2.053 179.670 177.584 0.054 0.000 1.181 79 A CA 2.285 54.340 52.037 0.031 0.000 0.627 79 A CB -0.867 18.153 19.000 0.032 0.000 0.818 79 A HN 0.773 nan 8.150 nan 0.000 0.445 80 H N -0.620 118.432 119.070 -0.031 0.000 2.326 80 H HA -0.069 4.488 4.556 0.001 0.000 0.301 80 H C 1.780 177.128 175.328 0.032 0.000 1.081 80 H CA 1.722 57.759 56.048 -0.018 0.000 1.334 80 H CB -0.444 29.298 29.762 -0.033 0.000 1.385 80 H HN 0.277 nan 8.280 nan 0.000 0.504 81 L N 0.887 122.046 121.223 -0.106 0.000 1.990 81 L HA -0.171 4.169 4.340 0.001 0.000 0.213 81 L C 2.191 179.015 176.870 -0.077 0.000 1.072 81 L CA 2.049 56.832 54.840 -0.095 0.000 0.755 81 L CB -0.821 41.204 42.059 -0.057 0.000 0.889 81 L HN 0.321 nan 8.230 nan 0.000 0.432 82 E N -0.338 119.834 120.200 -0.047 0.000 2.085 82 E HA -0.274 4.077 4.350 0.001 0.000 0.194 82 E C 2.090 178.664 176.600 -0.043 0.000 0.994 82 E CA 1.477 57.858 56.400 -0.033 0.000 0.801 82 E CB -0.427 29.264 29.700 -0.015 0.000 0.743 82 E HN 0.578 nan 8.360 nan 0.000 0.453 83 N N -0.058 118.610 118.700 -0.054 0.000 2.188 83 N HA -0.112 4.629 4.740 0.001 0.000 0.184 83 N C 1.658 177.114 175.510 -0.091 0.000 1.018 83 N CA 1.069 54.089 53.050 -0.050 0.000 0.858 83 N CB -0.036 38.445 38.487 -0.010 0.000 0.989 83 N HN 0.028 nan 8.380 nan 0.000 0.426 84 M N 0.585 120.082 119.600 -0.172 0.000 2.132 84 M HA -0.041 4.440 4.480 0.001 0.000 0.263 84 M C 1.789 178.035 176.300 -0.090 0.000 1.065 84 M CA 1.192 56.379 55.300 -0.189 0.000 1.122 84 M CB -0.840 31.561 32.600 -0.331 0.000 1.365 84 M HN 0.147 nan 8.290 nan 0.000 0.411 85 K N -0.257 120.111 120.400 -0.052 0.000 2.032 85 K HA -0.189 4.132 4.320 0.001 0.000 0.209 85 K C 2.201 178.783 176.600 -0.031 0.000 1.048 85 K CA 1.421 57.692 56.287 -0.027 0.000 0.927 85 K CB -0.261 32.228 32.500 -0.019 0.000 0.712 85 K HN 0.244 nan 8.250 nan 0.000 0.441 86 R N 0.973 121.453 120.500 -0.034 0.000 2.080 86 R HA -0.158 4.183 4.340 0.001 0.000 0.236 86 R C 2.153 178.435 176.300 -0.030 0.000 1.137 86 R CA 1.709 57.793 56.100 -0.028 0.000 0.943 86 R CB -0.362 29.924 30.300 -0.025 0.000 0.846 86 R HN 0.001 nan 8.270 nan 0.000 0.431 87 V N 0.244 120.134 119.914 -0.040 0.000 2.343 87 V HA -0.230 3.891 4.120 0.001 0.000 0.247 87 V C 2.389 178.459 176.094 -0.040 0.000 1.051 87 V CA 2.121 64.397 62.300 -0.041 0.000 1.036 87 V CB -0.510 31.282 31.823 -0.052 0.000 0.654 87 V HN 0.462 nan 8.190 nan 0.000 0.451 88 S N 0.062 115.735 115.700 -0.046 0.000 2.399 88 S HA -0.193 4.278 4.470 0.001 0.000 0.231 88 S C 1.767 176.352 174.600 -0.025 0.000 1.022 88 S CA 1.734 59.912 58.200 -0.037 0.000 0.983 88 S CB -0.453 62.726 63.200 -0.035 0.000 0.803 88 S HN 0.642 nan 8.310 nan 0.000 0.480 89 N N 0.554 119.241 118.700 -0.022 0.000 2.463 89 N HA 0.220 4.960 4.740 0.001 0.000 0.181 89 N C -0.065 175.436 175.510 -0.015 0.000 1.078 89 N CA 0.080 53.120 53.050 -0.017 0.000 0.902 89 N CB -0.204 38.274 38.487 -0.015 0.000 0.970 89 N HN 0.410 nan 8.380 nan 0.000 0.451 90 L N 1.696 122.909 121.223 -0.017 0.000 2.485 90 L HA 0.045 4.386 4.340 0.001 0.000 0.275 90 L C -0.886 175.976 176.870 -0.014 0.000 1.207 90 L CA -1.122 53.709 54.840 -0.015 0.000 0.855 90 L CB 0.349 42.398 42.059 -0.017 0.000 1.114 90 L HN 0.049 nan 8.230 nan 0.000 0.485 91 P HA -0.174 nan 4.420 nan 0.000 0.217 91 P C 0.996 178.289 177.300 -0.011 0.000 1.151 91 P CA 1.578 64.672 63.100 -0.010 0.000 0.849 91 P CB 0.115 31.809 31.700 -0.009 0.000 0.787 92 T N -2.825 111.721 114.554 -0.013 0.000 3.023 92 T HA 0.417 4.768 4.350 0.001 0.000 0.253 92 T C 1.029 175.717 174.700 -0.019 0.000 1.038 92 T CA 0.401 62.492 62.100 -0.015 0.000 0.962 92 T CB 0.279 69.138 68.868 -0.014 0.000 1.018 92 T HN 0.383 nan 8.240 nan 0.000 0.521 93 G N 0.854 109.642 108.800 -0.019 0.000 2.539 93 G HA2 0.254 4.215 3.960 0.001 0.000 0.256 93 G HA3 0.254 4.215 3.960 0.001 0.000 0.256 93 G C 0.158 175.044 174.900 -0.024 0.000 1.233 93 G CA -0.489 44.596 45.100 -0.025 0.000 0.936 93 G HN 1.286 nan 8.290 nan 0.000 0.571 94 G N -1.391 107.393 108.800 -0.027 0.000 2.351 94 G HA2 0.521 4.482 3.960 0.001 0.000 0.279 94 G HA3 0.521 4.482 3.960 0.001 0.000 0.279 94 G C -1.366 173.521 174.900 -0.022 0.000 1.297 94 G CA 0.768 45.855 45.100 -0.022 0.000 0.886 94 G HN 1.684 nan 8.290 nan 0.000 0.493 95 D N 0.161 120.552 120.400 -0.014 0.000 2.351 95 D HA 0.427 5.068 4.640 0.001 0.000 0.251 95 D C 1.796 178.088 176.300 -0.013 0.000 1.137 95 D CA 0.698 54.693 54.000 -0.008 0.000 0.879 95 D CB 1.361 42.161 40.800 -0.001 0.000 1.181 95 D HN 0.637 nan 8.370 nan 0.000 0.448 96 T N 0.556 115.103 114.554 -0.012 0.000 3.100 96 T HA 0.327 4.677 4.350 0.001 0.000 0.253 96 T C 1.311 176.013 174.700 0.002 0.000 1.118 96 T CA 0.436 62.526 62.100 -0.016 0.000 1.058 96 T CB 0.268 69.118 68.868 -0.030 0.000 0.953 96 T HN 0.596 nan 8.240 nan 0.000 0.515 97 G N 1.976 110.777 108.800 0.002 0.000 3.259 97 G HA2 -0.096 3.865 3.960 0.001 0.000 0.217 97 G HA3 -0.096 3.865 3.960 0.001 0.000 0.217 97 G C 0.380 175.280 174.900 -0.000 0.000 0.993 97 G CA 0.288 45.389 45.100 0.002 0.000 0.836 97 G HN 0.580 nan 8.290 nan 0.000 0.514 98 D N 0.581 120.983 120.400 0.003 0.000 2.440 98 D HA 0.390 5.031 4.640 0.001 0.000 0.216 98 D C 1.727 178.035 176.300 0.013 0.000 1.150 98 D CA 0.443 54.446 54.000 0.005 0.000 0.832 98 D CB -0.206 40.598 40.800 0.006 0.000 0.992 98 D HN 1.395 nan 8.370 nan 0.000 0.502 99 G N 0.657 109.465 108.800 0.014 0.000 2.196 99 G HA2 -0.305 3.656 3.960 0.001 0.000 0.268 99 G HA3 -0.305 3.656 3.960 0.001 0.000 0.268 99 G C 0.794 175.713 174.900 0.033 0.000 0.975 99 G CA 0.745 45.857 45.100 0.019 0.000 0.648 99 G HN 0.408 nan 8.290 nan 0.000 0.538 100 I N -0.066 120.529 120.570 0.042 0.000 4.398 100 I HA 0.148 4.318 4.170 0.001 0.000 0.310 100 I C 0.907 177.092 176.117 0.113 0.000 1.232 100 I CA 0.994 62.343 61.300 0.082 0.000 1.312 100 I CB -0.461 37.582 38.000 0.072 0.000 1.347 100 I HN 0.062 nan 8.210 nan 0.000 0.454 101 T N 3.975 118.580 114.554 0.085 0.000 2.723 101 T HA 0.404 4.755 4.350 0.001 0.000 0.297 101 T C -0.011 174.709 174.700 0.034 0.000 0.925 101 T CA 0.102 62.261 62.100 0.099 0.000 1.030 101 T CB 0.852 69.770 68.868 0.084 0.000 0.905 101 T HN -0.137 nan 8.240 nan 0.000 0.502 102 M N 3.538 123.144 119.600 0.010 0.000 2.537 102 M HA 0.666 5.147 4.480 0.001 0.000 0.324 102 M C -0.571 175.701 176.300 -0.047 0.000 1.187 102 M CA -0.735 54.549 55.300 -0.026 0.000 0.993 102 M CB 1.861 34.436 32.600 -0.042 0.000 1.666 102 M HN 0.592 nan 8.290 nan 0.000 0.461 103 M N 1.468 121.037 119.600 -0.052 0.000 2.271 103 M HA 0.638 5.119 4.480 0.001 0.000 0.285 103 M C -0.423 175.849 176.300 -0.048 0.000 1.059 103 M CA -0.454 54.810 55.300 -0.060 0.000 0.940 103 M CB 1.643 34.195 32.600 -0.080 0.000 1.636 103 M HN 0.750 nan 8.290 nan 0.000 0.460 104 G N 2.322 111.097 108.800 -0.042 0.000 2.651 104 G HA2 0.115 4.076 3.960 0.001 0.000 0.260 104 G HA3 0.115 4.076 3.960 0.001 0.000 0.260 104 G C -0.463 174.422 174.900 -0.025 0.000 1.216 104 G CA -0.580 44.501 45.100 -0.031 0.000 0.913 104 G HN 0.840 nan 8.290 nan 0.000 0.535 105 N N -0.457 118.232 118.700 -0.018 0.000 2.411 105 N HA 0.317 5.058 4.740 0.001 0.000 0.261 105 N C 1.393 176.898 175.510 -0.008 0.000 1.248 105 N CA 1.703 54.745 53.050 -0.014 0.000 0.885 105 N CB 0.321 38.803 38.487 -0.010 0.000 1.062 105 N HN 1.156 nan 8.380 nan 0.000 0.471 106 G N 1.985 110.778 108.800 -0.011 0.000 2.168 106 G HA2 -0.270 3.691 3.960 0.001 0.000 0.263 106 G HA3 -0.270 3.691 3.960 0.001 0.000 0.263 106 G C 1.005 175.901 174.900 -0.007 0.000 0.977 106 G CA 0.533 45.629 45.100 -0.007 0.000 0.659 106 G HN 0.886 nan 8.290 nan 0.000 0.533 107 G N 0.003 108.795 108.800 -0.015 0.000 2.498 107 G HA2 0.084 4.045 3.960 0.001 0.000 0.219 107 G HA3 0.084 4.045 3.960 0.001 0.000 0.219 107 G C 1.652 176.539 174.900 -0.023 0.000 1.119 107 G CA 1.439 46.527 45.100 -0.020 0.000 0.766 107 G HN 0.924 nan 8.290 nan 0.000 0.552 108 L N 0.856 122.068 121.223 -0.018 0.000 2.127 108 L HA -0.024 4.317 4.340 0.001 0.000 0.211 108 L C 2.500 179.394 176.870 0.040 0.000 1.089 108 L CA 2.370 57.218 54.840 0.013 0.000 0.757 108 L CB -0.576 41.500 42.059 0.027 0.000 0.899 108 L HN 0.463 nan 8.230 nan 0.000 0.434 109 E N -0.216 119.991 120.200 0.010 0.000 2.049 109 E HA -0.269 4.081 4.350 0.001 0.000 0.198 109 E C 2.159 178.759 176.600 -0.000 0.000 1.007 109 E CA 2.311 58.708 56.400 -0.004 0.000 0.809 109 E CB -0.256 29.427 29.700 -0.028 0.000 0.749 109 E HN 0.663 nan 8.360 nan 0.000 0.450 110 I N 0.748 121.318 120.570 0.001 0.000 2.252 110 I HA -0.203 3.968 4.170 0.001 0.000 0.245 110 I C 2.689 178.845 176.117 0.064 0.000 1.102 110 I CA 0.829 62.141 61.300 0.021 0.000 1.385 110 I CB -0.528 37.484 38.000 0.020 0.000 1.064 110 I HN 0.168 nan 8.210 nan 0.000 0.414 111 A N 1.411 124.263 122.820 0.054 0.000 1.892 111 A HA -0.226 4.094 4.320 0.001 0.000 0.218 111 A C 2.457 180.176 177.584 0.225 0.000 1.188 111 A CA 1.696 53.795 52.037 0.103 0.000 0.631 111 A CB -0.640 18.358 19.000 -0.003 0.000 0.822 111 A HN 0.341 nan 8.150 nan 0.000 0.447 112 R N -0.810 119.801 120.500 0.186 0.000 2.096 112 R HA -0.009 4.332 4.340 0.001 0.000 0.235 112 R C 2.039 178.378 176.300 0.064 0.000 1.127 112 R CA 1.345 57.514 56.100 0.114 0.000 0.968 112 R CB -0.469 29.862 30.300 0.052 0.000 0.861 112 R HN 0.515 nan 8.270 nan 0.000 0.440 113 L N -0.037 121.225 121.223 0.065 0.000 2.156 113 L HA -0.127 4.214 4.340 0.001 0.000 0.208 113 L C 2.638 179.627 176.870 0.198 0.000 1.095 113 L CA 0.863 55.745 54.840 0.071 0.000 0.770 113 L CB -0.322 41.733 42.059 -0.006 0.000 0.914 113 L HN 0.190 nan 8.230 nan 0.000 0.439 114 S N -0.166 115.638 115.700 0.173 0.000 2.345 114 S HA -0.160 4.310 4.470 0.001 0.000 0.220 114 S C 2.167 176.764 174.600 -0.005 0.000 1.031 114 S CA 1.277 59.467 58.200 -0.017 0.000 0.996 114 S CB -0.091 63.041 63.200 -0.114 0.000 0.882 114 S HN 0.421 nan 8.310 nan 0.000 0.445 115 A N 0.717 123.575 122.820 0.062 0.000 1.902 115 A HA 0.103 4.424 4.320 0.001 0.000 0.217 115 A C 2.318 179.899 177.584 -0.004 0.000 1.181 115 A CA 1.839 53.907 52.037 0.051 0.000 0.623 115 A CB -1.561 17.493 19.000 0.091 0.000 0.818 115 A HN 0.646 nan 8.150 nan 0.000 0.443 116 G N -0.858 107.938 108.800 -0.007 0.000 2.443 116 G HA2 0.107 4.067 3.960 0.001 0.000 0.219 116 G HA3 0.107 4.067 3.960 0.001 0.000 0.219 116 G C 1.423 176.292 174.900 -0.050 0.000 1.131 116 G CA 1.158 46.228 45.100 -0.051 0.000 0.775 116 G HN 0.679 nan 8.290 nan 0.000 0.547 117 G N 1.211 110.014 108.800 0.005 0.000 2.421 117 G HA2 0.037 3.998 3.960 0.001 0.000 0.216 117 G HA3 0.037 3.998 3.960 0.001 0.000 0.216 117 G C 2.043 176.924 174.900 -0.031 0.000 1.171 117 G CA 1.466 46.577 45.100 0.017 0.000 0.775 117 G HN 0.569 nan 8.290 nan 0.000 0.543 118 A N 0.144 122.936 122.820 -0.046 0.000 1.883 118 A HA 0.038 4.359 4.320 0.001 0.000 0.217 118 A C 2.622 180.158 177.584 -0.081 0.000 1.186 118 A CA 1.991 53.992 52.037 -0.060 0.000 0.624 118 A CB -0.691 18.279 19.000 -0.049 0.000 0.822 118 A HN 0.272 nan 8.150 nan 0.000 0.444 119 V N -0.005 119.835 119.914 -0.123 0.000 2.307 119 V HA -0.199 3.922 4.120 0.001 0.000 0.245 119 V C 2.623 178.542 176.094 -0.292 0.000 1.045 119 V CA 2.084 64.229 62.300 -0.259 0.000 1.024 119 V CB -0.729 30.878 31.823 -0.360 0.000 0.651 119 V HN 0.490 nan 8.190 nan 0.000 0.449 120 E N -0.040 120.041 120.200 -0.197 0.000 2.051 120 E HA -0.175 4.176 4.350 0.001 0.000 0.192 120 E C 2.223 178.779 176.600 -0.074 0.000 0.991 120 E CA 1.126 57.442 56.400 -0.140 0.000 0.799 120 E CB -0.387 29.257 29.700 -0.093 0.000 0.748 120 E HN 0.467 nan 8.360 nan 0.000 0.449 121 L N 0.777 121.972 121.223 -0.046 0.000 2.046 121 L HA -0.199 4.142 4.340 0.001 0.000 0.208 121 L C 2.318 179.190 176.870 0.003 0.000 1.077 121 L CA 1.521 56.360 54.840 -0.003 0.000 0.747 121 L CB -0.483 41.583 42.059 0.012 0.000 0.896 121 L HN 0.194 nan 8.230 nan 0.000 0.432 122 T N -0.850 113.692 114.554 -0.020 0.000 2.652 122 T HA -0.286 4.065 4.350 0.001 0.000 0.267 122 T C 1.902 176.633 174.700 0.053 0.000 1.039 122 T CA 1.710 63.817 62.100 0.012 0.000 1.153 122 T CB -0.270 68.606 68.868 0.014 0.000 0.863 122 T HN 0.311 nan 8.240 nan 0.000 0.428 123 R N 0.810 121.327 120.500 0.028 0.000 2.096 123 R HA -0.112 4.229 4.340 0.001 0.000 0.240 123 R C 2.496 178.845 176.300 0.081 0.000 1.139 123 R CA 1.537 57.706 56.100 0.116 0.000 0.952 123 R CB -0.079 30.246 30.300 0.041 0.000 0.854 123 R HN 0.315 nan 8.270 nan 0.000 0.436 124 R N -0.324 120.202 120.500 0.043 0.000 2.153 124 R HA -0.007 4.334 4.340 0.001 0.000 0.218 124 R C 2.244 178.575 176.300 0.052 0.000 1.072 124 R CA 0.908 57.035 56.100 0.045 0.000 0.990 124 R CB 0.007 30.328 30.300 0.036 0.000 0.889 124 R HN 0.148 nan 8.270 nan 0.000 0.452 125 V N 1.100 121.047 119.914 0.055 0.000 2.358 125 V HA -0.189 3.932 4.120 0.001 0.000 0.246 125 V C 2.450 178.575 176.094 0.052 0.000 1.047 125 V CA 1.972 64.307 62.300 0.058 0.000 1.035 125 V CB -0.535 31.324 31.823 0.061 0.000 0.658 125 V HN 0.335 nan 8.190 nan 0.000 0.452 126 A N -0.382 122.471 122.820 0.056 0.000 1.969 126 A HA -0.189 4.131 4.320 0.001 0.000 0.218 126 A C 2.316 179.926 177.584 0.043 0.000 1.169 126 A CA 2.210 54.277 52.037 0.049 0.000 0.635 126 A CB -0.832 18.206 19.000 0.062 0.000 0.810 126 A HN 0.501 nan 8.150 nan 0.000 0.445 127 T N -0.945 113.639 114.554 0.050 0.000 3.007 127 T HA 0.246 4.597 4.350 0.001 0.000 0.270 127 T C 1.544 176.265 174.700 0.034 0.000 1.107 127 T CA 1.478 63.603 62.100 0.041 0.000 1.118 127 T CB -0.237 68.658 68.868 0.045 0.000 0.889 127 T HN 1.453 nan 8.240 nan 0.000 0.506 128 G N 1.129 109.952 108.800 0.038 0.000 2.175 128 G HA2 -0.281 3.679 3.960 0.001 0.000 0.244 128 G HA3 -0.281 3.679 3.960 0.001 0.000 0.244 128 G C 0.720 175.643 174.900 0.039 0.000 0.982 128 G CA 0.554 45.676 45.100 0.036 0.000 0.641 128 G HN 0.523 nan 8.290 nan 0.000 0.527 129 E N -0.429 119.795 120.200 0.040 0.000 2.110 129 E HA 0.025 4.376 4.350 0.001 0.000 0.193 129 E C 0.974 177.603 176.600 0.048 0.000 0.988 129 E CA 0.737 57.161 56.400 0.041 0.000 0.804 129 E CB -0.053 29.670 29.700 0.039 0.000 0.745 129 E HN 0.631 nan 8.360 nan 0.000 0.458 130 L N -0.103 121.153 121.223 0.055 0.000 2.333 130 L HA 0.195 4.535 4.340 0.001 0.000 0.269 130 L C 1.326 178.238 176.870 0.070 0.000 1.010 130 L CA -0.412 54.468 54.840 0.068 0.000 0.818 130 L CB 1.925 44.031 42.059 0.079 0.000 1.306 130 L HN -0.046 nan 8.230 nan 0.000 0.430 131 S N 0.341 116.088 115.700 0.079 0.000 2.425 131 S HA 0.414 4.884 4.470 0.001 0.000 0.225 131 S C 0.552 175.212 174.600 0.101 0.000 1.024 131 S CA 0.376 58.624 58.200 0.081 0.000 0.951 131 S CB 0.250 63.498 63.200 0.079 0.000 0.796 131 S HN 0.787 nan 8.310 nan 0.000 0.498 132 A N -0.840 122.054 122.820 0.123 0.000 2.511 132 A HA 0.791 5.112 4.320 0.001 0.000 0.293 132 A C -0.322 177.375 177.584 0.188 0.000 1.098 132 A CA -0.382 51.754 52.037 0.165 0.000 0.643 132 A CB 0.584 19.708 19.000 0.207 0.000 1.302 132 A HN 1.281 nan 8.150 nan 0.000 0.446 133 G N -1.810 107.140 108.800 0.250 0.000 2.495 133 G HA2 0.570 4.531 3.960 0.001 0.000 0.294 133 G HA3 0.570 4.531 3.960 0.001 0.000 0.294 133 G C -2.294 172.823 174.900 0.362 0.000 1.397 133 G CA -0.331 44.932 45.100 0.271 0.000 0.790 133 G HN 1.483 nan 8.290 nan 0.000 0.486 134 Y N 0.411 120.857 120.300 0.244 0.000 2.338 134 Y HA 0.610 5.161 4.550 0.001 0.000 0.333 134 Y C 0.008 175.997 175.900 0.148 0.000 0.968 134 Y CA -0.625 57.629 58.100 0.256 0.000 1.123 134 Y CB 2.075 40.694 38.460 0.265 0.000 1.165 134 Y HN 0.833 nan 8.280 nan 0.000 0.452 135 A N 6.268 129.122 122.820 0.057 0.000 2.322 135 A HA 0.424 4.745 4.320 0.001 0.000 0.327 135 A C -1.311 176.330 177.584 0.094 0.000 1.394 135 A CA -0.603 51.456 52.037 0.036 0.000 0.921 135 A CB 0.185 19.161 19.000 -0.040 0.000 1.153 135 A HN 0.681 nan 8.150 nan 0.000 0.523 136 L N 5.652 126.985 121.223 0.185 0.000 2.423 136 L HA 0.364 4.705 4.340 0.001 0.000 0.249 136 L C 0.227 177.145 176.870 0.080 0.000 1.276 136 L CA -0.040 54.963 54.840 0.272 0.000 1.199 136 L CB -0.441 41.718 42.059 0.165 0.000 1.407 136 L HN 0.549 nan 8.230 nan 0.000 0.410 137 V N 1.313 121.093 119.914 -0.223 0.000 2.997 137 V HA 0.732 4.853 4.120 0.001 0.000 0.311 137 V C -0.130 175.584 176.094 -0.633 0.000 1.066 137 V CA -0.631 61.131 62.300 -0.897 0.000 1.039 137 V CB 1.717 33.162 31.823 -0.629 0.000 1.081 137 V HN 0.767 nan 8.190 nan 0.000 0.467 138 N N 1.435 119.614 118.700 -0.868 0.000 2.635 138 N HA 0.524 5.265 4.740 0.001 0.000 0.260 138 N C -3.222 172.152 175.510 -0.227 0.000 1.078 138 N CA -1.002 51.862 53.050 -0.310 0.000 1.012 138 N CB 2.767 41.198 38.487 -0.093 0.000 1.677 138 N HN 0.635 nan 8.380 nan 0.000 0.514 139 P HA 0.303 nan 4.420 nan 0.000 0.272 139 P C -2.680 174.610 177.300 -0.016 0.000 1.240 139 P CA -0.797 62.288 63.100 -0.024 0.000 0.791 139 P CB 0.157 31.861 31.700 0.006 0.000 0.978 140 P HA 0.144 nan 4.420 nan 0.000 0.286 140 P C 0.469 177.831 177.300 0.104 0.000 1.293 140 P CA 0.156 63.296 63.100 0.067 0.000 0.770 140 P CB 0.402 32.184 31.700 0.136 0.000 1.206 141 G N -1.753 107.114 108.800 0.111 0.000 2.599 141 G HA2 -0.033 3.928 3.960 0.001 0.000 0.196 141 G HA3 -0.033 3.928 3.960 0.001 0.000 0.196 141 G C 1.096 176.119 174.900 0.205 0.000 1.148 141 G CA 0.353 45.548 45.100 0.159 0.000 0.809 141 G HN 0.725 nan 8.290 nan 0.000 0.764 142 H N -1.421 117.625 119.070 -0.040 0.000 2.521 142 H HA 0.143 4.700 4.556 0.001 0.000 0.286 142 H C 1.833 177.098 175.328 -0.104 0.000 1.034 142 H CA 0.856 56.851 56.048 -0.089 0.000 1.278 142 H CB -0.078 29.600 29.762 -0.141 0.000 1.386 142 H HN 0.280 nan 8.280 nan 0.000 0.567 143 H N 0.979 120.026 119.070 -0.038 0.000 2.544 143 H HA 0.334 4.891 4.556 0.002 0.000 0.269 143 H C 0.780 176.079 175.328 -0.049 0.000 0.970 143 H CA 0.519 56.484 56.048 -0.139 0.000 1.219 143 H CB 0.043 29.767 29.762 -0.063 0.000 1.421 143 H HN 0.505 nan 8.280 nan 0.000 0.555 144 A N 4.123 127.029 122.820 0.142 0.000 2.395 144 A HA 0.264 4.584 4.320 0.001 0.000 0.286 144 A C -1.992 175.665 177.584 0.122 0.000 1.193 144 A CA -1.063 51.046 52.037 0.120 0.000 0.852 144 A CB 0.294 19.405 19.000 0.185 0.000 1.118 144 A HN 0.087 nan 8.150 nan 0.000 0.524 145 P HA 0.151 nan 4.420 nan 0.000 0.306 145 P C 0.613 177.923 177.300 0.018 0.000 1.309 145 P CA -0.251 62.840 63.100 -0.014 0.000 0.759 145 P CB 0.587 32.253 31.700 -0.057 0.000 1.314 146 H N -0.248 118.747 119.070 -0.126 0.000 2.353 146 H HA -0.133 4.424 4.556 0.002 0.000 0.298 146 H C 1.185 176.534 175.328 0.035 0.000 1.103 146 H CA 2.233 58.212 56.048 -0.116 0.000 1.293 146 H CB -0.169 29.504 29.762 -0.148 0.000 1.372 146 H HN 0.357 nan 8.280 nan 0.000 0.501 147 N N -0.241 118.413 118.700 -0.076 0.000 2.338 147 N HA 0.341 5.082 4.740 0.001 0.000 0.251 147 N C -1.210 174.180 175.510 -0.200 0.000 1.199 147 N CA 0.464 53.437 53.050 -0.128 0.000 0.879 147 N CB 0.436 38.908 38.487 -0.025 0.000 1.159 147 N HN 0.380 nan 8.380 nan 0.000 0.514 148 A N -0.147 122.392 122.820 -0.469 0.000 2.586 148 A HA 0.704 5.025 4.320 0.001 0.000 0.291 148 A C -1.522 175.729 177.584 -0.555 0.000 1.062 148 A CA -0.571 51.224 52.037 -0.404 0.000 0.666 148 A CB 0.812 19.721 19.000 -0.151 0.000 1.281 148 A HN 0.162 nan 8.150 nan 0.000 0.421 149 A N 0.713 123.434 122.820 -0.165 0.000 2.295 149 A HA 0.916 5.237 4.320 0.001 0.000 0.318 149 A C -0.233 177.336 177.584 -0.026 0.000 1.134 149 A CA -0.233 51.775 52.037 -0.049 0.000 0.827 149 A CB 0.954 19.968 19.000 0.022 0.000 1.136 149 A HN 1.778 nan 8.150 nan 0.000 0.493 150 M N 0.993 120.601 119.600 0.013 0.000 2.523 150 M HA 0.477 4.958 4.480 0.001 0.000 0.287 150 M C 0.252 176.578 176.300 0.043 0.000 1.160 150 M CA 0.742 56.053 55.300 0.019 0.000 0.902 150 M CB 1.734 34.334 32.600 -0.000 0.000 1.752 150 M HN 2.044 nan 8.290 nan 0.000 0.504 151 G N 3.182 111.933 108.800 -0.083 0.000 2.366 151 G HA2 -0.273 3.688 3.960 0.001 0.000 0.299 151 G HA3 -0.273 3.688 3.960 0.001 0.000 0.299 151 G C 0.114 174.847 174.900 -0.279 0.000 1.020 151 G CA 0.877 45.752 45.100 -0.376 0.000 1.026 151 G HN 1.213 