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 2nrb_1_C DATA FIRST_RESID 1 DATA SEQUENCE TKFYTDAVEA VKDIPNGATV LVGGFGLSGI PENLIGALLK TGVKELTAVS DATA SEQUENCE NNAGVDNFGL GLLLQSKQIK RMISSYVGEN AEFERQYLAG ELEVELTPQG DATA SEQUENCE TLAERIRAGG AGVPAFYTST GYGTLVQEGG SPIKYNKDGS IAIASKPREV DATA SEQUENCE REFNGQHFIL EEAIRGDFAL VKAWKADQAG NVTFRKSARN FNLPMCKAAE DATA SEQUENCE TTVVEVEEIV DIGSFAPEDI HIPKIYVHRL VKGEKYEKRI ERLSVRKXXX DATA SEQUENCE XXXXXXXXXX NVRERIIKRA ALEFEDGMYA NLGIGIPLLA SNFISPNMTV DATA SEQUENCE HLQSENGILG LGPYPLQNEV DADLINAGKE TVTVLPGASY FSSDESFAMI DATA SEQUENCE RGGHVNLTML GAMQVSKYGD LANWMIPGKL VKGMGGAMDL VSSAKTKVVV DATA SEQUENCE TMEHSAKGNA HKIMEKCTLP LTGKQCVNRI ITEKAVFDVD RKKGLTLIEL DATA SEQUENCE WEGLTVDDIK KSTGCDFAVS PKLIPMQQVT VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 T HA 0.000 nan 4.350 nan 0.000 0.228 1 T C 0.000 174.792 174.700 0.153 0.000 1.109 1 T CA 0.000 62.159 62.100 0.099 0.000 1.349 1 T CB 0.000 68.853 68.868 -0.024 0.000 0.612 2 K N 2.648 123.110 120.400 0.103 0.000 2.213 2 K HA 0.641 4.961 4.320 -0.000 0.000 0.270 2 K C -1.075 175.571 176.600 0.078 0.000 1.002 2 K CA -0.595 55.778 56.287 0.144 0.000 0.868 2 K CB 0.537 33.110 32.500 0.122 0.000 1.093 2 K HN 0.358 nan 8.250 nan 0.000 0.454 3 F N 3.270 123.191 119.950 -0.048 0.000 2.379 3 F HA 0.371 4.898 4.527 -0.000 0.000 0.332 3 F C -0.274 175.405 175.800 -0.201 0.000 1.096 3 F CA -0.188 57.819 58.000 0.012 0.000 1.105 3 F CB 0.701 39.704 39.000 0.006 0.000 1.189 3 F HN 0.410 nan 8.300 nan 0.000 0.515 4 Y N -0.955 119.451 120.300 0.177 0.000 2.576 4 Y HA 0.383 4.933 4.550 -0.000 0.000 0.346 4 Y C 0.891 176.859 175.900 0.112 0.000 1.018 4 Y CA -0.883 57.288 58.100 0.118 0.000 1.050 4 Y CB 2.009 40.512 38.460 0.072 0.000 1.280 4 Y HN 0.571 nan 8.280 nan 0.000 0.474 5 T N -3.920 110.779 114.554 0.243 0.000 2.978 5 T HA 0.115 4.465 4.350 -0.000 0.000 0.248 5 T C -0.170 174.613 174.700 0.137 0.000 1.018 5 T CA 0.183 62.377 62.100 0.157 0.000 1.026 5 T CB 0.322 69.251 68.868 0.102 0.000 1.032 5 T HN 0.408 nan 8.240 nan 0.000 0.485 6 D N 1.089 121.588 120.400 0.164 0.000 2.414 6 D HA 0.663 5.303 4.640 -0.000 0.000 0.232 6 D C 1.164 177.515 176.300 0.086 0.000 1.070 6 D CA -0.346 53.718 54.000 0.108 0.000 0.839 6 D CB 1.614 42.472 40.800 0.096 0.000 1.079 6 D HN 0.141 nan 8.370 nan 0.000 0.521 7 A N 3.388 126.225 122.820 0.029 0.000 1.940 7 A HA -0.142 4.178 4.320 -0.000 0.000 0.219 7 A C 2.201 179.748 177.584 -0.061 0.000 1.176 7 A CA 1.359 53.378 52.037 -0.030 0.000 0.631 7 A CB -0.474 18.506 19.000 -0.033 0.000 0.814 7 A HN 0.508 nan 8.150 nan 0.000 0.446 8 V N -0.213 119.683 119.914 -0.030 0.000 2.332 8 V HA -0.256 3.864 4.120 -0.000 0.000 0.248 8 V C 2.596 178.669 176.094 -0.035 0.000 1.055 8 V CA 2.473 64.750 62.300 -0.038 0.000 1.038 8 V CB -0.657 31.155 31.823 -0.017 0.000 0.651 8 V HN 0.653 nan 8.190 nan 0.000 0.450 9 E N 0.390 120.599 120.200 0.015 0.000 2.077 9 E HA -0.165 4.184 4.350 -0.000 0.000 0.193 9 E C 2.125 178.701 176.600 -0.041 0.000 0.989 9 E CA 1.491 57.936 56.400 0.075 0.000 0.800 9 E CB -0.469 29.377 29.700 0.244 0.000 0.746 9 E HN 0.563 nan 8.360 nan 0.000 0.452 10 A N -0.331 122.296 122.820 -0.321 0.000 2.119 10 A HA -0.042 4.278 4.320 -0.000 0.000 0.217 10 A C 1.880 179.283 177.584 -0.301 0.000 1.153 10 A CA 1.425 53.005 52.037 -0.762 0.000 0.692 10 A CB -0.110 18.339 19.000 -0.919 0.000 0.799 10 A HN 0.247 nan 8.150 nan 0.000 0.458 11 V N -2.969 116.829 119.914 -0.194 0.000 3.432 11 V HA 0.119 4.239 4.120 -0.000 0.000 0.298 11 V C 1.552 177.521 176.094 -0.208 0.000 1.464 11 V CA 0.585 62.761 62.300 -0.208 0.000 1.046 11 V CB -0.496 31.208 31.823 -0.198 0.000 0.887 11 V HN 0.594 nan 8.190 nan 0.000 0.441 12 K N 2.562 122.893 120.400 -0.114 0.000 2.211 12 K HA -0.196 4.124 4.320 -0.000 0.000 0.204 12 K C 1.227 177.780 176.600 -0.079 0.000 1.047 12 K CA 2.130 58.370 56.287 -0.077 0.000 0.935 12 K CB -0.478 32.010 32.500 -0.019 0.000 0.728 12 K HN 0.629 nan 8.250 nan 0.000 0.452 13 D N 1.034 121.391 120.400 -0.070 0.000 2.340 13 D HA 0.041 4.681 4.640 -0.000 0.000 0.217 13 D C 0.443 176.664 176.300 -0.131 0.000 1.081 13 D CA -0.337 53.650 54.000 -0.022 0.000 0.842 13 D CB -0.266 40.598 40.800 0.107 0.000 0.934 13 D HN 0.255 nan 8.370 nan 0.000 0.511 14 I N 2.945 123.257 120.570 -0.430 0.000 2.662 14 I HA 0.043 4.213 4.170 -0.000 0.000 0.285 14 I C -1.800 174.164 176.117 -0.255 0.000 1.161 14 I CA -1.141 59.732 61.300 -0.711 0.000 1.415 14 I CB 0.507 38.040 38.000 -0.777 0.000 1.385 14 I HN -0.126 nan 8.210 nan 0.000 0.552 15 P HA 0.153 nan 4.420 nan 0.000 0.281 15 P C -0.986 176.290 177.300 -0.039 0.000 1.249 15 P CA -0.690 62.389 63.100 -0.035 0.000 0.810 15 P CB 0.660 32.381 31.700 0.034 0.000 1.008 16 N N 0.488 119.170 118.700 -0.030 0.000 2.356 16 N HA 0.113 4.853 4.740 -0.000 0.000 0.252 16 N C 1.660 177.165 175.510 -0.009 0.000 1.241 16 N CA 1.826 54.861 53.050 -0.024 0.000 0.861 16 N CB -0.467 38.010 38.487 -0.017 0.000 1.075 16 N HN 0.817 nan 8.380 nan 0.000 0.461 17 G N -0.291 108.504 108.800 -0.008 0.000 2.176 17 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.253 17 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.253 17 G C 0.339 175.250 174.900 0.017 0.000 0.979 17 G CA 0.372 45.474 45.100 0.004 0.000 0.641 17 G HN 0.941 nan 8.290 nan 0.000 0.530 18 A N 0.065 122.897 122.820 0.020 0.000 2.466 18 A HA 0.583 4.903 4.320 -0.000 0.000 0.238 18 A C 0.747 178.365 177.584 0.055 0.000 1.074 18 A CA 1.380 53.453 52.037 0.059 0.000 0.774 18 A CB 0.274 19.314 19.000 0.068 0.000 1.015 18 A HN 0.797 nan 8.150 nan 0.000 0.498 19 T N 1.849 116.453 114.554 0.084 0.000 2.743 19 T HA 0.485 4.835 4.350 -0.000 0.000 0.293 19 T C -0.368 174.392 174.700 0.099 0.000 0.945 19 T CA -0.144 61.996 62.100 0.067 0.000 1.030 19 T CB 0.462 69.365 68.868 0.058 0.000 0.912 19 T HN 0.443 nan 8.240 nan 0.000 0.483 20 V N 5.568 125.522 119.914 0.067 0.000 2.487 20 V HA 0.434 4.554 4.120 -0.000 0.000 0.298 20 V C -0.076 176.047 176.094 0.049 0.000 1.028 20 V CA -1.017 61.332 62.300 0.082 0.000 0.860 20 V CB 1.597 33.444 31.823 0.039 0.000 0.991 20 V HN 0.741 nan 8.190 nan 0.000 0.427 21 L N 5.010 126.270 121.223 0.063 0.000 2.305 21 L HA 0.634 4.974 4.340 -0.000 0.000 0.281 21 L C -0.591 176.299 176.870 0.033 0.000 1.085 21 L CA -0.570 54.293 54.840 0.039 0.000 0.813 21 L CB 1.351 43.441 42.059 0.051 0.000 1.157 21 L HN 0.362 nan 8.230 nan 0.000 0.436 22 V N 2.141 122.057 119.914 0.004 0.000 2.483 22 V HA 0.500 4.620 4.120 -0.000 0.000 0.297 22 V C 0.700 176.795 176.094 0.002 0.000 1.027 22 V CA -0.602 61.698 62.300 0.000 0.000 0.855 22 V CB 1.478 33.284 31.823 -0.029 0.000 0.995 22 V HN 0.904 nan 8.190 nan 0.000 0.424 23 G N 2.321 111.149 108.800 0.048 0.000 2.616 23 G HA2 0.654 4.613 3.960 -0.000 0.000 0.268 23 G HA3 0.654 4.613 3.960 -0.000 0.000 0.268 23 G C 0.249 175.197 174.900 0.080 0.000 1.213 23 G CA 0.267 45.420 45.100 0.088 0.000 0.926 23 G HN 1.689 nan 8.290 nan 0.000 0.523 24 G N -1.985 106.899 108.800 0.140 0.000 2.484 24 G HA2 0.402 4.362 3.960 -0.000 0.000 0.685 24 G HA3 0.402 4.362 3.960 -0.000 0.000 0.685 24 G C -1.221 173.812 174.900 0.221 0.000 1.294 24 G CA -0.306 44.887 45.100 0.155 0.000 0.879 24 G HN 1.526 nan 8.290 nan 0.000 0.646 25 F N 2.220 122.228 119.950 0.097 0.000 2.612 25 F HA 0.620 5.147 4.527 -0.000 0.000 0.332 25 F C 0.947 176.802 175.800 0.092 0.000 1.167 25 F CA 1.313 59.381 58.000 0.114 0.000 0.970 25 F CB 1.136 40.224 39.000 0.146 0.000 1.234 25 F HN 2.346 nan 8.300 nan 0.000 0.453 26 G N 4.945 113.457 108.800 -0.480 0.000 2.591 26 G HA2 -0.324 3.635 3.960 -0.000 0.000 0.298 26 G HA3 -0.324 3.635 3.960 -0.000 0.000 0.298 26 G C 0.457 175.334 174.900 -0.038 0.000 1.195 26 G CA 0.331 45.263 45.100 -0.281 0.000 0.989 26 G HN 0.800 nan 8.290 nan 0.000 0.551 27 L N 1.873 123.125 121.223 0.049 0.000 2.640 27 L HA 0.304 4.644 4.340 -0.000 0.000 0.230 27 L C 1.595 178.568 176.870 0.173 0.000 1.123 27 L CA 0.693 55.628 54.840 0.159 0.000 0.900 27 L CB 0.080 42.245 42.059 0.177 0.000 1.146 27 L HN 0.611 nan 8.230 nan 0.000 0.484 28 S N 0.158 115.949 115.700 0.152 0.000 2.505 28 S HA 0.421 4.891 4.470 -0.000 0.000 0.276 28 S C 1.121 175.818 174.600 0.161 0.000 1.274 28 S CA 0.121 58.415 58.200 0.156 0.000 1.053 28 S CB 1.151 64.459 63.200 0.180 0.000 0.919 28 S HN 0.437 nan 8.310 nan 0.000 0.490 29 G N 2.404 111.285 108.800 0.136 0.000 2.338 29 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.296 29 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.296 29 G C -0.178 174.817 174.900 0.159 0.000 1.040 29 G CA 0.369 45.557 45.100 0.147 0.000 1.004 29 G HN 1.556 nan 8.290 nan 0.000 0.509 30 I N -2.060 118.609 120.570 0.165 0.000 2.428 30 I HA 0.702 4.872 4.170 -0.000 0.000 0.296 30 I C -1.951 174.240 176.117 0.123 0.000 0.985 30 I CA -3.469 57.899 61.300 0.112 0.000 1.260 30 I CB 1.536 39.567 38.000 0.051 0.000 1.389 30 I HN -0.087 nan 8.210 nan 0.000 0.484 31 P HA 0.106 nan 4.420 nan 0.000 0.230 31 P C 0.167 177.474 177.300 0.012 0.000 1.791 31 P CA 0.048 63.205 63.100 0.094 0.000 1.020 31 P CB 0.160 31.902 31.700 0.070 0.000 1.977 32 E N 1.236 121.445 120.200 0.015 0.000 2.113 32 E HA -0.253 4.097 4.350 -0.000 0.000 0.210 32 E C 1.536 178.050 176.600 -0.143 0.000 1.040 32 E CA 1.479 57.801 56.400 -0.129 0.000 0.847 32 E CB -0.227 29.455 29.700 -0.030 0.000 0.755 32 E HN 0.492 nan 8.360 nan 0.000 0.459 33 N N 0.364 118.985 118.700 -0.132 0.000 2.216 33 N HA -0.075 4.665 4.740 -0.000 0.000 0.183 33 N C 2.071 177.533 175.510 -0.080 0.000 1.017 33 N CA 0.725 53.697 53.050 -0.130 0.000 0.861 33 N CB -0.042 38.350 38.487 -0.158 0.000 0.986 33 N HN 0.172 nan 8.380 nan 0.000 0.428 34 L N 1.019 122.212 121.223 -0.050 0.000 2.093 34 L HA -0.051 4.289 4.340 -0.000 0.000 0.208 34 L C 2.265 179.091 176.870 -0.073 0.000 1.085 34 L CA 0.831 55.640 54.840 -0.051 0.000 0.755 34 L CB -0.338 41.707 42.059 -0.024 0.000 0.904 34 L HN 0.076 nan 8.230 nan 0.000 0.435 35 I N -0.136 120.381 120.570 -0.087 0.000 2.315 35 I HA -0.181 3.989 4.170 -0.000 0.000 0.248 35 I C 2.627 178.682 176.117 -0.104 0.000 1.117 35 I CA 1.302 62.538 61.300 -0.106 0.000 1.404 35 I CB -0.788 37.122 38.000 -0.149 0.000 1.071 35 I HN 0.263 nan 8.210 nan 0.000 0.419 36 G N 0.639 109.375 108.800 -0.107 0.000 2.440 36 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.218 36 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.218 36 G C 1.851 176.710 174.900 -0.069 0.000 1.154 36 G CA 0.841 45.890 45.100 -0.085 0.000 0.767 36 G HN 0.491 nan 8.290 nan 0.000 0.552 37 A N 0.443 123.221 122.820 -0.071 0.000 1.969 37 A HA 0.166 4.486 4.320 -0.000 0.000 0.218 37 A C 2.375 179.915 177.584 -0.072 0.000 1.169 37 A CA 0.979 52.976 52.037 -0.065 0.000 0.635 37 A CB -0.295 18.663 19.000 -0.070 0.000 0.810 37 A HN 0.348 nan 8.150 nan 0.000 0.445 38 L N -0.714 120.460 121.223 -0.082 0.000 2.201 38 L HA -0.116 4.224 4.340 -0.000 0.000 0.212 38 L C 2.414 179.243 176.870 -0.068 0.000 1.105 38 L CA 0.740 55.528 54.840 -0.086 0.000 0.775 38 L CB -0.553 41.451 42.059 -0.092 0.000 0.913 38 L HN 0.393 nan 8.230 nan 0.000 0.440 39 L N -0.157 121.029 121.223 -0.061 0.000 2.131 39 L HA -0.231 4.109 4.340 -0.000 0.000 0.210 39 L C 2.556 179.401 176.870 -0.040 0.000 1.092 39 L CA 1.458 56.270 54.840 -0.048 0.000 0.759 39 L CB -0.270 41.763 42.059 -0.044 0.000 0.903 39 L HN 0.265 nan 8.230 nan 0.000 0.435 40 K N -0.861 119.514 120.400 -0.041 0.000 2.137 40 K HA -0.073 4.247 4.320 -0.000 0.000 0.202 40 K C 2.079 178.658 176.600 -0.036 0.000 1.052 40 K CA 1.617 57.884 56.287 -0.033 0.000 0.961 40 K CB -0.239 32.243 32.500 -0.030 0.000 0.741 40 K HN 0.378 nan 8.250 nan 0.000 0.452 41 T N -1.820 112.705 114.554 -0.048 0.000 2.951 41 T HA 0.010 4.359 4.350 -0.000 0.000 0.268 41 T C 1.618 176.289 174.700 -0.047 0.000 1.073 41 T CA 0.892 62.962 62.100 -0.050 0.000 1.134 41 T CB -0.316 68.508 68.868 -0.072 0.000 0.884 41 T HN 0.371 nan 8.240 nan 0.000 0.479 42 G N 0.827 109.599 108.800 -0.047 0.000 2.168 42 G HA2 -0.248 3.711 3.960 -0.000 0.000 0.257 42 G HA3 -0.248 3.711 3.960 -0.000 0.000 0.257 42 G C 0.265 175.137 174.900 -0.047 0.000 0.997 42 G CA 0.222 45.297 45.100 -0.041 0.000 0.708 42 G HN 1.068 nan 8.290 nan 0.000 0.520 43 V N 0.837 120.713 119.914 -0.063 0.000 2.644 43 V HA 0.452 4.572 4.120 -0.000 0.000 0.305 43 V C 0.820 176.881 176.094 -0.055 0.000 1.053 43 V CA 1.355 63.613 62.300 -0.069 0.000 1.186 43 V CB 0.425 32.185 31.823 -0.105 0.000 0.895 43 V HN 0.786 nan 8.190 nan 0.000 0.490 44 K N 3.927 124.301 120.400 -0.044 0.000 2.261 44 K HA 0.609 4.928 4.320 -0.000 0.000 0.242 44 K C -0.133 176.450 176.600 -0.028 0.000 1.083 44 K CA -0.704 55.563 56.287 -0.035 0.000 0.880 44 K CB 1.151 33.635 32.500 -0.027 0.000 1.353 44 K HN 0.493 nan 8.250 nan 0.000 0.486 45 E N 0.571 120.757 120.200 -0.023 0.000 2.389 45 E HA -0.189 4.161 4.350 -0.000 0.000 0.243 45 E C -0.737 175.853 176.600 -0.016 0.000 1.154 45 E CA 0.333 56.723 56.400 -0.017 0.000 0.723 45 E CB -1.505 28.188 29.700 -0.012 0.000 1.261 45 E HN 0.372 nan 8.360 nan 0.000 0.390 46 L N 0.179 121.389 121.223 -0.021 0.000 2.418 46 L HA 0.249 4.589 4.340 -0.000 0.000 0.265 46 L C 0.941 177.805 176.870 -0.011 0.000 1.143 46 L CA -0.022 54.808 54.840 -0.018 0.000 0.809 46 L CB 0.999 43.041 42.059 -0.028 0.000 1.124 46 L HN -0.092 nan 8.230 nan 0.000 0.456 47 T N 2.237 116.789 114.554 -0.002 0.000 2.853 47 T HA 0.465 4.815 4.350 -0.000 0.000 0.317 47 T C 0.004 174.703 174.700 -0.002 0.000 1.059 47 T CA -0.424 61.675 62.100 -0.002 0.000 0.954 47 T CB 0.845 69.717 68.868 0.006 0.000 0.994 47 T HN 0.631 nan 8.240 nan 0.000 0.479 48 A N 3.832 126.644 122.820 -0.013 0.000 2.252 48 A HA 0.588 4.908 4.320 -0.000 0.000 0.309 48 A C 0.144 177.708 177.584 -0.033 0.000 1.285 48 A CA -0.558 51.467 52.037 -0.020 0.000 0.900 48 A CB 0.340 19.323 19.000 -0.028 0.000 1.157 48 A HN 0.650 nan 8.150 nan 0.000 0.536 49 V N 3.213 123.109 119.914 -0.030 0.000 2.339 49 V HA 0.491 4.610 4.120 -0.000 0.000 0.261 49 V C 0.484 176.523 176.094 -0.093 0.000 1.058 49 V CA 0.185 62.454 62.300 -0.052 0.000 0.897 49 V CB 0.357 32.170 31.823 -0.018 0.000 1.052 49 V HN 0.872 nan 8.190 nan 0.000 0.480 50 S N 3.563 119.173 115.700 -0.149 0.000 2.572 50 S HA 0.335 4.805 4.470 -0.000 0.000 0.274 50 S C 0.728 175.144 174.600 -0.307 0.000 1.150 50 S CA -0.662 57.416 58.200 -0.205 0.000 0.944 50 S CB 1.588 64.706 63.200 -0.137 0.000 1.071 50 S HN 0.691 nan 8.310 nan 0.000 0.479 51 N N 4.366 122.772 118.700 -0.491 0.000 2.094 51 N HA -0.050 4.690 4.740 -0.000 0.000 0.191 51 N C 0.221 175.570 175.510 -0.269 0.000 1.023 51 N CA 1.879 54.612 53.050 -0.528 0.000 0.857 51 N CB -0.098 37.961 38.487 -0.714 0.000 1.013 51 N HN 0.755 nan 8.380 nan 0.000 0.426 52 N N -2.409 116.150 118.700 -0.235 0.000 2.701 52 N HA 0.575 5.315 4.740 -0.000 0.000 0.290 52 N C -1.079 174.286 175.510 -0.242 0.000 1.338 52 N CA -0.386 52.525 53.050 -0.231 0.000 0.799 52 N CB 1.478 39.840 38.487 -0.210 0.000 1.491 52 N HN 0.042 nan 8.380 nan 0.000 0.540 53 A N 0.139 122.776 122.820 -0.304 0.000 2.577 53 A HA 0.602 4.922 4.320 -0.000 0.000 0.280 53 A C 1.077 178.581 177.584 -0.134 0.000 1.331 53 A CA 0.279 52.162 52.037 -0.256 0.000 0.935 53 A CB -1.273 17.433 19.000 -0.489 0.000 1.082 53 A HN 0.916 nan 8.150 nan 0.000 0.525 54 G N -0.386 108.353 108.800 -0.101 0.000 2.594 54 G HA2 -0.125 3.835 3.960 -0.000 0.000 0.297 54 G HA3 -0.125 3.835 3.960 -0.000 0.000 0.297 54 G C 0.464 175.367 174.900 0.005 0.000 1.273 54 G CA 1.299 46.391 45.100 -0.014 0.000 0.974 54 G HN 1.835 nan 8.290 nan 0.000 0.552 55 V N -3.591 116.368 119.914 0.075 0.000 3.156 55 V HA 0.778 4.898 4.120 -0.000 0.000 0.311 55 V C 1.136 177.281 176.094 0.084 0.000 1.208 55 V CA 0.665 63.006 62.300 0.068 0.000 1.063 55 V CB 1.279 33.152 31.823 0.083 0.000 1.098 55 V HN 0.636 nan 8.190 nan 0.000 0.452 56 D N 1.688 122.132 120.400 0.074 0.000 2.133 56 D HA -0.182 4.458 4.640 -0.000 0.000 0.192 56 D C 1.178 177.528 176.300 0.083 0.000 1.001 56 D CA 2.519 56.563 54.000 0.074 0.000 0.844 56 D CB -0.236 40.599 40.800 0.059 0.000 0.944 56 D HN 0.908 nan 8.370 nan 0.000 0.447 57 N N -0.740 118.027 118.700 0.112 0.000 2.328 57 N HA 0.106 4.846 4.740 -0.000 0.000 0.247 57 N C -0.855 174.818 175.510 0.272 0.000 1.165 57 N CA -0.289 52.844 53.050 0.138 0.000 0.873 57 N CB 0.050 38.602 38.487 