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 2nrc_1_D DATA FIRST_RESID 1 DATA SEQUENCE TKFYTDAVEA VKDIPNGATV LVGGFGLAGI 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 XXXXXXXXGD 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 0.000 174.732 174.700 0.054 0.000 1.109 1 T CA 0.000 62.117 62.100 0.029 0.000 1.349 1 T CB 0.000 68.814 68.868 -0.091 0.000 0.612 2 K N 2.815 123.241 120.400 0.043 0.000 2.185 2 K HA 0.682 5.002 4.320 0.000 0.000 0.269 2 K C -1.100 175.540 176.600 0.066 0.000 0.987 2 K CA -0.638 55.724 56.287 0.125 0.000 0.865 2 K CB 0.591 33.175 32.500 0.141 0.000 1.090 2 K HN 0.347 nan 8.250 nan 0.000 0.450 3 F N 3.415 123.389 119.950 0.039 0.000 2.399 3 F HA 0.367 4.894 4.527 0.000 0.000 0.334 3 F C -0.362 175.423 175.800 -0.025 0.000 1.097 3 F CA -0.343 57.718 58.000 0.102 0.000 1.076 3 F CB 0.704 39.732 39.000 0.046 0.000 1.162 3 F HN 0.392 nan 8.300 nan 0.000 0.495 4 Y N -0.584 119.825 120.300 0.181 0.000 2.570 4 Y HA 0.359 4.909 4.550 0.000 0.000 0.345 4 Y C 1.107 177.075 175.900 0.114 0.000 1.014 4 Y CA -1.013 57.161 58.100 0.123 0.000 1.063 4 Y CB 1.914 40.423 38.460 0.082 0.000 1.272 4 Y HN 0.614 nan 8.280 nan 0.000 0.477 5 T N -3.696 110.995 114.554 0.229 0.000 3.034 5 T HA 0.100 4.450 4.350 0.000 0.000 0.248 5 T C 0.034 174.816 174.700 0.137 0.000 1.040 5 T CA 0.369 62.559 62.100 0.150 0.000 1.107 5 T CB 0.251 69.175 68.868 0.094 0.000 0.932 5 T HN 0.445 nan 8.240 nan 0.000 0.474 6 D N 0.528 121.026 120.400 0.163 0.000 2.278 6 D HA 0.647 5.287 4.640 0.000 0.000 0.245 6 D C 0.997 177.355 176.300 0.097 0.000 1.052 6 D CA -0.263 53.804 54.000 0.111 0.000 0.834 6 D CB 2.055 42.913 40.800 0.097 0.000 1.194 6 D HN 0.147 nan 8.370 nan 0.000 0.481 7 A N 3.269 126.113 122.820 0.041 0.000 1.930 7 A HA -0.093 4.228 4.320 0.000 0.000 0.217 7 A C 2.116 179.679 177.584 -0.036 0.000 1.175 7 A CA 1.173 53.206 52.037 -0.006 0.000 0.627 7 A CB -0.355 18.636 19.000 -0.015 0.000 0.815 7 A HN 0.506 nan 8.150 nan 0.000 0.443 8 V N 0.050 119.956 119.914 -0.013 0.000 2.515 8 V HA -0.209 3.912 4.120 0.000 0.000 0.250 8 V C 2.513 178.598 176.094 -0.015 0.000 1.058 8 V CA 2.222 64.508 62.300 -0.023 0.000 1.064 8 V CB -0.704 31.115 31.823 -0.008 0.000 0.675 8 V HN 0.668 nan 8.190 nan 0.000 0.461 9 E N 1.267 121.488 120.200 0.036 0.000 2.110 9 E HA -0.144 4.206 4.350 0.000 0.000 0.193 9 E C 2.048 178.650 176.600 0.004 0.000 0.988 9 E CA 1.546 58.010 56.400 0.106 0.000 0.804 9 E CB -0.426 29.428 29.700 0.256 0.000 0.745 9 E HN 0.533 nan 8.360 nan 0.000 0.458 10 A N -0.199 122.463 122.820 -0.264 0.000 2.206 10 A HA 0.062 4.382 4.320 0.000 0.000 0.211 10 A C 1.669 179.077 177.584 -0.294 0.000 1.158 10 A CA 1.118 52.735 52.037 -0.700 0.000 0.761 10 A CB -0.087 18.340 19.000 -0.954 0.000 0.801 10 A HN 0.322 nan 8.150 nan 0.000 0.473 11 V N -3.298 116.508 119.914 -0.180 0.000 3.337 11 V HA 0.162 4.282 4.120 0.000 0.000 0.307 11 V C 1.308 177.286 176.094 -0.193 0.000 1.505 11 V CA 0.553 62.735 62.300 -0.196 0.000 1.072 11 V CB -0.554 31.160 31.823 -0.182 0.000 0.929 11 V HN 0.536 nan 8.190 nan 0.000 0.455 12 K N 2.022 122.359 120.400 -0.105 0.000 2.362 12 K HA -0.095 4.225 4.320 0.000 0.000 0.200 12 K C 1.009 177.562 176.600 -0.079 0.000 1.046 12 K CA 1.729 57.972 56.287 -0.073 0.000 0.952 12 K CB -0.325 32.165 32.500 -0.016 0.000 0.753 12 K HN 0.623 nan 8.250 nan 0.000 0.466 13 D N 1.107 121.456 120.400 -0.086 0.000 2.388 13 D HA 0.059 4.699 4.640 0.000 0.000 0.221 13 D C 0.173 176.377 176.300 -0.160 0.000 1.133 13 D CA -0.385 53.594 54.000 -0.035 0.000 0.831 13 D CB -0.182 40.680 40.800 0.103 0.000 0.962 13 D HN 0.236 nan 8.370 nan 0.000 0.502 14 I N 3.101 123.403 120.570 -0.447 0.000 2.421 14 I HA 0.095 4.265 4.170 0.000 0.000 0.291 14 I C -1.795 174.172 176.117 -0.249 0.000 1.089 14 I CA -1.531 59.344 61.300 -0.708 0.000 1.354 14 I CB 0.587 38.128 38.000 -0.765 0.000 1.413 14 I HN -0.201 nan 8.210 nan 0.000 0.513 15 P HA 0.022 nan 4.420 nan 0.000 0.269 15 P C -0.683 176.602 177.300 -0.025 0.000 1.209 15 P CA -0.288 62.805 63.100 -0.010 0.000 0.776 15 P CB 0.545 32.284 31.700 0.064 0.000 0.876 16 N N 0.863 119.552 118.700 -0.018 0.000 2.441 16 N HA 0.095 4.835 4.740 0.000 0.000 0.251 16 N C 1.547 177.056 175.510 -0.001 0.000 1.242 16 N CA 1.418 54.457 53.050 -0.017 0.000 0.898 16 N CB -0.123 38.357 38.487 -0.012 0.000 1.100 16 N HN 0.781 nan 8.380 nan 0.000 0.443 17 G N -0.377 108.421 108.800 -0.002 0.000 2.168 17 G HA2 -0.256 3.704 3.960 0.000 0.000 0.257 17 G HA3 -0.256 3.704 3.960 0.000 0.000 0.257 17 G C 0.287 175.200 174.900 0.022 0.000 0.997 17 G CA 0.503 45.608 45.100 0.008 0.000 0.708 17 G HN 0.899 nan 8.290 nan 0.000 0.520 18 A N -0.436 122.400 122.820 0.026 0.000 2.332 18 A HA 0.716 5.036 4.320 0.000 0.000 0.258 18 A C 0.714 178.335 177.584 0.061 0.000 1.087 18 A CA 0.825 52.901 52.037 0.064 0.000 0.802 18 A CB 0.533 19.589 19.000 0.093 0.000 1.042 18 A HN 0.711 nan 8.150 nan 0.000 0.489 19 T N 1.638 116.243 114.554 0.085 0.000 2.728 19 T HA 0.483 4.833 4.350 0.000 0.000 0.296 19 T C -0.380 174.379 174.700 0.098 0.000 0.940 19 T CA -0.094 62.047 62.100 0.067 0.000 1.013 19 T CB 0.329 69.231 68.868 0.055 0.000 0.912 19 T HN 0.430 nan 8.240 nan 0.000 0.484 20 V N 5.537 125.494 119.914 0.071 0.000 2.487 20 V HA 0.440 4.560 4.120 0.000 0.000 0.298 20 V C -0.113 176.012 176.094 0.052 0.000 1.028 20 V CA -1.018 61.333 62.300 0.085 0.000 0.860 20 V CB 1.622 33.476 31.823 0.051 0.000 0.991 20 V HN 0.742 nan 8.190 nan 0.000 0.427 21 L N 5.057 126.318 121.223 0.063 0.000 2.265 21 L HA 0.596 4.936 4.340 0.000 0.000 0.288 21 L C -0.560 