nan 8.290 nan 0.000 0.512 152 F N -4.724 115.268 119.950 0.069 0.000 2.656 152 F HA -0.297 4.230 4.527 0.001 0.000 0.381 152 F C 1.284 177.125 175.800 0.068 0.000 0.603 152 F CA 0.139 58.180 58.000 0.069 0.000 1.335 152 F CB -2.010 37.062 39.000 0.121 0.000 1.836 152 F HN 0.534 nan 8.300 nan 0.000 0.290 153 C N 2.345 121.777 119.300 0.219 0.000 2.273 153 C HA 0.483 4.944 4.460 0.001 0.000 0.328 153 C C 1.809 176.820 174.990 0.035 0.000 1.275 153 C CA -0.866 58.240 59.018 0.147 0.000 1.704 153 C CB 0.542 28.399 27.740 0.195 0.000 2.326 153 C HN 0.231 nan 8.230 nan 0.000 0.517 154 I N 0.954 121.481 120.570 -0.071 0.000 2.512 154 I HA 0.231 4.402 4.170 0.001 0.000 0.247 154 I C 0.321 176.158 176.117 -0.466 0.000 1.094 154 I CA 1.196 62.295 61.300 -0.335 0.000 1.427 154 I CB -0.558 37.123 38.000 -0.532 0.000 1.149 154 I HN 0.386 nan 8.210 nan 0.000 0.438 155 F N 0.512 120.491 119.950 0.050 0.000 2.577 155 F HA 0.381 4.909 4.527 0.002 0.000 0.318 155 F C 0.742 176.679 175.800 0.227 0.000 1.065 155 F CA -1.560 56.481 58.000 0.069 0.000 0.929 155 F CB 0.448 39.480 39.000 0.054 0.000 1.237 155 F HN -0.129 nan 8.300 nan 0.000 0.468 156 N N 2.605 121.726 118.700 0.701 0.000 2.555 156 N HA 0.023 4.764 4.740 0.001 0.000 0.244 156 N C 0.569 176.244 175.510 0.276 0.000 1.114 156 N CA 0.171 53.448 53.050 0.377 0.000 0.963 156 N CB 0.053 38.694 38.487 0.257 0.000 1.276 156 N HN 0.548 nan 8.380 nan 0.000 0.510 157 N N 1.166 119.985 118.700 0.199 0.000 2.061 157 N HA -0.190 4.550 4.740 0.001 0.000 0.193 157 N C 1.638 177.199 175.510 0.086 0.000 1.030 157 N CA 2.097 55.219 53.050 0.120 0.000 0.856 157 N CB -0.536 37.978 38.487 0.045 0.000 1.023 157 N HN 0.624 nan 8.380 nan 0.000 0.424 158 T N -1.760 112.835 114.554 0.068 0.000 2.821 158 T HA 0.019 4.370 4.350 0.001 0.000 0.267 158 T C 2.149 176.926 174.700 0.128 0.000 1.046 158 T CA 1.340 63.466 62.100 0.043 0.000 1.139 158 T CB -0.393 68.471 68.868 -0.007 0.000 0.871 158 T HN 0.009 nan 8.240 nan 0.000 0.454 159 S N 0.865 116.699 115.700 0.223 0.000 2.387 159 S HA 0.021 4.492 4.470 0.001 0.000 0.226 159 S C 2.222 177.024 174.600 0.337 0.000 1.026 159 S CA 0.865 59.310 58.200 0.409 0.000 0.972 159 S CB -0.473 62.938 63.200 0.351 0.000 0.814 159 S HN 0.407 nan 8.310 nan 0.000 0.477 160 V N 2.244 122.278 119.914 0.201 0.000 2.287 160 V HA -0.230 3.891 4.120 0.001 0.000 0.248 160 V C 2.686 178.880 176.094 0.167 0.000 1.053 160 V CA 1.804 64.199 62.300 0.159 0.000 1.027 160 V CB -1.281 30.605 31.823 0.105 0.000 0.646 160 V HN 0.534 nan 8.190 nan 0.000 0.447 161 A N 0.089 122.979 122.820 0.117 0.000 1.883 161 A HA -0.181 4.139 4.320 0.001 0.000 0.217 161 A C 2.441 180.109 177.584 0.140 0.000 1.186 161 A CA 2.407 54.499 52.037 0.091 0.000 0.624 161 A CB -0.927 18.087 19.000 0.022 0.000 0.822 161 A HN 0.603 nan 8.150 nan 0.000 0.444 162 A N -0.607 122.279 122.820 0.111 0.000 1.902 162 A HA 0.105 4.426 4.320 0.001 0.000 0.217 162 A C 2.434 180.062 177.584 0.074 0.000 1.181 162 A CA 2.008 54.052 52.037 0.013 0.000 0.623 162 A CB -1.423 17.486 19.000 -0.152 0.000 0.818 162 A HN 0.778 nan 8.150 nan 0.000 0.443 163 G N -1.760 107.209 108.800 0.281 0.000 2.418 163 G HA2 -0.278 3.683 3.960 0.001 0.000 0.217 163 G HA3 -0.278 3.683 3.960 0.001 0.000 0.217 163 G C 1.561 176.580 174.900 0.199 0.000 1.158 163 G CA 1.270 46.574 45.100 0.340 0.000 0.771 163 G HN 0.612 nan 8.290 nan 0.000 0.545 164 Y N 1.920 122.267 120.300 0.078 0.000 2.145 164 Y HA 0.021 4.571 4.550 0.001 0.000 0.286 164 Y C 2.927 178.838 175.900 0.019 0.000 1.145 164 Y CA 1.565 59.688 58.100 0.039 0.000 1.148 164 Y CB -0.319 38.156 38.460 0.025 0.000 0.981 164 Y HN 0.244 nan 8.280 nan 0.000 0.507 165 A N 0.875 123.775 122.820 0.134 0.000 1.940 165 A HA -0.182 4.139 4.320 0.001 0.000 0.219 165 A C 2.322 179.865 177.584 -0.068 0.000 1.176 165 A CA 1.750 53.801 52.037 0.024 0.000 0.631 165 A CB -0.532 18.495 19.000 0.045 0.000 0.814 165 A HN 0.503 nan 8.150 nan 0.000 0.446 166 R N -0.861 119.612 120.500 -0.046 0.000 2.055 166 R HA 0.004 4.345 4.340 0.001 0.000 0.228 166 R C 2.567 178.829 176.300 -0.064 0.000 1.143 166 R CA 1.345 57.415 56.100 -0.050 0.000 0.945 166 R CB -0.616 29.678 30.300 -0.009 0.000 0.841 166 R HN 0.499 nan 8.270 nan 0.000 0.429 167 A N 0.516 123.298 122.820 -0.062 0.000 1.874 167 A HA -0.040 4.281 4.320 0.001 0.000 0.214 167 A C 2.337 179.828 177.584 -0.155 0.000 1.189 167 A CA 1.078 53.069 52.037 -0.076 0.000 0.615 167 A CB -0.324 18.657 19.000 -0.031 0.000 0.830 167 A HN 0.106 nan 8.150 nan 0.000 0.443 168 V N -0.210 119.517 119.914 -0.311 0.000 2.446 168 V HA -0.038 4.082 4.120 0.001 0.000 0.244 168 V C 2.179 178.069 176.094 -0.340 0.000 1.039 168 V CA 1.356 63.401 62.300 -0.425 0.000 1.045 168 V CB -0.511 30.772 31.823 -0.900 0.000 0.681 168 V HN 0.499 nan 8.190 nan 0.000 0.459 169 L N 0.309 121.335 121.223 -0.329 0.000 2.567 169 L HA 0.361 4.702 4.340 0.001 0.000 0.225 169 L C 1.765 178.570 176.870 -0.107 0.000 1.119 169 L CA 0.821 55.556 54.840 -0.174 0.000 0.871 169 L CB -0.379 41.612 42.059 -0.112 0.000 1.036 169 L HN 0.541 nan 8.230 nan 0.000 0.459 170 G N 0.721 109.455 108.800 -0.110 0.000 2.153 170 G HA2 -0.320 3.641 3.960 0.001 0.000 0.252 170 G HA3 -0.320 3.641 3.960 0.001 0.000 0.252 170 G C 0.325 175.185 174.900 -0.068 0.000 0.994 170 G CA 0.044 45.097 45.100 -0.078 0.000 0.698 170 G HN 0.259 nan 8.290 nan 0.000 0.521 171 M N 0.091 119.649 119.600 -0.070 0.000 2.245 171 M HA 0.226 4.707 4.480 0.001 0.000 0.344 171 M C 1.423 177.676 176.300 -0.080 0.000 1.170 171 M CA -0.002 55.257 55.300 -0.069 0.000 1.135 171 M CB 0.533 33.095 32.600 -0.064 0.000 1.574 171 M HN 0.056 nan 8.290 nan 0.000 0.452 172 E N 2.190 122.335 120.200 -0.091 0.000 2.122 172 E HA 0.094 4.445 4.350 0.001 0.000 0.190 172 E C 0.047 176.569 176.600 -0.131 0.000 0.977 172 E CA 1.050 57.387 56.400 -0.105 0.000 0.820 172 E CB 0.336 29.967 29.700 -0.115 0.000 0.770 172 E HN 0.553 nan 8.360 nan 0.000 0.462 173 R N 0.139 120.550 120.500 -0.149 0.000 2.574 173 R HA 0.532 4.873 4.340 0.001 0.000 0.288 173 R C -1.127 175.139 176.300 -0.056 0.000 1.004 173 R CA -0.446 55.566 56.100 -0.147 0.000 0.895 173 R CB 2.615 32.654 30.300 -0.436 0.000 1.191 173 R HN -0.180 nan 8.270 nan 0.000 0.444 174 V N 1.535 121.444 119.914 -0.008 0.000 2.735 174 V HA 0.706 4.827 4.120 0.001 0.000 0.310 174 V C -0.456 175.628 176.094 -0.018 0.000 1.061 174 V CA -0.912 61.359 62.300 -0.048 0.000 0.913 174 V CB 1.947 33.664 31.823 -0.177 0.000 1.005 174 V HN 0.903 nan 8.190 nan 0.000 0.428 175 A N 5.028 127.832 122.820 -0.027 0.000 2.318 175 A HA 0.889 5.210 4.320 0.001 0.000 0.324 175 A C -0.772 176.719 177.584 -0.155 0.000 1.170 175 A CA -0.490 51.480 52.037 -0.111 0.000 0.810 175 A CB 0.618 19.593 19.000 -0.041 0.000 1.198 175 A HN 0.768 nan 8.150 nan 0.000 0.484 176 I N 2.955 123.417 120.570 -0.180 0.000 2.330 176 I HA 0.271 4.442 4.170 0.001 0.000 0.289 176 I C -0.730 175.315 176.117 -0.120 0.000 1.001 176 I CA -0.557 60.651 61.300 -0.152 0.000 1.193 176 I CB 1.533 39.465 38.000 -0.114 0.000 1.345 176 I HN 0.552 nan 8.210 nan 0.000 0.461 177 L N 7.195 128.320 121.223 -0.162 0.000 2.280 177 L HA 0.512 4.852 4.340 0.001 0.000 0.287 177 L C -0.784 175.975 176.870 -0.185 0.000 1.023 177 L CA 0.066 54.833 54.840 -0.122 0.000 0.819 177 L CB 1.073 43.061 42.059 -0.119 0.000 1.212 177 L HN 0.450 nan 8.230 nan 0.000 0.420 178 D N 4.503 124.883 120.400 -0.034 0.000 2.441 178 D HA 0.234 4.875 4.640 0.001 0.000 0.231 178 D C -0.314 176.090 176.300 0.174 0.000 1.073 178 D CA -0.498 53.488 54.000 -0.022 0.000 0.850 178 D CB 0.702 41.562 40.800 0.099 0.000 1.062 178 D HN 0.593 nan 8.370 nan 0.000 0.524 179 W N 3.477 124.846 121.300 0.116 0.000 2.991 179 W HA 0.364 5.024 4.660 0.001 0.000 0.391 179 W C 0.041 176.665 176.519 0.175 0.000 1.054 179 W CA -0.984 56.484 57.345 0.205 0.000 1.856 179 W CB -0.838 28.771 29.460 0.249 0.000 1.132 179 W HN 0.153 nan 8.180 nan 0.000 0.601 180 D N 1.575 122.152 120.400 0.295 0.000 2.506 180 D HA -0.144 4.497 4.640 0.001 0.000 0.234 180 D C 1.265 177.772 176.300 0.345 0.000 1.143 180 D CA 0.454 54.582 54.000 0.213 0.000 0.871 180 D CB 2.163 42.907 40.800 -0.093 0.000 1.190 180 D HN 0.060 nan 8.370 nan 0.000 0.459 181 V N 4.058 124.120 119.914 0.247 0.000 3.078 181 V HA -0.143 3.978 4.120 0.001 0.000 0.265 181 V C 0.264 176.428 176.094 0.117 0.000 1.122 181 V CA 1.385 63.783 62.300 0.164 0.000 1.141 181 V CB -0.617 31.216 31.823 0.017 0.000 0.735 181 V HN 0.502 nan 8.190 nan 0.000 0.498 182 H N -1.164 118.203 119.070 0.494 0.000 2.525 182 H HA 0.459 5.016 4.556 0.002 0.000 0.340 182 H C -0.131 175.446 175.328 0.415 0.000 1.168 182 H CA -0.630 55.708 56.048 0.483 0.000 1.247 182 H CB 0.602 30.716 29.762 0.588 0.000 1.568 182 H HN 0.336 nan 8.280 nan 0.000 0.536 183 H N 0.611 119.769 119.070 0.147 0.000 2.886 183 H HA 0.126 4.682 4.556 0.001 0.000 0.329 183 H C 0.692 175.941 175.328 -0.132 0.000 1.044 183 H CA -0.292 55.615 56.048 -0.235 0.000 1.456 183 H CB 0.522 29.948 29.762 -0.560 0.000 1.464 183 H HN 0.864 nan 8.280 nan 0.000 0.573 184 G N 5.030 113.577 108.800 -0.422 0.000 3.316 184 G HA2 -0.101 3.859 3.960 0.001 0.000 0.255 184 G HA3 -0.101 3.859 3.960 0.001 0.000 0.255 184 G C 1.023 175.528 174.900 -0.658 0.000 0.880 184 G CA -0.074 44.735 45.100 -0.486 0.000 1.956 184 G HN 0.894 nan 8.290 nan 0.000 0.634 185 N N 0.936 119.161 118.700 -0.793 0.000 2.223 185 N HA -0.121 4.620 4.740 0.001 0.000 0.185 185 N C 2.041 177.427 175.510 -0.207 0.000 1.016 185 N CA 1.414 54.158 53.050 -0.510 0.000 0.863 185 N CB -0.437 37.905 38.487 -0.242 0.000 0.983 185 N HN 0.285 nan 8.380 nan 0.000 0.429 186 G N 0.611 109.326 108.800 -0.142 0.000 2.404 186 G HA2 -0.193 3.768 3.960 0.001 0.000 0.215 186 G HA3 -0.193 3.768 3.960 0.001 0.000 0.215 186 G C 1.520 176.407 174.900 -0.022 0.000 1.174 186 G CA 1.461 46.531 45.100 -0.049 0.000 0.780 186 G HN 0.404 nan 8.290 nan 0.000 0.537 187 T N 0.486 115.051 114.554 0.018 0.000 2.746 187 T HA -0.166 4.185 4.350 0.001 0.000 