0.109 0.000 1.125 57 N HN 0.088 nan 8.380 nan 0.000 0.513 58 F N -0.397 119.556 119.950 0.005 0.000 2.665 58 F HA 0.573 5.099 4.527 -0.000 0.000 0.308 58 F C 0.832 176.632 175.800 0.001 0.000 1.112 58 F CA 0.465 58.468 58.000 0.005 0.000 0.972 58 F CB 1.342 40.348 39.000 0.009 0.000 1.295 58 F HN 0.265 nan 8.300 nan 0.000 0.440 59 G N 3.562 111.976 108.800 -0.643 0.000 2.547 59 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.271 59 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.271 59 G C 0.865 175.653 174.900 -0.187 0.000 1.209 59 G CA 0.080 44.969 45.100 -0.352 0.000 0.959 59 G HN 0.895 nan 8.290 nan 0.000 0.563 60 L N 1.767 122.925 121.223 -0.109 0.000 2.127 60 L HA -0.085 4.255 4.340 -0.000 0.000 0.211 60 L C 3.259 180.106 176.870 -0.037 0.000 1.089 60 L CA 2.327 57.124 54.840 -0.072 0.000 0.757 60 L CB -1.173 40.849 42.059 -0.062 0.000 0.899 60 L HN 0.883 nan 8.230 nan 0.000 0.434 61 G N 0.178 108.967 108.800 -0.018 0.000 2.503 61 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.221 61 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.221 61 G C 1.611 176.519 174.900 0.013 0.000 1.131 61 G CA 0.737 45.852 45.100 0.026 0.000 0.756 61 G HN 0.323 nan 8.290 nan 0.000 0.572 62 L N -0.303 120.906 121.223 -0.024 0.000 2.083 62 L HA 0.027 4.367 4.340 -0.000 0.000 0.209 62 L C 2.769 179.622 176.870 -0.027 0.000 1.083 62 L CA 0.588 55.412 54.840 -0.027 0.000 0.752 62 L CB -0.268 41.752 42.059 -0.065 0.000 0.899 62 L HN 0.190 nan 8.230 nan 0.000 0.433 63 L N -0.945 120.255 121.223 -0.038 0.000 2.395 63 L HA -0.131 4.209 4.340 -0.000 0.000 0.218 63 L C 2.287 179.147 176.870 -0.016 0.000 1.130 63 L CA 0.516 55.336 54.840 -0.033 0.000 0.826 63 L CB -0.229 41.804 42.059 -0.043 0.000 0.941 63 L HN 0.286 nan 8.230 nan 0.000 0.451 64 L N -0.836 120.387 121.223 0.001 0.000 2.068 64 L HA -0.166 4.174 4.340 -0.000 0.000 0.204 64 L C 2.637 179.510 176.870 0.004 0.000 1.076 64 L CA 1.046 55.893 54.840 0.012 0.000 0.753 64 L CB -0.361 41.731 42.059 0.054 0.000 0.910 64 L HN 0.290 nan 8.230 nan 0.000 0.439 65 Q N -0.004 119.801 119.800 0.009 0.000 2.112 65 Q HA -0.236 4.104 4.340 -0.000 0.000 0.206 65 Q C 2.130 178.129 176.000 -0.003 0.000 0.987 65 Q CA 2.166 57.973 55.803 0.007 0.000 0.858 65 Q CB -0.018 28.728 28.738 0.013 0.000 0.905 65 Q HN 0.543 nan 8.270 nan 0.000 0.420 66 S N -0.828 114.867 115.700 -0.009 0.000 2.603 66 S HA 0.059 4.529 4.470 -0.000 0.000 0.220 66 S C 0.266 174.856 174.600 -0.016 0.000 0.967 66 S CA 0.387 58.579 58.200 -0.014 0.000 0.920 66 S CB 0.163 63.352 63.200 -0.019 0.000 0.773 66 S HN 0.306 nan 8.310 nan 0.000 0.529 67 K N 0.270 120.660 120.400 -0.016 0.000 3.160 67 K HA -0.210 4.109 4.320 -0.000 0.000 0.280 67 K C 0.682 177.269 176.600 -0.021 0.000 1.154 67 K CA 1.168 57.444 56.287 -0.019 0.000 0.822 67 K CB -2.301 30.189 32.500 -0.017 0.000 1.239 67 K HN 0.611 nan 8.250 nan 0.000 0.489 68 Q N -0.363 119.423 119.800 -0.024 0.000 2.451 68 Q HA 0.167 4.507 4.340 -0.000 0.000 0.206 68 Q C 0.177 176.160 176.000 -0.028 0.000 0.947 68 Q CA 0.452 56.238 55.803 -0.028 0.000 0.937 68 Q CB 0.319 29.036 28.738 -0.036 0.000 1.025 68 Q HN 0.456 nan 8.270 nan 0.000 0.511 69 I N 0.600 121.156 120.570 -0.024 0.000 2.377 69 I HA 0.101 4.271 4.170 -0.000 0.000 0.293 69 I C 0.910 177.014 176.117 -0.022 0.000 0.987 69 I CA -0.236 61.051 61.300 -0.022 0.000 1.185 69 I CB 1.597 39.588 38.000 -0.015 0.000 1.341 69 I HN -0.079 nan 8.210 nan 0.000 0.455 70 K N 5.379 125.767 120.400 -0.020 0.000 2.244 70 K HA 0.204 4.524 4.320 -0.000 0.000 0.200 70 K C 0.619 177.206 176.600 -0.020 0.000 1.052 70 K CA 0.419 56.695 56.287 -0.018 0.000 0.980 70 K CB 0.623 33.115 32.500 -0.013 0.000 0.838 70 K HN 0.595 nan 8.250 nan 0.000 0.481 71 R N 0.389 120.878 120.500 -0.019 0.000 2.626 71 R HA 0.298 4.638 4.340 -0.000 0.000 0.274 71 R C -1.478 174.810 176.300 -0.020 0.000 1.031 71 R CA -0.558 55.529 56.100 -0.021 0.000 0.898 71 R CB 1.385 31.676 30.300 -0.015 0.000 1.222 71 R HN -0.018 nan 8.270 nan 0.000 0.455 72 M N 5.236 124.822 119.600 -0.024 0.000 2.456 72 M HA 0.465 4.945 4.480 -0.000 0.000 0.324 72 M C -0.704 175.571 176.300 -0.041 0.000 1.124 72 M CA -0.682 54.604 55.300 -0.023 0.000 0.959 72 M CB 1.964 34.574 32.600 0.017 0.000 1.692 72 M HN 0.541 nan 8.290 nan 0.000 0.444 73 I N 2.137 122.675 120.570 -0.054 0.000 2.466 73 I HA 0.369 4.539 4.170 -0.000 0.000 0.279 73 I C -0.679 175.378 176.117 -0.099 0.000 1.033 73 I CA -0.140 61.125 61.300 -0.058 0.000 1.123 73 I CB 1.320 39.297 38.000 -0.040 0.000 1.237 73 I HN 0.621 nan 8.210 nan 0.000 0.460 74 S N 1.917 117.552 115.700 -0.108 0.000 2.618 74 S HA 0.331 4.801 4.470 -0.000 0.000 0.277 74 S C 0.530 175.067 174.600 -0.104 0.000 1.138 74 S CA -0.599 57.510 58.200 -0.151 0.000 0.844 74 S CB 2.117 65.204 63.200 -0.189 0.000 1.127 74 S HN 0.672 nan 8.310 nan 0.000 0.474 75 S N 0.059 115.705 115.700 -0.091 0.000 2.468 75 S HA 0.216 4.686 4.470 -0.000 0.000 0.226 75 S C -0.061 174.605 174.600 0.110 0.000 1.051 75 S CA 0.172 58.374 58.200 0.003 0.000 0.943 75 S CB -0.150 63.074 63.200 0.038 0.000 0.810 75 S HN 0.746 nan 8.310 nan 0.000 0.509 76 Y N 1.534 121.775 120.300 -0.098 0.000 2.361 76 Y HA 0.520 5.070 4.550 -0.000 0.000 0.328 76 Y C -0.403 175.362 175.900 -0.225 0.000 1.044 76 Y CA -1.155 56.887 58.100 -0.097 0.000 1.085 76 Y CB 2.135 40.566 38.460 -0.048 0.000 1.194 76 Y HN 0.092 nan 8.280 nan 0.000 0.438 77 V N 3.064 122.458 119.914 -0.868 0.000 3.006 77 V HA 0.639 4.759 4.120 -0.000 0.000 0.357 77 V C 0.749 176.246 176.094 -0.995 0.000 1.377 77 V CA 0.267 61.959 62.300 -1.014 0.000 1.198 77 V CB -0.143 30.812 31.823 -1.447 0.000 1.216 77 V HN 0.871 nan 8.190 nan 0.000 0.520 78 G N 0.096 108.129 108.800 -1.280 0.000 2.621 78 G HA2 0.488 4.447 3.960 -0.000 0.000 0.271 78 G HA3 0.488 4.447 3.960 -0.000 0.000 0.271 78 G C 0.230 174.961 174.900 -0.282 0.000 1.236 78 G CA -0.010 44.700 45.100 -0.650 0.000 0.958 78 G HN 0.524 nan 8.290 nan 0.000 0.512 79 E N -1.509 118.647 120.200 -0.074 0.000 2.637 79 E HA -0.175 4.175 4.350 -0.000 0.000 0.265 79 E C -0.100 176.495 176.600 -0.008 0.000 1.073 79 E CA 1.110 57.506 56.400 -0.006 0.000 0.778 79 E CB -1.280 28.438 29.700 0.029 0.000 1.362 79 E HN 0.454 nan 8.360 nan 0.000 0.413 80 N N -1.194 117.507 118.700 0.002 0.000 2.594 80 N HA 0.478 5.218 4.740 -0.000 0.000 0.280 80 N C 0.463 176.052 175.510 0.132 0.000 1.156 80 N CA 0.493 53.580 53.050 0.061 0.000 0.831 80 N CB 0.886 39.404 38.487 0.052 0.000 1.379 80 N HN 0.035 nan 8.380 nan 0.000 0.536 81 A N 2.486 125.361 122.820 0.092 0.000 1.877 81 A HA -0.159 4.160 4.320 -0.000 0.000 0.216 81 A C 1.774 179.410 177.584 0.086 0.000 1.186 81 A CA 1.793 53.879 52.037 0.082 0.000 0.620 81 A CB -0.367 18.662 19.000 0.048 0.000 0.822 81 A HN 0.683 nan 8.150 nan 0.000 0.443 82 E N -0.632 119.617 120.200 0.081 0.000 2.110 82 E HA -0.186 4.164 4.350 -0.000 0.000 0.193 82 E C 1.613 178.245 176.600 0.053 0.000 0.988 82 E CA 1.553 57.986 56.400 0.055 0.000 0.804 82 E CB -0.514 29.216 29.700 0.049 0.000 0.745 82 E HN 0.587 nan 8.360 nan 0.000 0.458 83 F N 1.248 121.200 119.950 0.003 0.000 2.102 83 F HA -0.101 4.426 4.527 -0.000 0.000 0.298 83 F C 2.196 178.031 175.800 0.060 0.000 1.105 83 F CA 2.157 60.158 58.000 0.002 0.000 1.239 83 F CB -0.446 38.531 39.000 -0.039 0.000 0.991 83 F HN 0.139 nan 8.300 nan 0.000 0.474 84 E N 0.285 120.622 120.200 0.228 0.000 2.051 84 E HA -0.254 4.096 4.350 -0.000 0.000 0.192 84 E C 2.581 179.175 176.600 -0.011 0.000 0.991 84 E CA 1.111 57.613 56.400 0.170 0.000 0.799 84 E CB -0.364 29.465 29.700 0.215 0.000 0.748 84 E HN 0.385 nan 8.360 nan 0.000 0.449 85 R N 0.319 120.811 120.500 -0.013 0.000 2.096 85 R HA -0.225 4.115 4.340 -0.000 0.000 0.240 85 R C 2.399 178.655 176.300 -0.073 0.000 1.139 85 R CA 2.171 58.246 56.100 -0.041 0.000 0.952 85 R CB -0.192 30.093 30.300 -0.025 0.000 0.854 85 R HN 0.337 nan 8.270 nan 0.000 0.436 86 Q N -0.970 118.764 119.800 -0.110 0.000 2.061 86 Q HA -0.232 4.108 4.340 -0.000 0.000 0.204 86 Q C 1.991 177.938 176.000 -0.088 0.000 0.984 86 Q CA 1.770 57.502 55.803 -0.119 0.000 0.846 86 Q CB -0.316 28.324 28.738 -0.163 0.000 0.902 86 Q HN 0.376 nan 8.270 nan 0.000 0.421 87 Y N 1.324 121.379 120.300 -0.408 0.000 2.128 87 Y HA -0.208 4.342 4.550 -0.000 0.000 0.284 87 Y C 1.807 177.687 175.900 -0.033 0.000 1.154 87 Y CA 1.333 59.256 58.100 -0.294 0.000 1.149 87 Y CB -0.456 37.701 38.460 -0.505 0.000 0.976 87 Y HN 0.050 nan 8.280 nan 0.000 0.505 88 L N -0.607 120.552 121.223 -0.107 0.000 2.201 88 L HA -0.104 4.236 4.340 -0.000 0.000 0.212 88 L C 2.431 179.201 176.870 -0.166 0.000 1.105 88 L CA 1.015 55.678 54.840 -0.295 0.000 0.775 88 L CB -0.828 41.069 42.059 -0.270 0.000 0.913 88 L HN 0.224 nan 8.230 nan 0.000 0.440 89 A N -0.302 122.472 122.820 -0.076 0.000 2.238 89 A HA 0.295 4.615 4.320 -0.000 0.000 0.208 89 A C 1.791 179.373 177.584 -0.004 0.000 1.177 89 A CA 0.695 52.705 52.037 -0.046 0.000 0.804 89 A CB -0.439 18.537 19.000 -0.040 0.000 0.823 89 A HN 0.511 nan 8.150 nan 0.000 0.482 90 G N -0.483 108.344 108.800 0.045 0.000 2.148 90 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.254 90 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.254 90 G C 0.428 175.355 174.900 0.044 0.000 0.981 90 G CA 0.658 45.805 45.100 0.079 0.000 0.670 90 G HN 0.631 nan 8.290 nan 0.000 0.528 91 E N -1.224 118.987 120.200 0.019 0.000 2.489 91 E HA 0.370 4.720 4.350 -0.000 0.000 0.193 91 E C 0.503 177.095 176.600 -0.013 0.000 1.057 91 E CA 0.210 56.608 56.400 -0.004 0.000 0.866 91 E CB 0.504 30.192 29.700 -0.021 0.000 0.916 91 E HN 0.462 nan 8.360 nan 0.000 0.500 92 L N 1.039 122.260 121.223 -0.002 0.000 2.464 92 L HA 0.278 4.617 4.340 -0.000 0.000 0.266 92 L C -1.332 175.535 176.870 -0.005 0.000 0.965 92 L CA -0.537 54.278 54.840 -0.041 0.000 0.833 92 L CB 1.936 43.902 42.059 -0.154 0.000 1.296 92 L HN -0.210 nan 8.230 nan 0.000 0.405 93 E N 3.895 124.081 120.200 -0.024 0.000 2.249 93 E HA 0.626 4.976 4.350 -0.000 0.000 0.280 93 E C -1.265 175.291 176.600 -0.073 0.000 1.016 93 E CA -0.743 55.647 56.400 -0.016 0.000 0.830 93 E CB 2.191 31.886 29.700 -0.010 0.000 1.081 93 E HN 0.392 nan 8.360 nan 0.000 0.395 94 V N 2.531 122.390 119.914 -0.091 0.000 2.612 94 V HA 0.150 4.270 4.120 -0.000 0.000 0.301 94 V C -0.678 175.384 176.094 -0.053 0.000 1.059 94 V CA -0.824 61.387 62.300 -0.147 0.000 0.886 94 V CB 1.819 33.351 31.823 -0.484 0.000 1.007 94 V HN 0.668 nan 8.190 nan 0.000 0.426 95 E N 4.690 124.870 120.200 -0.033 0.000 2.028 95 E HA 0.427 4.777 4.350 -0.000 0.000 0.266 95 E C -0.840 175.758 176.600 -0.002 0.000 0.962 95 E CA -0.442 55.955 56.400 -0.004 0.000 0.784 95 E CB 1.361 31.054 29.700 -0.011 0.000 1.114 95 E HN 0.550 nan 8.360 nan 0.000 0.414 96 L N 3.425 124.676 121.223 0.046 0.000 2.456 96 L HA 0.128 4.468 4.340 -0.000 0.000 0.277 96 L C 0.113 176.978 176.870 -0.007 0.000 1.124 96 L CA 0.353 55.228 54.840 0.057 0.000 0.880 96 L CB 0.038 42.225 42.059 0.213 0.000 1.192 96 L HN 0.371 nan 8.230 nan 0.000 0.463 97 T N 4.191 118.719 114.554 -0.043 0.000 2.812 97 T HA 0.345 4.695 4.350 -0.000 0.000 0.282 97 T C -2.460 172.183 174.700 -0.095 0.000 0.990 97 T CA -1.610 60.450 62.100 -0.067 0.000 0.960 97 T CB 1.851 70.692 68.868 -0.044 0.000 0.948 97 T HN 0.231 nan 8.240 nan 0.000 0.438 98 P HA 0.017 nan 4.420 nan 0.000 0.261 98 P C 0.869 178.065 177.300 -0.173 0.000 1.173 98 P CA 0.187 63.184 63.100 -0.172 0.000 0.760 98 P CB 0.555 32.151 31.700 -0.172 0.000 0.783 99 Q N 3.375 123.051 119.800 -0.207 0.000 2.096 99 Q HA -0.217 4.123 4.340 -0.000 0.000 0.208 99 Q C 2.127 177.805 176.000 -0.537 0.000 0.993 99 Q CA 2.433 58.120 55.803 -0.194 0.000 0.862 99 Q CB -0.818 27.871 28.738 -0.081 0.000 0.915 99 Q HN 0.681 nan 8.270 nan 0.000 0.416 100 G N -0.883 107.134 108.800 -1.305 0.000 2.422 100 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.218 100 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.218 100 G C 1.338 176.096 174.900 -0.236 0.000 1.146 100 G CA 1.263 45.734 45.100 -1.047 0.000 0.769 100 G HN 0.381 nan 8.290 nan 0.000 0.547 101 T N 0.966 115.447 114.554 -0.122 0.000 2.777 101 T HA -0.086 4.264 4.350 -0.000 0.000 0.266 101 T C 2.242 177.012 174.700 0.116 0.000 1.040 101 T CA 1.088 63.237 62.100 0.081 0.000 1.141 101 T CB -0.229 68.668 68.868 0.048 0.000 0.868 101 T HN 0.132 nan 8.240 nan 0.000 0.444 102 L N 1.712 122.983 121.223 0.080 0.000 1.989 102 L HA -0.024 4.316 4.340 -0.000 0.000 0.211 102 L C 2.636 179.675 176.870 0.282 0.000 1.071 102 L CA 2.132 57.071 54.840 0.166 0.000 0.749 102 L CB -1.140 41.004 42.059 0.141 0.000 0.890 102 L HN 0.229 nan 8.230 nan 0.000 0.431 103 A N -0.948 122.044 122.820 0.287 0.000 1.908 103 A HA -0.277 4.043 4.320 -0.000 0.000 0.218 103 A C 2.279 179.854 177.584 -0.016 0.000 1.181 103 A CA 1.959 54.019 52.037 0.039 0.000 0.627 103 A CB -0.768 18.075 19.000 -0.263 0.000 0.818 103 A HN 0.568 nan 8.150 nan 0.000 0.445 104 E N -0.167 120.018 120.200 -0.025 0.000 2.107 104 E HA -0.089 4.261 4.350 -0.000 0.000 0.191 104 E C 2.183 178.743 176.600 -0.066 0.000 0.982 104 E CA 1.143 57.431 56.400 -0.186 0.000 0.809 104 E CB -0.205 29.270 29.700 -0.375 0.000 0.756 104 E HN 0.586 nan 8.360 nan 0.000 0.459 105 R N -0.167 120.466 120.500 0.222 0.000 2.081 105 R HA -0.067 4.272 4.340 -0.000 0.000 0.235 105 R C 2.428 178.811 176.300 0.139 0.000 1.131 105 R CA 1.506 57.783 56.100 0.295 0.000 0.960 105 R CB -0.389 30.042 30.300 0.219 0.000 0.856 105 R HN 0.270 nan 8.270 nan 0.000 0.436 106 I N 0.244 120.875 120.570 0.102 0.000 2.113 106 I HA -0.300 3.870 4.170 -0.000 0.000 0.238 106 I C 2.800 178.926 176.117 0.015 0.000 1.070 106 I CA 1.236 62.577 61.300 0.069 0.000 1.332 106 I CB -0.322 37.739 38.000 0.103 0.000 1.044 106 I HN 0.139 nan 8.210 nan 0.000 0.402 107 R N 1.247 121.727 120.500 -0.033 0.000 2.103 107 R HA -0.252 4.088 4.340 -0.000 0.000 0.242 107 R C 2.300 178.565 176.300 -0.057 0.000 1.142 107 R CA 1.884 57.934 56.100 -0.083 0.000 0.960 107 R CB -0.335 29.879 30.300 -0.143 0.000 0.858 107 R HN 0.406 nan 8.270 nan 0.000 0.439 108 A N 0.254 123.053 122.820 -0.035 0.000 1.908 108 A HA -0.097 4.223 4.320 -0.000 0.000 0.218 108 A C 2.389 180.001 177.584 0.048 0.000 1.181 108 A CA 1.744 53.795 52.037 0.024 0.000 0.627 108 A CB -1.282 17.821 19.000 0.172 0.000 0.818 108 A HN 0.598 nan 8.150 nan 0.000 0.445 109 G N -1.031 107.802 108.800 0.055 0.000 2.462 109 G HA2 0.059 4.019 3.960 -0.000 0.000 0.220 109 G HA3 0.059 4.019 3.960 -0.000 0.000 0.220 109 G C 1.267 176.194 174.900 0.045 0.000 1.121 109 G CA 1.230 46.361 45.100 0.051 0.000 0.758 109 G HN 0.782 nan 8.290 nan 0.000 0.559 110 G N -0.418 108.400 108.800 0.029 0.000 2.887 110 G HA2 0.363 4.323 3.960 -0.000 0.000 0.211 110 G HA3 0.363 4.323 3.960 -0.000 0.000 0.211 110 G C 1.236 176.180 174.900 0.074 0.000 1.152 110 G CA 0.938 46.068 45.100 0.049 0.000 0.769 110 G HN 0.556 nan 8.290 nan 0.000 0.541 111 A N -0.211 122.634 122.820 0.043 0.000 2.465 111 A HA 0.533 4.853 4.320 -0.000 0.000 0.255 111 A C 1.727 179.337 177.584 0.044 0.000 1.274 111 A CA 0.892 52.956 52.037 0.046 0.000 0.920 111 A CB -0.319 18.686 19.000 0.009 0.000 1.033 111 A HN 1.366 nan 8.150 nan 0.000 0.516 112 G N -1.073 107.755 108.800 0.048 0.000 2.160 112 G HA2 -0.185 3.774 3.960 -0.000 0.000 0.251 112 G HA3 -0.185 3.774 3.960 -0.000 0.000 0.251 112 G C 0.042 174.966 174.900 0.039 0.000 1.008 112 G CA 0.305 45.430 45.100 0.042 0.000 0.724 112 G HN 0.864 nan 8.290 nan 0.000 0.514 113 V N 1.944 121.886 119.914 0.046 0.000 2.311 113 V HA 0.350 4.470 4.120 -0.000 0.000 0.275 113 V C -0.235 175.906 176.094 0.077 0.000 1.022 113 V CA -0.667 61.670 62.300 0.062 0.000 0.830 113 V CB 1.696 33.560 31.823 0.068 0.000 1.012 113 V HN 0.186 nan 8.190 nan 0.000 0.452 114 P HA 0.141 nan 4.420 nan 0.000 0.229 114 P C 0.206 177.517 177.300 0.019 0.000 1.160 114 P CA 0.724 63.846 63.100 0.036 0.000 0.777 114 P CB 0.818 32.529 31.700 0.019 0.000 0.814 115 A N -0.624 122.210 122.820 0.024 0.000 2.590 115 A HA 0.591 4.911 4.320 -0.000 0.000 0.296 115 A C -1.452 176.097 177.584 -0.058 0.000 1.050 115 A CA -0.684 51.300 52.037 -0.090 0.000 0.697 115 A CB 0.278 19.163 19.000 -0.191 0.000 1.277 115 A HN 0.095 nan 8.150 nan 0.000 0.411 116 F N -0.866 118.961 119.950 -0.205 0.000 2.685 116 F HA 0.886 5.413 4.527 -0.000 0.000 0.315 116 F C -1.477 174.131 