176.331 176.870 0.036 0.000 1.058 21 L CA -0.574 54.291 54.840 0.042 0.000 0.809 21 L CB 1.378 43.468 42.059 0.051 0.000 1.179 21 L HN 0.381 nan 8.230 nan 0.000 0.429 22 V N 2.285 122.204 119.914 0.008 0.000 2.409 22 V HA 0.505 4.625 4.120 0.000 0.000 0.291 22 V C 0.776 176.873 176.094 0.006 0.000 1.020 22 V CA -0.624 61.677 62.300 0.002 0.000 0.848 22 V CB 1.359 33.164 31.823 -0.029 0.000 0.990 22 V HN 0.873 nan 8.190 nan 0.000 0.430 23 G N 2.391 111.218 108.800 0.045 0.000 2.572 23 G HA2 0.629 4.589 3.960 0.000 0.000 0.261 23 G HA3 0.629 4.589 3.960 0.000 0.000 0.261 23 G C 0.208 175.148 174.900 0.066 0.000 1.197 23 G CA 0.221 45.369 45.100 0.081 0.000 0.870 23 G HN 1.628 nan 8.290 nan 0.000 0.548 24 G N -1.591 107.280 108.800 0.119 0.000 2.453 24 G HA2 0.386 4.346 3.960 0.000 0.000 0.665 24 G HA3 0.386 4.346 3.960 0.000 0.000 0.665 24 G C -1.316 173.694 174.900 0.183 0.000 1.411 24 G CA -0.641 44.534 45.100 0.124 0.000 0.889 24 G HN 1.238 nan 8.290 nan 0.000 0.651 25 F N 2.924 122.913 119.950 0.065 0.000 2.577 25 F HA 0.612 5.139 4.527 0.000 0.000 0.344 25 F C 0.934 176.775 175.800 0.068 0.000 1.145 25 F CA 1.332 59.381 58.000 0.082 0.000 0.996 25 F CB 1.079 40.154 39.000 0.125 0.000 1.248 25 F HN 2.208 nan 8.300 nan 0.000 0.447 26 G N 4.708 113.361 108.800 -0.244 0.000 2.531 26 G HA2 -0.301 3.660 3.960 0.000 0.000 0.274 26 G HA3 -0.301 3.660 3.960 0.000 0.000 0.274 26 G C 0.290 175.216 174.900 0.042 0.000 1.159 26 G CA 0.103 45.136 45.100 -0.111 0.000 0.969 26 G HN 0.740 nan 8.290 nan 0.000 0.554 27 L N 1.605 122.902 121.223 0.123 0.000 2.667 27 L HA 0.532 4.872 4.340 0.000 0.000 0.232 27 L C 1.627 178.625 176.870 0.213 0.000 1.138 27 L CA 0.503 55.480 54.840 0.229 0.000 0.921 27 L CB -0.126 42.105 42.059 0.286 0.000 1.180 27 L HN 0.762 nan 8.230 nan 0.000 0.487 28 A N 0.382 123.304 122.820 0.171 0.000 2.302 28 A HA 0.527 4.847 4.320 0.000 0.000 0.295 28 A C 1.251 178.913 177.584 0.130 0.000 1.235 28 A CA 0.466 52.589 52.037 0.142 0.000 0.876 28 A CB 0.043 19.136 19.000 0.153 0.000 1.133 28 A HN 0.484 nan 8.150 nan 0.000 0.533 29 G N 1.943 110.800 108.800 0.095 0.000 2.225 29 G HA2 -0.183 3.777 3.960 0.000 0.000 0.264 29 G HA3 -0.183 3.777 3.960 0.000 0.000 0.264 29 G C 0.072 175.037 174.900 0.109 0.000 1.060 29 G CA 0.471 45.627 45.100 0.093 0.000 0.833 29 G HN 1.932 nan 8.290 nan 0.000 0.498 30 I N -1.800 118.837 120.570 0.111 0.000 2.428 30 I HA 0.715 4.886 4.170 0.000 0.000 0.296 30 I C -2.072 174.092 176.117 0.079 0.000 0.985 30 I CA -3.143 58.192 61.300 0.059 0.000 1.260 30 I CB 1.952 39.935 38.000 -0.027 0.000 1.389 30 I HN -0.068 nan 8.210 nan 0.000 0.484 31 P HA 0.129 nan 4.420 nan 0.000 0.238 31 P C 0.032 177.350 177.300 0.031 0.000 1.794 31 P CA -0.181 62.978 63.100 0.097 0.000 1.088 31 P CB 0.213 31.958 31.700 0.075 0.000 1.923 32 E N 1.803 122.032 120.200 0.050 0.000 2.153 32 E HA -0.189 4.161 4.350 0.000 0.000 0.194 32 E C 1.007 177.575 176.600 -0.053 0.000 0.988 32 E CA 0.829 57.187 56.400 -0.070 0.000 0.811 32 E CB -0.477 29.212 29.700 -0.017 0.000 0.746 32 E HN 0.280 nan 8.360 nan 0.000 0.466 33 N N 0.902 119.582 118.700 -0.032 0.000 2.300 33 N HA -0.009 4.731 4.740 0.000 0.000 0.179 33 N C 1.984 177.470 175.510 -0.040 0.000 1.016 33 N CA 0.770 53.779 53.050 -0.069 0.000 0.876 33 N CB 0.048 38.469 38.487 -0.110 0.000 0.979 33 N HN 0.274 nan 8.380 nan 0.000 0.432 34 L N 0.645 121.858 121.223 -0.017 0.000 2.240 34 L HA 0.008 4.348 4.340 0.000 0.000 0.211 34 L C 1.952 178.793 176.870 -0.048 0.000 1.106 34 L CA 0.426 55.249 54.840 -0.027 0.000 0.793 34 L CB -0.161 41.895 42.059 -0.006 0.000 0.927 34 L HN 0.059 nan 8.230 nan 0.000 0.446 35 I N 0.355 120.891 120.570 -0.057 0.000 2.353 35 I HA -0.097 4.073 4.170 0.000 0.000 0.248 35 I C 2.630 178.707 176.117 -0.067 0.000 1.119 35 I CA 1.447 62.702 61.300 -0.075 0.000 1.417 35 I CB -1.714 36.218 38.000 -0.114 0.000 1.078 35 I HN 0.182 nan 8.210 nan 0.000 0.421 36 G N 0.622 109.384 108.800 -0.062 0.000 2.408 36 G HA2 -0.150 3.810 3.960 0.000 0.000 0.217 36 G HA3 -0.150 3.810 3.960 0.000 0.000 0.217 36 G C 1.806 176.680 174.900 -0.043 0.000 1.150 36 G CA 0.822 45.894 45.100 -0.047 0.000 0.776 36 G HN 0.467 nan 8.290 nan 0.000 0.542 37 A N 0.391 123.182 122.820 -0.047 0.000 2.014 37 A HA 0.226 4.546 4.320 0.000 0.000 0.218 37 A C 2.324 179.874 177.584 -0.057 0.000 1.163 37 A CA 0.755 52.764 52.037 -0.047 0.000 0.652 37 A CB -0.242 18.727 19.000 -0.052 0.000 0.808 37 A HN 0.351 nan 8.150 nan 0.000 0.449 38 L N -0.774 120.410 121.223 -0.064 0.000 2.217 38 L HA -0.061 4.279 4.340 0.000 0.000 0.211 38 L C 2.294 179.131 176.870 -0.055 0.000 1.107 38 L CA 0.493 55.290 54.840 -0.071 0.000 0.783 38 L CB -0.400 41.614 42.059 -0.075 0.000 0.919 38 L HN 0.364 nan 8.230 nan 0.000 0.442 39 L N -0.358 120.838 121.223 -0.045 0.000 2.156 39 L HA -0.171 4.169 4.340 0.000 0.000 0.208 39 L C 2.533 179.385 176.870 -0.029 0.000 1.095 39 L CA 1.235 56.055 54.840 -0.033 0.000 0.770 39 L CB -0.265 41.777 42.059 -0.027 0.000 0.914 39 L HN 0.220 nan 8.230 nan 0.000 0.439 40 K N -0.579 119.803 120.400 -0.030 0.000 2.116 40 K HA -0.091 4.229 4.320 0.000 0.000 0.203 40 K C 2.142 178.725 176.600 -0.028 0.000 1.052 40 K CA 1.729 58.001 56.287 -0.025 0.000 0.952 40 K CB -0.245 32.242 32.500 -0.022 0.000 0.729 40 K HN 0.410 nan 8.250 nan 0.000 0.446 41 T N -1.910 112.620 114.554 -0.040 0.000 2.821 41 T HA -0.027 4.324 4.350 0.000 0.000 0.267 41 T C 1.619 176.296 174.700 -0.039 0.000 1.046 41 T CA 1.100 63.173 62.100 -0.044 0.000 1.139 41 T CB -0.402 68.426 68.868 -0.068 0.000 0.871 41 T HN 0.378 nan 8.240 nan 0.000 0.454 