0.267 187 T C 2.265 177.087 174.700 0.204 0.000 1.039 187 T CA 1.591 63.778 62.100 0.146 0.000 1.142 187 T CB -0.289 68.683 68.868 0.174 0.000 0.866 187 T HN 0.447 nan 8.240 nan 0.000 0.444 188 Q N 0.971 120.852 119.800 0.135 0.000 2.077 188 Q HA -0.247 4.094 4.340 0.001 0.000 0.206 188 Q C 2.094 178.256 176.000 0.269 0.000 0.989 188 Q CA 2.263 58.215 55.803 0.249 0.000 0.853 188 Q CB -0.305 28.565 28.738 0.221 0.000 0.907 188 Q HN 0.568 nan 8.270 nan 0.000 0.418 189 D N -0.329 120.108 120.400 0.061 0.000 2.123 189 D HA -0.170 4.471 4.640 0.001 0.000 0.196 189 D C 1.822 178.111 176.300 -0.018 0.000 0.992 189 D CA 1.609 55.588 54.000 -0.036 0.000 0.833 189 D CB -0.141 40.591 40.800 -0.112 0.000 0.954 189 D HN 0.417 nan 8.370 nan 0.000 0.455 190 I N -0.870 119.622 120.570 -0.130 0.000 2.252 190 I HA -0.163 4.007 4.170 0.001 0.000 0.245 190 I C 1.021 176.819 176.117 -0.533 0.000 1.102 190 I CA 0.883 61.912 61.300 -0.451 0.000 1.385 190 I CB -0.173 37.391 38.000 -0.727 0.000 1.064 190 I HN 0.208 nan 8.210 nan 0.000 0.414 191 W N -0.268 121.085 121.300 0.089 0.000 3.223 191 W HA 0.087 4.748 4.660 0.001 0.000 0.389 191 W C 1.872 178.479 176.519 0.145 0.000 1.118 191 W CA -0.708 56.685 57.345 0.080 0.000 1.902 191 W CB -0.394 29.092 29.460 0.044 0.000 1.094 191 W HN 0.210 nan 8.180 nan 0.000 0.666 192 W N 1.741 123.098 121.300 0.096 0.000 2.318 192 W HA -0.238 4.424 4.660 0.002 0.000 0.313 192 W C 0.853 177.436 176.519 0.106 0.000 1.221 192 W CA 1.556 58.956 57.345 0.091 0.000 1.266 192 W CB -0.129 29.353 29.460 0.036 0.000 1.150 192 W HN -0.100 nan 8.180 nan 0.000 0.496 193 N N 0.432 119.234 118.700 0.171 0.000 2.270 193 N HA -0.033 4.708 4.740 0.001 0.000 0.198 193 N C -0.867 174.687 175.510 0.073 0.000 1.117 193 N CA 0.599 53.683 53.050 0.058 0.000 0.845 193 N CB 0.010 38.558 38.487 0.101 0.000 0.980 193 N HN 0.015 nan 8.380 nan 0.000 0.486 194 D N 1.055 121.535 120.400 0.133 0.000 2.440 194 D HA 0.194 4.835 4.640 0.001 0.000 0.239 194 D C -1.820 174.527 176.300 0.078 0.000 1.084 194 D CA -1.974 52.118 54.000 0.153 0.000 0.843 194 D CB 2.263 43.260 40.800 0.328 0.000 1.097 194 D HN -0.024 nan 8.370 nan 0.000 0.531 195 P HA -0.041 nan 4.420 nan 0.000 0.241 195 P C 0.890 178.030 177.300 -0.267 0.000 1.191 195 P CA 0.329 63.226 63.100 -0.338 0.000 0.771 195 P CB 0.251 31.672 31.700 -0.465 0.000 0.929 196 S N -1.358 114.279 115.700 -0.105 0.000 2.562 196 S HA 0.095 4.566 4.470 0.001 0.000 0.221 196 S C 0.684 175.216 174.600 -0.113 0.000 0.975 196 S CA -0.075 58.077 58.200 -0.081 0.000 0.918 196 S CB -0.572 62.587 63.200 -0.067 0.000 0.772 196 S HN -0.077 nan 8.310 nan 0.000 0.531 197 V N 2.632 122.414 119.914 -0.220 0.000 2.447 197 V HA 0.466 4.587 4.120 0.001 0.000 0.292 197 V C -0.669 175.216 176.094 -0.348 0.000 1.021 197 V CA -0.874 61.153 62.300 -0.456 0.000 0.850 197 V CB 1.370 32.435 31.823 -1.263 0.000 1.005 197 V HN 0.468 nan 8.190 nan 0.000 0.426 198 L N 6.033 126.952 121.223 -0.507 0.000 2.319 198 L HA 0.650 4.990 4.340 0.001 0.000 0.280 198 L C 0.578 177.270 176.870 -0.297 0.000 1.099 198 L CA 0.779 55.279 54.840 -0.567 0.000 0.828 198 L CB 1.281 42.619 42.059 -1.201 0.000 1.150 198 L HN 0.834 nan 8.230 nan 0.000 0.442 199 T N 3.953 118.431 114.554 -0.127 0.000 2.791 199 T HA 0.681 5.032 4.350 0.001 0.000 0.288 199 T C -0.215 174.498 174.700 0.022 0.000 0.999 199 T CA -0.454 61.637 62.100 -0.015 0.000 0.952 199 T CB 0.449 69.390 68.868 0.122 0.000 0.938 199 T HN 0.461 nan 8.240 nan 0.000 0.444 200 I N 2.499 123.084 120.570 0.024 0.000 2.433 200 I HA 0.562 4.733 4.170 0.001 0.000 0.292 200 I C 0.054 176.255 176.117 0.141 0.000 1.001 200 I CA -0.793 60.547 61.300 0.067 0.000 1.119 200 I CB 2.171 40.189 38.000 0.030 0.000 1.289 200 I HN 0.663 nan 8.210 nan 0.000 0.438 201 S N 7.074 122.910 115.700 0.227 0.000 2.561 201 S HA 0.655 5.126 4.470 0.001 0.000 0.303 201 S C -0.809 173.969 174.600 0.297 0.000 1.110 201 S CA -0.644 57.768 58.200 0.354 0.000 1.034 201 S CB 0.724 64.254 63.200 0.549 0.000 1.010 201 S HN 0.453 nan 8.310 nan 0.000 0.482 202 L N 7.107 128.492 121.223 0.269 0.000 2.292 202 L HA 0.666 5.007 4.340 0.001 0.000 0.284 202 L C 0.126 177.144 176.870 0.247 0.000 1.065 202 L CA -0.693 54.212 54.840 0.109 0.000 0.806 202 L CB 0.747 42.924 42.059 0.197 0.000 1.175 202 L HN 0.755 nan 8.230 nan 0.000 0.431 203 H N 1.280 120.460 119.070 0.183 0.000 3.068 203 H HA 0.165 4.722 4.556 0.002 0.000 0.342 203 H C -1.479 173.943 175.328 0.156 0.000 1.284 203 H CA -0.990 55.192 56.048 0.224 0.000 1.181 203 H CB 1.571 31.494 29.762 0.268 0.000 1.898 203 H HN 0.588 nan 8.280 nan 0.000 0.540 204 Q N 1.789 121.773 119.800 0.306 0.000 2.274 204 Q HA -0.044 4.297 4.340 0.001 0.000 0.280 204 Q C -0.502 175.672 176.000 0.290 0.000 1.047 204 Q CA -0.061 55.881 55.803 0.231 0.000 0.907 204 Q CB 0.254 29.106 28.738 0.190 0.000 1.171 204 Q HN 0.572 nan 8.270 nan 0.000 0.381 205 H N 5.477 124.611 119.070 0.108 0.000 3.046 205 H HA -0.040 4.517 4.556 0.002 0.000 0.303 205 H C 0.203 175.542 175.328 0.019 0.000 1.002 205 H CA 0.418 56.499 56.048 0.056 0.000 1.460 205 H CB 0.236 29.977 29.762 -0.034 0.000 1.493 205 H HN 0.758 nan 8.280 nan 0.000 0.559 206 L N 3.858 124.869 121.223 -0.353 0.000 4.291 206 L HA -0.309 4.032 4.340 0.001 0.000 0.413 206 L C 2.004 178.825 176.870 -0.082 0.000 1.162 206 L CA 1.208 55.830 54.840 -0.363 0.000 0.961 206 L CB -2.365 39.371 42.059 -0.538 0.000 2.095 206 L HN 0.786 nan 8.230 nan 0.000 0.838 207 C N -0.880 118.466 119.300 0.076 0.000 2.496 207 C HA 0.115 4.576 4.460 0.001 0.000 0.281 207 C C 1.155 176.351 174.990 0.343 0.000 1.250 207 C CA 1.066 60.221 59.018 0.229 0.000 1.717 207 C CB -0.160 27.770 27.740 0.318 0.000 2.082 207 C HN 0.510 nan 8.230 nan 0.000 0.472 208 F N 0.422 120.487 119.950 0.192 0.000 2.654 208 F HA 0.537 5.065 4.527 0.001 0.000 0.314 208 F C -2.712 173.097 175.800 0.016 0.000 1.116 208 F CA -1.891 56.115 58.000 0.010 0.000 1.017 208 F CB 1.018 39.922 39.000 -0.161 0.000 1.285 208 F HN -0.012 nan 8.300 nan 0.000 0.448 209 P HA 0.284 nan 4.420 nan 0.000 0.274 209 P C -2.682 174.263 177.300 -0.592 0.000 1.256 209 P CA -1.024 61.256 63.100 -1.367 0.000 0.795 209 P CB 0.074 31.212 31.700 -0.936 0.000 1.038 210 P HA 0.019 nan 4.420 nan 0.000 0.274 210 P C -0.420 176.767 177.300 -0.187 0.000 1.246 210 P CA 0.311 63.271 63.100 -0.234 0.000 0.795 210 P CB 0.078 31.688 31.700 -0.150 0.000 1.006 211 D N -2.419 117.918 120.400 -0.106 0.000 2.708 211 D HA -0.148 4.493 4.640 0.001 0.000 0.236 211 D C -0.238 176.097 176.300 0.058 0.000 1.146 211 D CA 1.208 55.238 54.000 0.050 0.000 0.662 211 D CB -1.705 39.112 40.800 0.029 0.000 1.059 211 D HN 0.366 nan 8.370 nan 0.000 0.428 212 S N -1.913 113.733 115.700 -0.090 0.000 2.541 212 S HA 0.591 5.062 4.470 0.001 0.000 0.271 212 S C 0.747 175.117 174.600 -0.383 0.000 1.133 212 S CA 0.727 58.869 58.200 -0.097 0.000 0.876 212 S CB 1.999 65.168 63.200 -0.051 0.000 1.105 212 S HN 0.850 nan 8.310 nan 0.000 0.470 213 G N 1.825 110.260 108.800 -0.607 0.000 2.141 213 G HA2 -0.211 3.750 3.960 0.001 0.000 0.231 213 G HA3 -0.211 3.750 3.960 0.001 0.000 0.231 213 G C -0.252 174.566 174.900 -0.137 0.000 0.984 213 G CA 0.110 44.615 45.100 -0.992 0.000 0.660 213 G HN 0.679 nan 8.290 nan 0.000 0.525 214 Y N 1.366 121.682 120.300 0.027 0.000 2.550 214 Y HA 0.281 4.832 4.550 0.001 0.000 0.343 214 Y C 2.157 178.094 175.900 0.061 0.000 1.245 214 Y CA 0.707 58.865 58.100 0.097 0.000 1.462 214 Y CB 0.837 39.353 38.460 0.094 0.000 1.340 214 Y HN 0.276 nan 8.280 nan 0.000 0.604 215 S N -1.508 114.303 115.700 0.185 0.000 2.474 215 S HA -0.170 4.300 4.470 0.001 0.000 0.235 215 S C 1.660 176.325 174.600 0.108 0.000 0.997 215 S CA 1.024 59.286 58.200 0.103 0.000 0.949 215 S CB -0.982 62.237 63.200 0.031 0.000 0.766 215 S HN 0.877 nan 8.310 nan 0.000 0.517 216 T N -0.159 114.483 114.554 0.146 0.000 3.051 216 T HA 0.013 4.364 4.350 0.001 0.000 0.269 216 T C 0.402 175.207 174.700 0.175 0.000 1.127 216 T CA 0.460 62.634 62.100 0.123 0.000 1.107 216 T CB -0.641 68.279 68.868 0.087 0.000 0.898 216 T HN 0.555 nan 8.240 nan 0.000 0.517 217 E N 1.346 121.691 120.200 0.241 0.000 2.003 217 E HA 0.290 4.641 4.350 0.001 0.000 0.279 217 E C 0.601 177.362 176.600 0.268 0.000 1.132 217 E CA -0.242 56.400 56.400 0.403 0.000 0.888 217 E CB 0.502 30.453 29.700 0.419 0.000 1.056 217 E HN 0.415 nan 8.360 nan 0.000 0.399 218 R N 2.187 122.707 120.500 0.033 0.000 2.531 218 R HA 0.219 4.560 4.340 0.001 0.000 0.316 218 R C 0.503 176.436 176.300 -0.613 0.000 0.955 218 R CA 0.060 55.990 56.100 -0.283 0.000 1.120 218 R CB 1.246 31.326 30.300 -0.368 0.000 1.361 218 R HN 0.659 nan 8.270 nan 0.000 0.534 219 G N 1.013 109.083 108.800 -1.216 0.000 2.685 219 G HA2 0.078 4.039 3.960 0.001 0.000 0.387 219 G HA3 0.078 4.039 3.960 0.001 0.000 0.387 219 G C -1.107 173.127 174.900 -1.110 0.000 1.324 219 G CA -0.539 43.595 45.100 -1.609 0.000 0.878 219 G HN 0.392 nan 8.290 nan 0.000 0.527 220 A N -1.325 121.018 122.820 -0.795 0.000 2.606 220 A HA 1.170 5.490 4.320 0.001 0.000 0.293 220 A C 1.366 178.894 177.584 -0.093 0.000 1.082 220 A CA 1.337 53.210 52.037 -0.272 0.000 0.685 220 A CB 0.928 19.863 19.000 -0.108 0.000 1.284 220 A HN 3.053 nan 8.150 nan 0.000 0.408 221 G N 1.286 110.078 108.800 -0.013 0.000 2.634 221 G HA2 -0.392 3.569 3.960 0.001 0.000 0.309 221 G HA3 -0.392 3.569 3.960 0.001 0.000 0.309 221 G C 0.668 175.593 174.900 0.043 0.000 1.265 221 G CA 1.221 46.329 45.100 0.014 0.000 0.998 221 G HN 1.224 nan 8.290 nan 0.000 0.551 222 N N 1.376 120.106 118.700 0.049 0.000 2.453 222 N HA 0.188 4.929 4.740 0.001 0.000 0.183 222 N C 2.060 177.648 175.510 0.131 0.000 1.041 222 N CA 1.129 54.225 53.050 0.077 0.000 0.900 222 N CB -0.119 38.395 38.487 0.045 0.000 0.961 222 N HN 0.743 nan 8.380 nan 0.000 0.443 223 G N -0.695 108.160 108.800 0.091 0.000 2.985 223 G HA2 -0.120 3.841 3.960 0.001 0.000 0.209 223 G HA3 -0.120 3.841 3.960 0.001 0.000 0.209 223 G C -0.127 174.826 174.900 0.088 0.000 1.165 223 G CA -0.238 44.936 