175.800 -0.320 0.000 1.126 116 F CA -1.445 56.430 58.000 -0.208 0.000 0.950 116 F CB 0.735 39.676 39.000 -0.098 0.000 1.360 116 F HN 0.499 nan 8.300 nan 0.000 0.469 117 Y N 0.077 120.383 120.300 0.010 0.000 2.376 117 Y HA 0.660 5.210 4.550 -0.000 0.000 0.325 117 Y C 0.449 176.480 175.900 0.219 0.000 1.199 117 Y CA -0.431 57.676 58.100 0.012 0.000 1.206 117 Y CB 1.980 40.422 38.460 -0.031 0.000 1.229 117 Y HN 0.903 nan 8.280 nan 0.000 0.480 118 T N -0.537 114.311 114.554 0.490 0.000 2.942 118 T HA 0.251 4.601 4.350 -0.000 0.000 0.327 118 T C 0.359 175.395 174.700 0.561 0.000 1.360 118 T CA -0.157 62.273 62.100 0.550 0.000 1.055 118 T CB 0.726 69.868 68.868 0.457 0.000 1.261 118 T HN 0.653 nan 8.240 nan 0.000 0.485 119 S N 1.681 117.665 115.700 0.474 0.000 2.496 119 S HA 0.121 4.591 4.470 -0.000 0.000 0.224 119 S C 0.936 175.635 174.600 0.166 0.000 0.996 119 S CA 0.139 58.422 58.200 0.137 0.000 0.927 119 S CB -0.416 62.706 63.200 -0.130 0.000 0.774 119 S HN 0.770 nan 8.310 nan 0.000 0.524 120 T N 2.592 117.250 114.554 0.173 0.000 2.908 120 T HA 0.431 4.781 4.350 -0.000 0.000 0.301 120 T C 1.391 176.137 174.700 0.078 0.000 1.019 120 T CA 1.003 63.166 62.100 0.105 0.000 1.152 120 T CB 0.241 69.159 68.868 0.083 0.000 0.966 120 T HN 0.891 nan 8.240 nan 0.000 0.540 121 G N 2.500 111.311 108.800 0.018 0.000 2.205 121 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.261 121 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.261 121 G C 0.063 174.983 174.900 0.032 0.000 0.980 121 G CA 0.233 45.319 45.100 -0.023 0.000 0.632 121 G HN 0.864 nan 8.290 nan 0.000 0.533 122 Y N 1.335 121.630 120.300 -0.009 0.000 2.511 122 Y HA 0.366 4.916 4.550 -0.000 0.000 0.332 122 Y C 1.451 177.335 175.900 -0.027 0.000 1.177 122 Y CA 0.678 58.770 58.100 -0.013 0.000 1.422 122 Y CB 0.738 39.182 38.460 -0.026 0.000 1.271 122 Y HN 1.463 nan 8.280 nan 0.000 0.550 123 G N 3.354 111.527 108.800 -1.045 0.000 2.153 123 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.252 123 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.252 123 G C 0.105 174.823 174.900 -0.303 0.000 0.994 123 G CA 0.629 45.238 45.100 -0.818 0.000 0.698 123 G HN 1.237 nan 8.290 nan 0.000 0.521 124 T N -3.254 111.195 114.554 -0.176 0.000 2.883 124 T HA 0.701 5.051 4.350 -0.000 0.000 0.284 124 T C 1.468 176.179 174.700 0.018 0.000 1.041 124 T CA -0.292 61.792 62.100 -0.026 0.000 1.007 124 T CB 1.402 70.241 68.868 -0.049 0.000 1.220 124 T HN 0.188 nan 8.240 nan 0.000 0.552 125 L N 0.802 122.107 121.223 0.138 0.000 2.261 125 L HA -0.078 4.262 4.340 -0.000 0.000 0.216 125 L C 2.659 179.575 176.870 0.077 0.000 1.114 125 L CA 0.669 55.597 54.840 0.146 0.000 0.777 125 L CB -0.638 41.601 42.059 0.300 0.000 0.910 125 L HN 0.579 nan 8.230 nan 0.000 0.440 126 V N -0.470 119.453 119.914 0.016 0.000 2.295 126 V HA -0.300 3.820 4.120 -0.000 0.000 0.246 126 V C 2.459 178.556 176.094 0.005 0.000 1.049 126 V CA 1.929 64.218 62.300 -0.018 0.000 1.024 126 V CB -0.516 31.260 31.823 -0.078 0.000 0.648 126 V HN 0.538 nan 8.190 nan 0.000 0.447 127 Q N 0.079 119.883 119.800 0.006 0.000 2.123 127 Q HA -0.183 4.157 4.340 -0.000 0.000 0.199 127 Q C 2.036 178.054 176.000 0.029 0.000 0.966 127 Q CA 1.710 57.534 55.803 0.035 0.000 0.845 127 Q CB 0.053 28.821 28.738 0.050 0.000 0.907 127 Q HN 0.760 nan 8.270 nan 0.000 0.439 128 E N -0.517 119.689 120.200 0.010 0.000 2.385 128 E HA 0.184 4.534 4.350 -0.000 0.000 0.194 128 E C 0.687 177.301 176.600 0.023 0.000 1.013 128 E CA 0.334 56.742 56.400 0.012 0.000 0.866 128 E CB 0.357 30.055 29.700 -0.003 0.000 0.832 128 E HN 0.475 nan 8.360 nan 0.000 0.500 129 G N -0.415 108.403 108.800 0.031 0.000 2.710 129 G HA2 -0.030 3.930 3.960 -0.000 0.000 0.668 129 G HA3 -0.030 3.930 3.960 -0.000 0.000 0.668 129 G C 0.622 175.546 174.900 0.040 0.000 1.320 129 G CA -0.517 44.601 45.100 0.031 0.000 0.860 129 G HN 0.628 nan 8.290 nan 0.000 0.538 130 G N -1.848 106.971 108.800 0.032 0.000 2.176 130 G HA2 0.061 4.021 3.960 -0.000 0.000 0.253 130 G HA3 0.061 4.021 3.960 -0.000 0.000 0.253 130 G C 0.933 175.860 174.900 0.045 0.000 0.979 130 G CA 1.610 46.729 45.100 0.031 0.000 0.641 130 G HN 2.341 nan 8.290 nan 0.000 0.530 131 S N 2.705 118.450 115.700 0.075 0.000 2.510 131 S HA 0.517 4.987 4.470 -0.000 0.000 0.279 131 S C -1.696 172.928 174.600 0.040 0.000 1.284 131 S CA -0.572 57.700 58.200 0.119 0.000 1.059 131 S CB 0.946 64.254 63.200 0.179 0.000 0.901 131 S HN 0.326 nan 8.310 nan 0.000 0.491 132 P HA 0.134 nan 4.420 nan 0.000 0.270 132 P C 0.306 177.555 177.300 -0.084 0.000 1.242 132 P CA 0.046 63.022 63.100 -0.206 0.000 0.768 132 P CB 0.424 31.772 31.700 -0.587 0.000 0.820 133 I N 2.343 122.873 120.570 -0.066 0.000 2.867 133 I HA 0.097 4.267 4.170 -0.000 0.000 0.265 133 I C 1.289 177.425 176.117 0.031 0.000 1.162 133 I CA 0.863 62.167 61.300 0.008 0.000 1.471 133 I CB 0.139 38.136 38.000 -0.005 0.000 1.123 133 I HN 0.326 nan 8.210 nan 0.000 0.440 134 K N 0.153 120.516 120.400 -0.060 0.000 2.535 134 K HA 0.366 4.686 4.320 -0.000 0.000 0.251 134 K C -1.711 174.823 176.600 -0.109 0.000 0.942 134 K CA -0.554 55.725 56.287 -0.014 0.000 0.798 134 K CB 1.875 34.382 32.500 0.012 0.000 1.267 134 K HN -0.249 nan 8.250 nan 0.000 0.434 135 Y N 1.016 121.325 120.300 0.014 0.000 2.432 135 Y HA 0.374 4.924 4.550 -0.000 0.000 0.322 135 Y C 0.705 176.581 175.900 -0.040 0.000 1.246 135 Y CA -0.485 57.581 58.100 -0.056 0.000 1.268 135 Y CB 1.186 39.555 38.460 -0.153 0.000 1.276 135 Y HN 0.545 nan 8.280 nan 0.000 0.499 136 N N 0.245 119.045 118.700 0.165 0.000 2.477 136 N HA 0.238 4.978 4.740 -0.000 0.000 0.284 136 N C 0.415 175.945 175.510 0.033 0.000 1.182 136 N CA -0.549 52.543 53.050 0.069 0.000 0.949 136 N CB 1.339 39.853 38.487 0.045 0.000 1.204 136 N HN 0.535 nan 8.380 nan 0.000 0.526 137 K N 0.106 120.506 120.400 -0.000 0.000 2.209 137 K HA -0.141 4.179 4.320 -0.000 0.000 0.204 137 K C 0.535 177.101 176.600 -0.057 0.000 1.048 137 K CA 1.305 57.571 56.287 -0.036 0.000 0.940 137 K CB -0.007 32.475 32.500 -0.030 0.000 0.729 137 K HN 0.551 nan 8.250 nan 0.000 0.451 138 D N -0.804 119.574 120.400 -0.036 0.000 2.371 138 D HA -0.033 4.607 4.640 -0.000 0.000 0.221 138 D C 1.147 177.409 176.300 -0.063 0.000 0.986 138 D CA 0.956 54.930 54.000 -0.043 0.000 0.899 138 D CB 0.108 40.894 40.800 -0.023 0.000 0.902 138 D HN 0.269 nan 8.370 nan 0.000 0.530 139 G N -0.272 108.479 108.800 -0.082 0.000 2.195 139 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.224 139 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.224 139 G C 0.445 175.362 174.900 0.027 0.000 0.990 139 G CA 0.320 45.339 45.100 -0.135 0.000 0.639 139 G HN 0.834 nan 8.290 nan 0.000 0.514 140 S N -0.199 115.540 115.700 0.064 0.000 2.624 140 S HA 0.714 5.184 4.470 -0.000 0.000 0.263 140 S C 0.348 175.049 174.600 0.169 0.000 1.287 140 S CA -0.547 57.709 58.200 0.093 0.000 0.990 140 S CB 1.439 64.665 63.200 0.043 0.000 0.950 140 S HN 0.599 nan 8.310 nan 0.000 0.561 141 I N 1.757 122.379 120.570 0.086 0.000 2.315 141 I HA 0.345 4.515 4.170 -0.000 0.000 0.291 141 I C 1.138 177.251 176.117 -0.007 0.000 1.006 141 I CA -0.540 60.759 61.300 -0.001 0.000 1.265 141 I CB 1.274 39.234 38.000 -0.066 0.000 1.387 141 I HN 0.917 nan 8.210 nan 0.000 0.475 142 A N 7.599 130.413 122.820 -0.010 0.000 1.935 142 A HA 0.292 4.612 4.320 -0.000 0.000 0.214 142 A C 0.923 178.498 177.584 -0.015 0.000 1.178 142 A CA 0.946 52.982 52.037 -0.001 0.000 0.640 142 A CB 0.113 19.121 19.000 0.014 0.000 0.825 142 A HN 0.613 nan 8.150 nan 0.000 0.447 143 I N -0.235 120.313 120.570 -0.036 0.000 2.478 143 I HA 0.532 4.702 4.170 -0.000 0.000 0.287 143 I C -0.284 175.805 176.117 -0.046 0.000 1.042 143 I CA -0.569 60.713 61.300 -0.030 0.000 1.067 143 I CB 1.918 39.907 38.000 -0.018 0.000 1.233 143 I HN 0.178 nan 8.210 nan 0.000 0.431 144 A N 4.304 127.107 122.820 -0.029 0.000 2.325 144 A HA 0.728 5.048 4.320 -0.000 0.000 0.333 144 A C 0.181 177.761 177.584 -0.006 0.000 1.155 144 A CA -0.528 51.495 52.037 -0.024 0.000 0.814 144 A CB 1.300 20.291 19.000 -0.015 0.000 1.206 144 A HN 0.772 nan 8.150 nan 0.000 0.482 145 S N 1.883 117.586 115.700 0.006 0.000 2.579 145 S HA 0.303 4.772 4.470 -0.000 0.000 0.275 145 S C -0.082 174.526 174.600 0.013 0.000 1.345 145 S CA -0.294 57.914 58.200 0.014 0.000 1.031 145 S CB 0.360 63.577 63.200 0.028 0.000 0.892 145 S HN 0.545 nan 8.310 nan 0.000 0.529 146 K N 2.258 122.664 120.400 0.009 0.000 2.098 146 K HA 0.487 4.807 4.320 -0.000 0.000 0.261 146 K C -2.374 174.233 176.600 0.012 0.000 0.987 146 K CA -2.344 53.949 56.287 0.009 0.000 0.916 146 K CB 0.404 32.907 32.500 0.005 0.000 1.039 146 K HN 0.539 nan 8.250 nan 0.000 0.455 147 P HA 0.138 nan 4.420 nan 0.000 0.272 147 P C -0.434 176.879 177.300 0.021 0.000 1.230 147 P CA -0.232 62.882 63.100 0.022 0.000 0.788 147 P CB 0.630 32.347 31.700 0.028 0.000 0.949 148 R N 1.232 121.750 120.500 0.031 0.000 2.532 148 R HA 0.312 4.652 4.340 -0.000 0.000 0.295 148 R C 0.368 176.708 176.300 0.067 0.000 0.968 148 R CA -0.777 55.339 56.100 0.027 0.000 0.916 148 R CB 0.753 31.064 30.300 0.017 0.000 1.124 148 R HN 0.531 nan 8.270 nan 0.000 0.463 149 E N 1.123 121.363 120.200 0.066 0.000 2.413 149 E HA 0.112 4.462 4.350 -0.000 0.000 0.263 149 E C -0.261 176.459 176.600 0.200 0.000 1.015 149 E CA -0.107 56.364 56.400 0.117 0.000 0.916 149 E CB 0.891 30.661 29.700 0.116 0.000 0.947 149 E HN 0.095 nan 8.360 nan 0.000 0.440 150 V N 3.149 123.182 119.914 0.199 0.000 2.532 150 V HA 0.478 4.598 4.120 -0.000 0.000 0.295 150 V C 0.011 176.206 176.094 0.168 0.000 1.041 150 V CA -0.506 61.926 62.300 0.221 0.000 0.926 150 V CB 1.583 33.529 31.823 0.205 0.000 0.992 150 V HN 0.631 nan 8.190 nan 0.000 0.457 151 R N 2.551 123.120 120.500 0.115 0.000 2.535 151 R HA 0.406 4.746 4.340 -0.000 0.000 0.274 151 R C -1.153 175.010 176.300 -0.227 0.000 1.090 151 R CA -0.555 55.457 56.100 -0.147 0.000 0.930 151 R CB 1.865 31.936 30.300 -0.381 0.000 1.223 151 R HN 0.823 nan 8.270 nan 0.000 0.441 152 E N 3.837 123.811 120.200 -0.377 0.000 2.259 152 E HA 0.270 4.619 4.350 -0.000 0.000 0.281 152 E C -1.102 175.192 176.600 -0.511 0.000 1.027 152 E CA -0.134 56.042 56.400 -0.373 0.000 0.838 152 E CB 1.055 30.500 29.700 -0.425 0.000 1.066 152 E HN 0.234 nan 8.360 nan 0.000 0.401 153 F N 1.764 121.744 119.950 0.049 0.000 2.529 153 F HA 0.246 4.773 4.527 -0.000 0.000 0.320 153 F C 0.367 176.203 175.800 0.059 0.000 1.118 153 F CA -1.156 56.832 58.000 -0.020 0.000 0.915 153 F CB 1.464 40.337 39.000 -0.212 0.000 1.161 153 F HN 0.377 nan 8.300 nan 0.000 0.445 154 N N 2.130 120.927 118.700 0.161 0.000 2.708 154 N HA -0.235 4.504 4.740 -0.000 0.000 0.251 154 N C 1.071 176.616 175.510 0.058 0.000 1.017 154 N CA 1.140 54.248 53.050 0.096 0.000 0.742 154 N CB -1.056 37.500 38.487 0.114 0.000 0.943 154 N HN 1.188 nan 8.380 nan 0.000 0.539 155 G N -0.704 108.088 108.800 -0.013 0.000 2.162 155 G HA2 -0.363 3.597 3.960 -0.000 0.000 0.260 155 G HA3 -0.363 3.597 3.960 -0.000 0.000 0.260 155 G C -0.162 174.659 174.900 -0.132 0.000 0.976 155 G CA 1.018 46.071 45.100 -0.077 0.000 0.655 155 G HN 0.775 nan 8.290 nan 0.000 0.533 156 Q N -0.536 119.207 119.800 -0.094 0.000 2.399 156 Q HA 0.661 5.001 4.340 -0.000 0.000 0.276 156 Q C -0.740 174.975 176.000 -0.476 0.000 1.098 156 Q CA -0.946 54.700 55.803 -0.262 0.000 0.827 156 Q CB 1.208 29.811 28.738 -0.225 0.000 1.386 156 Q HN 0.513 nan 8.270 nan 0.000 0.443 157 H N 1.244 119.931 119.070 -0.637 0.000 2.489 157 H HA 0.437 4.993 4.556 -0.000 0.000 0.322 157 H C -1.190 173.604 175.328 -0.891 0.000 1.091 157 H CA 0.115 55.711 56.048 -0.754 0.000 1.291 157 H CB 0.629 29.583 29.762 -1.345 0.000 1.436 157 H HN 0.356 nan 8.280 nan 0.000 0.480 158 F N 1.965 121.899 119.950 -0.027 0.000 2.611 158 F HA 0.478 5.005 4.527 -0.000 0.000 0.324 158 F C 0.046 176.001 175.800 0.258 0.000 1.061 158 F CA -1.257 56.834 58.000 0.151 0.000 0.954 158 F CB 1.402 40.566 39.000 0.273 0.000 1.301 158 F HN 0.369 nan 8.300 nan 0.000 0.482 159 I N 0.410 121.275 120.570 0.492 0.000 2.646 159 I HA 0.667 4.837 4.170 -0.000 0.000 0.299 159 I C -1.549 174.685 176.117 0.196 0.000 1.036 159 I CA -1.215 60.291 61.300 0.344 0.000 1.074 159 I CB 2.094 40.220 38.000 0.211 0.000 1.258 159 I HN 0.451 nan 8.210 nan 0.000 0.430 160 L N 4.520 125.734 121.223 -0.015 0.000 2.281 160 L HA 0.446 4.786 4.340 -0.000 0.000 0.285 160 L C -0.297 176.315 176.870 -0.430 0.000 1.074 160 L CA 0.606 55.147 54.840 -0.498 0.000 0.817 160 L CB 0.382 42.151 42.059 -0.483 0.000 1.168 160 L HN 0.584 nan 8.230 nan 0.000 0.434 161 E N 4.508 124.274 120.200 -0.723 0.000 2.212 161 E HA 0.352 4.702 4.350 -0.000 0.000 0.268 161 E C -0.970 175.316 176.600 -0.524 0.000 0.902 161 E CA -0.563 55.481 56.400 -0.594 0.000 0.779 161 E CB 1.739 31.046 29.700 -0.655 0.000 1.172 161 E HN 0.590 nan 8.360 nan 0.000 0.409 162 E N 0.802 120.861 120.200 -0.235 0.000 2.266 162 E HA 0.481 4.831 4.350 -0.000 0.000 0.277 162 E C -0.297 176.301 176.600 -0.004 0.000 1.018 162 E CA -0.745 55.587 56.400 -0.113 0.000 0.840 162 E CB 1.556 31.214 29.700 -0.071 0.000 1.082 162 E HN 0.512 nan 8.360 nan 0.000 0.395 163 A N 3.226 126.076 122.820 0.049 0.000 2.547 163 A HA 0.102 4.422 4.320 -0.000 0.000 0.233 163 A C 0.002 177.625 177.584 0.064 0.000 1.067 163 A CA 0.377 52.471 52.037 0.095 0.000 0.763 163 A CB 0.072 19.119 19.000 0.079 0.000 1.007 163 A HN 0.586 nan 8.150 nan 0.000 0.506 164 I N 1.742 122.356 120.570 0.073 0.000 2.410 164 I HA 0.365 4.535 4.170 -0.000 0.000 0.286 164 I C 0.194 176.342 176.117 0.051 0.000 1.009 164 I CA -0.133 61.200 61.300 0.055 0.000 1.111 164 I CB 1.437 39.473 38.000 0.061 0.000 1.262 164 I HN 0.713 nan 8.210 nan 0.000 0.443 165 R N 3.533 124.058 120.500 0.043 0.000 2.686 165 R HA 0.687 5.027 4.340 -0.000 0.000 0.286 165 R C -0.253 176.072 176.300 0.041 0.000 0.969 165 R CA -0.708 55.417 56.100 0.041 0.000 0.898 165 R CB 2.552 32.875 30.300 0.038 0.000 1.183 165 R HN 0.730 nan 8.270 nan 0.000 0.456 166 G N -0.142 108.684 108.800 0.044 0.000 2.597 166 G HA2 0.142 4.102 3.960 -0.000 0.000 0.317 166 G HA3 0.142 4.102 3.960 -0.000 0.000 0.317 166 G C -0.134 174.797 174.900 0.051 0.000 1.230 166 G CA -0.439 44.697 45.100 0.059 0.000 0.996 166 G HN 0.536 nan 8.290 nan 0.000 0.490 167 D N -0.949 119.512 120.400 0.101 0.000 2.162 167 D HA 0.075 4.715 4.640 -0.000 0.000 0.203 167 D C -0.181 176.055 176.300 -0.107 0.000 0.967 167 D CA 1.281 55.326 54.000 0.074 0.000 0.840 167 D CB 0.242 41.212 40.800 0.284 0.000 0.972 167 D HN 0.146 nan 8.370 nan 0.000 0.482 168 F N -0.546 119.422 119.950 0.030 0.000 2.626 168 F HA 0.558 5.084 4.527 -0.000 0.000 0.311 168 F C -0.544 175.264 175.800 0.013 0.000 1.088 168 F CA -1.286 56.729 58.000 0.025 0.000 0.949 168 F CB 1.942 40.946 39.000 0.008 0.000 1.322 168 F HN -0.312 nan 8.300 nan 0.000 0.461 169 A N 2.540 125.473 122.820 0.187 0.000 2.359 169 A HA 0.827 5.147 4.320 -0.000 0.000 0.303 169 A C -1.657 175.990 177.584 0.105 0.000 1.066 169 A CA -0.573 51.527 52.037 0.105 0.000 0.730 169 A CB 0.929 19.954 19.000 0.043 0.000 1.211 169 A HN 0.720 nan 8.150 nan 0.000 0.439 170 L N 3.465 124.736 121.223 0.081 0.000 2.295 170 L HA 0.499 4.839 4.340 -0.000 0.000 0.281 170 L C -0.870 176.043 176.870 0.073 0.000 1.018 170 L CA -0.721 54.157 54.840 0.062 0.000 0.841 170 L CB 1.253 43.330 42.059 0.030 0.000 1.218 170 L HN 0.416 nan 8.230 nan 0.000 0.424 171 V N 2.935 122.904 119.914 0.091 0.000 2.495 171 V HA 0.406 4.526 4.120 -0.000 0.000 0.298 171 V C -0.045 176.150 176.094 0.168 0.000 1.031 171 V CA -0.773 61.609 62.300 0.137 0.000 0.871 171 V CB 2.221 34.135 31.823 0.151 0.000 0.988 171 V HN 0.546 nan 8.190 nan 0.000 0.432 172 K N 3.796 124.324 120.400 0.214 0.000 2.185 172 K HA 0.862 5.182 4.320 -0.000 0.000 0.269 172 K C -0.606 176.187 176.600 0.321 0.000 0.987 172 K CA -0.006 56.419 56.287 0.230 0.000 0.865 172 K CB 1.500 34.127 32.500 0.212 0.000 1.090 172 K HN 0.915 nan 8.250 nan 0.000 0.450 173 A N 3.286 126.222 122.820 0.193 0.000 2.594 173 A HA 0.452 4.772 4.320 -0.000 0.000 0.291 173 A C -0.669 176.952 177.584 0.062 0.000 1.105 173 A CA -0.795 51.274 52.037 0.054 0.000 0.694 173 A CB 0.147 18.916 19.000 -0.385 0.000 1.291 173 A HN 0.874 nan 8.150 nan 0.000 0.410 174 W N 1.143 122.325 121.300 -0.197 0.000 2.474 174 W HA 0.241 4.901 4.660 -0.000 0.000 0.319 174 W C 0.288 176.745 176.519 -0.105 0.000 1.165 