42 G N 0.647 109.424 108.800 -0.039 0.000 2.143 42 G HA2 -0.213 3.747 3.960 0.000 0.000 0.248 42 G HA3 -0.213 3.747 3.960 0.000 0.000 0.248 42 G C 0.179 175.057 174.900 -0.037 0.000 0.991 42 G CA 0.096 45.177 45.100 -0.032 0.000 0.689 42 G HN 0.955 nan 8.290 nan 0.000 0.522 43 V N 0.999 120.883 119.914 -0.051 0.000 2.673 43 V HA 0.558 4.678 4.120 0.000 0.000 0.303 43 V C 0.766 176.833 176.094 -0.044 0.000 1.046 43 V CA 1.107 63.374 62.300 -0.056 0.000 1.126 43 V CB 0.851 32.621 31.823 -0.087 0.000 0.934 43 V HN 0.766 nan 8.190 nan 0.000 0.487 44 K N 3.667 124.047 120.400 -0.034 0.000 2.372 44 K HA 0.590 4.910 4.320 0.000 0.000 0.251 44 K C -0.049 176.539 176.600 -0.020 0.000 1.055 44 K CA -0.615 55.657 56.287 -0.025 0.000 0.879 44 K CB 1.309 33.797 32.500 -0.019 0.000 1.384 44 K HN 0.525 nan 8.250 nan 0.000 0.465 45 E N 0.388 120.580 120.200 -0.014 0.000 2.637 45 E HA -0.186 4.164 4.350 0.000 0.000 0.265 45 E C -0.641 175.955 176.600 -0.007 0.000 1.073 45 E CA 0.408 56.803 56.400 -0.009 0.000 0.778 45 E CB -1.427 28.270 29.700 -0.006 0.000 1.362 45 E HN 0.391 nan 8.360 nan 0.000 0.413 46 L N 0.517 121.733 121.223 -0.011 0.000 2.439 46 L HA 0.161 4.501 4.340 0.000 0.000 0.269 46 L C 0.910 177.779 176.870 -0.002 0.000 1.179 46 L CA 0.361 55.196 54.840 -0.008 0.000 0.828 46 L CB 0.726 42.775 42.059 -0.018 0.000 1.106 46 L HN -0.096 nan 8.230 nan 0.000 0.467 47 T N 2.533 117.090 114.554 0.005 0.000 2.781 47 T HA 0.464 4.815 4.350 0.000 0.000 0.305 47 T C 0.049 174.751 174.700 0.003 0.000 1.001 47 T CA -0.436 61.667 62.100 0.004 0.000 0.950 47 T CB 0.934 69.808 68.868 0.010 0.000 0.955 47 T HN 0.645 nan 8.240 nan 0.000 0.471 48 A N 3.847 126.664 122.820 -0.007 0.000 2.252 48 A HA 0.595 4.915 4.320 0.000 0.000 0.309 48 A C 0.068 177.634 177.584 -0.030 0.000 1.285 48 A CA -0.557 51.471 52.037 -0.015 0.000 0.900 48 A CB 0.395 19.382 19.000 -0.022 0.000 1.157 48 A HN 0.655 nan 8.150 nan 0.000 0.536 49 V N 3.202 123.099 119.914 -0.027 0.000 2.320 49 V HA 0.488 4.608 4.120 0.000 0.000 0.265 49 V C 0.434 176.477 176.094 -0.085 0.000 1.048 49 V CA 0.155 62.427 62.300 -0.046 0.000 0.865 49 V CB 0.375 32.190 31.823 -0.013 0.000 1.043 49 V HN 0.868 nan 8.190 nan 0.000 0.474 50 S N 3.293 118.906 115.700 -0.144 0.000 2.540 50 S HA 0.372 4.842 4.470 0.000 0.000 0.275 50 S C 0.776 175.183 174.600 -0.322 0.000 1.123 50 S CA -0.626 57.450 58.200 -0.206 0.000 0.907 50 S CB 1.800 64.912 63.200 -0.148 0.000 1.081 50 S HN 0.724 nan 8.310 nan 0.000 0.476 51 N N 3.505 121.903 118.700 -0.503 0.000 2.084 51 N HA -0.019 4.721 4.740 0.000 0.000 0.190 51 N C 0.302 175.615 175.510 -0.329 0.000 1.030 51 N CA 1.913 54.624 53.050 -0.565 0.000 0.849 51 N CB -0.071 37.980 38.487 -0.726 0.000 1.012 51 N HN 0.678 nan 8.380 nan 0.000 0.423 52 N N -2.173 116.352 118.700 -0.293 0.000 3.100 52 N HA 0.598 5.338 4.740 0.000 0.000 0.344 52 N C -0.944 174.410 175.510 -0.261 0.000 1.413 52 N CA -0.287 52.595 53.050 -0.281 0.000 0.752 52 N CB 1.146 39.478 38.487 -0.258 0.000 1.519 52 N HN 0.095 nan 8.380 nan 0.000 0.620 53 A N -0.425 122.227 122.820 -0.280 0.000 2.594 53 A HA 0.654 4.974 4.320 0.000 0.000 0.287 53 A C 0.925 178.436 177.584 -0.121 0.000 1.227 53 A CA 0.263 52.177 52.037 -0.206 0.000 0.952 53 A CB -1.085 17.743 19.000 -0.287 0.000 1.161 53 A HN 0.902 nan 8.150 nan 0.000 0.524 54 G N -0.375 108.361 108.800 -0.106 0.000 2.582 54 G HA2 -0.071 3.889 3.960 0.000 0.000 0.288 54 G HA3 -0.071 3.889 3.960 0.000 0.000 0.288 54 G C 0.440 175.341 174.900 0.000 0.000 1.247 54 G CA 1.017 46.101 45.100 -0.028 0.000 0.972 54 G HN 1.799 nan 8.290 nan 0.000 0.557 55 V N -3.455 116.501 119.914 0.070 0.000 3.182 55 V HA 0.736 4.856 4.120 0.000 0.000 0.311 55 V C 1.247 177.386 176.094 0.075 0.000 1.221 55 V CA 0.574 62.915 62.300 0.069 0.000 1.060 55 V CB 1.389 33.270 31.823 0.097 0.000 1.164 55 V HN 0.661 nan 8.190 nan 0.000 0.466 56 D N 1.442 121.883 120.400 0.069 0.000 2.149 56 D HA -0.148 4.492 4.640 0.000 0.000 0.198 56 D C 1.008 177.353 176.300 0.076 0.000 0.990 56 D CA 2.504 56.544 54.000 0.067 0.000 0.839 56 D CB -0.104 40.730 40.800 0.055 0.000 0.948 56 D HN 0.907 nan 8.370 nan 0.000 0.460 57 N N -1.234 117.528 118.700 0.104 0.000 2.282 57 N HA 0.144 4.884 4.740 0.000 0.000 0.240 57 N C -0.676 174.980 175.510 0.243 0.000 1.182 57 N CA -0.404 52.722 53.050 0.126 0.000 0.874 57 N CB 0.250 38.795 38.487 0.096 0.000 1.126 57 N HN -0.024 nan 8.380 nan 0.000 0.516 58 F N -0.290 119.666 119.950 0.011 0.000 2.678 58 F HA 0.612 5.139 4.527 0.001 0.000 0.308 58 F C 0.727 176.533 175.800 0.010 0.000 1.118 58 F CA 0.413 58.421 58.000 0.014 0.000 0.959 58 F CB 1.112 40.123 39.000 0.018 0.000 1.305 58 F HN 0.261 nan 8.300 nan 0.000 0.443 59 G N 3.103 111.468 108.800 -0.724 0.000 2.569 59 G HA2 -0.320 3.640 3.960 0.000 0.000 0.259 59 G HA3 -0.320 3.640 3.960 0.000 0.000 0.259 59 G C 0.466 175.237 174.900 -0.215 0.000 1.263 59 G CA 0.130 44.956 45.100 -0.456 0.000 0.928 59 G HN 1.362 nan 8.290 nan 0.000 0.572 60 L N 1.819 122.960 121.223 -0.137 0.000 2.129 60 L HA 0.079 4.419 4.340 0.000 0.000 0.212 60 L C 3.078 179.922 176.870 -0.043 0.000 1.087 60 L CA 3.316 58.106 54.840 -0.083 0.000 0.757 60 L CB -0.942 41.072 42.059 -0.074 0.000 0.896 60 L HN 1.219 nan 8.230 nan 0.000 0.434 61 G N -0.800 107.984 108.800 -0.027 0.000 2.485 61 G HA2 -0.271 3.689 3.960 0.000 0.000 0.221 61 G HA3 -0.271 3.689 3.960 0.000 0.000 0.221 61 G C 1.575 176.483 174.900 0.012 0.000 1.115 61 G CA 1.139 46.249 45.100 0.017 0.000 0.751 61 G HN 0.464 nan 8.290 nan 0.000 0.567 62 L N -0.391 120.823 121.223 -0.015 0.000 2.109 62 L HA 