45.100 0.123 0.000 0.776 223 G HN 0.365 nan 8.290 nan 0.000 0.541 224 H N -0.018 119.023 119.070 -0.049 0.000 3.046 224 H HA 0.389 4.946 4.556 0.001 0.000 0.303 224 H C 1.439 176.649 175.328 -0.197 0.000 1.002 224 H CA 1.201 57.153 56.048 -0.160 0.000 1.460 224 H CB 0.389 30.070 29.762 -0.135 0.000 1.493 224 H HN 0.180 nan 8.280 nan 0.000 0.559 225 G N 3.747 112.094 108.800 -0.754 0.000 2.179 225 G HA2 -0.274 3.687 3.960 0.001 0.000 0.220 225 G HA3 -0.274 3.687 3.960 0.001 0.000 0.220 225 G C 0.078 174.515 174.900 -0.772 0.000 0.990 225 G CA 0.264 44.917 45.100 -0.745 0.000 0.646 225 G HN 0.616 nan 8.290 nan 0.000 0.517 226 Y N 1.220 121.388 120.300 -0.221 0.000 2.720 226 Y HA 0.447 4.998 4.550 0.001 0.000 0.277 226 Y C 0.768 176.563 175.900 -0.176 0.000 1.144 226 Y CA -0.589 57.394 58.100 -0.195 0.000 1.221 226 Y CB 0.457 38.829 38.460 -0.146 0.000 1.163 226 Y HN 0.274 nan 8.280 nan 0.000 0.537 227 N N 1.217 119.862 118.700 -0.092 0.000 2.410 227 N HA 0.440 5.181 4.740 0.001 0.000 0.287 227 N C -1.702 173.796 175.510 -0.019 0.000 1.044 227 N CA -0.268 52.782 53.050 -0.001 0.000 0.881 227 N CB 1.299 39.831 38.487 0.075 0.000 1.405 227 N HN 0.139 nan 8.380 nan 0.000 0.490 228 I N 2.532 123.116 120.570 0.024 0.000 2.410 228 I HA 0.281 4.452 4.170 0.001 0.000 0.286 228 I C -0.508 175.670 176.117 0.102 0.000 1.009 228 I CA -0.649 60.664 61.300 0.022 0.000 1.111 228 I CB 1.525 39.511 38.000 -0.023 0.000 1.262 228 I HN 0.367 nan 8.210 nan 0.000 0.443 229 N N 5.025 123.798 118.700 0.121 0.000 2.421 229 N HA 0.466 5.207 4.740 0.001 0.000 0.285 229 N C -0.880 174.629 175.510 -0.001 0.000 1.027 229 N CA -0.564 52.589 53.050 0.172 0.000 0.918 229 N CB 2.284 40.912 38.487 0.234 0.000 1.152 229 N HN 0.222 nan 8.380 nan 0.000 0.485 230 V N 3.546 123.373 119.914 -0.145 0.000 2.225 230 V HA 0.289 4.410 4.120 0.001 0.000 0.264 230 V C -2.194 173.610 176.094 -0.483 0.000 1.067 230 V CA -1.576 60.583 62.300 -0.234 0.000 0.903 230 V CB 0.234 31.964 31.823 -0.154 0.000 1.136 230 V HN 0.600 nan 8.190 nan 0.000 0.456 231 P HA 0.330 nan 4.420 nan 0.000 0.276 231 P C -0.725 176.436 177.300 -0.233 0.000 1.235 231 P CA 0.126 63.005 63.100 -0.368 0.000 0.772 231 P CB 1.401 33.007 31.700 -0.158 0.000 0.871 232 L N 5.347 126.482 121.223 -0.147 0.000 2.341 232 L HA 0.558 4.898 4.340 0.001 0.000 0.267 232 L C -2.154 174.711 176.870 -0.008 0.000 1.009 232 L CA -2.803 51.966 54.840 -0.118 0.000 0.819 232 L CB 2.471 44.405 42.059 -0.208 0.000 1.323 232 L HN 0.187 nan 8.230 nan 0.000 0.425 233 P HA 0.206 nan 4.420 nan 0.000 0.275 233 P C -2.669 174.665 177.300 0.057 0.000 1.228 233 P CA -1.612 61.511 63.100 0.038 0.000 0.786 233 P CB -0.003 31.706 31.700 0.014 0.000 0.927 234 P HA -0.045 nan 4.420 nan 0.000 0.266 234 P C 1.174 178.509 177.300 0.059 0.000 1.186 234 P CA 1.570 64.717 63.100 0.078 0.000 0.767 234 P CB -0.240 31.503 31.700 0.072 0.000 0.820 235 G N 1.099 109.937 108.800 0.064 0.000 2.199 235 G HA2 -0.257 3.704 3.960 0.001 0.000 0.254 235 G HA3 -0.257 3.704 3.960 0.001 0.000 0.254 235 G C 0.368 175.297 174.900 0.048 0.000 0.982 235 G CA 0.128 45.255 45.100 0.044 0.000 0.632 235 G HN 0.607 nan 8.290 nan 0.000 0.529 236 S N 0.813 116.555 115.700 0.071 0.000 2.552 236 S HA 0.514 4.984 4.470 0.001 0.000 0.289 236 S C 1.022 175.712 174.600 0.150 0.000 1.304 236 S CA 0.599 58.850 58.200 0.085 0.000 1.063 236 S CB 1.360 64.593 63.200 0.055 0.000 0.848 236 S HN 1.325 nan 8.310 nan 0.000 0.499 237 G N 1.907 110.777 108.800 0.117 0.000 3.252 237 G HA2 0.269 4.230 3.960 0.001 0.000 0.181 237 G HA3 0.269 4.230 3.960 0.001 0.000 0.181 237 G C 0.491 175.447 174.900 0.094 0.000 1.187 237 G CA -0.507 44.638 45.100 0.074 0.000 0.886 237 G HN 0.523 nan 8.290 nan 0.000 0.615 238 N N 0.351 119.040 118.700 -0.018 0.000 2.120 238 N HA -0.110 4.631 4.740 0.001 0.000 0.188 238 N C 2.372 177.899 175.510 0.028 0.000 1.024 238 N CA 1.537 54.565 53.050 -0.037 0.000 0.852 238 N CB -0.528 37.915 38.487 -0.073 0.000 1.003 238 N HN 0.466 nan 8.380 nan 0.000 0.424 239 A N 0.874 123.703 122.820 0.016 0.000 1.877 239 A HA -0.001 4.320 4.320 0.001 0.000 0.216 239 A C 2.356 179.960 177.584 0.033 0.000 1.186 239 A CA 2.069 54.114 52.037 0.014 0.000 0.620 239 A CB -0.944 18.045 19.000 -0.019 0.000 0.822 239 A HN 0.323 nan 8.150 nan 0.000 0.443 240 A N -1.644 121.191 122.820 0.025 0.000 1.902 240 A HA -0.071 4.250 4.320 0.001 0.000 0.217 240 A C 2.108 179.677 177.584 -0.025 0.000 1.181 240 A CA 1.561 53.591 52.037 -0.012 0.000 0.623 240 A CB -0.799 18.165 19.000 -0.060 0.000 0.818 240 A HN 0.577 nan 8.150 nan 0.000 0.443 241 Y N -0.005 120.275 120.300 -0.033 0.000 2.181 241 Y HA -0.110 4.441 4.550 0.001 0.000 0.288 241 Y C 2.214 178.099 175.900 -0.026 0.000 1.146 241 Y CA 1.663 59.732 58.100 -0.052 0.000 1.164 241 Y CB -0.244 38.128 38.460 -0.146 0.000 0.982 241 Y HN 0.182 nan 8.280 nan 0.000 0.515 242 L N -1.486 119.808 121.223 0.118 0.000 2.156 242 L HA -0.213 4.128 4.340 0.001 0.000 0.208 242 L C 2.248 179.170 176.870 0.087 0.000 1.095 242 L CA 1.348 56.236 54.840 0.080 0.000 0.770 242 L CB -0.537 41.556 42.059 0.057 0.000 0.914 242 L HN 0.268 nan 8.230 nan 0.000 0.439 243 H N 0.225 119.291 119.070 -0.007 0.000 2.353 243 H HA -0.109 4.447 4.556 0.001 0.000 0.300 243 H C 2.170 177.481 175.328 -0.027 0.000 1.090 243 H CA 1.510 57.547 56.048 -0.020 0.000 1.327 243 H CB 0.152 29.893 29.762 -0.034 0.000 1.383 243 H HN 0.266 nan 8.280 nan 0.000 0.508 244 A N 0.451 123.273 122.820 0.003 0.000 1.933 244 A HA -0.152 4.169 4.320 0.001 0.000 0.218 244 A C 2.288 179.848 177.584 -0.041 0.000 1.175 244 A CA 1.641 53.639 52.037 -0.065 0.000 0.628 244 A CB -0.430 18.506 19.000 -0.106 0.000 0.814 244 A HN 0.383 nan 8.150 nan 0.000 0.444 245 M N 0.018 119.626 119.600 0.012 0.000 2.086 245 M HA -0.125 4.356 4.480 0.001 0.000 0.261 245 M C 1.393 177.695 176.300 0.004 0.000 1.067 245 M CA 1.542 56.871 55.300 0.048 0.000 1.116 245 M CB -1.449 31.202 32.600 0.085 0.000 1.348 245 M HN 0.335 nan 8.290 nan 0.000 0.407 246 D N -0.253 120.125 120.400 -0.036 0.000 2.183 246 D HA -0.101 4.539 4.640 0.001 0.000 0.203 246 D C 2.228 178.461 176.300 -0.112 0.000 0.969 246 D CA 0.924 54.889 54.000 -0.058 0.000 0.842 246 D CB -0.053 40.716 40.800 -0.053 0.000 0.957 246 D HN 0.378 nan 8.370 nan 0.000 0.484 247 Q N -0.275 119.403 119.800 -0.204 0.000 2.297 247 Q HA 0.087 4.428 4.340 0.001 0.000 0.203 247 Q C 2.014 177.944 176.000 -0.118 0.000 0.931 247 Q CA 0.436 56.112 55.803 -0.213 0.000 0.885 247 Q CB 0.870 29.376 28.738 -0.386 0.000 0.991 247 Q HN 0.215 nan 8.270 nan 0.000 0.498 248 V N -0.853 119.007 119.914 -0.089 0.000 2.948 248 V HA -0.006 4.115 4.120 0.001 0.000 0.234 248 V C 2.143 178.226 176.094 -0.019 0.000 1.205 248 V CA 0.427 62.696 62.300 -0.051 0.000 1.234 248 V CB 0.004 31.796 31.823 -0.052 0.000 1.020 248 V HN -0.071 nan 8.190 nan 0.000 0.491 249 V N 0.366 120.281 119.914 0.002 0.000 2.270 249 V HA -0.189 3.932 4.120 0.001 0.000 0.245 249 V C 2.414 178.532 176.094 0.040 0.000 1.043 249 V CA 1.791 64.113 62.300 0.037 0.000 1.014 249 V CB -0.517 31.358 31.823 0.087 0.000 0.645 249 V HN 0.334 nan 8.190 nan 0.000 0.447 250 L N -0.215 121.032 121.223 0.040 0.000 2.005 250 L HA -0.026 4.314 4.340 0.001 0.000 0.207 250 L C 0.177 177.066 176.870 0.032 0.000 1.072 250 L CA 2.193 57.060 54.840 0.044 0.000 0.744 250 L CB -2.603 39.482 42.059 0.044 0.000 0.895 250 L HN 0.284 nan 8.230 nan 0.000 0.433 251 P HA -0.191 nan 4.420 nan 0.000 0.216 251 P C 1.645 178.960 177.300 0.024 0.000 1.153 251 P CA 2.090 65.197 63.100 0.011 0.000 0.858 251 P CB -0.041 31.653 31.700 -0.009 0.000 0.789 252 A N -0.630 122.201 122.820 0.019 0.000 1.865 252 A HA -0.198 4.123 4.320 0.001 0.000 0.217 252 A C 2.256 179.885 177.584 0.075 0.000 1.191 252 A CA 1.705 53.758 52.037 0.028 0.000 0.623 252 A CB -1.720 17.278 19.000 -0.003 0.000 0.826 252 A HN 0.113 nan 8.150 nan 0.000 0.444 253 L N -1.089 120.175 121.223 0.068 0.000 2.042 253 L HA -0.223 4.118 4.340 0.001 0.000 0.210 253 L C 2.887 179.824 176.870 0.112 0.000 1.076 253 L CA 1.654 56.555 54.840 0.101 0.000 0.749 253 L CB -0.496 41.605 42.059 0.070 0.000 0.893 253 L HN 0.362 nan 8.230 nan 0.000 0.432 254 R N -0.198 120.347 120.500 0.076 0.000 2.092 254 R HA -0.081 4.260 4.340 0.001 0.000 0.231 254 R C 2.445 178.783 176.300 0.064 0.000 1.119 254 R CA 1.181 57.316 56.100 0.058 0.000 0.970 254 R CB -0.455 29.869 30.300 0.040 0.000 0.864 254 R HN 0.349 nan 8.270 nan 0.000 0.440 255 A N 0.385 123.253 122.820 0.081 0.000 1.933 255 A HA -0.205 4.116 4.320 0.001 0.000 0.218 255 A C 1.922 179.590 177.584 0.140 0.000 1.175 255 A CA 1.102 53.193 52.037 0.090 0.000 0.628 255 A CB -0.548 18.500 19.000 0.080 0.000 0.814 255 A HN 0.420 nan 8.150 nan 0.000 0.444 256 Y N -0.555 119.769 120.300 0.040 0.000 2.337 256 Y HA 0.062 4.613 4.550 0.002 0.000 0.293 256 Y C 0.412 176.320 175.900 0.013 0.000 1.123 256 Y CA 0.922 59.055 58.100 0.056 0.000 1.201 256 Y CB 0.299 38.797 38.460 0.063 0.000 1.011 256 Y HN 0.327 nan 8.280 nan 0.000 0.545 257 R N 0.258 120.737 120.500 -0.036 0.000 3.146 257 R HA -0.144 4.197 4.340 0.001 0.000 0.250 257 R C -2.839 173.331 176.300 -0.218 0.000 0.912 257 R CA 0.588 56.620 56.100 -0.114 0.000 0.633 257 R CB -2.536 27.692 30.300 -0.121 0.000 1.180 257 R HN 0.346 nan 8.270 nan 0.000 0.464 258 P HA 0.106 nan 4.420 nan 0.000 0.274 258 P C 0.273 177.542 177.300 -0.052 0.000 1.231 258 P CA -0.195 62.885 63.100 -0.034 0.000 0.790 258 P CB 0.676 32.467 31.700 0.151 0.000 0.951 259 Q N 0.017 119.779 119.800 -0.062 0.000 2.398 259 Q HA 0.218 4.559 4.340 0.001 0.000 0.204 259 Q C 0.129 176.113 176.000 -0.026 0.000 0.932 259 Q CA 0.722 56.497 55.803 -0.047 0.000 0.916 259 Q CB -0.040 28.664 28.738 -0.056 0.000 1.024 259 Q HN 0.303 nan 8.270 nan 0.000 0.504 260 L N -0.491 120.718 121.223 -0.024 0.000 2.482 260 L HA 0.507 4.847 4.340 0.001 0.000 0.263 260 L C -1.799 175.047 176.870 -0.039 0.000 0.957 260 L CA -0.632 54.192 54.840 -0.026 0.000 0.836 260 L CB 1.712 43.753 42.059 -0.029 