174 W CA 1.492 58.757 57.345 -0.134 0.000 1.356 174 W CB -0.008 29.396 29.460 -0.094 0.000 1.172 174 W HN 0.584 nan 8.180 nan 0.000 0.478 175 K N -0.514 119.791 120.400 -0.159 0.000 2.395 175 K HA 0.675 4.995 4.320 -0.000 0.000 0.247 175 K C -1.188 175.397 176.600 -0.025 0.000 0.973 175 K CA -0.833 55.343 56.287 -0.186 0.000 0.828 175 K CB 2.101 34.455 32.500 -0.243 0.000 1.272 175 K HN -0.116 nan 8.250 nan 0.000 0.439 176 A N 1.412 124.285 122.820 0.087 0.000 2.449 176 A HA 0.485 4.805 4.320 -0.000 0.000 0.302 176 A C -1.399 176.313 177.584 0.213 0.000 1.048 176 A CA -0.804 51.333 52.037 0.167 0.000 0.708 176 A CB 1.046 20.099 19.000 0.089 0.000 1.274 176 A HN 0.818 nan 8.150 nan 0.000 0.410 177 D N 0.500 121.068 120.400 0.281 0.000 2.478 177 D HA 0.270 4.910 4.640 -0.000 0.000 0.263 177 D C 0.596 176.986 176.300 0.149 0.000 1.153 177 D CA -0.433 53.575 54.000 0.013 0.000 1.038 177 D CB 0.442 41.145 40.800 -0.162 0.000 1.120 177 D HN 0.467 nan 8.370 nan 0.000 0.564 178 Q N -0.778 119.041 119.800 0.032 0.000 2.437 178 Q HA 0.013 4.353 4.340 -0.000 0.000 0.210 178 Q C 1.490 177.558 176.000 0.113 0.000 0.972 178 Q CA 1.081 56.877 55.803 -0.011 0.000 0.903 178 Q CB -0.092 28.535 28.738 -0.186 0.000 0.967 178 Q HN 0.618 nan 8.270 nan 0.000 0.486 179 A N -0.247 122.663 122.820 0.150 0.000 2.208 179 A HA 0.292 4.612 4.320 -0.000 0.000 0.209 179 A C 1.491 179.232 177.584 0.262 0.000 1.161 179 A CA 0.813 52.951 52.037 0.169 0.000 0.782 179 A CB -0.049 19.011 19.000 0.099 0.000 0.816 179 A HN 0.425 nan 8.150 nan 0.000 0.477 180 G N -0.851 108.156 108.800 0.344 0.000 2.179 180 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.220 180 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.220 180 G C -0.128 174.855 174.900 0.139 0.000 0.990 180 G CA -0.041 45.181 45.100 0.202 0.000 0.646 180 G HN 0.432 nan 8.290 nan 0.000 0.517 181 N N -0.019 118.795 118.700 0.190 0.000 2.508 181 N HA 0.492 5.231 4.740 -0.000 0.000 0.264 181 N C -0.107 175.471 175.510 0.114 0.000 1.216 181 N CA 0.253 53.404 53.050 0.167 0.000 0.943 181 N CB 1.914 40.556 38.487 0.259 0.000 1.113 181 N HN 0.162 nan 8.380 nan 0.000 0.447 182 V N 0.607 120.463 119.914 -0.097 0.000 2.789 182 V HA 0.536 4.656 4.120 -0.000 0.000 0.311 182 V C -0.002 175.739 176.094 -0.589 0.000 1.073 182 V CA -0.672 61.455 62.300 -0.289 0.000 0.921 182 V CB 2.099 33.795 31.823 -0.211 0.000 1.009 182 V HN 0.896 nan 8.190 nan 0.000 0.426 183 T N 0.842 114.940 114.554 -0.760 0.000 2.906 183 T HA 0.825 5.175 4.350 -0.000 0.000 0.295 183 T C -1.045 173.345 174.700 -0.517 0.000 1.075 183 T CA -0.547 61.134 62.100 -0.699 0.000 1.005 183 T CB 1.789 70.143 68.868 -0.856 0.000 1.136 183 T HN 0.161 nan 8.240 nan 0.000 0.498 184 F N 0.141 120.357 119.950 0.443 0.000 2.556 184 F HA 0.701 5.228 4.527 -0.000 0.000 0.327 184 F C 0.649 176.548 175.800 0.164 0.000 1.059 184 F CA -1.305 56.848 58.000 0.254 0.000 0.953 184 F CB 1.915 40.969 39.000 0.091 0.000 1.227 184 F HN 0.551 nan 8.300 nan 0.000 0.478 185 R N 2.419 122.977 120.500 0.098 0.000 2.295 185 R HA 0.384 4.724 4.340 -0.000 0.000 0.324 185 R C -0.011 176.019 176.300 -0.449 0.000 0.968 185 R CA -0.272 55.613 56.100 -0.359 0.000 0.837 185 R CB 0.575 30.339 30.300 -0.893 0.000 1.133 185 R HN 0.795 nan 8.270 nan 0.000 0.450 186 K N 0.748 120.711 120.400 -0.728 0.000 1.931 186 K HA -0.315 4.005 4.320 -0.000 0.000 0.126 186 K C 0.761 176.695 176.600 -1.109 0.000 1.372 186 K CA 1.963 57.363 56.287 -1.478 0.000 0.483 186 K CB -1.409 30.531 32.500 -0.932 0.000 0.562 186 K HN 0.751 nan 8.250 nan 0.000 0.923 187 S N 0.548 115.837 115.700 -0.685 0.000 2.603 187 S HA 0.207 4.677 4.470 -0.000 0.000 0.220 187 S C 1.565 176.051 174.600 -0.190 0.000 0.967 187 S CA 0.636 58.647 58.200 -0.315 0.000 0.920 187 S CB 0.344 63.454 63.200 -0.151 0.000 0.773 187 S HN 0.588 nan 8.310 nan 0.000 0.529 188 A N 1.799 124.517 122.820 -0.170 0.000 2.168 188 A HA 0.135 4.455 4.320 -0.000 0.000 0.215 188 A C 2.189 179.771 177.584 -0.003 0.000 1.152 188 A CA 0.666 52.685 52.037 -0.030 0.000 0.716 188 A CB -0.572 18.422 19.000 -0.011 0.000 0.794 188 A HN 0.584 nan 8.150 nan 0.000 0.465 189 R N 0.814 121.245 120.500 -0.114 0.000 2.070 189 R HA -0.257 4.083 4.340 -0.000 0.000 0.232 189 R C 1.802 177.867 176.300 -0.392 0.000 1.138 189 R CA 2.045 57.924 56.100 -0.368 0.000 0.936 189 R CB -0.549 29.517 30.300 -0.389 0.000 0.839 189 R HN 0.730 nan 8.270 nan 0.000 0.429 190 N N -0.824 117.716 118.700 -0.266 0.000 1.122 190 N HA -0.353 4.387 4.740 -0.000 0.000 0.145 190 N C 0.991 176.373 175.510 -0.215 0.000 0.360 190 N CA 2.763 55.702 53.050 -0.185 0.000 1.017 190 N CB -1.488 37.043 38.487 0.073 0.000 1.540 190 N HN 0.263 nan 8.380 nan 0.000 0.447 191 F N 0.130 120.029 119.950 -0.086 0.000 2.664 191 F HA 0.280 4.807 4.527 -0.000 0.000 0.296 191 F C 2.169 177.891 175.800 -0.130 0.000 1.125 191 F CA 0.034 57.990 58.000 -0.073 0.000 1.444 191 F CB -0.236 38.770 39.000 0.009 0.000 1.114 191 F HN 0.231 nan 8.300 nan 0.000 0.576 192 N N 0.857 119.549 118.700 -0.013 0.000 2.061 192 N HA -0.237 4.502 4.740 -0.000 0.000 0.193 192 N C 2.106 177.497 175.510 -0.197 0.000 1.030 192 N CA 1.495 54.510 53.050 -0.059 0.000 0.856 192 N CB -0.713 37.776 38.487 0.002 0.000 1.023 192 N HN 0.329 nan 8.380 nan 0.000 0.424 193 L N 2.019 122.896 121.223 -0.577 0.000 1.970 193 L HA -0.101 4.239 4.340 -0.000 0.000 0.212 193 L C -0.709 176.038 176.870 -0.206 0.000 1.071 193 L CA 1.760 56.344 54.840 -0.427 0.000 0.751 193 L CB -1.264 40.467 42.059 -0.547 0.000 0.889 193 L HN 0.143 nan 8.230 nan 0.000 0.432 194 P HA -0.199 nan 4.420 nan 0.000 0.217 194 P C 1.729 178.975 177.300 -0.090 0.000 1.150 194 P CA 1.839 64.847 63.100 -0.155 0.000 0.832 194 P CB -0.152 31.461 31.700 -0.145 0.000 0.787 195 M N -1.051 118.539 119.600 -0.016 0.000 2.374 195 M HA -0.085 4.394 4.480 -0.000 0.000 0.264 195 M C 2.344 178.631 176.300 -0.021 0.000 1.067 195 M CA 1.042 56.352 55.300 0.018 0.000 1.103 195 M CB -1.048 31.594 32.600 0.070 0.000 1.402 195 M HN 0.013 nan 8.290 nan 0.000 0.444 196 C N 1.149 120.424 119.300 -0.042 0.000 2.466 196 C HA -0.053 4.407 4.460 -0.000 0.000 0.283 196 C C 2.054 176.959 174.990 -0.142 0.000 1.472 196 C CA 0.980 59.966 59.018 -0.053 0.000 1.765 196 C CB -1.036 26.721 27.740 0.028 0.000 1.724 196 C HN 0.438 nan 8.230 nan 0.000 0.560 197 K N -0.508 119.772 120.400 -0.200 0.000 2.402 197 K HA 0.262 4.582 4.320 -0.000 0.000 0.203 197 K C 0.867 177.446 176.600 -0.034 0.000 1.077 197 K CA 0.461 56.608 56.287 -0.233 0.000 1.051 197 K CB 0.471 32.640 32.500 -0.553 0.000 0.907 197 K HN 0.243 nan 8.250 nan 0.000 0.554 198 A N 1.433 124.238 122.820 -0.025 0.000 2.793 198 A HA 0.633 4.953 4.320 -0.000 0.000 0.301 198 A C -0.230 177.371 177.584 0.028 0.000 1.172 198 A CA -0.340 51.708 52.037 0.017 0.000 0.973 198 A CB 0.241 19.252 19.000 0.018 0.000 1.164 198 A HN 0.156 nan 8.150 nan 0.000 0.542 199 A N -0.705 122.130 122.820 0.026 0.000 2.498 199 A HA 0.652 4.972 4.320 -0.000 0.000 0.298 199 A C 0.531 178.138 177.584 0.040 0.000 1.075 199 A CA -0.075 51.972 52.037 0.017 0.000 0.714 199 A CB 0.955 19.957 19.000 0.003 0.000 1.299 199 A HN 0.174 nan 8.150 nan 0.000 0.407 200 E N 0.669 120.855 120.200 -0.022 0.000 2.110 200 E HA -0.042 4.308 4.350 -0.000 0.000 0.193 200 E C 0.227 176.816 176.600 -0.018 0.000 0.988 200 E CA 2.265 58.642 56.400 -0.039 0.000 0.804 200 E CB 0.107 29.732 29.700 -0.124 0.000 0.745 200 E HN 0.567 nan 8.360 nan 0.000 0.458 201 T N 0.516 114.969 114.554 -0.168 0.000 2.937 201 T HA 0.355 4.705 4.350 -0.000 0.000 0.297 201 T C -1.063 173.604 174.700 -0.055 0.000 0.991 201 T CA -0.432 61.644 62.100 -0.041 0.000 0.990 201 T CB 1.501 70.011 68.868 -0.597 0.000 0.991 201 T HN 0.139 nan 8.240 nan 0.000 0.440 202 T N 0.373 114.894 114.554 -0.056 0.000 2.795 202 T HA 0.710 5.060 4.350 -0.000 0.000 0.282 202 T C -0.262 174.425 174.700 -0.022 0.000 0.980 202 T CA -0.742 61.277 62.100 -0.134 0.000 1.012 202 T CB 0.958 69.615 68.868 -0.351 0.000 0.936 202 T HN 0.304 nan 8.240 nan 0.000 0.457 203 V N 3.748 123.684 119.914 0.037 0.000 2.407 203 V HA 0.514 4.634 4.120 -0.000 0.000 0.291 203 V C -0.277 175.831 176.094 0.024 0.000 1.018 203 V CA -0.853 61.464 62.300 0.028 0.000 0.842 203 V CB 1.545 33.394 31.823 0.044 0.000 0.996 203 V HN 0.890 nan 8.190 nan 0.000 0.426 204 V N 5.041 124.959 119.914 0.007 0.000 2.459 204 V HA 0.503 4.623 4.120 -0.000 0.000 0.295 204 V C -0.049 176.069 176.094 0.039 0.000 1.029 204 V CA -0.644 61.675 62.300 0.032 0.000 0.874 204 V CB 1.880 33.711 31.823 0.014 0.000 0.985 204 V HN 1.062 nan 8.190 nan 0.000 0.438 205 E N 4.503 124.755 120.200 0.086 0.000 2.179 205 E HA 0.763 5.113 4.350 -0.000 0.000 0.275 205 E C -0.849 175.845 176.600 0.157 0.000 0.945 205 E CA -0.764 55.714 56.400 0.129 0.000 0.792 205 E CB 2.266 32.065 29.700 0.164 0.000 1.125 205 E HN 0.488 nan 8.360 nan 0.000 0.397 206 V N -0.196 119.813 119.914 0.157 0.000 3.074 206 V HA 0.367 4.487 4.120 -0.000 0.000 0.314 206 V C 0.521 176.694 176.094 0.131 0.000 1.117 206 V CA -0.856 61.503 62.300 0.099 0.000 1.014 206 V CB 1.715 33.554 31.823 0.027 0.000 1.057 206 V HN 0.868 nan 8.190 nan 0.000 0.438 207 E N 0.185 120.382 120.200 -0.005 0.000 2.216 207 E HA 0.163 4.513 4.350 -0.000 0.000 0.192 207 E C -0.015 176.609 176.600 0.040 0.000 0.988 207 E CA 0.861 57.245 56.400 -0.026 0.000 0.834 207 E CB 0.362 30.012 29.700 -0.083 0.000 0.772 207 E HN 0.825 nan 8.360 nan 0.000 0.479 208 E N -0.210 119.968 120.200 -0.037 0.000 2.372 208 E HA 0.364 4.714 4.350 -0.000 0.000 0.279 208 E C -1.303 175.264 176.600 -0.055 0.000 0.946 208 E CA -0.401 55.962 56.400 -0.060 0.000 0.769 208 E CB 2.258 31.869 29.700 -0.149 0.000 1.230 208 E HN -0.070 nan 8.360 nan 0.000 0.442 209 I N 2.952 123.513 120.570 -0.015 0.000 2.362 209 I HA 0.352 4.522 4.170 -0.000 0.000 0.289 209 I C -0.174 175.904 176.117 -0.066 0.000 0.994 209 I CA -0.939 60.371 61.300 0.017 0.000 1.158 209 I CB 1.099 39.162 38.000 0.106 0.000 1.315 209 I HN 0.238 nan 8.210 nan 0.000 0.451 210 V N 1.816 121.653 119.914 -0.129 0.000 2.994 210 V HA 0.559 4.678 4.120 -0.000 0.000 0.318 210 V C -0.183 175.770 176.094 -0.236 0.000 1.085 210 V CA -0.959 61.206 62.300 -0.225 0.000 0.998 210 V CB 1.761 33.362 31.823 -0.369 0.000 1.063 210 V HN 0.460 nan 8.190 nan 0.000 0.447 211 D N 1.115 121.375 120.400 -0.234 0.000 2.382 211 D HA 0.322 4.962 4.640 -0.000 0.000 0.240 211 D C 0.322 176.473 176.300 -0.249 0.000 1.146 211 D CA 0.292 54.172 54.000 -0.201 0.000 0.897 211 D CB 0.906 41.608 40.800 -0.163 0.000 1.197 211 D HN 0.568 nan 8.370 nan 0.000 0.432 212 I N 0.712 121.182 120.570 -0.168 0.000 2.710 212 I HA 0.106 4.276 4.170 -0.000 0.000 0.286 212 I C 1.677 177.704 176.117 -0.151 0.000 1.181 212 I CA 0.871 62.089 61.300 -0.137 0.000 1.430 212 I CB 0.398 38.356 38.000 -0.070 0.000 1.367 212 I HN 0.704 nan 8.210 nan 0.000 0.577 213 G N 3.323 112.031 108.800 -0.153 0.000 2.195 213 G HA2 -0.273 3.686 3.960 -0.000 0.000 0.224 213 G HA3 -0.273 3.686 3.960 -0.000 0.000 0.224 213 G C 0.920 175.716 174.900 -0.173 0.000 0.990 213 G CA 0.313 45.342 45.100 -0.119 0.000 0.639 213 G HN 0.571 nan 8.290 nan 0.000 0.514 214 S N -0.130 115.359 115.700 -0.351 0.000 2.453 214 S HA 0.341 4.811 4.470 -0.000 0.000 0.231 214 S C 0.560 174.969 174.600 -0.318 0.000 1.005 214 S CA 0.588 58.541 58.200 -0.412 0.000 0.949 214 S CB -0.025 62.777 63.200 -0.664 0.000 0.774 214 S HN 0.377 nan 8.310 nan 0.000 0.510 215 F N 1.544 121.457 119.950 -0.061 0.000 2.422 215 F HA 0.669 5.196 4.527 -0.000 0.000 0.333 215 F C 0.513 176.294 175.800 -0.032 0.000 1.095 215 F CA -2.373 55.591 58.000 -0.060 0.000 1.038 215 F CB 0.422 39.373 39.000 -0.082 0.000 1.156 215 F HN -0.084 nan 8.300 nan 0.000 0.483 216 A N 4.824 127.759 122.820 0.191 0.000 2.450 216 A HA 0.338 4.658 4.320 -0.000 0.000 0.255 216 A C -1.454 176.195 177.584 0.108 0.000 1.096 216 A CA -1.071 51.031 52.037 0.108 0.000 0.778 216 A CB -0.171 18.882 19.000 0.089 0.000 1.031 216 A HN 0.584 nan 8.150 nan 0.000 0.494 217 P HA -0.174 nan 4.420 nan 0.000 0.218 217 P C 0.605 177.943 177.300 0.063 0.000 1.148 217 P CA 1.374 64.520 63.100 0.076 0.000 0.822 217 P CB 0.254 31.988 31.700 0.057 0.000 0.784 218 E N -0.284 119.951 120.200 0.059 0.000 2.274 218 E HA -0.087 4.263 4.350 -0.000 0.000 0.194 218 E C 0.913 177.554 176.600 0.067 0.000 0.996 218 E CA 0.811 57.245 56.400 0.057 0.000 0.840 218 E CB -0.476 29.254 29.700 0.050 0.000 0.772 218 E HN 0.308 nan 8.360 nan 0.000 0.491 219 D N -0.192 120.242 120.400 0.057 0.000 2.424 219 D HA 0.127 4.767 4.640 -0.000 0.000 0.220 219 D C -0.126 176.090 176.300 -0.141 0.000 1.150 219 D CA -0.024 53.996 54.000 0.034 0.000 0.831 219 D CB 0.336 41.168 40.800 0.053 0.000 0.981 219 D HN 0.177 nan 8.370 nan 0.000 0.500 220 I N 0.720 121.234 120.570 -0.093 0.000 2.371 220 I HA 0.056 4.226 4.170 -0.000 0.000 0.290 220 I C 1.502 177.592 176.117 -0.045 0.000 1.028 220 I CA -0.219 60.942 61.300 -0.232 0.000 1.345 220 I CB 1.006 38.968 38.000 -0.064 0.000 1.407 220 I HN -0.020 nan 8.210 nan 0.000 0.501 221 H N 5.862 124.887 119.070 -0.074 0.000 2.415 221 H HA 0.202 4.758 4.556 -0.000 0.000 0.297 221 H C -0.106 175.296 175.328 0.123 0.000 1.048 221 H CA 0.345 56.436 56.048 0.072 0.000 1.365 221 H CB 0.589 30.482 29.762 0.219 0.000 1.421 221 H HN 0.283 nan 8.280 nan 0.000 0.533 222 I N 1.830 122.531 120.570 0.219 0.000 2.448 222 I HA 0.239 4.409 4.170 -0.000 0.000 0.281 222 I C -2.533 173.703 176.117 0.200 0.000 1.027 222 I CA -3.115 58.317 61.300 0.221 0.000 1.111 222 I CB 1.481 39.625 38.000 0.240 0.000 1.236 222 I HN -0.184 nan 8.210 nan 0.000 0.452 223 P HA 0.096 nan 4.420 nan 0.000 0.269 223 P C 0.874 178.277 177.300 0.172 0.000 1.209 223 P CA -0.235 62.975 63.100 0.183 0.000 0.776 223 P CB 0.641 32.430 31.700 0.148 0.000 0.876 224 K N 3.523 123.985 120.400 0.103 0.000 2.173 224 K HA -0.199 4.120 4.320 -0.000 0.000 0.207 224 K C 1.700 178.335 176.600 0.058 0.000 1.046 224 K CA 1.633 57.975 56.287 0.091 0.000 0.929 224 K CB -0.983 31.573 32.500 0.093 0.000 0.720 224 K HN 0.342 nan 8.250 nan 0.000 0.453 225 I N 0.600 121.146 120.570 -0.040 0.000 2.502 225 I HA -0.289 3.881 4.170 -0.000 0.000 0.258 225 I C 1.187 177.249 176.117 -0.091 0.000 1.172 225 I CA 1.371 62.593 61.300 -0.130 0.000 1.430 225 I CB 0.050 37.860 38.000 -0.316 0.000 1.086 225 I HN 0.173 nan 8.210 nan 0.000 0.440 226 Y N -0.536 119.799 120.300 0.058 0.000 2.500 226 Y HA 0.191 4.741 4.550 -0.000 0.000 0.270 226 Y C 0.761 176.572 175.900 -0.149 0.000 1.134 226 Y CA -0.115 57.976 58.100 -0.015 0.000 1.293 226 Y CB 0.010 38.460 38.460 -0.016 0.000 1.063 226 Y HN -0.193 nan 8.280 nan 0.000 0.534 227 V N 1.203 121.177 119.914 0.101 0.000 2.320 227 V HA 0.088 4.208 4.120 -0.000 0.000 0.265 227 V C 0.387 176.529 176.094 0.081 0.000 1.048 227 V CA -0.305 62.001 62.300 0.009 0.000 0.865 227 V CB 0.097 31.929 31.823 0.016 0.000 1.043 227 V HN 0.473 nan 8.190 nan 0.000 0.474 228 H N 3.290 122.379 119.070 0.032 0.000 2.384 228 H HA 0.231 4.787 4.556 -0.000 0.000 0.300 228 H C 0.688 176.043 175.328 0.044 0.000 1.057 228 H CA 0.404 56.468 56.048 0.028 0.000 1.370 228 H CB 0.428 30.199 29.762 0.015 0.000 1.417 228 H HN 0.421 nan 8.280 nan 0.000 0.527 229 R N 0.849 121.438 120.500 0.148 0.000 2.575 229 R HA 0.478 4.818 4.340 -0.000 0.000 0.293 229 R C -1.786 174.515 176.300 0.002 0.000 0.983 229 R CA -0.685 55.502 56.100 0.145 0.000 0.887 229 R CB 2.784 33.138 30.300 0.090 0.000 1.184 229 R HN 0.018 nan 8.270 nan 0.000 0.445 230 L N 2.506 123.704 121.223 -0.041 0.000 2.408 230 L HA 0.707 5.047 4.340 -0.000 0.000 0.268 230 L C -1.511 175.375 176.870 0.027 0.000 0.986 230 L CA -0.865 53.891 54.840 -0.141 0.000 0.820 230 L CB 2.260 44.035 42.059 -0.474 0.000 1.303 230 L HN 0.442 nan 8.230 nan 0.000 0.411 231 V N 4.531 124.478 119.914 0.056 0.000 2.841 231 V HA 0.455 4.575 4.120 -0.000 0.000 0.310 231 V C -0.905 175.266 176.094 0.128 0.000 1.090 231 V CA -0.767 61.611 62.300 0.130 0.000 0.930 231 V CB 2.181 34.060 31.823 0.092 0.000 1.014 231 V HN 0.855 nan 8.190 nan 0.000 0.425 232 K N 4.536 125.028 120.400 0.154 0.000 2.297 232 K HA 0.555 4.875 4.320 -0.000 0.000 0.286 232 K C 0.324 177.018 176.600 0.158 0.000 1.053 232 K CA 0.082 56.467 56.287 0.162 0.000 0.940 232 K CB 0.940 33.530 32.500 0.150 0.000 1.019 232 K HN 0.960 nan 8.250 nan 0.000 0.475 233 