0.085 4.425 4.340 0.000 0.000 0.207 62 L C 2.719 179.580 176.870 -0.015 0.000 1.086 62 L CA 0.444 55.278 54.840 -0.011 0.000 0.760 62 L CB -0.250 41.789 42.059 -0.033 0.000 0.910 62 L HN 0.194 nan 8.230 nan 0.000 0.437 63 L N -0.723 120.485 121.223 -0.025 0.000 2.313 63 L HA -0.124 4.216 4.340 0.000 0.000 0.214 63 L C 2.279 179.145 176.870 -0.007 0.000 1.119 63 L CA 0.576 55.403 54.840 -0.022 0.000 0.809 63 L CB -0.182 41.858 42.059 -0.032 0.000 0.933 63 L HN 0.295 nan 8.230 nan 0.000 0.449 64 L N -0.944 120.283 121.223 0.006 0.000 2.131 64 L HA -0.117 4.224 4.340 0.000 0.000 0.206 64 L C 2.451 179.327 176.870 0.011 0.000 1.087 64 L CA 0.900 55.751 54.840 0.018 0.000 0.767 64 L CB -0.300 41.791 42.059 0.053 0.000 0.917 64 L HN 0.289 nan 8.230 nan 0.000 0.441 65 Q N -0.328 119.480 119.800 0.013 0.000 2.369 65 Q HA -0.106 4.235 4.340 0.000 0.000 0.206 65 Q C 2.024 178.026 176.000 0.003 0.000 0.963 65 Q CA 1.515 57.325 55.803 0.011 0.000 0.894 65 Q CB 0.057 28.805 28.738 0.017 0.000 0.965 65 Q HN 0.544 nan 8.270 nan 0.000 0.475 66 S N -0.528 115.171 115.700 -0.002 0.000 2.556 66 S HA 0.101 4.572 4.470 0.000 0.000 0.216 66 S C 0.332 174.927 174.600 -0.009 0.000 0.970 66 S CA -0.325 57.872 58.200 -0.006 0.000 0.912 66 S CB 0.387 63.580 63.200 -0.011 0.000 0.790 66 S HN 0.087 nan 8.310 nan 0.000 0.504 67 K N 0.574 120.969 120.400 -0.008 0.000 3.160 67 K HA -0.219 4.101 4.320 0.000 0.000 0.280 67 K C 0.334 176.927 176.600 -0.013 0.000 1.154 67 K CA 0.968 57.248 56.287 -0.011 0.000 0.822 67 K CB -2.458 30.035 32.500 -0.011 0.000 1.239 67 K HN 0.661 nan 8.250 nan 0.000 0.489 68 Q N -0.332 119.459 119.800 -0.015 0.000 2.424 68 Q HA 0.136 4.477 4.340 0.000 0.000 0.204 68 Q C 0.449 176.439 176.000 -0.018 0.000 0.933 68 Q CA 0.346 56.138 55.803 -0.019 0.000 0.929 68 Q CB 0.424 29.146 28.738 -0.026 0.000 1.037 68 Q HN 0.232 nan 8.270 nan 0.000 0.511 69 I N 1.458 122.020 120.570 -0.013 0.000 2.336 69 I HA 0.063 4.233 4.170 0.000 0.000 0.292 69 I C 0.942 177.054 176.117 -0.009 0.000 0.991 69 I CA 0.046 61.341 61.300 -0.009 0.000 1.227 69 I CB 1.514 39.514 38.000 -0.001 0.000 1.366 69 I HN 0.141 nan 8.210 nan 0.000 0.466 70 K N 5.976 126.372 120.400 -0.007 0.000 2.287 70 K HA 0.195 4.515 4.320 0.000 0.000 0.199 70 K C 0.766 177.363 176.600 -0.005 0.000 1.061 70 K CA 0.014 56.297 56.287 -0.007 0.000 0.976 70 K CB 0.854 33.351 32.500 -0.004 0.000 0.898 70 K HN 0.507 nan 8.250 nan 0.000 0.492 71 R N 0.666 121.164 120.500 -0.004 0.000 2.621 71 R HA 0.357 4.697 4.340 0.000 0.000 0.284 71 R C -1.369 174.929 176.300 -0.004 0.000 0.998 71 R CA -0.627 55.471 56.100 -0.004 0.000 0.895 71 R CB 1.560 31.858 30.300 -0.003 0.000 1.195 71 R HN 0.052 nan 8.270 nan 0.000 0.450 72 M N 5.668 125.266 119.600 -0.003 0.000 2.364 72 M HA 0.427 4.908 4.480 0.000 0.000 0.334 72 M C -0.677 175.603 176.300 -0.034 0.000 1.107 72 M CA -0.695 54.601 55.300 -0.007 0.000 0.988 72 M CB 1.989 34.617 32.600 0.047 0.000 1.673 72 M HN 0.534 nan 8.290 nan 0.000 0.441 73 I N 2.325 122.864 120.570 -0.051 0.000 2.437 73 I HA 0.354 4.524 4.170 0.000 0.000 0.279 73 I C -0.530 175.526 176.117 -0.101 0.000 1.028 73 I CA -0.066 61.198 61.300 -0.060 0.000 1.142 73 I CB 1.213 39.189 38.000 -0.041 0.000 1.266 73 I HN 0.643 nan 8.210 nan 0.000 0.461 74 S N 1.894 117.523 115.700 -0.119 0.000 2.651 74 S HA 0.326 4.796 4.470 0.000 0.000 0.279 74 S C 0.536 175.057 174.600 -0.131 0.000 1.148 74 S CA -0.587 57.513 58.200 -0.168 0.000 0.837 74 S CB 2.047 65.113 63.200 -0.223 0.000 1.138 74 S HN 0.657 nan 8.310 nan 0.000 0.478 75 S N -0.296 115.330 115.700 -0.123 0.000 2.497 75 S HA 0.295 4.765 4.470 0.000 0.000 0.218 75 S C -0.230 174.411 174.600 0.069 0.000 1.023 75 S CA 0.057 58.233 58.200 -0.040 0.000 0.913 75 S CB -0.028 63.161 63.200 -0.018 0.000 0.800 75 S HN 0.740 nan 8.310 nan 0.000 0.505 76 Y N -0.387 119.816 120.300 -0.162 0.000 2.424 76 Y HA 0.520 5.070 4.550 0.000 0.000 0.323 76 Y C -0.178 175.562 175.900 -0.266 0.000 1.174 76 Y CA -1.024 56.983 58.100 -0.153 0.000 1.060 76 Y CB 1.129 39.526 38.460 -0.105 0.000 1.314 76 Y HN -0.164 nan 8.280 nan 0.000 0.439 77 V N 4.392 123.652 119.914 -1.089 0.000 2.735 77 V HA 0.295 4.415 4.120 0.000 0.000 0.234 77 V C 1.592 177.091 176.094 -0.992 0.000 1.121 77 V CA 1.383 63.063 62.300 -1.033 0.000 1.160 77 V CB -0.374 30.698 31.823 -1.252 0.000 0.908 77 V HN 1.274 nan 8.190 nan 0.000 0.495 78 G N 0.761 108.962 108.800 -0.998 0.000 2.665 78 G HA2 -0.379 3.581 3.960 0.000 0.000 0.326 78 G HA3 -0.379 3.581 3.960 0.000 0.000 0.326 78 G C 0.276 175.073 174.900 -0.172 0.000 1.231 78 G CA 0.575 45.387 45.100 -0.481 0.000 0.992 78 G HN 0.564 nan 8.290 nan 0.000 0.549 79 E N 2.280 122.438 120.200 -0.069 0.000 2.443 79 E HA 0.226 4.577 4.350 0.000 0.000 0.310 79 E C 0.129 176.719 176.600 -0.018 0.000 1.202 79 E CA 0.147 56.541 56.400 -0.010 0.000 1.301 79 E CB -0.299 29.419 29.700 0.030 0.000 1.104 79 E HN 0.354 nan 8.360 nan 0.000 0.487 80 N N 0.592 119.286 118.700 -0.009 0.000 2.793 80 N HA 0.125 4.865 4.740 0.000 0.000 0.251 80 N C -0.021 175.553 175.510 0.107 0.000 1.308 80 N CA -0.077 52.995 53.050 0.036 0.000 0.781 80 N CB 1.050 39.539 38.487 0.004 0.000 1.439 80 N HN 0.157 nan 8.380 nan 0.000 0.562 81 A N 2.023 124.892 122.820 0.082 0.000 1.933 81 A HA -0.165 4.155 4.320 0.000 0.000 0.218 81 A C 1.820 179.458 177.584 0.090 0.000 1.175 81 A CA 1.792 53.878 52.037 0.081 0.000 0.628 81 A CB -0.295 18.735 19.000 0.049 0.000 0.814 81 A HN 0.664 nan 8.150 nan 0.000 0.444 82 E N -0.528 119.725 120.200 0.087 0.000 2.058 82 E HA -0.213 4.137 4.350 0.000 0.000 0.194 82 E C 1.646 