0.000 1.324 260 L HN -0.079 nan 8.230 nan 0.000 0.406 261 I N 5.708 126.244 120.570 -0.058 0.000 2.362 261 I HA 0.449 4.620 4.170 0.001 0.000 0.289 261 I C -0.617 175.395 176.117 -0.175 0.000 0.994 261 I CA -0.354 60.884 61.300 -0.104 0.000 1.158 261 I CB 1.486 39.430 38.000 -0.094 0.000 1.315 261 I HN 0.486 nan 8.210 nan 0.000 0.451 262 I N 6.941 127.390 120.570 -0.203 0.000 2.354 262 I HA 0.344 4.515 4.170 0.001 0.000 0.292 262 I C -0.494 175.402 176.117 -0.369 0.000 0.989 262 I CA -0.813 60.334 61.300 -0.256 0.000 1.188 262 I CB 1.865 39.759 38.000 -0.176 0.000 1.342 262 I HN 0.172 nan 8.210 nan 0.000 0.457 263 V N 5.160 124.734 119.914 -0.566 0.000 2.370 263 V HA 0.398 4.519 4.120 0.001 0.000 0.283 263 V C 0.727 176.456 176.094 -0.608 0.000 1.023 263 V CA -0.609 61.247 62.300 -0.740 0.000 0.857 263 V CB 1.463 32.518 31.823 -1.280 0.000 0.985 263 V HN 0.909 nan 8.190 nan 0.000 0.443 264 G N 2.514 111.007 108.800 -0.513 0.000 2.621 264 G HA2 0.283 4.243 3.960 0.001 0.000 0.306 264 G HA3 0.283 4.243 3.960 0.001 0.000 0.306 264 G C 0.236 174.788 174.900 -0.579 0.000 0.893 264 G CA -0.076 44.776 45.100 -0.414 0.000 1.486 264 G HN 0.646 nan 8.290 nan 0.000 0.477 265 S N 2.326 117.700 115.700 -0.544 0.000 2.592 265 S HA 0.575 5.046 4.470 0.001 0.000 0.305 265 S C 0.864 175.167 174.600 -0.495 0.000 1.118 265 S CA -0.350 57.513 58.200 -0.562 0.000 1.075 265 S CB -0.160 62.964 63.200 -0.127 0.000 1.107 265 S HN 0.731 nan 8.310 nan 0.000 0.503 266 G N 2.394 110.965 108.800 -0.382 0.000 2.437 266 G HA2 0.604 4.565 3.960 0.001 0.000 0.319 266 G HA3 0.604 4.565 3.960 0.001 0.000 0.319 266 G C -0.403 174.175 174.900 -0.538 0.000 1.158 266 G CA -0.700 44.183 45.100 -0.363 0.000 0.899 266 G HN 0.702 nan 8.290 nan 0.000 0.502 267 F N -0.233 119.673 119.950 -0.074 0.000 2.764 267 F HA 0.169 4.697 4.527 0.001 0.000 0.310 267 F C 1.068 176.881 175.800 0.022 0.000 1.124 267 F CA -0.617 57.197 58.000 -0.310 0.000 1.252 267 F CB 1.030 39.659 39.000 -0.618 0.000 1.010 267 F HN 0.430 nan 8.300 nan 0.000 0.518 268 D N 0.108 120.642 120.400 0.224 0.000 2.349 268 D HA -0.004 4.637 4.640 0.001 0.000 0.224 268 D C 1.732 178.200 176.300 0.281 0.000 1.029 268 D CA 0.412 54.590 54.000 0.297 0.000 0.879 268 D CB -0.212 40.851 40.800 0.440 0.000 0.906 268 D HN 0.213 nan 8.370 nan 0.000 0.528 269 A N 0.465 123.475 122.820 0.316 0.000 2.238 269 A HA 0.144 4.465 4.320 0.001 0.000 0.208 269 A C 1.291 178.987 177.584 0.187 0.000 1.177 269 A CA 0.072 52.224 52.037 0.193 0.000 0.804 269 A CB -0.537 18.436 19.000 -0.045 0.000 0.823 269 A HN 0.283 nan 8.150 nan 0.000 0.482 270 S N -1.358 114.570 115.700 0.379 0.000 2.584 270 S HA 0.188 4.659 4.470 0.001 0.000 0.270 270 S C 1.046 175.785 174.600 0.232 0.000 1.346 270 S CA 0.305 58.738 58.200 0.389 0.000 1.018 270 S CB 0.352 63.865 63.200 0.522 0.000 0.899 270 S HN 0.340 nan 8.310 nan 0.000 0.542 271 M N 1.929 121.634 119.600 0.175 0.000 2.255 271 M HA 0.015 4.496 4.480 0.001 0.000 0.259 271 M C 0.975 177.302 176.300 0.045 0.000 1.071 271 M CA 1.776 57.105 55.300 0.048 0.000 1.074 271 M CB -0.639 31.924 32.600 -0.061 0.000 1.384 271 M HN 0.776 nan 8.290 nan 0.000 0.415 272 L N -1.214 120.069 121.223 0.101 0.000 2.857 272 L HA 0.234 4.575 4.340 0.001 0.000 0.249 272 L C 0.210 177.185 176.870 0.174 0.000 1.172 272 L CA -0.441 54.455 54.840 0.094 0.000 0.980 272 L CB -0.217 41.852 42.059 0.016 0.000 1.299 272 L HN 0.071 nan 8.230 nan 0.000 0.535 273 D N 1.973 122.499 120.400 0.209 0.000 2.350 273 D HA 0.098 4.739 4.640 0.001 0.000 0.249 273 D C -1.441 174.994 176.300 0.225 0.000 1.119 273 D CA -1.291 52.862 54.000 0.254 0.000 0.886 273 D CB 2.181 43.163 40.800 0.304 0.000 1.195 273 D HN -0.022 nan 8.370 nan 0.000 0.437 274 P HA -0.008 nan 4.420 nan 0.000 0.224 274 P C 1.363 178.764 177.300 0.168 0.000 1.157 274 P CA 0.403 63.606 63.100 0.171 0.000 0.799 274 P CB 0.513 32.301 31.700 0.147 0.000 0.809 275 L N -1.426 119.939 121.223 0.237 0.000 2.629 275 L HA 0.386 4.727 4.340 0.001 0.000 0.230 275 L C 0.935 178.014 176.870 0.348 0.000 1.151 275 L CA -0.224 54.762 54.840 0.244 0.000 0.924 275 L CB -0.129 42.009 42.059 0.131 0.000 1.137 275 L HN -0.023 nan 8.230 nan 0.000 0.457 276 A N -0.684 122.287 122.820 0.251 0.000 2.536 276 A HA 0.661 4.982 4.320 0.001 0.000 0.293 276 A C -0.424 177.253 177.584 0.153 0.000 1.119 276 A CA -0.663 51.488 52.037 0.190 0.000 0.654 276 A CB 1.018 20.093 19.000 0.125 0.000 1.291 276 A HN 0.030 nan 8.150 nan 0.000 0.439 277 R N -0.117 120.463 120.500 0.132 0.000 2.613 277 R HA 0.285 4.626 4.340 0.001 0.000 0.361 277 R C -0.390 175.971 176.300 0.101 0.000 1.072 277 R CA -0.148 56.015 56.100 0.106 0.000 1.089 277 R CB 0.186 30.541 30.300 0.092 0.000 1.343 277 R HN 0.663 nan 8.270 nan 0.000 0.571 278 M N 0.001 119.673 119.600 0.119 0.000 2.371 278 M HA 0.412 4.893 4.480 0.001 0.000 0.301 278 M C 0.963 177.303 176.300 0.068 0.000 1.173 278 M CA -0.252 55.120 55.300 0.120 0.000 1.020 278 M CB 0.764 33.469 32.600 0.176 0.000 1.490 278 M HN -0.069 nan 8.290 nan 0.000 0.485 279 M N 0.426 120.046 119.600 0.033 0.000 2.705 279 M HA 0.225 4.705 4.480 0.001 0.000 0.387 279 M C -0.649 175.605 176.300 -0.077 0.000 1.204 279 M CA -0.196 55.096 55.300 -0.014 0.000 0.905 279 M CB 0.486 33.075 32.600 -0.019 0.000 1.394 279 M HN 0.212 nan 8.290 nan 0.000 0.515 280 V N 1.764 121.574 119.914 -0.172 0.000 2.572 280 V HA 0.150 4.271 4.120 0.001 0.000 0.291 280 V C 0.918 176.899 176.094 -0.189 0.000 1.039 280 V CA 0.001 62.062 62.300 -0.398 0.000 1.055 280 V CB 0.561 31.787 31.823 -0.995 0.000 0.969 280 V HN 0.544 nan 8.190 nan 0.000 0.482 281 T N 1.965 116.431 114.554 -0.146 0.000 2.923 281 T HA 0.634 4.984 4.350 0.001 0.000 0.281 281 T C 1.306 176.093 174.700 0.145 0.000 0.995 281 T CA -0.112 62.062 62.100 0.123 0.000 0.985 281 T CB 1.758 70.664 68.868 0.064 0.000 1.114 281 T HN 0.716 nan 8.240 nan 0.000 0.548 282 A N 0.410 123.390 122.820 0.266 0.000 1.948 282 A HA -0.151 4.169 4.320 0.001 0.000 0.220 282 A C 1.965 179.630 177.584 0.135 0.000 1.177 282 A CA 2.416 54.541 52.037 0.146 0.000 0.636 282 A CB -1.445 17.588 19.000 0.054 0.000 0.815 282 A HN 1.013 nan 8.150 nan 0.000 0.449 283 D N -1.010 119.470 120.400 0.133 0.000 2.178 283 D HA -0.011 4.630 4.640 0.001 0.000 0.201 283 D C 1.960 178.267 176.300 0.012 0.000 0.980 283 D CA 1.517 55.575 54.000 0.097 0.000 0.842 283 D CB -0.399 40.493 40.800 0.153 0.000 0.948 283 D HN 0.316 nan 8.370 nan 0.000 0.472 284 G N -0.666 108.085 108.800 -0.081 0.000 2.433 284 G HA2 -0.255 3.706 3.960 0.001 0.000 0.216 284 G HA3 -0.255 3.706 3.960 0.001 0.000 0.216 284 G C 1.353 176.084 174.900 -0.281 0.000 1.186 284 G CA 0.532 45.495 45.100 -0.228 0.000 0.779 284 G HN 0.257 nan 8.290 nan 0.000 0.543 285 F N 0.791 120.650 119.950 -0.151 0.000 2.171 285 F HA 0.042 4.569 4.527 0.001 0.000 0.300 285 F C 2.685 178.427 175.800 -0.096 0.000 1.090 285 F CA 1.297 59.181 58.000 -0.193 0.000 1.293 285 F CB -0.351 38.614 39.000 -0.059 0.000 1.013 285 F HN 0.038 nan 8.300 nan 0.000 0.486 286 R N 0.493 121.071 120.500 0.131 0.000 2.083 286 R HA -0.206 4.135 4.340 0.001 0.000 0.237 286 R C 2.097 178.446 176.300 0.082 0.000 1.137 286 R CA 1.871 58.030 56.100 0.098 0.000 0.951 286 R CB -0.305 30.037 30.300 0.069 0.000 0.851 286 R HN 0.354 nan 8.270 nan 0.000 0.434 287 Q N -0.323 119.501 119.800 0.039 0.000 2.119 287 Q HA -0.142 4.199 4.340 0.001 0.000 0.201 287 Q C 2.204 178.231 176.000 0.046 0.000 0.972 287 Q CA 1.802 57.628 55.803 0.038 0.000 0.847 287 Q CB -0.036 28.709 28.738 0.013 0.000 0.903 287 Q HN 0.404 nan 8.270 nan 0.000 0.433 288 M N -0.013 119.569 119.600 -0.030 0.000 2.086 288 M HA -0.157 4.324 4.480 0.001 0.000 0.261 288 M C 2.359 178.766 176.300 0.177 0.000 1.067 288 M CA 1.552 56.808 55.300 -0.073 0.000 1.116 288 M CB -0.281 32.000 32.600 -0.532 0.000 1.348 288 M HN 0.246 nan 8.290 nan 0.000 0.407 289 A N 0.251 123.241 122.820 0.283 0.000 1.877 289 A HA -0.199 4.122 4.320 0.001 0.000 0.216 289 A C 2.073 179.909 177.584 0.420 0.000 1.186 289 A CA 1.992 54.392 52.037 0.604 0.000 0.620 289 A CB -0.650 18.635 19.000 0.475 0.000 0.822 289 A HN 0.388 nan 8.150 nan 0.000 0.443 290 R N 0.006 120.656 120.500 0.251 0.000 2.096 290 R HA -0.148 4.193 4.340 0.001 0.000 0.240 290 R C 2.250 178.661 176.300 0.186 0.000 1.139 290 R CA 2.192 58.403 56.100 0.186 0.000 0.952 290 R CB -0.485 29.888 30.300 0.122 0.000 0.854 290 R HN 0.544 nan 8.270 nan 0.000 0.436 291 R N -1.079 119.527 120.500 0.178 0.000 2.081 291 R HA -0.065 4.275 4.340 0.001 0.000 0.235 291 R C 2.202 178.613 176.300 0.185 0.000 1.131 291 R CA 2.067 58.260 56.100 0.156 0.000 0.960 291 R CB -0.355 30.026 30.300 0.136 0.000 0.856 291 R HN 0.328 nan 8.270 nan 0.000 0.436 292 T N 0.845 115.559 114.554 0.267 0.000 2.812 292 T HA -0.005 4.346 4.350 0.001 0.000 0.264 292 T C 1.881 176.705 174.700 0.208 0.000 1.042 292 T CA 0.934 63.182 62.100 0.246 0.000 1.140 292 T CB -0.082 68.982 68.868 0.326 0.000 0.870 292 T HN 0.116 nan 8.240 nan 0.000 0.445 293 I N 1.577 122.315 120.570 0.281 0.000 2.226 293 I HA -0.168 4.003 4.170 0.001 0.000 0.245 293 I C 2.252 178.464 176.117 0.158 0.000 1.100 293 I CA 1.151 62.595 61.300 0.241 0.000 1.374 293 I CB -0.359 37.809 38.000 0.280 0.000 1.057 293 I HN 0.106 nan 8.210 nan 0.000 0.413 294 D N 0.125 120.611 120.400 0.143 0.000 2.117 294 D HA -0.192 4.449 4.640 0.001 0.000 0.198 294 D C 2.217 178.569 176.300 0.088 0.000 0.982 294 D CA 1.117 55.179 54.000 0.104 0.000 0.828 294 D CB -0.639 40.217 40.800 0.093 0.000 0.967 294 D HN 0.385 nan 8.370 nan 0.000 0.464 295 C N 1.191 120.548 119.300 0.094 0.000 2.398 295 C HA -0.129 4.332 4.460 0.001 0.000 0.276 295 C C 2.901 177.930 174.990 0.065 0.000 1.222 295 C CA 1.577 60.641 59.018 0.076 0.000 1.746 295 C CB -1.065 26.723 27.740 0.081 0.000 2.039 295 C HN 0.350 nan 8.230 nan 0.000 0.470 296 A N 0.224 123.087 122.820 0.071 0.000 1.902 296 A HA 0.087 4.408 4.320 0.001 0.000 0.217 296 A C 2.486 180.102 177.584 0.054 0.000 1.181 296 A CA 2.323 54.394 52.037 