G N 3.215 112.158 108.800 0.238 0.000 2.398 233 G HA2 -0.029 3.931 3.960 -0.000 0.000 0.246 233 G HA3 -0.029 3.931 3.960 -0.000 0.000 0.246 233 G C 0.210 175.104 174.900 -0.010 0.000 1.289 233 G CA -0.292 44.857 45.100 0.081 0.000 0.869 233 G HN 0.901 nan 8.290 nan 0.000 0.543 234 E N 0.637 120.768 120.200 -0.114 0.000 2.122 234 E HA 0.014 4.364 4.350 -0.000 0.000 0.190 234 E C 0.950 177.477 176.600 -0.122 0.000 0.977 234 E CA 0.719 57.080 56.400 -0.066 0.000 0.820 234 E CB 0.246 29.920 29.700 -0.043 0.000 0.770 234 E HN 0.491 nan 8.360 nan 0.000 0.462 235 K N -0.128 120.087 120.400 -0.309 0.000 2.468 235 K HA 0.279 4.599 4.320 -0.000 0.000 0.252 235 K C -1.991 174.294 176.600 -0.525 0.000 0.932 235 K CA -0.524 55.609 56.287 -0.257 0.000 0.794 235 K CB 1.188 33.624 32.500 -0.107 0.000 1.241 235 K HN -0.182 nan 8.250 nan 0.000 0.428 236 Y N 2.220 122.583 120.300 0.105 0.000 2.327 236 Y HA 0.218 4.767 4.550 -0.000 0.000 0.325 236 Y C 0.296 176.266 175.900 0.117 0.000 0.999 236 Y CA -0.641 57.538 58.100 0.131 0.000 1.195 236 Y CB 2.170 40.703 38.460 0.120 0.000 1.132 236 Y HN 0.728 nan 8.280 nan 0.000 0.455 237 E N 1.676 122.035 120.200 0.264 0.000 2.216 237 E HA 0.039 4.388 4.350 -0.000 0.000 0.192 237 E C -0.161 176.488 176.600 0.082 0.000 0.973 237 E CA 0.051 56.525 56.400 0.122 0.000 0.851 237 E CB 0.183 29.907 29.700 0.040 0.000 0.804 237 E HN 0.478 nan 8.360 nan 0.000 0.477 238 K N 2.199 122.715 120.400 0.194 0.000 4.040 238 K HA -0.223 4.097 4.320 -0.000 0.000 0.279 238 K C -0.620 175.954 176.600 -0.045 0.000 0.890 238 K CA 0.208 56.581 56.287 0.145 0.000 0.782 238 K CB -1.102 31.484 32.500 0.143 0.000 1.613 238 K HN 0.183 nan 8.250 nan 0.000 0.440 239 R N 0.572 120.892 120.500 -0.299 0.000 2.756 239 R HA 0.167 4.507 4.340 -0.000 0.000 0.264 239 R C 0.708 176.914 176.300 -0.155 0.000 1.026 239 R CA 0.164 56.054 56.100 -0.351 0.000 1.121 239 R CB 0.380 30.252 30.300 -0.715 0.000 0.999 239 R HN 0.304 nan 8.270 nan 0.000 0.449 240 I N 1.530 122.032 120.570 -0.113 0.000 2.355 240 I HA 0.036 4.205 4.170 -0.000 0.000 0.288 240 I C 1.415 177.499 176.117 -0.055 0.000 0.999 240 I CA -0.113 61.156 61.300 -0.053 0.000 1.163 240 I CB 1.729 39.705 38.000 -0.040 0.000 1.316 240 I HN 0.753 nan 8.210 nan 0.000 0.454 241 E N 6.203 126.387 120.200 -0.026 0.000 2.047 241 E HA -0.011 4.339 4.350 -0.000 0.000 0.191 241 E C 0.224 176.814 176.600 -0.017 0.000 0.987 241 E CA 1.063 57.452 56.400 -0.018 0.000 0.799 241 E CB 0.465 30.169 29.700 0.008 0.000 0.752 241 E HN 0.487 nan 8.360 nan 0.000 0.449 242 R N 0.898 121.391 120.500 -0.012 0.000 2.468 242 R HA 0.267 4.607 4.340 -0.000 0.000 0.302 242 R C -1.398 174.877 176.300 -0.041 0.000 1.041 242 R CA -0.698 55.388 56.100 -0.024 0.000 0.899 242 R CB 1.516 31.809 30.300 -0.012 0.000 1.167 242 R HN 0.056 nan 8.270 nan 0.000 0.483 243 L N 2.370 123.560 121.223 -0.055 0.000 2.325 243 L HA 0.262 4.602 4.340 -0.000 0.000 0.284 243 L C -0.637 176.163 176.870 -0.116 0.000 1.089 243 L CA 0.487 55.288 54.840 -0.065 0.000 0.836 243 L CB 1.134 43.161 42.059 -0.053 0.000 1.184 243 L HN 0.442 nan 8.230 nan 0.000 0.444 244 S N 4.247 119.853 115.700 -0.157 0.000 2.566 244 S HA 0.689 5.159 4.470 -0.000 0.000 0.324 244 S C -0.711 173.762 174.600 -0.211 0.000 1.081 244 S CA -0.535 57.465 58.200 -0.334 0.000 1.105 244 S CB 1.322 64.113 63.200 -0.681 0.000 0.981 244 S HN 0.386 nan 8.310 nan 0.000 0.464 245 V N 4.880 124.699 119.914 -0.158 0.000 2.531 245 V HA 0.532 4.652 4.120 -0.000 0.000 0.301 245 V C 0.112 176.202 176.094 -0.008 0.000 1.034 245 V CA -1.009 61.264 62.300 -0.044 0.000 0.865 245 V CB 1.899 33.703 31.823 -0.032 0.000 0.995 245 V HN 0.887 nan 8.190 nan 0.000 0.424 246 R N 4.019 124.555 120.500 0.059 0.000 2.596 246 R HA 0.784 5.124 4.340 -0.000 0.000 0.267 246 R C -0.689 175.630 176.300 0.032 0.000 1.026 246 R CA -0.818 55.321 56.100 0.066 0.000 1.087 246 R CB 1.778 32.142 30.300 0.106 0.000 1.132 246 R HN 0.568 nan 8.270 nan 0.000 0.531 262 V N 1.564 121.402 119.914 -0.127 0.000 2.453 262 V HA -0.017 4.103 4.120 -0.000 0.000 0.247 262 V C 1.927 177.939 176.094 -0.136 0.000 1.048 262 V CA 1.429 63.627 62.300 -0.170 0.000 1.049 262 V CB -0.229 31.520 31.823 -0.124 0.000 0.672 262 V HN 0.564 nan 8.190 nan 0.000 0.457 263 R N 0.438 120.890 120.500 -0.079 0.000 2.092 263 R HA -0.122 4.218 4.340 -0.000 0.000 0.231 263 R C 2.494 178.761 176.300 -0.056 0.000 1.119 263 R CA 1.782 57.854 56.100 -0.047 0.000 0.970 263 R CB -0.466 29.827 30.300 -0.012 0.000 0.864 263 R HN 0.771 nan 8.270 nan 0.000 0.440 264 E N 1.098 121.258 120.200 -0.066 0.000 2.085 264 E HA -0.246 4.104 4.350 -0.000 0.000 0.194 264 E C 1.981 178.496 176.600 -0.142 0.000 0.994 264 E CA 1.328 57.684 56.400 -0.073 0.000 0.801 264 E CB 0.106 29.767 29.700 -0.065 0.000 0.743 264 E HN 0.218 nan 8.360 nan 0.000 0.453 265 R N -0.057 120.319 120.500 -0.207 0.000 2.075 265 R HA -0.069 4.271 4.340 -0.000 0.000 0.232 265 R C 2.471 178.661 176.300 -0.182 0.000 1.126 265 R CA 1.493 57.424 56.100 -0.281 0.000 0.963 265 R CB -0.184 29.779 30.300 -0.562 0.000 0.858 265 R HN 0.276 nan 8.270 nan 0.000 0.435 266 I N 0.237 120.725 120.570 -0.138 0.000 2.252 266 I HA -0.276 3.893 4.170 -0.000 0.000 0.245 266 I C 2.069 178.152 176.117 -0.056 0.000 1.102 266 I CA 1.264 62.517 61.300 -0.079 0.000 1.385 266 I CB -0.218 37.751 38.000 -0.051 0.000 1.064 266 I HN 0.130 nan 8.210 nan 0.000 0.414 267 I N 0.741 121.282 120.570 -0.048 0.000 2.163 267 I HA -0.327 3.843 4.170 -0.000 0.000 0.243 267 I C 2.431 178.494 176.117 -0.090 0.000 1.085 267 I CA 1.660 62.956 61.300 -0.007 0.000 1.347 267 I CB -0.361 37.673 38.000 0.057 0.000 1.044 267 I HN 0.135 nan 8.210 nan 0.000 0.408 268 K N -0.079 120.192 120.400 -0.215 0.000 2.280 268 K HA -0.199 4.121 4.320 -0.000 0.000 0.202 268 K C 2.171 178.694 176.600 -0.129 0.000 1.047 268 K CA 0.903 57.015 56.287 -0.293 0.000 0.942 268 K CB -0.029 32.289 32.500 -0.303 0.000 0.739 268 K HN 0.069 nan 8.250 nan 0.000 0.457 269 R N 0.732 121.188 120.500 -0.072 0.000 2.128 269 R HA 0.127 4.467 4.340 -0.000 0.000 0.211 269 R C 1.784 178.048 176.300 -0.060 0.000 1.067 269 R CA 1.247 57.325 56.100 -0.038 0.000 1.010 269 R CB -0.500 29.794 30.300 -0.010 0.000 0.922 269 R HN 0.070 nan 8.270 nan 0.000 0.457 270 A N 0.599 123.380 122.820 -0.064 0.000 2.019 270 A HA -0.001 4.319 4.320 -0.000 0.000 0.219 270 A C 2.236 179.718 177.584 -0.170 0.000 1.164 270 A CA 1.584 53.557 52.037 -0.107 0.000 0.644 270 A CB -0.863 18.105 19.000 -0.054 0.000 0.805 270 A HN 0.446 nan 8.150 nan 0.000 0.449 271 A N -0.472 122.340 122.820 -0.014 0.000 2.067 271 A HA 0.091 4.411 4.320 -0.000 0.000 0.219 271 A C 1.876 179.508 177.584 0.080 0.000 1.158 271 A CA 1.108 53.242 52.037 0.162 0.000 0.661 271 A CB -0.456 18.695 19.000 0.251 0.000 0.801 271 A HN 0.480 nan 8.150 nan 0.000 0.452 272 L N -0.484 120.720 121.223 -0.032 0.000 2.599 272 L HA -0.002 4.338 4.340 -0.000 0.000 0.230 272 L C 1.839 178.654 176.870 -0.092 0.000 1.141 272 L CA 0.175 55.002 54.840 -0.022 0.000 0.877 272 L CB -0.198 41.850 42.059 -0.019 0.000 1.009 272 L HN 0.274 nan 8.230 nan 0.000 0.447 273 E N 0.271 120.311 120.200 -0.266 0.000 2.274 273 E HA -0.026 4.324 4.350 -0.000 0.000 0.194 273 E C 0.232 176.669 176.600 -0.271 0.000 0.996 273 E CA 0.387 56.604 56.400 -0.306 0.000 0.840 273 E CB 0.024 29.461 29.700 -0.439 0.000 0.772 273 E HN 0.218 nan 8.360 nan 0.000 0.491 274 F N 2.002 121.954 119.950 0.002 0.000 2.543 274 F HA 0.098 4.625 4.527 -0.000 0.000 0.375 274 F C 1.035 176.820 175.800 -0.024 0.000 1.075 274 F CA 0.185 58.175 58.000 -0.015 0.000 1.225 274 F CB 0.313 39.301 39.000 -0.019 0.000 1.099 274 F HN -0.247 nan 8.300 nan 0.000 0.561 275 E N 0.706 120.998 120.200 0.153 0.000 2.235 275 E HA 0.211 4.561 4.350 -0.000 0.000 0.265 275 E C -1.249 175.363 176.600 0.021 0.000 0.940 275 E CA -1.141 55.297 56.400 0.064 0.000 0.819 275 E CB 1.425 31.148 29.700 0.038 0.000 1.206 275 E HN 0.454 nan 8.360 nan 0.000 0.409 276 D N -0.265 120.129 120.400 -0.011 0.000 2.389 276 D HA 0.233 4.873 4.640 -0.000 0.000 0.247 276 D C 0.831 177.084 176.300 -0.079 0.000 1.128 276 D CA 1.504 55.469 54.000 -0.059 0.000 0.884 276 D CB 0.609 41.385 40.800 -0.041 0.000 1.194 276 D HN 0.573 nan 8.370 nan 0.000 0.441 277 G N 3.159 111.863 108.800 -0.160 0.000 2.179 277 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.260 277 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.260 277 G C 0.526 175.286 174.900 -0.234 0.000 0.977 277 G CA 0.460 45.461 45.100 -0.165 0.000 0.641 277 G HN 0.652 nan 8.290 nan 0.000 0.533 278 M N 0.346 119.829 119.600 -0.196 0.000 2.242 278 M HA 0.618 5.098 4.480 -0.000 0.000 0.344 278 M C -0.471 175.677 176.300 -0.253 0.000 1.140 278 M CA -0.386 54.841 55.300 -0.121 0.000 1.160 278 M CB 0.419 33.033 32.600 0.023 0.000 1.491 278 M HN 0.091 nan 8.290 nan 0.000 0.459 279 Y N 3.275 123.644 120.300 0.116 0.000 2.331 279 Y HA 0.664 5.214 4.550 -0.000 0.000 0.338 279 Y C 0.040 176.004 175.900 0.107 0.000 0.976 279 Y CA -0.484 57.689 58.100 0.121 0.000 1.137 279 Y CB 1.461 39.976 38.460 0.092 0.000 1.172 279 Y HN 0.784 nan 8.280 nan 0.000 0.478 280 A N 3.353 126.305 122.820 0.220 0.000 2.454 280 A HA 0.595 4.915 4.320 -0.000 0.000 0.302 280 A C -1.264 176.413 177.584 0.156 0.000 1.079 280 A CA -0.892 51.264 52.037 0.198 0.000 0.731 280 A CB 1.580 20.751 19.000 0.285 0.000 1.299 280 A HN 0.671 nan 8.150 nan 0.000 0.413 281 N N 1.828 120.608 118.700 0.133 0.000 2.399 281 N HA 0.503 5.243 4.740 -0.000 0.000 0.280 281 N C -1.747 173.827 175.510 0.107 0.000 1.008 281 N CA -0.224 52.882 53.050 0.094 0.000 0.894 281 N CB 0.995 39.521 38.487 0.065 0.000 1.273 281 N HN 0.597 nan 8.380 nan 0.000 0.486 282 L N 2.377 123.660 121.223 0.100 0.000 2.313 282 L HA 0.522 4.862 4.340 -0.000 0.000 0.283 282 L C 1.327 178.249 176.870 0.087 0.000 1.013 282 L CA -0.987 53.921 54.840 0.113 0.000 0.816 282 L CB 1.705 43.847 42.059 0.139 0.000 1.236 282 L HN 0.481 nan 8.230 nan 0.000 0.419 283 G N 2.951 111.803 108.800 0.086 0.000 2.616 283 G HA2 0.465 4.425 3.960 -0.000 0.000 0.268 283 G HA3 0.465 4.425 3.960 -0.000 0.000 0.268 283 G C 0.027 174.973 174.900 0.076 0.000 1.213 283 G CA -0.697 44.449 45.100 0.077 0.000 0.926 283 G HN 0.466 nan 8.290 nan 0.000 0.523 284 I N 0.825 121.437 120.570 0.069 0.000 2.754 284 I HA 0.328 4.498 4.170 -0.000 0.000 0.285 284 I C 1.430 177.591 176.117 0.074 0.000 1.166 284 I CA 1.681 63.024 61.300 0.072 0.000 1.417 284 I CB 0.569 38.603 38.000 0.056 0.000 1.382 284 I HN 0.988 nan 8.210 nan 0.000 0.588 285 G N 4.753 113.603 108.800 0.084 0.000 2.669 285 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.250 285 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.250 285 G C 0.637 175.590 174.900 0.089 0.000 1.247 285 G CA 0.157 45.305 45.100 0.080 0.000 0.958 285 G HN 0.537 nan 8.290 nan 0.000 0.559 286 I N 2.872 123.489 120.570 0.078 0.000 2.163 286 I HA -0.106 4.064 4.170 -0.000 0.000 0.243 286 I C 0.054 176.237 176.117 0.109 0.000 1.085 286 I CA 2.376 63.727 61.300 0.085 0.000 1.347 286 I CB -0.888 37.147 38.000 0.057 0.000 1.044 286 I HN 0.344 nan 8.210 nan 0.000 0.408 287 P HA -0.177 nan 4.420 nan 0.000 0.217 287 P C 1.779 179.187 177.300 0.180 0.000 1.150 287 P CA 1.138 64.319 63.100 0.135 0.000 0.832 287 P CB 0.049 31.814 31.700 0.108 0.000 0.787 288 L N -1.074 120.225 121.223 0.127 0.000 2.093 288 L HA -0.070 4.270 4.340 -0.000 0.000 0.208 288 L C 2.162 179.084 176.870 0.085 0.000 1.085 288 L CA 1.616 56.509 54.840 0.088 0.000 0.755 288 L CB -1.299 40.799 42.059 0.065 0.000 0.904 288 L HN -0.132 nan 8.230 nan 0.000 0.435 289 L N -0.804 120.491 121.223 0.120 0.000 2.083 289 L HA -0.179 4.161 4.340 -0.000 0.000 0.209 289 L C 2.614 179.624 176.870 0.232 0.000 1.083 289 L CA 1.097 56.022 54.840 0.142 0.000 0.752 289 L CB -0.850 41.307 42.059 0.164 0.000 0.899 289 L HN 0.356 nan 8.230 nan 0.000 0.433 290 A N 0.117 123.107 122.820 0.284 0.000 1.933 290 A HA -0.214 4.106 4.320 -0.000 0.000 0.218 290 A C 2.503 180.361 177.584 0.457 0.000 1.175 290 A CA 1.763 54.056 52.037 0.428 0.000 0.628 290 A CB -0.683 18.522 19.000 0.342 0.000 0.814 290 A HN 0.526 nan 8.150 nan 0.000 0.444 291 S N 0.763 116.618 115.700 0.258 0.000 2.440 291 S HA -0.204 4.266 4.470 -0.000 0.000 0.238 291 S C 1.461 175.975 174.600 -0.144 0.000 1.010 291 S CA 1.384 59.517 58.200 -0.113 0.000 0.972 291 S CB -0.736 62.336 63.200 -0.215 0.000 0.774 291 S HN 0.585 nan 8.310 nan 0.000 0.501 292 N N 1.031 119.662 118.700 -0.115 0.000 2.453 292 N HA 0.037 4.777 4.740 -0.000 0.000 0.183 292 N C 0.568 175.789 175.510 -0.483 0.000 1.041 292 N CA 0.976 53.818 53.050 -0.348 0.000 0.900 292 N CB -0.487 37.695 38.487 -0.507 0.000 0.961 292 N HN 0.589 nan 8.380 nan 0.000 0.443 293 F N 0.538 120.494 119.950 0.009 0.000 2.695 293 F HA 0.351 4.878 4.527 -0.000 0.000 0.303 293 F C 0.893 176.706 175.800 0.022 0.000 1.091 293 F CA -0.612 57.404 58.000 0.028 0.000 1.300 293 F CB -0.023 39.016 39.000 0.065 0.000 1.071 293 F HN -0.188 nan 8.300 nan 0.000 0.578 294 I N 0.698 121.319 120.570 0.084 0.000 2.919 294 I HA -0.162 4.008 4.170 -0.000 0.000 0.303 294 I C 1.162 177.278 176.117 -0.001 0.000 1.221 294 I CA 0.223 61.525 61.300 0.003 0.000 1.444 294 I CB 0.335 38.173 38.000 -0.270 0.000 1.331 294 I HN 0.029 nan 8.210 nan 0.000 0.572 295 S N 7.324 123.039 115.700 0.026 0.000 2.568 295 S HA 0.136 4.606 4.470 -0.000 0.000 0.282 295 S C -1.398 173.182 174.600 -0.033 0.000 1.338 295 S CA -1.021 57.185 58.200 0.011 0.000 1.045 295 S CB 0.916 64.128 63.200 0.020 0.000 0.873 295 S HN 0.387 nan 8.310 nan 0.000 0.516 296 P HA 0.021 nan 4.420 nan 0.000 0.222 296 P C 0.286 177.556 177.300 -0.049 0.000 1.147 296 P CA 1.083 64.154 63.100 -0.048 0.000 0.790 296 P CB -0.033 31.646 31.700 -0.035 0.000 0.780 297 N N -1.876 116.803 118.700 -0.036 0.000 2.422 297 N HA 0.073 4.813 4.740 -0.000 0.000 0.181 297 N C 0.659 176.140 175.510 -0.047 0.000 1.080 297 N CA 0.086 53.115 53.050 -0.035 0.000 0.893 297 N CB -0.097 38.378 38.487 -0.020 0.000 0.973 297 N HN 0.166 nan 8.380 nan 0.000 0.456 298 M N 0.867 120.434 119.600 -0.056 0.000 2.233 298 M HA 0.202 4.682 4.480 -0.000 0.000 0.355 298 M C -0.915 175.304 176.300 -0.135 0.000 1.191 298 M CA -0.054 55.202 55.300 -0.073 0.000 1.101 298 M CB 0.970 33.544 32.600 -0.043 0.000 1.592 298 M HN -0.140 nan 8.290 nan 0.000 0.461 299 T N 4.652 119.099 114.554 -0.178 0.000 2.781 299 T HA 0.473 4.823 4.350 -0.000 0.000 0.305 299 T C -0.775 173.642 174.700 -0.473 0.000 1.001 299 T CA -0.419 61.501 62.100 -0.301 0.000 0.950 299 T CB 0.340 69.043 68.868 -0.274 0.000 0.955 299 T HN 0.471 nan 8.240 nan 0.000 0.471 300 V N 5.346 124.969 119.914 -0.485 0.000 2.495 300 V HA 0.360 4.480 4.120 -0.000 0.000 0.298 300 V C -0.348 175.432 176.094 -0.523 0.000 1.031 300 V CA -1.028 60.978 62.300 -0.490 0.000 0.871 300 V CB 1.415 33.003 31.823 -0.391 0.000 0.988 300 V HN 0.775 nan 8.190 nan 0.000 0.432 301 H N 5.382 124.310 119.070 -0.236 0.000 2.556 301 H HA 0.470 5.026 4.556 -0.000 0.000 0.310 301 H C -0.481 174.821 175.328 -0.043 0.000 1.057 301 H CA -0.390 55.565 56.048 -0.156 0.000 1.264 301 H CB 1.357 30.987 29.762 -0.221 0.000 1.404 301 H HN 0.440 nan 8.280 nan 0.000 0.462 302 L N 3.049 124.308 121.223 0.061 0.000 2.276 302 L HA 0.227 4.567 4.340 -0.000 0.000 0.286 302 L C 0.728 177.638 176.870 0.066 0.000 1.061 302 L CA -0.379 54.488 54.840 0.045 0.000 0.807 302 L CB 1.126 43.166 42.059 -0.031 0.000 1.177 302 L HN 0.388 nan 8.230 nan 0.000 0.429 303 Q N 2.363 122.215 119.800 0.087 0.000 2.257 303 Q HA 0.302 4.642 4.340 -0.000 0.000 0.255 303 Q C -1.048 174.953 176.000 0.002 0.000 0.920 303 Q CA -0.134 55.711 55.803 0.071 0.000 0.927 303 Q CB 2.112 30.909 28.738 0.098 0.000 1.229 303 Q HN 0.604 nan 8.270 nan 0.000 0.433 304 S N 2.090 117.753 115.700 -0.061 0.000 2.451 304 S HA 0.105 4.575 4.470 -0.000 0.000 0.301 304 S C 1.004 175.469 174.600 -0.225 0.000 1.116 304 S CA -0.497 57.630 58.200 -0.122 0.000 1.093 304 S CB 0.846 63.963 63.200 -0.138 0.000 1.017 304 S HN 0.705 nan 8.310 nan 0.000 0.482 305 E N 3.787 123.842 120.200 -0.241 0.000 2.209 305 E HA -0.218 4.131 4.350 -0.000 0.000 0.196 305 E C 0.824 177.127 176.600 -0.495 0.000 0.993 305 E CA 1.275 57.432 56.400 -0.406 0.000 0.819 305 E CB -0.475 29.105 29.700 -0.199 0.000 0.745 305 E HN 0.738 nan 8.360 nan 0.000 0.477 306 N N 