178.296 176.600 0.083 0.000 0.997 82 E CA 1.764 58.206 56.400 0.070 0.000 0.801 82 E CB -0.525 29.215 29.700 0.066 0.000 0.746 82 E HN 0.587 nan 8.360 nan 0.000 0.450 83 F N 1.441 121.394 119.950 0.004 0.000 2.134 83 F HA -0.133 4.394 4.527 -0.000 0.000 0.299 83 F C 2.197 178.038 175.800 0.070 0.000 1.097 83 F CA 2.185 60.191 58.000 0.009 0.000 1.264 83 F CB -0.496 38.480 39.000 -0.040 0.000 1.001 83 F HN 0.165 nan 8.300 nan 0.000 0.479 84 E N 0.364 120.727 120.200 0.272 0.000 2.070 84 E HA -0.310 4.040 4.350 0.000 0.000 0.197 84 E C 2.571 179.177 176.600 0.010 0.000 1.004 84 E CA 1.525 58.045 56.400 0.199 0.000 0.805 84 E CB -0.364 29.445 29.700 0.182 0.000 0.744 84 E HN 0.452 nan 8.360 nan 0.000 0.451 85 R N 0.106 120.601 120.500 -0.009 0.000 2.070 85 R HA -0.195 4.145 4.340 0.000 0.000 0.232 85 R C 2.557 178.814 176.300 -0.072 0.000 1.138 85 R CA 2.146 58.222 56.100 -0.039 0.000 0.936 85 R CB -0.218 30.069 30.300 -0.022 0.000 0.839 85 R HN 0.320 nan 8.270 nan 0.000 0.429 86 Q N -0.856 118.886 119.800 -0.097 0.000 2.077 86 Q HA -0.256 4.084 4.340 0.000 0.000 0.206 86 Q C 2.012 177.958 176.000 -0.089 0.000 0.989 86 Q CA 1.975 57.717 55.803 -0.103 0.000 0.853 86 Q CB -0.376 28.285 28.738 -0.129 0.000 0.907 86 Q HN 0.401 nan 8.270 nan 0.000 0.418 87 Y N 1.282 121.340 120.300 -0.403 0.000 2.097 87 Y HA -0.202 4.348 4.550 -0.000 0.000 0.282 87 Y C 1.811 177.701 175.900 -0.017 0.000 1.152 87 Y CA 1.369 59.271 58.100 -0.330 0.000 1.136 87 Y CB -0.401 37.672 38.460 -0.645 0.000 0.975 87 Y HN 0.030 nan 8.280 nan 0.000 0.498 88 L N -0.700 120.436 121.223 -0.146 0.000 2.217 88 L HA -0.076 4.264 4.340 0.000 0.000 0.211 88 L C 2.592 179.362 176.870 -0.166 0.000 1.107 88 L CA 0.910 55.579 54.840 -0.284 0.000 0.783 88 L CB -0.853 41.037 42.059 -0.283 0.000 0.919 88 L HN 0.242 nan 8.230 nan 0.000 0.442 89 A N -0.266 122.501 122.820 -0.089 0.000 2.067 89 A HA 0.188 4.509 4.320 0.000 0.000 0.217 89 A C 1.831 179.402 177.584 -0.021 0.000 1.156 89 A CA 1.083 53.086 52.037 -0.057 0.000 0.683 89 A CB -0.344 18.628 19.000 -0.047 0.000 0.808 89 A HN 0.515 nan 8.150 nan 0.000 0.455 90 G N -0.950 107.855 108.800 0.008 0.000 2.144 90 G HA2 -0.209 3.751 3.960 0.000 0.000 0.218 90 G HA3 -0.209 3.751 3.960 0.000 0.000 0.218 90 G C 0.281 175.190 174.900 0.016 0.000 0.988 90 G CA 0.450 45.570 45.100 0.033 0.000 0.659 90 G HN 0.578 nan 8.290 nan 0.000 0.522 91 E N -1.023 119.176 120.200 -0.001 0.000 2.479 91 E HA 0.414 4.764 4.350 0.000 0.000 0.193 91 E C 0.373 176.965 176.600 -0.014 0.000 1.049 91 E CA 0.243 56.636 56.400 -0.011 0.000 0.870 91 E CB 0.659 30.345 29.700 -0.024 0.000 0.944 91 E HN 0.473 nan 8.360 nan 0.000 0.492 92 L N 0.729 121.951 121.223 -0.001 0.000 2.526 92 L HA 0.300 4.640 4.340 0.000 0.000 0.263 92 L C -1.571 175.323 176.870 0.039 0.000 0.943 92 L CA -0.539 54.292 54.840 -0.015 0.000 0.859 92 L CB 2.081 44.076 42.059 -0.107 0.000 1.313 92 L HN -0.240 nan 8.230 nan 0.000 0.406 93 E N 3.398 123.608 120.200 0.017 0.000 2.283 93 E HA 0.640 4.990 4.350 0.000 0.000 0.278 93 E C -1.223 175.368 176.600 -0.015 0.000 1.027 93 E CA -0.557 55.860 56.400 0.029 0.000 0.843 93 E CB 2.005 31.712 29.700 0.012 0.000 1.062 93 E HN 0.428 nan 8.360 nan 0.000 0.401 94 V N 3.062 122.958 119.914 -0.030 0.000 2.577 94 V HA 0.194 4.314 4.120 0.000 0.000 0.303 94 V C -0.585 175.480 176.094 -0.047 0.000 1.042 94 V CA -0.770 61.459 62.300 -0.119 0.000 0.872 94 V CB 1.863 33.397 31.823 -0.483 0.000 0.998 94 V HN 0.675 nan 8.190 nan 0.000 0.423 95 E N 4.574 124.751 120.200 -0.038 0.000 2.063 95 E HA 0.429 4.779 4.350 0.000 0.000 0.265 95 E C -0.927 175.659 176.600 -0.024 0.000 0.919 95 E CA -0.417 55.974 56.400 -0.016 0.000 0.756 95 E CB 1.334 31.022 29.700 -0.020 0.000 1.120 95 E HN 0.551 nan 8.360 nan 0.000 0.414 96 L N 3.652 124.883 121.223 0.013 0.000 2.385 96 L HA 0.180 4.520 4.340 0.000 0.000 0.281 96 L C 0.010 176.856 176.870 -0.039 0.000 1.106 96 L CA 0.231 55.080 54.840 0.015 0.000 0.856 96 L CB 0.182 42.329 42.059 0.146 0.000 1.186 96 L HN 0.384 nan 8.230 nan 0.000 0.453 97 T N 3.899 118.412 114.554 -0.070 0.000 2.841 97 T HA 0.369 4.719 4.350 0.000 0.000 0.283 97 T C -2.486 172.143 174.700 -0.117 0.000 1.000 97 T CA -1.687 60.360 62.100 -0.088 0.000 0.977 97 T CB 1.932 70.763 68.868 -0.061 0.000 0.979 97 T HN 0.212 nan 8.240 nan 0.000 0.446 98 P HA 0.078 nan 4.420 nan 0.000 0.264 98 P C 0.836 178.025 177.300 -0.185 0.000 1.193 98 P CA 0.094 63.084 63.100 -0.183 0.000 0.763 98 P CB 0.573 32.166 31.700 -0.179 0.000 0.810 99 Q N 2.970 122.638 119.800 -0.219 0.000 2.077 99 Q HA -0.196 4.144 4.340 0.000 0.000 0.206 99 Q C 2.132 177.772 176.000 -0.600 0.000 0.989 99 Q CA 2.350 58.024 55.803 -0.215 0.000 0.853 99 Q CB -0.750 27.955 28.738 -0.055 0.000 0.907 99 Q HN 0.701 nan 8.270 nan 0.000 0.418 100 G N -0.892 107.106 108.800 -1.337 0.000 2.422 100 G HA2 -0.240 3.720 3.960 0.000 0.000 0.218 100 G HA3 -0.240 3.720 3.960 0.000 0.000 0.218 100 G C 1.341 176.069 174.900 -0.287 0.000 1.146 100 G CA 1.263 45.656 45.100 -1.178 0.000 0.769 100 G HN 0.347 nan 8.290 nan 0.000 0.547 101 T N 0.897 115.352 114.554 -0.165 0.000 2.777 101 T HA -0.083 4.267 4.350 0.000 0.000 0.266 101 T C 2.239 176.988 174.700 0.082 0.000 1.040 101 T CA 1.076 63.196 62.100 0.033 0.000 1.141 101 T CB -0.191 68.682 68.868 0.008 0.000 0.868 101 T HN 0.131 nan 8.240 nan 0.000 0.444 102 L N 1.576 122.824 121.223 0.043 0.000 2.017 102 L HA 0.034 4.374 4.340 0.000 0.000 0.208 102 L C 2.606 179.616 176.870 0.235 0.000 1.073 102 L CA 2.031 56.950 54.840 0.132 0.000 0.745 102 L CB -1.056 41.080 42.059 0.129 0.000 0.894 102 L