0.056 0.000 0.623 296 A CB -1.182 17.855 19.000 0.061 0.000 0.818 296 A HN 0.882 nan 8.150 nan 0.000 0.443 297 A N -0.225 122.635 122.820 0.066 0.000 1.883 297 A HA -0.258 4.063 4.320 0.001 0.000 0.217 297 A C 1.942 179.552 177.584 0.044 0.000 1.186 297 A CA 1.925 53.996 52.037 0.057 0.000 0.624 297 A CB -0.700 18.338 19.000 0.063 0.000 0.822 297 A HN 0.538 nan 8.150 nan 0.000 0.444 298 D N -0.369 120.057 120.400 0.044 0.000 2.097 298 D HA -0.125 4.516 4.640 0.001 0.000 0.195 298 D C 1.875 178.192 176.300 0.027 0.000 0.989 298 D CA 2.016 56.036 54.000 0.035 0.000 0.827 298 D CB -0.064 40.758 40.800 0.037 0.000 0.966 298 D HN 0.699 nan 8.370 nan 0.000 0.456 299 I N -1.990 118.597 120.570 0.028 0.000 4.139 299 I HA 0.130 4.301 4.170 0.001 0.000 0.320 299 I C 0.928 177.051 176.117 0.009 0.000 1.290 299 I CA -0.050 61.261 61.300 0.018 0.000 1.253 299 I CB 0.609 38.623 38.000 0.023 0.000 1.122 299 I HN -0.014 nan 8.210 nan 0.000 0.421 300 C N -0.231 119.078 119.300 0.015 0.000 3.151 300 C HA 0.490 4.951 4.460 0.001 0.000 0.249 300 C C 0.024 175.023 174.990 0.016 0.000 2.249 300 C CA -0.856 58.166 59.018 0.007 0.000 1.517 300 C CB -1.008 26.733 27.740 0.002 0.000 2.989 300 C HN 0.522 nan 8.230 nan 0.000 0.476 301 D N 1.128 121.540 120.400 0.020 0.000 2.911 301 D HA -0.166 4.475 4.640 0.001 0.000 0.227 301 D C 1.453 177.775 176.300 0.036 0.000 1.164 301 D CA 2.182 56.197 54.000 0.025 0.000 0.782 301 D CB -1.486 39.325 40.800 0.019 0.000 1.094 301 D HN 1.721 nan 8.370 nan 0.000 0.425 302 G N -0.098 108.728 108.800 0.044 0.000 2.162 302 G HA2 -0.417 3.544 3.960 0.001 0.000 0.260 302 G HA3 -0.417 3.544 3.960 0.001 0.000 0.260 302 G C 0.370 175.309 174.900 0.064 0.000 0.976 302 G CA 0.422 45.558 45.100 0.061 0.000 0.655 302 G HN 0.457 nan 8.290 nan 0.000 0.533 303 R N 0.208 120.734 120.500 0.044 0.000 2.357 303 R HA 0.602 4.942 4.340 0.001 0.000 0.330 303 R C 0.157 176.471 176.300 0.024 0.000 1.102 303 R CA 0.287 56.409 56.100 0.037 0.000 0.974 303 R CB 0.045 30.357 30.300 0.021 0.000 1.002 303 R HN 0.481 nan 8.270 nan 0.000 0.463 304 I N 2.707 123.303 120.570 0.045 0.000 2.607 304 I HA 0.343 4.514 4.170 0.001 0.000 0.290 304 I C -1.399 174.742 176.117 0.041 0.000 1.129 304 I CA -0.938 60.365 61.300 0.005 0.000 1.042 304 I CB 1.846 39.871 38.000 0.041 0.000 1.242 304 I HN 0.174 nan 8.210 nan 0.000 0.421 305 V N 7.875 127.741 119.914 -0.081 0.000 2.443 305 V HA 0.425 4.546 4.120 0.001 0.000 0.293 305 V C -0.685 175.291 176.094 -0.196 0.000 1.021 305 V CA -0.431 61.849 62.300 -0.033 0.000 0.848 305 V CB 1.426 33.222 31.823 -0.045 0.000 0.998 305 V HN 0.447 nan 8.190 nan 0.000 0.424 306 F N 3.839 123.669 119.950 -0.201 0.000 2.394 306 F HA 0.649 5.177 4.527 0.001 0.000 0.340 306 F C 0.244 175.674 175.800 -0.617 0.000 1.105 306 F CA -0.529 57.198 58.000 -0.456 0.000 1.124 306 F CB 1.714 40.376 39.000 -0.563 0.000 1.145 306 F HN 0.172 nan 8.300 nan 0.000 0.505 307 V N 2.900 122.567 119.914 -0.412 0.000 2.525 307 V HA 0.266 4.386 4.120 0.001 0.000 0.299 307 V C -0.430 175.493 176.094 -0.285 0.000 1.034 307 V CA -1.066 61.040 62.300 -0.324 0.000 0.863 307 V CB 1.542 33.242 31.823 -0.206 0.000 0.999 307 V HN 0.614 nan 8.190 nan 0.000 0.423 308 Q N 3.904 123.605 119.800 -0.166 0.000 2.300 308 Q HA 0.174 4.515 4.340 0.001 0.000 0.280 308 Q C 0.245 176.189 176.000 -0.093 0.000 1.033 308 Q CA 0.967 56.768 55.803 -0.002 0.000 0.903 308 Q CB 0.687 29.551 28.738 0.209 0.000 1.195 308 Q HN 0.745 nan 8.270 nan 0.000 0.386 309 E N 2.114 122.224 120.200 -0.150 0.000 3.834 309 E HA 0.438 4.789 4.350 0.001 0.000 0.318 309 E C 0.232 176.775 176.600 -0.095 0.000 0.680 309 E CA -0.088 56.198 56.400 -0.190 0.000 1.860 309 E CB -0.611 28.839 29.700 -0.416 0.000 2.061 309 E HN 0.715 nan 8.360 nan 0.000 0.447 310 G N -1.019 107.730 108.800 -0.084 0.000 2.508 310 G HA2 0.479 4.440 3.960 0.001 0.000 0.278 310 G HA3 0.479 4.440 3.960 0.001 0.000 0.278 310 G C -0.174 174.585 174.900 -0.235 0.000 1.389 310 G CA 0.129 45.199 45.100 -0.050 0.000 1.050 310 G HN 0.550 nan 8.290 nan 0.000 0.522 311 G N -3.022 105.391 108.800 -0.644 0.000 2.957 311 G HA2 0.196 4.157 3.960 0.001 0.000 0.636 311 G HA3 0.196 4.157 3.960 0.001 0.000 0.636 311 G C -0.807 173.621 174.900 -0.786 0.000 1.401 311 G CA -0.402 44.448 45.100 -0.417 0.000 0.941 311 G HN 0.735 nan 8.290 nan 0.000 0.610 312 Y N 0.945 121.369 120.300 0.206 0.000 2.610 312 Y HA 0.488 5.039 4.550 0.002 0.000 0.254 312 Y C 1.480 177.454 175.900 0.123 0.000 1.110 312 Y CA -0.016 58.187 58.100 0.173 0.000 1.238 312 Y CB 1.323 39.901 38.460 0.198 0.000 1.322 312 Y HN 0.638 nan 8.280 nan 0.000 0.547 313 S N 4.069 119.875 115.700 0.177 0.000 2.409 313 S HA 0.184 4.655 4.470 0.001 0.000 0.308 313 S C -1.520 173.078 174.600 -0.004 0.000 1.080 313 S CA -1.579 56.696 58.200 0.125 0.000 1.081 313 S CB 0.663 63.983 63.200 0.200 0.000 1.009 313 S HN 0.052 nan 8.310 nan 0.000 0.502 314 P HA -0.123 nan 4.420 nan 0.000 0.222 314 P C 0.833 178.018 177.300 -0.193 0.000 1.147 314 P CA 1.103 64.083 63.100 -0.201 0.000 0.790 314 P CB -0.014 31.505 31.700 -0.302 0.000 0.780 315 H N -1.990 117.135 119.070 0.093 0.000 2.333 315 H HA -0.064 4.492 4.556 0.001 0.000 0.302 315 H C 1.733 177.170 175.328 0.182 0.000 1.075 315 H CA 1.257 57.389 56.048 0.141 0.000 1.348 315 H CB -0.780 29.036 29.762 0.090 0.000 1.393 315 H HN 0.180 nan 8.280 nan 0.000 0.509 316 Y N 0.641 120.946 120.300 0.009 0.000 2.558 316 Y HA 0.132 4.682 4.550 0.001 0.000 0.273 316 Y C 2.418 178.291 175.900 -0.046 0.000 1.100 316 Y CA -0.197 57.854 58.100 -0.081 0.000 1.276 316 Y CB -0.305 38.014 38.460 -0.234 0.000 1.196 316 Y HN -0.010 nan 8.280 nan 0.000 0.527 317 L N 1.174 122.314 121.223 -0.138 0.000 2.051 317 L HA -0.172 4.169 4.340 0.001 0.000 0.214 317 L C -0.908 175.571 176.870 -0.650 0.000 1.076 317 L CA 1.900 56.518 54.840 -0.370 0.000 0.758 317 L CB -1.222 40.732 42.059 -0.175 0.000 0.890 317 L HN 0.064 nan 8.230 nan 0.000 0.433 318 P HA -0.198 nan 4.420 nan 0.000 0.216 318 P C 1.252 178.040 177.300 -0.853 0.000 1.153 318 P CA 1.781 64.508 63.100 -0.621 0.000 0.858 318 P CB -0.132 31.252 31.700 -0.526 0.000 0.789 319 F N -1.597 118.073 119.950 -0.467 0.000 2.259 319 F HA -0.119 4.409 4.527 0.001 0.000 0.298 319 F C 2.433 177.849 175.800 -0.640 0.000 1.088 319 F CA 0.716 58.455 58.000 -0.434 0.000 1.358 319 F CB -1.505 37.362 39.000 -0.222 0.000 1.040 319 F HN -0.023 nan 8.300 nan 0.000 0.505 320 C N 0.052 118.860 119.300 -0.821 0.000 2.453 320 C HA -0.057 4.404 4.460 0.001 0.000 0.277 320 C C 3.168 177.314 174.990 -1.407 0.000 1.262 320 C CA 1.214 59.640 59.018 -0.987 0.000 1.718 320 C CB -1.606 25.417 27.740 -1.195 0.000 2.031 320 C HN 0.633 nan 8.230 nan 0.000 0.480 321 G N 0.345 107.939 108.800 -2.010 0.000 2.421 321 G HA2 -0.212 3.749 3.960 0.001 0.000 0.216 321 G HA3 -0.212 3.749 3.960 0.001 0.000 0.216 321 G C 1.524 175.852 174.900 -0.953 0.000 1.171 321 G CA 0.909 44.706 45.100 -2.172 0.000 0.775 321 G HN 0.431 nan 8.290 nan 0.000 0.543 322 L N 1.413 122.229 121.223 -0.679 0.000 2.042 322 L HA 0.042 4.383 4.340 0.001 0.000 0.210 322 L C 3.126 179.880 176.870 -0.193 0.000 1.076 322 L CA 2.117 56.802 54.840 -0.259 0.000 0.749 322 L CB -0.688 41.234 42.059 -0.227 0.000 0.893 322 L HN 0.259 nan 8.230 nan 0.000 0.432 323 A N -1.394 121.295 122.820 -0.217 0.000 1.908 323 A HA -0.166 4.155 4.320 0.001 0.000 0.218 323 A C 2.260 179.806 177.584 -0.063 0.000 1.181 323 A CA 2.051 54.033 52.037 -0.093 0.000 0.627 323 A CB -1.060 17.909 19.000 -0.051 0.000 0.818 323 A HN 0.300 nan 8.150 nan 0.000 0.445 324 V N 0.630 120.491 119.914 -0.088 0.000 2.295 324 V HA -0.242 3.879 4.120 0.001 0.000 0.246 324 V C 2.446 178.485 176.094 -0.091 0.000 1.049 324 V CA 1.678 63.969 62.300 -0.015 0.000 1.024 324 V CB -0.705 31.202 31.823 0.141 0.000 0.648 324 V HN 0.509 nan 8.190 nan 0.000 0.447 325 I N 0.360 120.863 120.570 -0.112 0.000 2.151 325 I HA -0.265 3.906 4.170 0.001 0.000 0.243 325 I C 2.560 178.642 176.117 -0.059 0.000 1.080 325 I CA 1.805 63.053 61.300 -0.087 0.000 1.339 325 I CB -1.304 36.640 38.000 -0.094 0.000 1.039 325 I HN 0.489 nan 8.210 nan 0.000 0.409 326 E N 0.348 120.512 120.200 -0.059 0.000 2.118 326 E HA -0.221 4.130 4.350 0.001 0.000 0.195 326 E C 1.968 178.553 176.600 -0.025 0.000 0.992 326 E CA 0.900 57.271 56.400 -0.048 0.000 0.804 326 E CB -0.035 29.639 29.700 -0.043 0.000 0.741 326 E HN 0.473 nan 8.360 nan 0.000 0.458 327 E N 0.601 120.798 120.200 -0.005 0.000 2.150 327 E HA -0.118 4.232 4.350 0.001 0.000 0.193 327 E C 2.220 178.845 176.600 0.041 0.000 0.985 327 E CA 0.575 56.994 56.400 0.031 0.000 0.814 327 E CB -0.109 29.633 29.700 0.070 0.000 0.752 327 E HN 0.330 nan 8.360 nan 0.000 0.466 328 L N 0.769 122.004 121.223 0.020 0.000 2.027 328 L HA -0.139 4.202 4.340 0.001 0.000 0.206 328 L C 2.692 179.589 176.870 0.045 0.000 1.074 328 L CA 1.825 56.696 54.840 0.052 0.000 0.745 328 L CB -0.680 41.408 42.059 0.049 0.000 0.898 328 L HN 0.210 nan 8.230 nan 0.000 0.433 329 T N -3.673 110.887 114.554 0.010 0.000 3.014 329 T HA 0.074 4.425 4.350 0.001 0.000 0.263 329 T C 1.569 176.240 174.700 -0.048 0.000 1.078 329 T CA 0.605 62.699 62.100 -0.011 0.000 1.135 329 T CB 0.014 68.856 68.868 -0.042 0.000 0.895 329 T HN 0.480 nan 8.240 nan 0.000 0.480 330 G N 0.649 109.424 108.800 -0.042 0.000 2.155 330 G HA2 -0.210 3.751 3.960 0.001 0.000 0.257 330 G HA3 -0.210 3.751 3.960 0.001 0.000 0.257 330 G C 0.036 174.876 174.900 -0.100 0.000 0.983 330 G CA 0.151 45.222 45.100 -0.047 0.000 0.676 330 G HN 0.808 nan 8.290 nan 0.000 0.528 331 V N 0.587 120.401 119.914 -0.166 0.000 2.357 331 V HA 0.552 4.673 4.120 0.001 0.000 0.284 331 V C 0.515 176.527 176.094 -0.136 0.000 1.018 331 V CA -0.652 61.512 62.300 -0.227 0.000 0.841 331 V CB 1.407 32.907 31.823 -0.537 0.000 0.991 331 V HN 0.339 nan 8.190 nan 0.000 0.437 332 R N 3.081 123.529 120.500 -0.087 0.000 2.396 332 R HA 0.352 4.693 4.340 0.001 0.000 0.292 332 R C 0.514 176.792 176.300 -0.038 0.000 1.240 332 R CA -0.072 55.998 56.100 -0.050 0.000 1.270 332 R CB 1.083 31.363 30.300 -0.034 0.000 1.108 332 R HN 0.798 nan 8.270 nan 0.000 0.573 333 S N 1.031 116.713 115.700 -0.030 0.000 2.701 333 S HA 0.212 4.683 4.470 0.001 0.000 0.242 333 S C -0.002 174.599 174.600 0.002 0.000 1.025 333 S CA -0.391 57.799 58.200 -0.016 0.000 1.016 333 S CB 0.359 63.552 63.200 -0.012 0.000 0.977 333 S HN 0.298 nan 8.310 nan 0.000 0.546 334 L N 2.268 123.499 121.223 0.013 0.000 2.464 334 L HA 0.715 5.056 4.340 0.001 0.000 0.266 334 L C -2.905 173.993 176.870 0.046 0.000 0.965 334 L CA -1.513 53.352 54.840 0.042 0.000 0.833 334 L CB 1.506 43.612 42.059 0.079 0.000 1.296 334 L HN -0.071 nan 8.230 nan 0.000 0.405 335 P HA 0.269 nan 4.420 nan 0.000 0.276 335 P C -1.463 175.844 177.300 0.012 0.000 1.252 335 P CA -0.338 62.759 63.100 -0.005 0.000 0.802 335 P CB 0.471 32.143 31.700 -0.046 0.000 1.035 336 D N 1.680 122.089 120.400 0.014 0.000 2.336 336 D HA 0.075 4.716 4.640 0.001 0.000 0.249 336 D C -1.525 174.716 176.300 -0.097 0.000 1.213 336 D CA -2.174 51.821 54.000 -0.008 0.000 0.870 336 D CB 0.462 41.381 40.800 0.198 0.000 1.076 336 D HN 0.144 nan 8.370 nan 0.000 0.483 337 P HA -0.064 nan 4.420 nan 0.000 0.245 337 P C 0.312 177.383 177.300 -0.382 0.000 1.212 337 P CA 0.462 63.341 63.100 -0.368 0.000 0.774 337 P CB -0.048 31.340 31.700 -0.520 0.000 0.999 338 Y N -1.939 118.291 120.300 -0.117 0.000 2.457 338 Y HA 0.082 4.633 4.550 0.001 0.000 0.263 338 Y C 2.596 178.535 175.900 0.065 0.000 1.164 338 Y CA -0.015 58.073 58.100 -0.019 0.000 1.274 338 Y CB -0.751 37.643 38.460 -0.109 0.000 1.097 338 Y HN 0.080 nan 8.280 nan 0.000 0.523 339 H N 0.634 119.769 119.070 0.108 0.000 2.293 339 H HA -0.134 4.423 4.556 0.001 0.000 0.300 339 H C 1.867 177.230 175.328 0.059 0.000 1.082 339 H CA 2.265 58.367 56.048 0.090 0.000 1.308 339 H CB 0.439 30.232 29.762 0.052 0.000 1.375 339 H HN 0.082 nan 8.280 nan 0.000 0.495 340 E N -0.050 120.271 120.200 0.202 0.000 2.107 340 E HA -0.147 4.204 4.350 0.001 0.000 0.191 340 E C 2.121 178.760 176.600 0.064 0.000 0.982 340 E CA 0.601 57.075 56.400 0.124 0.000 0.809 340 E CB -0.557 29.220 29.700 0.127 0.000 0.756 340 E HN 0.489 nan 8.360 nan 0.000 0.459 341 F N 1.705 121.631 119.950 -0.041 0.000 2.091 341 F HA -0.187 4.340 4.527 0.001 0.000 0.299 341 F C 2.026 177.781 175.800 -0.075 0.000 1.103 341 F CA 1.381 59.351 58.000 -0.051 0.000 1.228 341 F CB -0.227 38.751 39.000 -0.037 0.000 0.984 341 F HN -0.086 nan 8.300 nan 0.000 0.477 342 L N -0.626 120.464 121.223 -0.222 0.000 2.209 342 L HA 0.040 4.381 4.340 0.001 0.000 0.207 342 L C 2.731 179.429 176.870 -0.288 0.000 1.094 342 L CA 0.721 55.351 54.840 -0.349 0.000 0.790 342 L CB -1.149 40.759 42.059 -0.252 0.000 0.932 342 L HN 0.189 nan 8.230 nan 0.000 0.447 343 A N 0.847 123.507 122.820 -0.265 0.000 1.940 343 A HA -0.157 4.164 4.320 0.001 0.000 0.219 343 A C 2.347 179.827 177.584 -0.173 0.000 1.176 343 A CA 1.797 53.685 52.037 -0.247 0.000 0.631 343 A CB -1.212 17.625 19.000 -0.271 0.000 0.814 343 A HN 0.429 nan 8.150 nan 0.000 0.446 344 G N -0.971 107.728 108.800 -0.169 0.000 2.498 344 G HA2 -0.119 3.842 3.960 0.001 0.000 0.219 344 G HA3 -0.119 3.842 3.960 0.001 0.000 0.219 344 G C 1.427 176.236 174.900 -0.152 0.000 1.119 344 G CA 0.959 45.976 45.100 -0.138 0.000 0.766 344 G HN 0.525 nan 8.290 nan 0.000 0.552 345 M N 0.124 119.606 119.600 -0.198 0.000 2.558 345 M HA 0.250 4.731 4.480 0.001 0.000 0.255 345 M C 1.454 177.682 176.300 -0.120 0.000 1.113 345 M CA 0.718 55.911 55.300 -0.179 0.000 1.097 345 M CB 0.023 32.483 32.600 -0.233 0.000 1.426 345 M HN 0.337 nan 8.290 nan 0.000 0.488 346 G N -0.386 108.350 108.800 -0.108 0.000 2.548 346 G HA2 0.076 4.037 3.960 0.001 0.000 0.208 346 G HA3 0.076 4.037 3.960 0.001 0.000 0.208 346 G C 0.359 175.216 174.900 -0.071 0.000 1.308 346 G CA -0.496 44.558 45.100 -0.077 0.000 0.924 346 G HN 0.689 nan 8.290 nan 0.000 0.540 347 G N -1.597 107.173 108.800 -0.050 0.000 2.217 347 G HA2 -0.259 3.702 3.960 0.001 0.000 0.246 347 G HA3 -0.259 3.702 3.960 0.001 0.000 0.246 347 G C 0.791 175.671 174.900 -0.033 0.000 0.990 347 G CA 1.147 46.225 45.100 -0.036 0.000 0.627 347 G HN 1.526 nan 8.290 nan 0.000 0.522 348 N N 0.879 119.554 118.700 -0.042 0.000 2.268 348 N HA 0.133 4.874 4.740 0.001 0.000 0.204 348 N C -0.166 175.326 175.510 -0.031 0.000 1.124 348 N CA 0.776 53.805 53.050 -0.036 0.000 0.838 348 N CB 0.677 39.140 38.487 -0.041 0.000 0.994 348 N HN 0.396 nan 8.380 nan 0.000 0.489 349 T N 1.341 115.874 114.554 -0.035 0.000 2.812 349 T HA 0.254 4.605 4.350 0.001 0.000 0.282 349 T C -0.277 174.392 174.700 -0.052 0.000 0.990 349 T CA -0.552 61.524 62.100 -0.040 0.000 0.960 349 T CB 2.121 70.967 68.868 -0.038 0.000 0.948 349 T HN -0.056 nan 8.240 nan 0.000 0.438 350 L N 5.480 126.659 121.223 -0.073 0.000 2.407 350 L HA 0.360 4.700 4.340 0.001 0.000 0.282 350 L C -0.404 176.402 176.870 -0.106 0.000 1.110 350 L CA 0.044 54.816 54.840 -0.114 0.000 0.863 350 L CB -0.414 41.522 42.059 -0.204 0.000 1.207 350 L HN 0.557 nan 8.230 nan 0.000 0.454 351 L N 4.431 125.604 121.223 -0.083 0.000 2.436 351 L HA 0.155 4.496 4.340 0.001 0.000 0.265 351 L C 1.159 177.983 176.870 -0.075 0.000 1.168 351 L CA -0.651 54.150 54.840 -0.065 0.000 0.815 351 L CB 0.395 42.427 42.059 -0.045 0.000 1.109 351 L HN 0.578 nan 8.230 nan 0.000 0.462 352 D N 1.807 122.171 120.400 -0.059 0.000 2.158 352 D HA -0.182 4.458 4.640 0.001 0.000 0.197 352 D C 1.873 178.143 176.300 -0.050 0.000 0.995 352 D CA 1.751 55.717 54.000 -0.056 0.000 0.846 352 D CB 0.102 40.879 40.800 -0.038 0.000 0.941 352 D HN 0.706 nan 8.370 nan 0.000 0.456 353 A N 0.543 123.339 122.820 -0.041 0.000 2.014 353 A HA -0.135 4.186 4.320 0.001 0.000 0.218 353 A C 2.039 179.596 177.584 -0.045 0.000 1.163 353 A CA 1.064 53.080 52.037 -0.035 0.000 0.652 353 A CB -0.274 18.713 19.000 -0.022 0.000 0.808 353 A HN 0.190 nan 8.150 nan 0.000 0.449 354 E N -0.590 119.576 120.200 -0.057 0.000 2.046 354 E HA -0.139 4.212 4.350 0.001 0.000 0.190 354 E C 2.272 178.829 176.600 -0.071 0.000 0.982 354 E CA 0.866 57.224 56.400 -0.069 0.000 0.800 354 E CB -0.187 29.467 29.700 -0.076 0.000 0.756 354 E HN 0.574 nan 8.360 nan 0.000 0.449 355 R N 0.891 121.328 120.500 -0.105 0.000 2.091 355 R HA -0.178 4.163 4.340 0.001 0.000 0.238 355 R C 2.211 178.500 176.300 -0.018 0.000 1.136 355 R CA 1.480 57.516 56.100 -0.106 0.000 0.959 355 R CB -0.217 29.985 30.300 -0.164 0.000 0.856 355 R HN 0.156 nan 8.270 nan 0.000 0.437 356 A N 0.638 123.439 122.820 -0.031 0.000 1.898 356 A HA -0.058 4.263 4.320 0.001 0.000 0.216 356 A C 2.370 179.938 177.584 -0.026 0.000 1.181 356 A CA 1.531 53.556 52.037 -0.020 0.000 0.620 356 A CB -0.733 18.253 19.000 -0.023 0.000 0.819 356 A HN 0.543 nan 8.150 nan 0.000 0.442 357 A N -0.019 122.776 122.820 -0.043 0.000 1.908 357 A HA -0.134 4.187 4.320 0.001 0.000 0.218 357 A C 2.112 179.661 177.584 -0.058 0.000 1.181 357 A CA 1.700 53.697 52.037 -0.067 0.000 0.627 357 A CB -0.614 18.330 19.000 -0.094 0.000 0.818 357 A HN 0.512 nan 8.150 nan 0.000 0.445 358 I N -0.791 119.765 120.570 -0.024 0.000 2.233 358 I HA -0.169 4.002 4.170 0.001 0.000 0.243 358 I C 2.431 178.548 176.117 -0.001 0.000 1.093 358 I CA 1.056 62.355 61.300 -0.002 0.000 1.380 358 I CB -0.340 37.721 38.000 0.101 0.000 1.067 358 I HN 0.221 nan 8.210 nan 0.000 0.413 359 E N 1.027 121.242 120.200 0.025 0.000 2.130 359 E HA -0.259 4.092 4.350 0.001 0.000 0.196 359 E C 1.972 178.567 176.600 -0.009 0.000 0.998 359 E CA 1.224 57.632 56.400 0.015 0.000 0.806 359 E CB -0.264 29.450 29.700 0.024 0.000 0.738 359 E HN 0.546 nan 8.360 nan 0.000 0.459 360 E N -0.152 120.037 120.200 -0.019 0.000 2.219 360 E HA -0.170 4.181 4.350 0.001 0.000 0.198 360 E C 1.737 178.320 176.600 -0.028 0.000 0.998 360 E CA 0.639 57.024 56.400 -0.024 0.000 0.818 360 E CB 0.048 29.727 29.700 -0.034 0.000 0.741 360 E HN 0.255 nan 8.360 nan 0.000 0.477 361 I N 0.180 120.729 120.570 -0.036 0.000 3.462 361 I HA -0.103 4.068 4.170 0.001 0.000 0.290 361 I C 2.566 178.659 176.117 -0.041 0.000 1.236 361 I CA 0.470 61.746 61.300 -0.040 0.000 1.418 361 I CB -1.030 36.940 38.000 -0.050 0.000 1.102 361 I HN 0.022 nan 8.210 nan 0.000 0.441 362 V N 0.980 120.871 119.914 -0.038 0.000 2.380 362 V HA -0.135 3.986 4.120 0.001 0.000 0.251 362 V C -0.251 175.822 176.094 -0.034 0.000 1.063 362 V CA 1.690 63.967 62.300 -0.038 0.000 1.055 362 V CB -2.678 29.125 31.823 -0.035 0.000 0.657 362 V HN 0.216 nan 8.190 nan 0.000 0.455 363 P HA -0.024 nan 4.420 nan 0.000 0.222 363 P C 1.903 179.180 177.300 -0.039 0.000 1.147 363 P CA 1.181 64.264 63.100 -0.027 0.000 0.790 363 P CB -0.226 31.462 31.700 -0.020 0.000 0.780 364 L N -1.636 119.557 121.223 -0.050 0.000 2.362 364 L HA -0.086 4.255 4.340 0.001 0.000 0.219 364 L C 2.151 178.965 176.870 -0.094 0.000 1.134 364 L CA 0.781 55.575 54.840 -0.078 0.000 0.807 364 L CB -0.867 41.139 42.059 -0.088 0.000 0.927 364 L HN 0.019 nan 8.230 nan 0.000 0.447 365 L N 0.021 121.203 121.223 -0.067 0.000 2.141 365 L HA -0.153 4.188 4.340 0.001 0.000 0.209 365 L C 2.954 179.791 176.870 -0.055 0.000 1.094 365 L CA 0.914 55.719 54.840 -0.058 0.000 0.763 365 L CB -0.726 41.311 42.059 -0.037 0.000 0.908 365 L HN 0.245 nan 8.230 nan 0.000 0.437 366 A N 0.128 122.920 122.820 -0.048 0.000 1.927 366 A HA -0.262 4.059 4.320 0.001 0.000 0.220 366 A C 1.751 179.304 177.584 -0.052 0.000 1.185 366 A CA 2.217 54.231 52.037 -0.037 0.000 0.639 366 A CB -0.519 18.464 19.000 -0.028 0.000 0.820 366 A HN 0.395 nan 8.150 nan 0.000 0.451 367 D N -0.607 119.737 120.400 -0.093 0.000 2.349 367 D HA 0.192 4.833 4.640 0.001 0.000 0.224 367 D C 0.731 176.882 176.300 -0.249 0.000 1.029 367 D CA 0.153 54.069 54.000 -0.140 0.000 0.879 367 D CB -0.042 40.663 40.800 -0.159 0.000 0.906 367 D HN 0.502 nan 8.370 nan 0.000 0.528 368 I N 0.000 120.464 120.570 -0.177 0.000 2.984 368 I HA 0.000 4.171 4.170 0.001 0.000 0.288 368 I CA 0.000 61.232 61.300 -0.113 0.000 1.566 368 I CB 0.000 38.004 38.000 0.006 0.000 1.214 368 I HN 0.000 nan 8.210 nan 0.000 0.494