1.087 119.415 118.700 -0.621 0.000 2.571 306 N HA -0.017 4.723 4.740 -0.000 0.000 0.189 306 N C 0.866 176.038 175.510 -0.564 0.000 1.154 306 N CA 0.991 53.545 53.050 -0.826 0.000 0.907 306 N CB 0.418 38.026 38.487 -1.465 0.000 0.977 306 N HN 0.367 nan 8.380 nan 0.000 0.449 307 G N 0.155 108.597 108.800 -0.596 0.000 2.327 307 G HA2 -0.108 3.852 3.960 -0.000 0.000 0.159 307 G HA3 -0.108 3.852 3.960 -0.000 0.000 0.159 307 G C -0.655 173.484 174.900 -1.269 0.000 1.056 307 G CA -0.374 44.129 45.100 -0.996 0.000 0.751 307 G HN 0.324 nan 8.290 nan 0.000 0.488 308 I N -0.322 119.740 120.570 -0.847 0.000 2.647 308 I HA 0.677 4.847 4.170 -0.000 0.000 0.295 308 I C -0.612 175.374 176.117 -0.218 0.000 1.078 308 I CA -1.356 59.623 61.300 -0.534 0.000 1.048 308 I CB 2.180 40.044 38.000 -0.226 0.000 1.239 308 I HN 0.081 nan 8.210 nan 0.000 0.421 309 L N 5.136 126.295 121.223 -0.106 0.000 2.372 309 L HA 0.808 5.148 4.340 -0.000 0.000 0.273 309 L C 0.181 177.012 176.870 -0.065 0.000 0.989 309 L CA 0.221 55.095 54.840 0.057 0.000 0.841 309 L CB 1.351 43.518 42.059 0.181 0.000 1.225 309 L HN 0.816 nan 8.230 nan 0.000 0.414 310 G N 4.442 113.229 108.800 -0.022 0.000 2.189 310 G HA2 -0.131 3.829 3.960 -0.000 0.000 0.113 310 G HA3 -0.131 3.829 3.960 -0.000 0.000 0.113 310 G C -0.118 174.747 174.900 -0.058 0.000 1.038 310 G CA -0.284 44.802 45.100 -0.024 0.000 0.704 310 G HN 0.610 nan 8.290 nan 0.000 0.490 311 L N 0.165 121.353 121.223 -0.059 0.000 2.554 311 L HA 0.382 4.722 4.340 -0.000 0.000 0.293 311 L C 1.471 178.289 176.870 -0.087 0.000 1.252 311 L CA 1.219 56.016 54.840 -0.072 0.000 0.862 311 L CB 0.400 42.417 42.059 -0.069 0.000 1.113 311 L HN 0.396 nan 8.230 nan 0.000 0.510 312 G N 2.416 111.161 108.800 -0.091 0.000 3.251 312 G HA2 0.638 4.598 3.960 -0.000 0.000 0.248 312 G HA3 0.638 4.598 3.960 -0.000 0.000 0.248 312 G C -2.726 172.082 174.900 -0.153 0.000 1.320 312 G CA -0.700 44.336 45.100 -0.107 0.000 0.982 312 G HN 0.429 nan 8.290 nan 0.000 0.575 313 P HA 0.173 nan 4.420 nan 0.000 0.275 313 P C -0.914 176.296 177.300 -0.149 0.000 1.270 313 P CA -0.299 62.680 63.100 -0.202 0.000 0.791 313 P CB 0.454 32.082 31.700 -0.120 0.000 1.089 314 Y N 0.051 120.334 120.300 -0.028 0.000 2.457 314 Y HA 0.146 4.695 4.550 -0.000 0.000 0.341 314 Y C -1.294 174.596 175.900 -0.017 0.000 1.240 314 Y CA -1.861 56.228 58.100 -0.018 0.000 1.437 314 Y CB -1.026 37.424 38.460 -0.016 0.000 1.328 314 Y HN 0.294 nan 8.280 nan 0.000 0.588 315 P HA 0.130 nan 4.420 nan 0.000 0.274 315 P C -0.589 176.749 177.300 0.063 0.000 1.231 315 P CA -0.176 62.974 63.100 0.084 0.000 0.790 315 P CB 1.082 32.820 31.700 0.062 0.000 0.951 316 L N 1.612 122.858 121.223 0.038 0.000 2.464 316 L HA 0.048 4.388 4.340 -0.000 0.000 0.264 316 L C 2.419 179.300 176.870 0.018 0.000 1.199 316 L CA -0.118 54.737 54.840 0.024 0.000 0.818 316 L CB 0.036 42.105 42.059 0.015 0.000 1.102 316 L HN 0.412 nan 8.230 nan 0.000 0.473 317 Q N 1.957 121.763 119.800 0.010 0.000 2.156 317 Q HA -0.267 4.072 4.340 -0.000 0.000 0.211 317 Q C 1.485 177.488 176.000 0.006 0.000 0.995 317 Q CA 2.412 58.218 55.803 0.005 0.000 0.877 317 Q CB -0.180 28.559 28.738 0.001 0.000 0.920 317 Q HN 0.727 nan 8.270 nan 0.000 0.416 318 N N -0.927 117.777 118.700 0.007 0.000 2.383 318 N HA -0.078 4.662 4.740 -0.000 0.000 0.192 318 N C 0.303 175.817 175.510 0.007 0.000 1.141 318 N CA 0.538 53.592 53.050 0.007 0.000 0.851 318 N CB 0.183 38.674 38.487 0.007 0.000 0.976 318 N HN 0.422 nan 8.380 nan 0.000 0.465 319 E N 0.162 120.369 120.200 0.010 0.000 2.489 319 E HA 0.134 4.484 4.350 -0.000 0.000 0.204 319 E C -0.132 176.475 176.600 0.011 0.000 1.006 319 E CA -0.263 56.144 56.400 0.011 0.000 0.936 319 E CB 1.014 30.725 29.700 0.017 0.000 1.002 319 E HN 0.070 nan 8.360 nan 0.000 0.488 320 V N 2.971 122.892 119.914 0.010 0.000 2.539 320 V HA -0.079 4.041 4.120 -0.000 0.000 0.300 320 V C -0.015 176.079 176.094 -0.001 0.000 1.019 320 V CA 0.856 63.161 62.300 0.008 0.000 1.160 320 V CB 0.143 31.967 31.823 0.001 0.000 0.901 320 V HN 0.159 nan 8.190 nan 0.000 0.481 321 D N 3.859 124.257 120.400 -0.003 0.000 2.763 321 D HA 0.462 5.102 4.640 -0.000 0.000 0.235 321 D C 0.507 176.797 176.300 -0.016 0.000 1.334 321 D CA -0.061 53.926 54.000 -0.021 0.000 0.950 321 D CB 2.118 42.893 40.800 -0.042 0.000 1.433 321 D HN 0.469 nan 8.370 nan 0.000 0.580 322 A N 3.206 126.017 122.820 -0.014 0.000 2.178 322 A HA -0.122 4.198 4.320 -0.000 0.000 0.218 322 A C 1.245 178.829 177.584 0.000 0.000 1.157 322 A CA 1.089 53.128 52.037 0.002 0.000 0.689 322 A CB 0.051 19.057 19.000 0.010 0.000 0.787 322 A HN 0.488 nan 8.150 nan 0.000 0.465 323 D N -1.489 118.882 120.400 -0.047 0.000 2.339 323 D HA 0.142 4.782 4.640 -0.000 0.000 0.217 323 D C -0.237 176.004 176.300 -0.097 0.000 1.050 323 D CA 0.320 54.270 54.000 -0.084 0.000 0.856 323 D CB 0.447 41.137 40.800 -0.184 0.000 0.922 323 D HN 0.309 nan 8.370 nan 0.000 0.518 324 L N 2.091 123.283 121.223 -0.052 0.000 2.384 324 L HA 0.370 4.710 4.340 -0.000 0.000 0.261 324 L C -0.648 176.245 176.870 0.037 0.000 1.024 324 L CA -0.688 54.139 54.840 -0.023 0.000 0.899 324 L CB 0.191 42.244 42.059 -0.010 0.000 1.243 324 L HN -0.110 nan 8.230 nan 0.000 0.449 325 I N 0.625 121.234 120.570 0.064 0.000 2.846 325 I HA 0.713 4.883 4.170 -0.000 0.000 0.307 325 I C -0.393 175.790 176.117 0.111 0.000 1.053 325 I CA -0.936 60.430 61.300 0.110 0.000 1.050 325 I CB 1.980 40.072 38.000 0.153 0.000 1.239 325 I HN 0.492 nan 8.210 nan 0.000 0.439 326 N N 2.730 121.507 118.700 0.130 0.000 2.495 326 N HA 0.409 5.149 4.740 -0.000 0.000 0.294 326 N C 0.799 176.412 175.510 0.171 0.000 1.276 326 N CA -0.161 52.948 53.050 0.098 0.000 0.973 326 N CB 0.314 38.856 38.487 0.093 0.000 1.143 326 N HN 0.780 nan 8.380 nan 0.000 0.589 327 A N -1.100 121.798 122.820 0.129 0.000 1.972 327 A HA 0.070 4.390 4.320 -0.000 0.000 0.219 327 A C 1.797 179.549 177.584 0.281 0.000 1.169 327 A CA 1.525 53.708 52.037 0.243 0.000 0.635 327 A CB -1.525 17.554 19.000 0.132 0.000 0.810 327 A HN 0.787 nan 8.150 nan 0.000 0.446 328 G N -1.248 107.648 108.800 0.159 0.000 3.124 328 G HA2 0.240 4.200 3.960 -0.000 0.000 0.212 328 G HA3 0.240 4.200 3.960 -0.000 0.000 0.212 328 G C 0.590 175.547 174.900 0.095 0.000 1.181 328 G CA 0.375 45.531 45.100 0.092 0.000 0.803 328 G HN 0.538 nan 8.290 nan 0.000 0.529 329 K N -0.646 119.849 120.400 0.159 0.000 3.160 329 K HA -0.175 4.145 4.320 -0.000 0.000 0.280 329 K C -0.153 176.504 176.600 0.094 0.000 1.154 329 K CA 0.909 57.271 56.287 0.124 0.000 0.822 329 K CB -1.162 31.359 32.500 0.035 0.000 1.239 329 K HN 0.565 nan 8.250 nan 0.000 0.489 330 E N 0.918 121.187 120.200 0.114 0.000 2.222 330 E HA 0.174 4.524 4.350 -0.000 0.000 0.272 330 E C 0.275 176.942 176.600 0.112 0.000 0.982 330 E CA -0.529 55.923 56.400 0.085 0.000 0.842 330 E CB 1.087 30.855 29.700 0.112 0.000 1.144 330 E HN 0.214 nan 8.360 nan 0.000 0.397 331 T N -0.888 113.708 114.554 0.070 0.000 2.888 331 T HA 0.325 4.675 4.350 -0.000 0.000 0.301 331 T C 0.396 175.194 174.700 0.164 0.000 1.001 331 T CA -0.761 61.389 62.100 0.083 0.000 1.147 331 T CB 0.279 69.171 68.868 0.040 0.000 0.931 331 T HN 0.303 nan 8.240 nan 0.000 0.541 332 V N -0.181 119.813 119.914 0.134 0.000 3.105 332 V HA 0.999 5.119 4.120 -0.000 0.000 0.311 332 V C 0.040 176.177 176.094 0.072 0.000 1.282 332 V CA -0.559 61.820 62.300 0.132 0.000 1.065 332 V CB 1.403 33.276 31.823 0.083 0.000 1.136 332 V HN 1.312 nan 8.190 nan 0.000 0.469 333 T N -1.347 113.227 114.554 0.035 0.000 2.838 333 T HA 0.852 5.202 4.350 -0.000 0.000 0.292 333 T C -0.564 174.136 174.700 -0.000 0.000 1.113 333 T CA -0.078 62.035 62.100 0.023 0.000 1.008 333 T CB 1.444 70.318 68.868 0.009 0.000 1.259 333 T HN 2.206 nan 8.240 nan 0.000 0.520 334 V N -0.725 119.188 119.914 -0.001 0.000 3.046 334 V HA 0.830 4.950 4.120 -0.000 0.000 0.316 334 V C -0.611 175.458 176.094 -0.041 0.000 1.104 334 V CA -1.325 60.951 62.300 -0.040 0.000 1.006 334 V CB 1.202 32.977 31.823 -0.079 0.000 1.058 334 V HN 1.030 nan 8.190 nan 0.000 0.440 335 L N 1.162 122.353 121.223 -0.053 0.000 2.400 335 L HA 0.604 4.944 4.340 -0.000 0.000 0.264 335 L C -2.179 174.669 176.870 -0.036 0.000 1.061 335 L CA -1.927 52.889 54.840 -0.039 0.000 0.799 335 L CB 1.167 43.207 42.059 -0.032 0.000 1.240 335 L HN 0.443 nan 8.230 nan 0.000 0.461 336 P HA 0.079 nan 4.420 nan 0.000 0.267 336 P C 0.489 177.774 177.300 -0.026 0.000 1.200 336 P CA 0.585 63.673 63.100 -0.019 0.000 0.772 336 P CB 0.567 32.262 31.700 -0.009 0.000 0.855 337 G N 0.586 109.363 108.800 -0.037 0.000 2.148 337 G HA2 -0.131 3.829 3.960 -0.000 0.000 0.254 337 G HA3 -0.131 3.829 3.960 -0.000 0.000 0.254 337 G C 0.458 175.302 174.900 -0.093 0.000 0.981 337 G CA 0.032 45.100 45.100 -0.054 0.000 0.670 337 G HN 0.834 nan 8.290 nan 0.000 0.528 338 A N -0.414 122.337 122.820 -0.116 0.000 2.313 338 A HA 0.901 5.221 4.320 -0.000 0.000 0.261 338 A C 0.775 178.209 177.584 -0.251 0.000 1.090 338 A CA 0.901 52.820 52.037 -0.196 0.000 0.807 338 A CB 0.811 19.657 19.000 -0.258 0.000 1.055 338 A HN 2.065 nan 8.150 nan 0.000 0.492 339 S N -1.149 114.354 115.700 -0.329 0.000 2.607 339 S HA 0.775 5.245 4.470 -0.000 0.000 0.273 339 S C -1.378 172.944 174.600 -0.464 0.000 1.148 339 S CA -0.646 57.395 58.200 -0.265 0.000 0.833 339 S CB 0.873 64.064 63.200 -0.015 0.000 1.130 339 S HN 0.575 nan 8.310 nan 0.000 0.470 340 Y N 0.487 120.766 120.300 -0.035 0.000 2.536 340 Y HA 0.827 5.377 4.550 -0.000 0.000 0.347 340 Y C -0.396 175.413 175.900 -0.152 0.000 1.000 340 Y CA -1.050 56.865 58.100 -0.308 0.000 1.051 340 Y CB 1.698 39.999 38.460 -0.264 0.000 1.259 340 Y HN 0.878 nan 8.280 nan 0.000 0.468 341 F N -2.067 117.853 119.950 -0.050 0.000 2.711 341 F HA 0.722 5.249 4.527 -0.000 0.000 0.313 341 F C -0.382 175.287 175.800 -0.218 0.000 1.141 341 F CA -1.735 56.168 58.000 -0.162 0.000 0.941 341 F CB 0.467 39.361 39.000 -0.177 0.000 1.349 341 F HN 0.354 nan 8.300 nan 0.000 0.464 342 S N -0.246 115.411 115.700 -0.072 0.000 2.608 342 S HA 0.245 4.715 4.470 -0.000 0.000 0.261 342 S C 0.703 175.179 174.600 -0.206 0.000 1.314 342 S CA 0.009 58.071 58.200 -0.230 0.000 0.992 342 S CB 1.150 64.198 63.200 -0.255 0.000 0.935 342 S HN 0.681 nan 8.310 nan 0.000 0.564 343 S N 1.437 116.915 115.700 -0.369 0.000 2.382 343 S HA -0.134 4.336 4.470 -0.000 0.000 0.228 343 S C 1.752 176.230 174.600 -0.203 0.000 1.027 343 S CA 1.367 59.314 58.200 -0.422 0.000 0.991 343 S CB -0.646 61.861 63.200 -1.156 0.000 0.823 343 S HN 0.927 nan 8.310 nan 0.000 0.469 344 D N 1.295 121.545 120.400 -0.250 0.000 2.149 344 D HA -0.141 4.499 4.640 -0.000 0.000 0.201 344 D C 1.791 178.049 176.300 -0.070 0.000 0.972 344 D CA 1.067 54.989 54.000 -0.130 0.000 0.835 344 D CB -0.441 40.257 40.800 -0.170 0.000 0.966 344 D HN 0.366 nan 8.370 nan 0.000 0.476 345 E N 1.172 121.323 120.200 -0.080 0.000 2.106 345 E HA -0.139 4.210 4.350 -0.000 0.000 0.192 345 E C 2.066 178.604 176.600 -0.104 0.000 0.984 345 E CA 1.337 57.681 56.400 -0.094 0.000 0.806 345 E CB -0.421 29.235 29.700 -0.073 0.000 0.750 345 E HN 0.139 nan 8.360 nan 0.000 0.458 346 S N -1.311 114.422 115.700 0.055 0.000 2.382 346 S HA -0.102 4.368 4.470 -0.000 0.000 0.228 346 S C 1.484 175.920 174.600 -0.273 0.000 1.027 346 S CA 1.120 59.336 58.200 0.026 0.000 0.991 346 S CB -0.403 62.759 63.200 -0.063 0.000 0.823 346 S HN 0.369 nan 8.310 nan 0.000 0.469 347 F N 1.235 121.163 119.950 -0.036 0.000 2.664 347 F HA 0.409 4.936 4.527 -0.000 0.000 0.296 347 F C 2.247 178.027 175.800 -0.033 0.000 1.125 347 F CA 0.278 58.263 58.000 -0.026 0.000 1.444 347 F CB -0.475 38.505 39.000 -0.032 0.000 1.114 347 F HN 0.256 nan 8.300 nan 0.000 0.576 348 A N -0.020 122.823 122.820 0.038 0.000 1.872 348 A HA -0.182 4.137 4.320 -0.000 0.000 0.214 348 A C 2.262 179.857 177.584 0.019 0.000 1.187 348 A CA 1.488 53.525 52.037 -0.001 0.000 0.614 348 A CB -0.673 18.280 19.000 -0.078 0.000 0.826 348 A HN 0.369 nan 8.150 nan 0.000 0.442 349 M N -0.469 119.080 119.600 -0.086 0.000 2.086 349 M HA -0.126 4.354 4.480 -0.000 0.000 0.261 349 M C 1.946 178.276 176.300 0.049 0.000 1.067 349 M CA 1.902 57.159 55.300 -0.071 0.000 1.116 349 M CB -0.307 32.083 32.600 -0.351 0.000 1.348 349 M HN 0.422 nan 8.290 nan 0.000 0.407 350 I N -0.480 120.077 120.570 -0.022 0.000 2.202 350 I HA -0.294 3.876 4.170 -0.000 0.000 0.242 350 I C 2.698 178.864 176.117 0.081 0.000 1.091 350 I CA 1.314 62.624 61.300 0.018 0.000 1.368 350 I CB -0.548 37.441 38.000 -0.019 0.000 1.058 350 I HN 0.360 nan 8.210 nan 0.000 0.410 351 R N 1.161 121.738 120.500 0.129 0.000 2.096 351 R HA -0.133 4.206 4.340 -0.000 0.000 0.235 351 R C 2.070 178.416 176.300 0.077 0.000 1.127 351 R CA 1.577 57.758 56.100 0.135 0.000 0.968 351 R CB -0.465 29.936 30.300 0.168 0.000 0.861 351 R HN 0.415 nan 8.270 nan 0.000 0.440 352 G N -0.865 107.968 108.800 0.055 0.000 2.776 352 G HA2 0.055 4.015 3.960 -0.000 0.000 0.209 352 G HA3 0.055 4.015 3.960 -0.000 0.000 0.209 352 G C 0.769 175.476 174.900 -0.323 0.000 1.145 352 G CA 0.399 45.459 45.100 -0.067 0.000 0.791 352 G HN 0.574 nan 8.290 nan 0.000 0.530 353 G N -0.045 108.651 108.800 -0.173 0.000 2.198 353 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.260 353 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.260 353 G C 0.798 175.544 174.900 -0.257 0.000 1.025 353 G CA 0.493 45.488 45.100 -0.175 0.000 0.769 353 G HN 0.613 nan 8.290 nan 0.000 0.507 354 H N -1.269 117.760 119.070 -0.068 0.000 2.535 354 H HA 0.152 4.708 4.556 -0.000 0.000 0.273 354 H C 1.424 176.687 175.328 -0.110 0.000 0.983 354 H CA 0.941 56.915 56.048 -0.124 0.000 1.238 354 H CB 0.446 30.083 29.762 -0.209 0.000 1.412 354 H HN 0.340 nan 8.280 nan 0.000 0.562 355 V N 2.465 122.408 119.914 0.049 0.000 2.488 355 V HA -0.010 4.110 4.120 -0.000 0.000 0.277 355 V C 0.786 176.945 176.094 0.108 0.000 1.046 355 V CA -0.015 62.342 62.300 0.095 0.000 0.986 355 V CB 1.286 33.157 31.823 0.079 0.000 0.989 355 V HN 0.381 nan 8.190 nan 0.000 0.475 356 N N 3.210 122.015 118.700 0.175 0.000 2.207 356 N HA 0.071 4.811 4.740 -0.000 0.000 0.182 356 N C 0.028 175.600 175.510 0.102 0.000 1.020 356 N CA 0.428 53.560 53.050 0.138 0.000 0.858 356 N CB 0.213 38.802 38.487 0.171 0.000 0.991 356 N HN 0.494 nan 8.380 nan 0.000 0.427 357 L N 0.398 121.692 121.223 0.119 0.000 2.438 357 L HA 0.417 4.757 4.340 -0.000 0.000 0.270 357 L C -1.454 175.474 176.870 0.096 0.000 0.972 357 L CA -0.274 54.620 54.840 0.089 0.000 0.831 357 L CB 2.232 44.339 42.059 0.080 0.000 1.273 357 L HN -0.223 nan 8.230 nan 0.000 0.405 358 T N 6.114 120.711 114.554 0.071 0.000 2.791 358 T HA 0.537 4.887 4.350 -0.000 0.000 0.288 358 T C -0.579 174.155 174.700 0.057 0.000 0.999 358 T CA -0.109 62.035 62.100 0.074 0.000 0.952 358 T CB 0.903 69.814 68.868 0.071 0.000 0.938 358 T HN 0.654 nan 8.240 nan 0.000 0.444 359 M N 6.414 126.053 119.600 0.065 0.000 2.181 359 M HA 0.696 5.176 4.480 -0.000 0.000 0.323 359 M C -1.320 175.017 176.300 0.060 0.000 1.004 359 M CA -0.754 54.572 55.300 0.044 0.000 0.941 359 M CB 0.629 33.243 32.600 0.023 0.000 1.579 359 M HN 0.632 nan 8.290 nan 0.000 0.427 360 L N 1.778 123.031 121.223 0.051 0.000 2.403 360 L HA 1.033 5.373 4.340 -0.000 0.000 0.253 360 L C -0.481 176.419 176.870 0.051 0.000 1.045 360 L CA -1.010 53.866 54.840 0.060 0.000 0.845 360 L CB 1.417 43.518 42.059 0.071 0.000 1.447 360 L HN 0.678 nan 8.230 nan 0.000 0.411 361 G N -0.455 108.378 108.800 0.055 0.000 2.522 361 G HA2 0.764 4.724 3.960 -0.000 0.000 0.304 361 G HA3 0.764 4.724 3.960 -0.000 0.000 0.304 361 G C -0.952 173.979 174.900 0.051 0.000 1.210 361 G CA -0.052 45.076 45.100 0.047 0.000 0.960 361 G HN 1.176 nan 8.290 nan 0.000 0.497 362 A N -0.265 122.579 122.820 0.040 0.000 2.609 362 A HA 0.623 4.943 4.320 -0.000 0.000 0.291 362 A C 0.420 178.021 177.584 0.028 0.000 1.096 362 A CA -0.592 51.471 52.037 0.043 0.000 0.684 362 A CB 1.170 20.189 19.000 0.032 0.000 1.282 362 A HN 0.557 nan 8.150 nan 0.000 0.412 363 M N -0.465 119.152 119.600 0.029 0.000 2.545 363 M HA 0.163 4.643 4.480 -0.000 0.000 0.264 363 M C 0.096 176.397 176.300 0.002 0.000 1.155 363 M CA 1.159 56.466 55.300 0.013 0.000 1.162 363 M CB 0.291 32.895 32.600 0.007 0.000 1.330 363 M HN 0.715 nan 8.290 nan 0.000 0.479 364 Q N -0.197 119.605 119.800 0.004 0.000 2.391 364 Q HA 0.577 4.917 4.340 -0.000 0.000 0.279 364 Q C -1.563 174.430 176.000 -0.011 0.000 1.028 