HN 0.218 nan 8.230 nan 0.000 0.432 103 A N -1.066 121.896 122.820 0.237 0.000 1.933 103 A HA -0.230 4.090 4.320 0.000 0.000 0.218 103 A C 2.251 179.846 177.584 0.019 0.000 1.175 103 A CA 1.723 53.799 52.037 0.065 0.000 0.628 103 A CB -0.664 18.211 19.000 -0.208 0.000 0.814 103 A HN 0.528 nan 8.150 nan 0.000 0.444 104 E N 0.094 120.313 120.200 0.031 0.000 2.107 104 E HA -0.095 4.255 4.350 0.000 0.000 0.191 104 E C 2.159 178.815 176.600 0.093 0.000 0.982 104 E CA 1.175 57.545 56.400 -0.049 0.000 0.809 104 E CB -0.202 29.415 29.700 -0.139 0.000 0.756 104 E HN 0.613 nan 8.360 nan 0.000 0.459 105 R N -0.294 120.377 120.500 0.285 0.000 2.092 105 R HA 0.008 4.348 4.340 0.000 0.000 0.231 105 R C 2.451 178.850 176.300 0.165 0.000 1.119 105 R CA 1.390 57.679 56.100 0.314 0.000 0.970 105 R CB -0.329 30.083 30.300 0.187 0.000 0.864 105 R HN 0.246 nan 8.270 nan 0.000 0.440 106 I N 0.433 121.075 120.570 0.120 0.000 2.252 106 I HA -0.256 3.915 4.170 0.000 0.000 0.245 106 I C 2.803 178.942 176.117 0.036 0.000 1.102 106 I CA 0.972 62.321 61.300 0.081 0.000 1.385 106 I CB -0.227 37.837 38.000 0.107 0.000 1.064 106 I HN 0.093 nan 8.210 nan 0.000 0.414 107 R N 1.444 121.947 120.500 0.005 0.000 2.081 107 R HA -0.150 4.190 4.340 0.000 0.000 0.235 107 R C 2.226 178.511 176.300 -0.025 0.000 1.131 107 R CA 1.862 57.934 56.100 -0.047 0.000 0.960 107 R CB -0.467 29.773 30.300 -0.099 0.000 0.856 107 R HN 0.376 nan 8.270 nan 0.000 0.436 108 A N -0.132 122.696 122.820 0.013 0.000 1.972 108 A HA -0.056 4.264 4.320 0.000 0.000 0.219 108 A C 2.332 179.959 177.584 0.071 0.000 1.169 108 A CA 1.643 53.716 52.037 0.061 0.000 0.635 108 A CB -0.927 18.218 19.000 0.242 0.000 0.810 108 A HN 0.516 nan 8.150 nan 0.000 0.446 109 G N -0.757 108.085 108.800 0.070 0.000 2.432 109 G HA2 0.076 4.036 3.960 0.000 0.000 0.219 109 G HA3 0.076 4.036 3.960 0.000 0.000 0.219 109 G C 1.342 176.269 174.900 0.045 0.000 1.135 109 G CA 1.158 46.291 45.100 0.056 0.000 0.767 109 G HN 0.698 nan 8.290 nan 0.000 0.550 110 G N -0.018 108.801 108.800 0.031 0.000 2.744 110 G HA2 0.319 4.279 3.960 0.000 0.000 0.211 110 G HA3 0.319 4.279 3.960 0.000 0.000 0.211 110 G C 1.402 176.345 174.900 0.072 0.000 1.146 110 G CA 0.958 46.085 45.100 0.045 0.000 0.787 110 G HN 0.566 nan 8.290 nan 0.000 0.534 111 A N -0.068 122.779 122.820 0.045 0.000 2.379 111 A HA 0.512 4.833 4.320 0.000 0.000 0.236 111 A C 1.836 179.447 177.584 0.045 0.000 1.272 111 A CA 0.959 53.024 52.037 0.047 0.000 0.886 111 A CB -0.476 18.532 19.000 0.015 0.000 0.962 111 A HN 1.381 nan 8.150 nan 0.000 0.504 112 G N -1.163 107.667 108.800 0.049 0.000 2.153 112 G HA2 -0.207 3.753 3.960 0.000 0.000 0.252 112 G HA3 -0.207 3.753 3.960 0.000 0.000 0.252 112 G C 0.103 175.028 174.900 0.042 0.000 0.994 112 G CA 0.322 45.448 45.100 0.043 0.000 0.698 112 G HN 0.856 nan 8.290 nan 0.000 0.521 113 V N 1.846 121.792 119.914 0.052 0.000 2.333 113 V HA 0.325 4.445 4.120 0.000 0.000 0.274 113 V C 0.014 176.156 176.094 0.080 0.000 1.028 113 V CA -0.700 61.642 62.300 0.069 0.000 0.851 113 V CB 1.550 33.423 31.823 0.085 0.000 1.000 113 V HN 0.185 nan 8.190 nan 0.000 0.456 114 P HA 0.069 nan 4.420 nan 0.000 0.219 114 P C 0.301 177.602 177.300 0.003 0.000 1.150 114 P CA 1.017 64.134 63.100 0.027 0.000 0.814 114 P CB 0.818 32.525 31.700 0.011 0.000 0.787 115 A N -1.119 121.704 122.820 0.005 0.000 2.610 115 A HA 0.679 5.000 4.320 0.000 0.000 0.291 115 A C -1.474 176.086 177.584 -0.040 0.000 1.086 115 A CA -0.623 51.341 52.037 -0.121 0.000 0.677 115 A CB 0.649 19.525 19.000 -0.207 0.000 1.278 115 A HN 0.141 nan 8.150 nan 0.000 0.414 116 F N -2.158 117.672 119.950 -0.200 0.000 2.773 116 F HA 0.806 5.333 4.527 0.000 0.000 0.314 116 F C -1.875 173.750 175.800 -0.292 0.000 1.160 116 F CA -1.431 56.460 58.000 -0.182 0.000 0.920 116 F CB 0.618 39.574 39.000 -0.073 0.000 1.323 116 F HN 0.515 nan 8.300 nan 0.000 0.457 117 Y N 0.099 120.531 120.300 0.220 0.000 2.420 117 Y HA 0.692 5.242 4.550 0.000 0.000 0.334 117 Y C 0.376 176.498 175.900 0.370 0.000 1.094 117 Y CA -0.608 57.601 58.100 0.181 0.000 1.126 117 Y CB 2.114 40.624 38.460 0.084 0.000 1.217 117 Y HN 0.903 nan 8.280 nan 0.000 0.462 118 T N -0.525 114.369 114.554 0.567 0.000 2.889 118 T HA 0.277 4.628 4.350 0.000 0.000 0.315 118 T C 0.346 175.347 174.700 0.501 0.000 1.291 118 T CA -0.210 62.223 62.100 0.556 0.000 1.028 118 T CB 0.917 70.049 68.868 0.440 0.000 1.235 118 T HN 0.656 nan 8.240 nan 0.000 0.491 119 S N 1.329 117.234 115.700 0.343 0.000 2.524 119 S HA 0.162 4.632 4.470 0.000 0.000 0.216 119 S C 0.855 175.521 174.600 0.110 0.000 0.987 119 S CA -0.068 58.145 58.200 0.021 0.000 0.909 119 S CB -0.314 62.722 63.200 -0.273 0.000 0.781 119 S HN 0.737 nan 8.310 nan 0.000 0.521 120 T N 2.384 117.018 114.554 0.134 0.000 2.928 120 T HA 0.469 4.820 4.350 0.000 0.000 0.305 120 T C 1.419 176.158 174.700 0.066 0.000 1.035 120 T CA 0.828 62.976 62.100 0.081 0.000 1.145 120 T CB 0.510 69.415 68.868 0.060 0.000 0.963 120 T HN 0.822 nan 8.240 nan 0.000 0.545 121 G N 2.010 110.816 108.800 0.010 0.000 2.225 121 G HA2 -0.291 3.669 3.960 0.000 0.000 0.254 121 G HA3 -0.291 3.669 3.960 0.000 0.000 0.254 121 G C 0.086 174.992 174.900 0.011 0.000 0.988 121 G CA 0.162 45.247 45.100 -0.025 0.000 0.625 121 G HN 0.832 nan 8.290 nan 0.000 0.527 122 Y N 1.601 121.894 120.300 -0.011 0.000 2.620 122 Y HA 0.354 4.904 4.550 0.000 0.000 0.330 122 Y C 1.483 177.374 175.900 -0.015 0.000 1.186 122 Y CA 1.093 59.191 58.100 -0.004 0.000 1.467 122 Y CB 0.647 39.092 38.460 -0.025 0.000 1.262 122 Y HN 1.474 nan 8.280 nan 0.000 0.550 123 G N 3.269 111.434 108.800 -1.057 0.000 2.148 123 G HA2 -0.249 3.711 3.960 0.000 0.000 0.254 123 G HA3 -0.249 3.711 3.960 0.000 0.000 0.254 123 G C 0.110 174.846 174.900 -0.273 0.000 0.981 123 G CA 0.552 45.220 45.100 -0.720 0.000 0.670 123 G HN 1.204 nan 8.290 nan 0.000 0.528 124 T N -3.366 111.082 114.554 -0.175 0.000 2.773 124 T HA 0.700 5.050 4.350 0.000 0.000 0.278 124 T C 1.440 176.149 174.700 0.016 0.000 1.011 124 T CA -0.244 61.843 62.100 -0.022 0.000 1.014 124 T CB 1.162 70.023 68.868 -0.012 0.000 1.293 124 T HN 0.214 nan 8.240 nan 0.000 0.554 125 L N 0.673 121.972 121.223 0.128 0.000 2.353 125 L HA -0.028 4.312 4.340 0.000 0.000 0.220 125 L C 2.624 179.537 176.870 0.072 0.000 1.133 125 L CA 0.547 55.468 54.840 0.135 0.000 0.798 125 L CB -0.580 41.646 42.059 0.279 0.000 0.922 125 L HN 0.540 nan 8.230 nan 0.000 0.445 126 V N -0.332 119.592 119.914 0.017 0.000 2.358 126 V HA -0.260 3.861 4.120 0.000 0.000 0.246 126 V C 2.412 178.506 176.094 0.000 0.000 1.047 126 V CA 1.823 64.113 62.300 -0.017 0.000 1.035 126 V CB -0.354 31.427 31.823 -0.070 0.000 0.658 126 V HN 0.544 nan 8.190 nan 0.000 0.452 127 Q N -0.059 119.740 119.800 -0.001 0.000 2.204 127 Q HA -0.121 4.219 4.340 0.000 0.000 0.198 127 Q C 2.020 178.030 176.000 0.017 0.000 0.946 127 Q CA 1.329 57.145 55.803 0.023 0.000 0.859 127 Q CB 0.166 28.921 28.738 0.029 0.000 0.946 127 Q HN 0.712 nan 8.270 nan 0.000 0.474 128 E N -0.171 120.027 120.200 -0.003 0.000 2.299 128 E HA 0.135 4.485 4.350 0.000 0.000 0.193 128 E C 0.617 177.229 176.600 0.019 0.000 0.998 128 E CA 0.463 56.865 56.400 0.004 0.000 0.851 128 E CB 0.256 29.950 29.700 -0.011 0.000 0.795 128 E HN 0.517 nan 8.360 nan 0.000 0.492 129 G N -0.973 107.844 108.800 0.028 0.000 2.685 129 G HA2 -0.017 3.944 3.960 0.000 0.000 0.387 129 G HA3 -0.017 3.944 3.960 0.000 0.000 0.387 129 G C 0.625 175.550 174.900 0.041 0.000 1.324 129 G CA -0.548 44.570 45.100 0.030 0.000 0.878 129 G HN 0.648 nan 8.290 nan 0.000 0.527 130 G N -1.854 106.967 108.800 0.034 0.000 2.195 130 G HA2 0.056 4.017 3.960 0.000 0.000 0.246 130 G HA3 0.056 4.017 3.960 0.000 0.000 0.246 130 G C 0.986 175.916 174.900 0.050 0.000 0.984 130 G CA 1.615 46.735 45.100 0.035 0.000 0.633 130 G HN 2.354 nan 8.290 nan 0.000 0.525 131 S N 2.824 118.571 115.700 0.079 0.000 2.533 131 S HA 0.499 4.969 4.470 0.000 0.000 0.282 131 S C -1.670 172.963 174.600 0.055 0.000 1.304 131 S CA -0.440 57.833 58.200 0.122 0.000 1.063 131 S CB 0.892 64.196 63.200 0.174 0.000 0.881 131 S HN 0.344 nan 8.310 nan 0.000 0.493 132 P HA 0.134 nan 4.420 nan 0.000 0.271 132 P C 0.217 177.499 177.300 -0.031 0.000 1.233 132 P CA 0.088 63.102 63.100 -0.143 0.000 0.764 132 P CB 0.475 31.957 31.700 -0.364 0.000 0.825 133 I N 2.305 122.837 120.570 -0.064 0.000 3.039 133 I HA 0.145 4.316 4.170 0.000 0.000 0.270 133 I C 1.223 177.366 176.117 0.044 0.000 1.150 133 I CA 0.669 61.984 61.300 0.024 0.000 1.448 133 I CB 0.241 38.241 38.000 -0.001 0.000 1.197 133 I HN 0.302 nan 8.210 nan 0.000 0.450 134 K N 0.310 120.650 120.400 -0.100 0.000 2.513 134 K HA 0.390 4.710 4.320 0.000 0.000 0.251 134 K C -1.774 174.697 176.600 -0.215 0.000 0.939 134 K CA -0.538 55.699 56.287 -0.084 0.000 0.793 134 K CB 1.906 34.395 32.500 -0.019 0.000 1.241 134 K HN -0.233 nan 8.250 nan 0.000 0.431 135 Y N 1.256 121.515 120.300 -0.069 0.000 2.419 135 Y HA 0.337 4.887 4.550 0.000 0.000 0.328 135 Y C 0.675 176.529 175.900 -0.077 0.000 1.162 135 Y CA -0.619 57.413 58.100 -0.114 0.000 1.174 135 Y CB 1.258 39.586 38.460 -0.220 0.000 1.228 135 Y HN 0.529 nan 8.280 nan 0.000 0.473 136 N N 1.324 120.101 118.700 0.130 0.000 2.493 136 N HA 0.147 4.888 4.740 0.000 0.000 0.275 136 N C 0.684 176.207 175.510 0.023 0.000 1.186 136 N CA -0.328 52.753 53.050 0.051 0.000 0.978 136 N CB 1.127 39.634 38.487 0.033 0.000 1.184 136 N HN 0.606 nan 8.380 nan 0.000 0.487 137 K N 0.342 120.741 120.400 -0.001 0.000 2.160 137 K HA -0.186 4.134 4.320 0.000 0.000 0.206 137 K C 1.159 177.735 176.600 -0.041 0.000 1.047 137 K CA 1.451 57.724 56.287 -0.024 0.000 0.930 137 K CB 0.021 32.508 32.500 -0.021 0.000 0.720 137 K HN 0.625 nan 8.250 nan 0.000 0.450 138 D N -0.977 119.405 120.400 -0.029 0.000 2.149 138 D HA -0.114 4.526 4.640 0.000 0.000 0.201 138 D C 1.432 177.695 176.300 -0.062 0.000 0.972 138 D CA 1.762 55.739 54.000 -0.039 0.000 0.835 138 D CB 0.187 40.974 40.800 -0.023 0.000 0.966 138 D HN 0.338 nan 8.370 nan 0.000 0.476 139 G N 0.197 108.963 108.800 -0.057 0.000 2.485 139 G HA2 -0.177 3.784 3.960 0.000 0.000 0.181 139 G HA3 -0.177 3.784 3.960 0.000 0.000 0.181 139 G C 0.373 175.269 174.900 -0.006 0.000 0.999 139 G CA 0.317 45.350 45.100 -0.112 0.000 0.721 139 G HN 0.694 nan 8.290 nan 0.000 0.486 140 S N 0.438 116.162 115.700 0.039 0.000 2.600 140 S HA 0.673 5.143 4.470 0.000 0.000 0.265 140 S C 0.537 175.225 174.600 0.146 0.000 1.325 140 S CA -0.472 57.773 58.200 0.074 0.000 1.002 140 S CB 1.214 64.434 63.200 0.033 0.000 0.921 140 S HN 0.485 nan 8.310 nan 0.000 0.554 141 I N 1.560 122.191 120.570 0.101 0.000 2.474 141 I HA 0.303 4.473 4.170 0.000 0.000 0.287 141 I C 1.184 177.298 176.117 -0.006 0.000 1.048 141 I CA -0.389 60.924 61.300 0.022 0.000 1.383 141 I CB 1.110 39.086 38.000 -0.041 0.000 1.412 141 I HN 0.912 nan 8.210 nan 0.000 0.531 142 A N 7.277 130.076 122.820 -0.034 0.000 1.973 142 A HA 0.397 4.717 4.320 0.000 0.000 0.210 142 A C 0.826 178.391 177.584 -0.032 0.000 1.200 142 A CA 0.736 52.761 52.037 -0.020 0.000 0.707 142 A CB 0.246 19.240 19.000 -0.009 0.000 0.862 142 A HN 0.624 nan 8.150 nan 0.000 0.461 143 I N -0.016 120.519 120.570 -0.059 0.000 2.529 143 I HA 0.509 4.679 4.170 0.000 