364 Q CA -0.605 55.193 55.803 -0.009 0.000 0.836 364 Q CB 3.593 32.329 28.738 -0.004 0.000 1.414 364 Q HN -0.067 nan 8.270 nan 0.000 0.397 365 V N 1.104 120.993 119.914 -0.042 0.000 2.789 365 V HA 0.602 4.722 4.120 -0.000 0.000 0.311 365 V C -0.324 175.725 176.094 -0.076 0.000 1.073 365 V CA -0.646 61.626 62.300 -0.048 0.000 0.921 365 V CB 2.038 33.820 31.823 -0.068 0.000 1.009 365 V HN 0.916 nan 8.190 nan 0.000 0.426 366 S N 3.002 118.669 115.700 -0.055 0.000 2.713 366 S HA 0.444 4.913 4.470 -0.000 0.000 0.283 366 S C 0.946 175.467 174.600 -0.132 0.000 1.161 366 S CA -0.410 57.750 58.200 -0.067 0.000 0.999 366 S CB 1.536 64.736 63.200 -0.000 0.000 1.039 366 S HN 0.684 nan 8.310 nan 0.000 0.548 367 K N -0.227 120.055 120.400 -0.196 0.000 2.044 367 K HA -0.145 4.175 4.320 -0.000 0.000 0.210 367 K C 0.697 177.023 176.600 -0.457 0.000 1.049 367 K CA 1.873 57.922 56.287 -0.395 0.000 0.927 367 K CB -0.388 31.780 32.500 -0.553 0.000 0.713 367 K HN 0.774 nan 8.250 nan 0.000 0.443 368 Y N -0.835 119.446 120.300 -0.031 0.000 2.493 368 Y HA 0.211 4.761 4.550 -0.000 0.000 0.275 368 Y C 1.114 177.009 175.900 -0.007 0.000 1.183 368 Y CA 0.333 58.426 58.100 -0.012 0.000 1.258 368 Y CB 0.980 39.439 38.460 -0.001 0.000 1.108 368 Y HN 0.319 nan 8.280 nan 0.000 0.521 369 G N -0.595 108.240 108.800 0.057 0.000 2.163 369 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.213 369 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.213 369 G C -0.301 174.630 174.900 0.051 0.000 0.991 369 G CA -0.290 44.838 45.100 0.047 0.000 0.653 369 G HN 0.234 nan 8.290 nan 0.000 0.518 370 D N -0.108 120.324 120.400 0.055 0.000 2.382 370 D HA 0.508 5.148 4.640 -0.000 0.000 0.240 370 D C 0.304 176.628 176.300 0.039 0.000 1.146 370 D CA 0.245 54.273 54.000 0.047 0.000 0.897 370 D CB 1.813 42.638 40.800 0.042 0.000 1.197 370 D HN 0.385 nan 8.370 nan 0.000 0.432 371 L N 0.390 121.646 121.223 0.055 0.000 2.408 371 L HA 0.641 4.981 4.340 -0.000 0.000 0.268 371 L C -1.494 175.439 176.870 0.104 0.000 0.986 371 L CA -0.827 54.052 54.840 0.066 0.000 0.820 371 L CB 1.857 43.958 42.059 0.071 0.000 1.303 371 L HN 0.364 nan 8.230 nan 0.000 0.411 372 A N 3.782 126.660 122.820 0.097 0.000 2.363 372 A HA 0.690 5.010 4.320 -0.000 0.000 0.296 372 A C -0.446 177.210 177.584 0.121 0.000 1.237 372 A CA -0.213 51.897 52.037 0.122 0.000 0.773 372 A CB 0.141 19.171 19.000 0.051 0.000 1.153 372 A HN 0.840 nan 8.150 nan 0.000 0.473 373 N N 1.264 120.093 118.700 0.216 0.000 2.261 373 N HA -0.010 4.730 4.740 -0.000 0.000 0.241 373 N C 0.085 175.755 175.510 0.267 0.000 1.374 373 N CA 0.030 53.188 53.050 0.179 0.000 0.802 373 N CB -0.153 38.426 38.487 0.153 0.000 1.339 373 N HN 0.812 nan 8.380 nan 0.000 0.498 374 W N -0.115 121.224 121.300 0.065 0.000 2.413 374 W HA 0.565 5.225 4.660 -0.000 0.000 0.288 374 W C -0.719 175.859 176.519 0.098 0.000 0.958 374 W CA -0.357 57.042 57.345 0.090 0.000 1.333 374 W CB 0.263 29.779 29.460 0.092 0.000 1.002 374 W HN -0.034 nan 8.180 nan 0.000 0.562 375 M N 1.743 120.954 119.600 -0.648 0.000 2.414 375 M HA 0.483 4.963 4.480 -0.000 0.000 0.287 375 M C -2.437 173.615 176.300 -0.415 0.000 1.181 375 M CA -0.422 54.473 55.300 -0.675 0.000 0.933 375 M CB 2.449 34.212 32.600 -1.395 0.000 1.732 375 M HN -0.086 nan 8.290 nan 0.000 0.486 376 I N 5.075 125.500 120.570 -0.241 0.000 2.448 376 I HA 0.391 4.561 4.170 -0.000 0.000 0.281 376 I C -2.365 173.673 176.117 -0.131 0.000 1.027 376 I CA -1.906 59.303 61.300 -0.153 0.000 1.111 376 I CB 1.870 39.816 38.000 -0.089 0.000 1.236 376 I HN 0.427 nan 8.210 nan 0.000 0.452 377 P HA 0.008 nan 4.420 nan 0.000 0.261 377 P C 0.985 178.242 177.300 -0.072 0.000 1.183 377 P CA 0.907 63.960 63.100 -0.079 0.000 0.761 377 P CB 0.527 32.191 31.700 -0.061 0.000 0.785 378 G N 2.909 111.660 108.800 -0.081 0.000 2.168 378 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.263 378 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.263 378 G C 0.865 175.695 174.900 -0.115 0.000 0.977 378 G CA 0.632 45.653 45.100 -0.132 0.000 0.659 378 G HN 0.563 nan 8.290 nan 0.000 0.533 379 K N -1.897 118.452 120.400 -0.085 0.000 2.556 379 K HA 0.398 4.718 4.320 -0.000 0.000 0.201 379 K C -0.059 176.517 176.600 -0.039 0.000 1.423 379 K CA 0.180 56.429 56.287 -0.062 0.000 1.010 379 K CB 0.810 33.280 32.500 -0.051 0.000 1.409 379 K HN 0.329 nan 8.250 nan 0.000 0.538 380 L N 1.655 122.855 121.223 -0.038 0.000 2.518 380 L HA 0.292 4.632 4.340 -0.000 0.000 0.262 380 L C -1.411 175.459 176.870 -0.001 0.000 0.982 380 L CA -0.567 54.270 54.840 -0.004 0.000 0.873 380 L CB 1.933 43.990 42.059 -0.002 0.000 1.198 380 L HN -0.094 nan 8.230 nan 0.000 0.427 381 V N 1.528 121.484 119.914 0.069 0.000 2.462 381 V HA 0.510 4.630 4.120 -0.000 0.000 0.257 381 V C 0.271 176.524 176.094 0.264 0.000 0.944 381 V CA -0.336 62.055 62.300 0.152 0.000 0.903 381 V CB 0.437 32.377 31.823 0.195 0.000 1.128 381 V HN 0.721 nan 8.190 nan 0.000 0.486 382 K N 2.329 122.840 120.400 0.186 0.000 2.374 382 K HA 0.618 4.938 4.320 -0.000 0.000 0.202 382 K C 0.853 177.485 176.600 0.052 0.000 1.040 382 K CA 0.320 56.624 56.287 0.029 0.000 1.085 382 K CB 1.281 33.706 32.500 -0.126 0.000 0.873 382 K HN 1.159 nan 8.250 nan 0.000 0.539 383 G N 2.056 111.054 108.800 0.330 0.000 2.619 383 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.686 383 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.686 383 G C 0.110 175.352 174.900 0.570 0.000 1.256 383 G CA -0.306 45.050 45.100 0.427 0.000 0.826 383 G HN 0.075 nan 8.290 nan 0.000 0.619 384 M N 0.938 120.754 119.600 0.360 0.000 2.428 384 M HA 0.386 4.866 4.480 -0.000 0.000 0.239 384 M C 1.513 177.894 176.300 0.134 0.000 1.121 384 M CA 1.652 57.068 55.300 0.193 0.000 1.019 384 M CB -1.213 31.122 32.600 -0.441 0.000 1.485 384 M HN 2.707 nan 8.290 nan 0.000 0.484 385 G N 2.074 110.990 108.800 0.194 0.000 2.685 385 G HA2 -0.363 3.597 3.960 -0.000 0.000 0.329 385 G HA3 -0.363 3.597 3.960 -0.000 0.000 0.329 385 G C 0.728 175.708 174.900 0.133 0.000 1.271 385 G CA 0.777 45.986 45.100 0.181 0.000 1.003 385 G HN 0.826 nan 8.290 nan 0.000 0.549 386 G N -0.145 108.780 108.800 0.208 0.000 3.159 386 G HA2 0.559 4.519 3.960 -0.000 0.000 0.232 386 G HA3 0.559 4.519 3.960 -0.000 0.000 0.232 386 G C 1.676 176.700 174.900 0.206 0.000 1.116 386 G CA 1.644 46.908 45.100 0.274 0.000 0.767 386 G HN 1.584 nan 8.290 nan 0.000 0.547 387 A N 1.161 124.055 122.820 0.123 0.000 1.948 387 A HA -0.103 4.217 4.320 -0.000 0.000 0.220 387 A C 2.316 179.932 177.584 0.053 0.000 1.177 387 A CA 1.642 53.737 52.037 0.098 0.000 0.636 387 A CB -0.349 18.713 19.000 0.103 0.000 0.815 387 A HN 0.404 nan 8.150 nan 0.000 0.449 388 M N -0.736 118.845 119.600 -0.033 0.000 2.229 388 M HA -0.125 4.355 4.480 -0.000 0.000 0.264 388 M C 1.295 177.614 176.300 0.031 0.000 1.063 388 M CA 1.437 56.704 55.300 -0.055 0.000 1.114 388 M CB -0.488 32.011 32.600 -0.169 0.000 1.387 388 M HN 0.420 nan 8.290 nan 0.000 0.420 389 D N 0.488 120.938 120.400 0.083 0.000 2.137 389 D HA -0.039 4.601 4.640 -0.000 0.000 0.202 389 D C 2.086 178.515 176.300 0.215 0.000 0.970 389 D CA 1.096 55.207 54.000 0.185 0.000 0.837 389 D CB -0.053 40.937 40.800 0.316 0.000 0.981 389 D HN 0.345 nan 8.370 nan 0.000 0.475 390 L N 1.157 122.511 121.223 0.218 0.000 2.187 390 L HA -0.131 4.209 4.340 -0.000 0.000 0.213 390 L C 2.172 179.107 176.870 0.108 0.000 1.100 390 L CA 0.809 55.742 54.840 0.154 0.000 0.765 390 L CB -0.106 42.038 42.059 0.142 0.000 0.904 390 L HN 0.027 nan 8.230 nan 0.000 0.437 391 V N -5.052 114.920 119.914 0.097 0.000 3.376 391 V HA 0.155 4.275 4.120 -0.000 0.000 0.313 391 V C 1.812 177.950 176.094 0.074 0.000 1.393 391 V CA 0.474 62.821 62.300 0.077 0.000 1.125 391 V CB 0.163 32.027 31.823 0.069 0.000 1.037 391 V HN 0.348 nan 8.190 nan 0.000 0.440 392 S N -0.335 115.418 115.700 0.088 0.000 2.527 392 S HA 0.132 4.602 4.470 -0.000 0.000 0.222 392 S C 1.057 175.700 174.600 0.072 0.000 0.985 392 S CA 0.674 58.925 58.200 0.085 0.000 0.921 392 S CB -0.124 63.143 63.200 0.112 0.000 0.772 392 S HN 0.676 nan 8.310 nan 0.000 0.529 393 S N -0.042 115.698 115.700 0.066 0.000 2.451 393 S HA 0.734 5.204 4.470 -0.000 0.000 0.301 393 S C 0.965 175.585 174.600 0.034 0.000 1.116 393 S CA -0.237 57.992 58.200 0.048 0.000 1.093 393 S CB 1.324 64.543 63.200 0.033 0.000 1.017 393 S HN 0.463 nan 8.310 nan 0.000 0.482 394 A N 5.181 128.017 122.820 0.026 0.000 1.929 394 A HA 0.035 4.355 4.320 -0.000 0.000 0.216 394 A C 1.928 179.523 177.584 0.019 0.000 1.176 394 A CA 1.039 53.091 52.037 0.024 0.000 0.628 394 A CB -0.411 18.601 19.000 0.021 0.000 0.816 394 A HN 0.910 nan 8.150 nan 0.000 0.444 395 K N -0.120 120.283 120.400 0.006 0.000 2.211 395 K HA -0.062 4.258 4.320 -0.000 0.000 0.204 395 K C 0.043 176.646 176.600 0.006 0.000 1.047 395 K CA 1.101 57.385 56.287 -0.006 0.000 0.935 395 K CB -0.376 32.099 32.500 -0.042 0.000 0.728 395 K HN 0.381 nan 8.250 nan 0.000 0.452 396 T N 1.962 116.524 114.554 0.014 0.000 2.869 396 T HA 0.082 4.432 4.350 -0.000 0.000 0.295 396 T C -0.135 174.587 174.700 0.037 0.000 0.987 396 T CA -0.427 61.692 62.100 0.031 0.000 1.109 396 T CB 1.390 70.281 68.868 0.038 0.000 0.932 396 T HN 0.052 nan 8.240 nan 0.000 0.518 397 K N 3.267 123.691 120.400 0.040 0.000 2.316 397 K HA 0.348 4.668 4.320 -0.000 0.000 0.289 397 K C -0.989 175.631 176.600 0.034 0.000 1.070 397 K CA -0.461 55.847 56.287 0.034 0.000 0.928 397 K CB 0.316 32.833 32.500 0.028 0.000 1.039 397 K HN 0.326 nan 8.250 nan 0.000 0.480 398 V N 5.417 125.351 119.914 0.034 0.000 2.370 398 V HA 0.254 4.374 4.120 -0.000 0.000 0.283 398 V C -0.334 175.774 176.094 0.023 0.000 1.023 398 V CA -0.917 61.404 62.300 0.035 0.000 0.857 398 V CB 1.386 33.236 31.823 0.044 0.000 0.985 398 V HN 0.500 nan 8.190 nan 0.000 0.443 399 V N 5.770 125.692 119.914 0.012 0.000 2.459 399 V HA 0.472 4.592 4.120 -0.000 0.000 0.295 399 V C -0.022 176.077 176.094 0.007 0.000 1.029 399 V CA -0.604 61.695 62.300 -0.002 0.000 0.874 399 V CB 2.002 33.801 31.823 -0.039 0.000 0.985 399 V HN 0.598 nan 8.190 nan 0.000 0.438 400 V N 4.193 124.113 119.914 0.010 0.000 2.472 400 V HA 0.641 4.761 4.120 -0.000 0.000 0.290 400 V C 0.281 176.379 176.094 0.006 0.000 1.037 400 V CA -0.261 62.047 62.300 0.014 0.000 0.908 400 V CB 2.268 34.098 31.823 0.011 0.000 0.985 400 V HN 1.053 nan 8.190 nan 0.000 0.454 401 T N 3.846 118.405 114.554 0.009 0.000 2.840 401 T HA 0.833 5.183 4.350 -0.000 0.000 0.287 401 T C -0.792 173.912 174.700 0.006 0.000 0.991 401 T CA -0.687 61.415 62.100 0.004 0.000 0.964 401 T CB 1.306 70.178 68.868 0.006 0.000 0.954 401 T HN 0.831 nan 8.240 nan 0.000 0.438 402 M N 0.307 119.906 119.600 -0.003 0.000 2.643 402 M HA 0.610 5.090 4.480 -0.000 0.000 0.276 402 M C -1.286 175.009 176.300 -0.008 0.000 1.200 402 M CA -0.926 54.371 55.300 -0.005 0.000 0.863 402 M CB 1.659 34.252 32.600 -0.012 0.000 1.711 402 M HN 0.447 nan 8.290 nan 0.000 0.492 403 E N 0.939 121.139 120.200 -0.001 0.000 2.437 403 E HA -0.034 4.316 4.350 -0.000 0.000 0.263 403 E C 0.285 176.900 176.600 0.025 0.000 1.030 403 E CA 0.524 56.933 56.400 0.015 0.000 0.934 403 E CB 0.646 30.355 29.700 0.014 0.000 0.943 403 E HN 0.743 nan 8.360 nan 0.000 0.444 404 H N 1.208 120.281 119.070 0.005 0.000 2.319 404 H HA -0.075 4.481 4.556 -0.000 0.000 0.299 404 H C -0.064 175.294 175.328 0.050 0.000 1.092 404 H CA 1.819 57.887 56.048 0.035 0.000 1.302 404 H CB 0.429 30.213 29.762 0.036 0.000 1.373 404 H HN 0.247 nan 8.280 nan 0.000 0.497 405 S N -1.679 114.115 115.700 0.156 0.000 2.697 405 S HA 0.724 5.193 4.470 -0.000 0.000 0.289 405 S C -0.939 173.693 174.600 0.053 0.000 1.149 405 S CA -0.549 57.719 58.200 0.113 0.000 0.850 405 S CB 1.997 65.299 63.200 0.169 0.000 1.151 405 S HN 0.499 nan 8.310 nan 0.000 0.491 406 A N 0.920 123.758 122.820 0.030 0.000 2.279 406 A HA 0.643 4.963 4.320 -0.000 0.000 0.303 406 A C 0.060 177.644 177.584 -0.001 0.000 1.108 406 A CA -0.604 51.438 52.037 0.009 0.000 0.830 406 A CB 0.194 19.194 19.000 -0.000 0.000 1.106 406 A HN 0.777 nan 8.150 nan 0.000 0.493 407 K N 0.093 120.490 120.400 -0.004 0.000 2.569 407 K HA 0.181 4.501 4.320 -0.000 0.000 0.280 407 K C 1.065 177.655 176.600 -0.018 0.000 0.984 407 K CA 1.530 57.812 56.287 -0.008 0.000 1.064 407 K CB -0.254 32.241 32.500 -0.008 0.000 0.866 407 K HN 1.873 nan 8.250 nan 0.000 0.492 408 G N 3.313 112.102 108.800 -0.018 0.000 2.136 408 G HA2 -0.346 3.614 3.960 -0.000 0.000 0.242 408 G HA3 -0.346 3.614 3.960 -0.000 0.000 0.242 408 G C 0.268 175.142 174.900 -0.043 0.000 0.989 408 G CA 0.509 45.592 45.100 -0.028 0.000 0.682 408 G HN 1.065 nan 8.290 nan 0.000 0.522 409 N N -1.886 116.796 118.700 -0.031 0.000 2.725 409 N HA -0.074 4.666 4.740 -0.000 0.000 0.249 409 N C 0.642 176.081 175.510 -0.118 0.000 1.103 409 N CA 2.036 55.064 53.050 -0.037 0.000 0.707 409 N CB -1.217 37.252 38.487 -0.031 0.000 1.043 409 N HN 2.005 nan 8.380 nan 0.000 0.553 410 A N 0.546 123.308 122.820 -0.097 0.000 2.440 410 A HA 0.307 4.627 4.320 -0.000 0.000 0.251 410 A C 0.107 177.643 177.584 -0.080 0.000 1.089 410 A CA -0.139 51.811 52.037 -0.144 0.000 0.779 410 A CB 0.163 19.122 19.000 -0.068 0.000 1.022 410 A HN 0.443 nan 8.150 nan 0.000 0.492 411 H N 1.624 120.709 119.070 0.026 0.000 2.928 411 H HA 0.112 4.668 4.556 -0.000 0.000 0.338 411 H C 0.589 175.911 175.328 -0.010 0.000 1.047 411 H CA 0.521 56.581 56.048 0.020 0.000 1.435 411 H CB 0.886 30.659 29.762 0.019 0.000 1.428 411 H HN 0.746 nan 8.280 nan 0.000 0.590 412 K N 2.118 122.580 120.400 0.103 0.000 2.435 412 K HA 0.288 4.608 4.320 -0.000 0.000 0.199 412 K C 0.309 176.884 176.600 -0.043 0.000 1.153 412 K CA 0.263 56.557 56.287 0.011 0.000 0.974 412 K CB 1.110 33.598 32.500 -0.020 0.000 0.997 412 K HN 0.374 nan 8.250 nan 0.000 0.547 413 I N 3.908 124.427 120.570 -0.086 0.000 2.312 413 I HA 0.283 4.453 4.170 -0.000 0.000 0.290 413 I C -0.118 175.907 176.117 -0.153 0.000 1.008 413 I CA -0.414 60.781 61.300 -0.174 0.000 1.226 413 I CB 0.895 38.710 38.000 -0.309 0.000 1.371 413 I HN 0.072 nan 8.210 nan 0.000 0.468 414 M N 2.791 122.316 119.600 -0.125 0.000 2.779 414 M HA 0.519 4.999 4.480 -0.000 0.000 0.277 414 M C 0.324 176.567 176.300 -0.095 0.000 1.284 414 M CA -0.708 54.530 55.300 -0.103 0.000 0.801 414 M CB 1.577 34.158 32.600 -0.031 0.000 1.712 414 M HN 0.153 nan 8.290 nan 0.000 0.453 415 E N 1.430 121.592 120.200 -0.064 0.000 2.058 415 E HA -0.025 4.325 4.350 -0.000 0.000 0.194 415 E C -0.157 176.445 176.600 0.004 0.000 0.997 415 E CA 1.878 58.257 56.400 -0.036 0.000 0.801 415 E CB 0.339 30.036 29.700 -0.004 0.000 0.746 415 E HN 0.509 nan 8.360 nan 0.000 0.450 416 K N -1.152 119.253 120.400 0.008 0.000 2.501 416 K HA 0.364 4.684 4.320 -0.000 0.000 0.252 416 K C -1.463 175.142 176.600 0.009 0.000 0.934 416 K CA -0.640 55.659 56.287 0.020 0.000 0.797 416 K CB 1.297 33.814 32.500 0.027 0.000 1.270 416 K HN 0.072 nan 8.250 nan 0.000 0.431 417 C N 2.433 121.738 119.300 0.010 0.000 2.676 417 C HA 0.138 4.598 4.460 -0.000 0.000 0.416 417 C C 1.846 176.839 174.990 0.006 0.000 1.299 417 C CA -0.040 58.982 59.018 0.007 0.000 2.048 417 C CB 0.395 28.145 27.740 0.016 0.000 2.713 417 C HN 0.952 nan 8.230 nan 0.000 0.624 418 T N -0.607 113.947 114.554 0.000 0.000 3.037 418 T HA 0.206 4.556 4.350 -0.000 0.000 0.251 418 T C 0.352 175.041 174.700 -0.019 0.000 1.079 418 T CA 0.210 62.306 62.100 -0.005 0.000 1.067 418 T CB -0.103 68.763 68.868 -0.004 0.000 0.948 418 T HN 0.513 nan 8.240 nan 0.000 0.496 419 L N 1.649 122.855 121.223 -0.027 0.000 2.421 419 L HA 0.465 4.805 4.340 -0.000 0.000 0.263 419 L C -2.363 174.475 176.870 -0.054 0.000 1.122 419 L CA -2.810 51.992 54.840 -0.063 0.000 0.804 419 L CB 0.399 42.411 42.059 -0.077 0.000 1.150 419 L HN -0.122 nan 8.230 nan 0.000 0.457 420 P HA 0.013 nan 4.420 nan 0.000 0.264 420 P C -0.741 176.658 177.300 0.165 0.000 1.183 420 P CA 0.197 63.282 63.100 -0.025 0.000 0.763 420 P CB 0.309 31.865 31.700 -0.240 0.000 0.807 421 L N 2.477 123.863 121.223 0.271 0.000 2.395 421 L HA 0.151 4.491 4.340 -0.000 0.000 0.269 421 L C 1.517 178.639 176.870 0.420 0.000 1.133 421 L CA 0.093 55.098 54.840 0.274 0.000 0.812 421 L CB 0.394 42.522 42.059 0.114 0.000 1.125 421 L HN 0.416 nan 8.230 nan 0.000 0.452 422 T N 0.283 115.005 114.554 0.282 0.000 3.040 422 T HA 0.225 4.575 4.350 -0.000 0.000 0.252 422 T C 0.498 175.208 174.700 0.017 0.000 1.064 422 T CA 0.525 62.687 62.100 0.105 0.000 1.110 422 T CB 0.526 69.492 68.868 0.165 0.000 0.921 422 T HN 0.830 nan 8.240 nan 0.000 0.480 423 G N 0.452 109.282 108.800 0.051 0.000 2.547 423 G HA2 0.536 4.496 3.960 -0.000 0.000 0.291 423 G HA3 0.536 4.496 3.960 -0.000 0.000 0.291 423 G C -2.076 172.837 174.900 0.022 0.000 1.471 423 G CA -0.915 44.198 45.100 0.022 0.000 0.798 423 G HN 0.030 nan 8.290 nan 0.000 0.504 424 K N 0.618 121.022 120.400 0.007 0.000 2.164 424 K HA 0.440 4.760 4.320 -0.000 0.000 0.258 424 K C -0.072 176.565 176.600 0.061 0.000 0.951 424 K CA -0.630 55.666 56.287 0.015 0.000 0.844 424 K CB 1.743 34.218 32.500 -0.040 0.000 1.099 424 K HN 0.651 nan 8.250 nan 0.000 0.435 425 Q N 0.247 120.091 119.800 0.072 0.000 2.423 425 Q HA -0.248 4.092 4.340 -0.000 0.000 0.332 425 Q C 0.386 176.431 176.000 0.075 0.000 1.355 425 Q CA 0.530 56.386 55.803 0.088 0.000 0.947 425 Q CB -1.825 26.968 28.738 0.091 0.000 1.189 425 Q HN 0.867 nan 8.270 nan 0.000 0.418 426 C N -4.886 114.454 119.300 0.065 0.000 3.559 426 C HA 0.458 4.918 4.460 -0.000 0.000 0.314 426 C C 0.824 175.845 174.990 0.052 0.000 1.419 426 C CA -0.479 58.575 59.018 0.059 0.000 1.775 426 C CB -0.148 27.627 27.740 0.059 0.000 2.430 426 C HN 0.272 nan 8.230 nan 0.000 0.686 427 V N 3.646 123.589 119.914 0.049 0.000 2.432 427 V HA 0.259 4.379 4.120 -0.000 0.000 0.275 427 V C 0.264 176.380 176.094 0.038 0.000 1.043 427 V CA 0.414 62.737 62.300 0.038 0.000 0.925 427 V CB 0.900 32.739 31.823 0.026 0.000 0.985 427 V HN 0.460 nan 8.190 nan 0.000 0.466 428 N N 3.111 121.832 118.700 0.036 0.000 2.356 428 N HA 0.184 4.924 4.740 -0.000 0.000 0.178 428 N C 0.492 176.024 175.510 0.037 0.000 1.075 428 N CA -0.045 53.027 53.050 0.037 0.000 0.889 428 N CB 0.503 39.011 38.487 0.034 0.000 0.999 428 N HN 0.648 nan 8.380 nan 0.000 0.464 429 R N 0.490 121.009 120.500 0.033 0.000 2.629 429 R HA 0.469 4.809 4.340 -0.000 0.000 0.266 429 R C -2.107 174.218 176.300 0.041 0.000 1.051 429 R CA -0.495 55.629 56.100 0.041 0.000 0.895 429 R CB 1.204 31.515 30.300 0.019 0.000 1.246 429 R HN -0.085 nan 8.270 nan 0.000 0.459 430 I N 5.047 125.664 120.570 0.079 0.000 2.466 430 I HA 0.427 4.597 4.170 -0.000 0.000 0.289 430 I C -0.496 175.670 176.117 0.081 0.000 1.026 430 I CA -0.738 60.609 61.300 0.078 0.000 1.078 430 I CB 2.094 40.158 38.000 0.106 0.000 1.249 430 I HN 0.440 nan 8.210 nan 0.000 0.429 431 I N 5.314 125.903 120.570 0.033 0.000 2.433 431 I HA 0.470 4.640 4.170 -0.000 0.000 0.292 431 I C 0.227 176.354 176.117 0.018 0.000 1.001 431 I CA -0.242 61.065 61.300 0.012 0.000 1.119 431 I CB 2.210 40.200 38.000 -0.017 0.000 1.289 431 I HN 0.655 nan 8.210 nan 0.000 0.438 432 T N 0.946 115.523 114.554 0.038 0.000 2.773 432 T HA 0.272 4.622 4.350 -0.000 0.000 0.278 432 T C 0.634 175.343 174.700 0.015 0.000 1.011 432 T CA -0.599 61.535 62.100 0.055 0.000 1.014 432 T CB 1.691 70.675 68.868 0.193 0.000 1.293 432 T HN 0.638 nan 8.240 nan 0.000 0.554 433 E N 0.236 120.423 120.200 -0.021 0.000 2.502 433 E HA 0.052 4.402 4.350 -0.000 0.000 0.194 433 E C 0.915 177.417 176.600 -0.165 0.000 1.062 433 E CA 0.535 56.837 56.400 -0.164 0.000 0.867 433 E CB -0.039 29.527 29.700 -0.222 0.000 0.888 433 E HN 0.761 nan 8.360 nan 0.000 0.510 434 K N -0.149 120.244 120.400 -0.011 0.000 2.424 434 K HA 0.394 4.714 4.320 -0.000 0.000 0.198 434 K C 0.557 177.166 176.600 0.015 0.000 1.190 434 K CA 0.613 56.898 56.287 -0.003 0.000 0.935 434 K CB 1.265 33.678 32.500 -0.145 0.000 1.087 434 K HN 0.124 nan 8.250 nan 0.000 0.524 435 A N 0.731 123.548 122.820 -0.006 0.000 2.609 435 A HA 0.638 4.957 4.320 -0.000 0.000 0.291 435 A C -1.500 175.967 177.584 -0.196 0.000 1.096 435 A CA -0.600 51.326 52.037 -0.186 0.000 0.684 435 A CB 1.718 20.428 19.000 -0.485 0.000 1.282 435 A HN -0.104 nan 8.150 nan 0.000 0.412 436 V N 0.579 120.308 119.914 -0.308 0.000 2.540 436 V HA 0.642 4.762 4.120 -0.000 0.000 0.302 436 V C -1.442 174.458 176.094 -0.323 0.000 1.035 436 V CA -0.237 61.947 62.300 -0.193 0.000 0.873 436 V CB 1.250 33.013 31.823 -0.100 0.000 0.992 436 V HN 0.671 nan 8.190 nan 0.000 0.428 437 F N 1.819 121.736 119.950 -0.055 0.000 2.493 437 F HA 0.520 5.047 4.527 -0.000 0.000 0.329 437 F C 0.251 176.028 175.800 -0.038 0.000 1.126 437 F CA -0.756 57.206 58.000 -0.065 0.000 0.937 437 F CB 1.671 40.608 39.000 -0.105 0.000 1.146 437 F HN 0.400 nan 8.300 nan 0.000 0.442 438 D N 2.047 122.552 120.400 0.176 0.000 2.264 438 D HA 0.506 5.146 4.640 -0.000 0.000 0.249 438 D C -0.766 175.602 176.300 0.112 0.000 1.070 438 D CA 0.121 54.185 54.000 0.108 0.000 0.912 438 D CB 1.938 42.785 40.800 0.079 0.000 1.193 438 D HN 0.117 nan 8.370 nan 0.000 0.427 439 V N 2.015 121.971 119.914 0.070 0.000 2.487 439 V HA 0.313 4.433 4.120 -0.000 0.000 0.298 439 V C -0.439 175.690 176.094 0.057 0.000 1.028 439 V CA -0.851 61.474 62.300 0.041 0.000 0.860 439 V CB 1.976 33.810 31.823 0.018 0.000 0.991 439 V HN 0.435 nan 8.190 nan 0.000 0.427 440 D N 2.192 122.636 120.400 0.072 0.000 2.362 440 D HA 0.430 5.070 4.640 -0.000 0.000 0.247 440 D C 1.278 177.688 176.300 0.182 0.000 1.050 440 D CA -0.754 53.309 54.000 0.106 0.000 0.839 440 D CB 1.732 42.594 40.800 0.103 0.000 1.283 440 D HN 0.568 nan 8.370 nan 0.000 0.477 441 R N 2.578 123.172 120.500 0.158 0.000 2.159 441 R HA -0.092 4.247 4.340 -0.000 0.000 0.237 441 R C 0.814 177.227 176.300 0.187 0.000 1.131 441 R CA 0.989 57.198 56.100 0.182 0.000 0.982 441 R CB -0.039 30.316 30.300 0.091 0.000 0.868 441 R HN 0.215 nan 8.270 nan 0.000 0.453 442 K N 0.803 121.300 120.400 0.161 0.000 2.262 442 K HA 0.118 4.438 4.320 -0.000 0.000 0.200 442 K C 1.786 178.535 176.600 0.249 0.000 1.058 442 K CA 0.813 57.160 56.287 0.100 0.000 0.974 442 K CB 0.275 32.804 32.500 0.048 0.000 0.910 442 K HN 0.172 nan 8.250 nan 0.000 0.484 443 K N 0.255 120.792 120.400 0.228 0.000 2.186 443 K HA 0.061 4.381 4.320 -0.000 0.000 0.202 443 K C 1.026 177.733 176.600 0.178 0.000 1.052 443 K CA 0.706 57.106 56.287 0.190 0.000 0.965 443 K CB 0.262 32.829 32.500 0.111 0.000 0.746 443 K HN 0.287 nan 8.250 nan 0.000 0.457 444 G N 0.869 109.749 108.800 0.133 0.000 2.464 444 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.216 444 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.216 444 G C -1.046 173.792 174.900 -0.103 0.000 1.186 444 G CA -0.801 44.160 45.100 -0.233 0.000 1.010 444 G HN 0.037 nan 8.290 nan 0.000 0.585 445 L N 0.849 121.999 121.223 -0.120 0.000 2.334 445 L HA 0.666 5.006 4.340 -0.000 0.000 0.277 445 L C 0.144 177.124 176.870 0.184 0.000 1.075 445 L CA -0.508 54.326 54.840 -0.011 0.000 0.804 445 L CB 1.832 43.764 42.059 -0.212 0.000 1.174 445 L HN 0.619 nan 8.230 nan 0.000 0.438 446 T N 3.335 118.052 114.554 0.271 0.000 2.881 446 T HA 0.314 4.664 4.350 -0.000 0.000 0.291 446 T C -0.588 174.294 174.700 0.303 0.000 0.990 446 T CA -0.440 61.826 62.100 0.276 0.000 0.976 446 T CB 1.580 70.540 68.868 0.153 0.000 0.970 446 T HN 0.242 nan 8.240 nan 0.000 0.438 447 L N 5.893 127.284 121.223 0.279 0.000 2.369 447 L HA 0.436 4.775 4.340 -0.000 0.000 0.279 447 L C 0.793 177.632 176.870 -0.051 0.000 1.108 447 L CA 0.217 55.002 54.840 -0.091 0.000 0.852 447 L CB -0.165 41.863 42.059 -0.052 0.000 1.169 447 L HN 0.779 nan 8.230 nan 0.000 0.452 448 I N 0.141 120.646 120.570 -0.109 0.000 4.181 448 I HA 0.454 4.624 4.170 -0.000 0.000 0.331 448 I C -0.095 175.978 176.117 -0.074 0.000 1.312 448 I CA -0.147 61.122 61.300 -0.053 0.000 1.146 448 I CB 0.174 38.162 38.000 -0.020 0.000 1.074 448 I HN 0.485 nan 8.210 nan 0.000 0.402 449 E N 1.723 121.847 120.200 -0.125 0.000 2.366 449 E HA 0.611 4.961 4.350 -0.000 0.000 0.278 449 E C -1.880 174.647 176.600 -0.122 0.000 0.923 449 E CA -0.825 55.516 56.400 -0.097 0.000 0.761 449 E CB 3.403 33.064 29.700 -0.066 0.000 1.231 449 E HN 0.091 nan 8.360 nan 0.000 0.443 450 L N 1.768 122.944 121.223 -0.078 0.000 2.436 450 L HA 0.431 4.771 4.340 -0.000 0.000 0.268 450 L C -1.331 175.532 176.870 -0.011 0.000 0.974 450 L CA -0.411 54.396 54.840 -0.055 0.000 0.826 450 L CB 1.562 43.582 42.059 -0.066 0.000 1.291 450 L HN 0.698 nan 8.230 nan 0.000 0.406 451 W N 5.839 127.080 121.300 -0.099 0.000 2.264 451 W HA 0.161 4.821 4.660 -0.000 0.000 0.331 451 W C 0.222 176.706 176.519 -0.059 0.000 1.364 451 W CA -0.031 57.269 57.345 -0.074 0.000 1.253 451 W CB 0.758 30.176 29.460 -0.070 0.000 1.215 451 W HN 0.860 nan 8.180 nan 0.000 0.561 452 E N 3.885 123.516 120.200 -0.947 0.000 2.413 452 E HA 0.308 4.658 4.350 -0.000 0.000 0.263 452 E C 0.900 177.285 176.600 -0.360 0.000 1.015 452 E CA 0.677 56.732 56.400 -0.575 0.000 0.916 452 E CB 0.748 30.102 29.700 -0.576 0.000 0.947 452 E HN 0.729 nan 8.360 nan 0.000 0.440 453 G N 2.945 111.656 108.800 -0.150 0.000 2.279 453 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.223 453 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.223 453 G C 0.123 175.034 174.900 0.019 0.000 1.015 453 G CA 0.099 45.179 45.100 -0.033 0.000 0.621 453 G HN 0.458 nan 8.290 nan 0.000 0.506 454 L N 1.781 123.024 121.223 0.033 0.000 2.360 454 L HA 0.718 5.058 4.340 -0.000 0.000 0.271 454 L C 1.109 177.987 176.870 0.013 0.000 1.057 454 L CA -0.280 54.590 54.840 0.050 0.000 0.803 454 L CB 1.752 43.867 42.059 0.094 0.000 1.207 454 L HN 0.413 nan 8.230 nan 0.000 0.445 455 T N -2.333 112.233 114.554 0.020 0.000 2.938 455 T HA 0.349 4.699 4.350 -0.000 0.000 0.285 455 T C 0.976 175.701 174.700 0.043 0.000 1.028 455 T CA -0.803 61.310 62.100 0.021 0.000 1.005 455 T CB 1.622 70.503 68.868 0.022 0.000 1.157 455 T HN 0.180 nan 8.240 nan 0.000 0.550 456 V N 0.946 120.897 119.914 0.062 0.000 2.490 456 V HA -0.117 4.003 4.120 -0.000 0.000 0.250 456 V C 2.453 178.637 176.094 0.151 0.000 1.061 456 V CA 1.948 64.327 62.300 0.131 0.000 1.064 456 V CB -0.943 30.954 31.823 0.123 0.000 0.670 456 V HN 0.867 nan 8.190 nan 0.000 0.461 457 D N 0.322 120.774 120.400 0.087 0.000 2.106 457 D HA -0.181 4.459 4.640 -0.000 0.000 0.191 457 D C 1.953 178.307 176.300 0.090 0.000 0.997 457 D CA 1.550 55.596 54.000 0.077 0.000 0.834 457 D CB -0.349 40.478 40.800 0.046 0.000 0.956 457 D HN 0.416 nan 8.370 nan 0.000 0.448 458 D N 0.196 120.634 120.400 0.063 0.000 2.133 458 D HA -0.152 4.488 4.640 -0.000 0.000 0.195 458 D C 2.144 178.464 176.300 0.033 0.000 0.997 458 D CA 0.565 54.588 54.000 0.040 0.000 0.840 458 D CB -0.173 40.636 40.800 0.016 0.000 0.947 458 D HN 0.237 nan 8.370 nan 0.000 0.452 459 I N 1.224 121.823 120.570 0.049 0.000 2.286 459 I HA -0.191 3.979 4.170 -0.000 0.000 0.248 459 I C 2.152 178.423 176.117 0.257 0.000 1.115 459 I CA 1.027 62.346 61.300 0.031 0.000 1.392 459 I CB -0.829 37.178 38.000 0.013 0.000 1.065 459 I HN 0.046 nan 8.210 nan 0.000 0.418 460 K N 0.850 121.476 120.400 0.375 0.000 2.097 460 K HA -0.189 4.131 4.320 -0.000 0.000 0.206 460 K C 2.073 178.810 176.600 0.228 0.000 1.049 460 K CA 0.971 57.476 56.287 0.364 0.000 0.933 460 K CB -0.193 32.416 32.500 0.182 0.000 0.717 460 K HN 0.228 nan 8.250 nan 0.000 0.442 461 K N 0.766 121.271 120.400 0.175 0.000 2.280 461 K HA -0.061 4.259 4.320 -0.000 0.000 0.202 461 K C 0.611 177.367 176.600 0.260 0.000 1.047 461 K CA 1.036 57.425 56.287 0.170 0.000 0.942 461 K CB 0.172 32.735 32.500 0.105 0.000 0.739 461 K HN -0.073 nan 8.250 nan 0.000 0.457 462 S N 0.180 116.030 115.700 0.250 0.000 2.741 462 S HA 0.134 4.604 4.470 -0.000 0.000 0.247 462 S C -0.990 173.889 174.600 0.465 0.000 1.050 462 S CA -0.457 57.960 58.200 0.362 0.000 1.025 462 S CB 1.391 64.690 63.200 0.165 0.000 0.897 462 S HN 0.099 nan 8.310 nan 0.000 0.508 463 T N 0.226 114.895 114.554 0.191 0.000 2.928 463 T HA 0.396 4.745 4.350 -0.000 0.000 0.296 463 T C 1.152 175.536 174.700 -0.526 0.000 1.000 463 T CA -0.680 61.408 62.100 -0.021 0.000 0.989 463 T CB 1.718 70.706 68.868 0.200 0.000 1.005 463 T HN 0.163 nan 8.240 nan 0.000 0.442 464 G N 0.863 109.257 108.800 -0.677 0.000 2.598 464 G HA2 0.123 4.083 3.960 -0.000 0.000 0.215 464 G HA3 0.123 4.083 3.960 -0.000 0.000 0.215 464 G C 0.738 175.492 174.900 -0.243 0.000 1.131 464 G CA 0.567 45.306 45.100 -0.602 0.000 0.785 464 G HN 0.973 nan 8.290 nan 0.000 0.539 465 C N -0.522 118.680 119.300 -0.164 0.000 3.213 465 C HA 0.752 5.212 4.460 -0.000 0.000 0.319 465 C C -0.590 174.402 174.990 0.003 0.000 1.386 465 C CA -1.300 57.664 59.018 -0.090 0.000 1.494 465 C CB 1.640 29.303 27.740 -0.129 0.000 1.905 465 C HN 0.324 nan 8.230 nan 0.000 0.456 466 D N 0.061 120.446 120.400 -0.026 0.000 2.348 466 D HA 0.723 5.363 4.640 -0.000 0.000 0.249 466 D C -0.566 175.757 176.300 0.039 0.000 1.110 466 D CA -0.203 53.761 54.000 -0.059 0.000 0.967 466 D CB 0.520 41.237 40.800 -0.138 0.000 1.139 466 D HN 0.759 nan 8.370 nan 0.000 0.466 467 F N -2.896 117.041 119.950 -0.021 0.000 2.631 467 F HA 0.763 5.290 4.527 -0.000 0.000 0.308 467 F C -0.690 175.148 175.800 0.063 0.000 1.097 467 F CA -1.828 56.181 58.000 0.016 0.000 0.952 467 F CB 0.890 39.976 39.000 0.142 0.000 1.307 467 F HN 0.518 nan 8.300 nan 0.000 0.450 468 A N 1.252 124.203 122.820 0.219 0.000 2.322 468 A HA 0.718 5.038 4.320 -0.000 0.000 0.269 468 A C -0.848 176.894 177.584 0.262 0.000 1.094 468 A CA -0.642 51.477 52.037 0.137 0.000 0.807 468 A CB 0.806 19.871 19.000 0.109 0.000 1.047 468 A HN 0.771 nan 8.150 nan 0.000 0.487 469 V N 1.479 121.488 119.914 0.158 0.000 2.459 469 V HA 0.379 4.499 4.120 -0.000 0.000 0.295 469 V C 0.728 176.880 176.094 0.098 0.000 1.029 469 V CA -0.479 61.922 62.300 0.168 0.000 0.874 469 V CB 1.587 33.481 31.823 0.118 0.000 0.985 469 V HN 0.966 nan 8.190 nan 0.000 0.438 470 S N 6.281 122.030 115.700 0.081 0.000 2.549 470 S HA 0.216 4.686 4.470 -0.000 0.000 0.283 470 S C -0.878 173.741 174.600 0.031 0.000 1.320 470 S CA -0.919 57.311 58.200 0.049 0.000 1.058 470 S CB 0.952 64.171 63.200 0.033 0.000 0.882 470 S HN 0.718 nan 8.310 nan 0.000 0.498 471 P HA 0.001 nan 4.420 nan 0.000 0.230 471 P C 0.118 177.423 177.300 0.008 0.000 1.158 471 P CA 0.861 63.970 63.100 0.015 0.000 0.769 471 P CB 0.128 31.836 31.700 0.013 0.000 0.807 472 K N -0.244 120.161 120.400 0.008 0.000 2.498 472 K HA 0.162 4.482 4.320 -0.000 0.000 0.207 472 K C 0.334 176.930 176.600 -0.007 0.000 1.033 472 K CA -0.789 55.498 56.287 -0.000 0.000 1.138 472 K CB -0.157 32.344 32.500 0.002 0.000 0.860 472 K HN 0.034 nan 8.250 nan 0.000 0.490 473 L N 2.571 123.791 121.223 -0.006 0.000 2.540 473 L HA 0.078 4.418 4.340 -0.000 0.000 0.276 473 L C -0.158 176.694 176.870 -0.031 0.000 1.212 473 L CA 0.574 55.403 54.840 -0.018 0.000 0.893 473 L CB 0.110 42.163 42.059 -0.010 0.000 1.138 473 L HN 0.163 nan 8.230 nan 0.000 0.491 474 I N 3.266 123.810 120.570 -0.043 0.000 2.846 474 I HA 0.683 4.853 4.170 -0.000 0.000 0.307 474 I C -2.475 173.597 176.117 -0.075 0.000 1.053 474 I CA -2.536 58.732 61.300 -0.054 0.000 1.050 474 I CB 1.959 39.931 38.000 -0.047 0.000 1.239 474 I HN 0.420 nan 8.210 nan 0.000 0.439 475 P HA 0.053 nan 4.420 nan 0.000 0.269 475 P C -0.434 176.793 177.300 -0.121 0.000 1.215 475 P CA -0.240 62.772 63.100 -0.146 0.000 0.780 475 P CB 0.705 32.282 31.700 -0.204 0.000 0.898 476 M N 2.461 122.002 119.600 -0.099 0.000 2.260 476 M HA -0.038 4.442 4.480 -0.000 0.000 0.348 476 M C 0.483 176.782 176.300 -0.002 0.000 1.342 476 M CA 0.628 55.931 55.300 0.006 0.000 1.040 476 M CB 0.048 32.764 32.600 0.194 0.000 1.810 476 M HN 0.303 nan 8.290 nan 0.000 0.453 477 Q N 3.538 123.345 119.800 0.011 0.000 2.312 477 Q HA 0.282 4.622 4.340 -0.000 0.000 0.236 477 Q C -0.922 175.112 176.000 0.056 0.000 0.965 477 Q CA -0.428 55.379 55.803 0.007 0.000 0.894 477 Q CB 1.141 29.874 28.738 -0.009 0.000 1.225 477 Q HN 0.599 nan 8.270 nan 0.000 0.478 478 Q N 0.868 120.692 119.800 0.040 0.000 2.347 478 Q HA 0.304 4.644 4.340 -0.000 0.000 0.271 478 Q C -0.879 175.113 176.000 -0.014 0.000 1.064 478 Q CA -0.593 55.231 55.803 0.035 0.000 0.800 478 Q CB 2.670 31.462 28.738 0.090 0.000 1.304 478 Q HN 0.540 nan 8.270 nan 0.000 0.438 479 V N 2.170 122.051 119.914 -0.056 0.000 2.872 479 V HA 0.053 4.173 4.120 -0.000 0.000 0.307 479 V C 0.628 176.708 176.094 -0.024 0.000 1.072 479 V CA 0.788 63.069 62.300 -0.030 0.000 1.148 479 V CB 1.267 33.078 31.823 -0.021 0.000 0.954 479 V HN 0.924 nan 8.190 nan 0.000 0.490 480 T N 0.000 114.565 114.554 0.018 0.000 3.816 480 T HA 0.000 4.350 4.350 -0.000 0.000 0.228 480 T CA 0.000 62.117 62.100 0.028 0.000 1.349 480 T CB 0.000 68.886 68.868 0.030 0.000 0.612 480 T HN 0.000 nan 8.240 nan 0.000 0.658