0.000 0.284 143 I C -0.445 175.637 176.117 -0.058 0.000 1.088 143 I CA -0.499 60.774 61.300 -0.044 0.000 1.062 143 I CB 1.937 39.919 38.000 -0.030 0.000 1.218 143 I HN 0.168 nan 8.210 nan 0.000 0.442 144 A N 4.380 127.179 122.820 -0.036 0.000 2.324 144 A HA 0.748 5.068 4.320 0.000 0.000 0.330 144 A C 0.349 177.929 177.584 -0.005 0.000 1.165 144 A CA -0.503 51.519 52.037 -0.025 0.000 0.813 144 A CB 1.161 20.152 19.000 -0.015 0.000 1.197 144 A HN 0.778 nan 8.150 nan 0.000 0.484 145 S N 2.066 117.771 115.700 0.008 0.000 2.563 145 S HA 0.228 4.698 4.470 0.000 0.000 0.269 145 S C -0.040 174.566 174.600 0.010 0.000 1.364 145 S CA -0.036 58.171 58.200 0.012 0.000 1.010 145 S CB 0.235 63.450 63.200 0.024 0.000 0.877 145 S HN 0.573 nan 8.310 nan 0.000 0.549 146 K N 1.743 122.147 120.400 0.006 0.000 2.118 146 K HA 0.548 4.868 4.320 0.000 0.000 0.254 146 K C -2.454 174.151 176.600 0.009 0.000 0.961 146 K CA -2.457 53.834 56.287 0.007 0.000 0.876 146 K CB 0.619 33.120 32.500 0.002 0.000 1.077 146 K HN 0.542 nan 8.250 nan 0.000 0.440 147 P HA 0.097 nan 4.420 nan 0.000 0.268 147 P C -0.407 176.905 177.300 0.021 0.000 1.208 147 P CA -0.112 63.001 63.100 0.021 0.000 0.777 147 P CB 0.689 32.405 31.700 0.026 0.000 0.875 148 R N 1.266 121.786 120.500 0.033 0.000 2.668 148 R HA 0.328 4.668 4.340 0.000 0.000 0.279 148 R C 0.311 176.654 176.300 0.072 0.000 0.976 148 R CA -0.918 55.202 56.100 0.034 0.000 0.978 148 R CB 0.984 31.303 30.300 0.032 0.000 1.133 148 R HN 0.545 nan 8.270 nan 0.000 0.484 149 E N 0.920 121.161 120.200 0.067 0.000 2.414 149 E HA 0.095 4.445 4.350 0.000 0.000 0.263 149 E C -0.504 176.212 176.600 0.194 0.000 1.000 149 E CA 0.049 56.517 56.400 0.114 0.000 0.914 149 E CB 0.973 30.740 29.700 0.112 0.000 0.948 149 E HN 0.112 nan 8.360 nan 0.000 0.444 150 V N 4.120 124.148 119.914 0.189 0.000 2.483 150 V HA 0.499 4.620 4.120 0.000 0.000 0.295 150 V C -0.085 176.074 176.094 0.109 0.000 1.035 150 V CA -0.554 61.874 62.300 0.213 0.000 0.896 150 V CB 1.657 33.625 31.823 0.242 0.000 0.986 150 V HN 0.612 nan 8.190 nan 0.000 0.447 151 R N 2.633 123.165 120.500 0.054 0.000 2.584 151 R HA 0.399 4.739 4.340 0.000 0.000 0.276 151 R C -0.941 175.132 176.300 -0.379 0.000 1.046 151 R CA -0.544 55.413 56.100 -0.238 0.000 0.906 151 R CB 1.946 32.026 30.300 -0.368 0.000 1.215 151 R HN 0.849 nan 8.270 nan 0.000 0.449 152 E N 4.086 123.924 120.200 -0.604 0.000 2.266 152 E HA 0.261 4.612 4.350 0.000 0.000 0.277 152 E C -1.476 174.713 176.600 -0.686 0.000 1.018 152 E CA -0.312 55.781 56.400 -0.511 0.000 0.840 152 E CB 0.753 30.140 29.700 -0.522 0.000 1.082 152 E HN 0.389 nan 8.360 nan 0.000 0.395 153 F N 2.732 122.689 119.950 0.013 0.000 2.617 153 F HA 0.259 4.786 4.527 0.000 0.000 0.325 153 F C 0.118 175.941 175.800 0.039 0.000 1.179 153 F CA -0.726 57.215 58.000 -0.099 0.000 0.965 153 F CB 1.139 39.883 39.000 -0.426 0.000 1.232 153 F HN 0.687 nan 8.300 nan 0.000 0.461 154 N N 1.659 120.444 118.700 0.141 0.000 2.747 154 N HA -0.194 4.547 4.740 0.000 0.000 0.249 154 N C 0.981 176.553 175.510 0.104 0.000 1.107 154 N CA 0.480 53.596 53.050 0.110 0.000 0.707 154 N CB -0.938 37.624 38.487 0.125 0.000 1.054 154 N HN 1.219 nan 8.380 nan 0.000 0.555 155 G N -0.444 108.395 108.800 0.066 0.000 2.179 155 G HA2 -0.382 3.578 3.960 0.000 0.000 0.260 155 G HA3 -0.382 3.578 3.960 0.000 0.000 0.260 155 G C -0.154 174.802 174.900 0.093 0.000 0.977 155 G CA 0.855 45.988 45.100 0.055 0.000 0.641 155 G HN 0.646 nan 8.290 nan 0.000 0.533 156 Q N -0.315 119.579 119.800 0.156 0.000 2.351 156 Q HA 0.638 4.979 4.340 0.000 0.000 0.273 156 Q C -0.789 175.231 176.000 0.032 0.000 1.077 156 Q CA -0.961 54.897 55.803 0.092 0.000 0.843 156 Q CB 1.056 29.785 28.738 -0.016 0.000 1.367 156 Q HN 0.432 nan 8.270 nan 0.000 0.449 157 H N 1.381 120.138 119.070 -0.522 0.000 2.489 157 H HA 0.437 4.993 4.556 0.000 0.000 0.322 157 H C -1.230 173.645 175.328 -0.755 0.000 1.091 157 H CA 0.052 55.729 56.048 -0.618 0.000 1.291 157 H CB 0.437 29.489 29.762 -1.183 0.000 1.436 157 H HN 0.358 nan 8.280 nan 0.000 0.480 158 F N 2.064 122.002 119.950 -0.020 0.000 2.577 158 F HA 0.425 4.953 4.527 0.000 0.000 0.318 158 F C 0.231 176.209 175.800 0.297 0.000 1.065 158 F CA -1.239 56.868 58.000 0.179 0.000 0.929 158 F CB 1.332 40.517 39.000 0.307 0.000 1.237 158 F HN 0.376 nan 8.300 nan 0.000 0.468 159 I N 0.629 121.483 120.570 0.474 0.000 2.607 159 I HA 0.670 4.840 4.170 0.000 0.000 0.305 159 I C -1.247 174.993 176.117 0.207 0.000 0.995 159 I CA -1.159 60.346 61.300 0.341 0.000 1.148 159 I CB 1.842 39.974 38.000 0.220 0.000 1.323 159 I HN 0.427 nan 8.210 nan 0.000 0.461 160 L N 4.111 125.329 121.223 -0.009 0.000 2.276 160 L HA 0.458 4.798 4.340 0.000 0.000 0.286 160 L C -0.291 176.350 176.870 -0.380 0.000 1.061 160 L CA 0.430 55.008 54.840 -0.437 0.000 0.807 160 L CB 0.513 42.283 42.059 -0.482 0.000 1.177 160 L HN 0.584 nan 8.230 nan 0.000 0.429 161 E N 4.211 124.034 120.200 -0.629 0.000 2.195 161 E HA 0.372 4.722 4.350 0.000 0.000 0.271 161 E C -0.951 175.281 176.600 -0.612 0.000 0.923 161 E CA -0.534 55.504 56.400 -0.603 0.000 0.790 161 E CB 1.766 31.008 29.700 -0.763 0.000 1.155 161 E HN 0.575 nan 8.360 nan 0.000 0.402 162 E N 0.728 120.731 120.200 -0.328 0.000 2.231 162 E HA 0.497 4.847 4.350 0.000 0.000 0.277 162 E C -0.345 176.192 176.600 -0.106 0.000 0.999 162 E CA -0.736 55.543 56.400 -0.203 0.000 0.827 162 E CB 1.746 31.376 29.700 -0.117 0.000 1.101 162 E HN 0.537 nan 8.360 nan 0.000 0.393 163 A N 3.121 125.929 122.820 -0.021 0.000 2.475 163 A HA 0.158 4.478 4.320 0.000 0.000 0.239 163 A C -0.021 177.587 177.584 0.040 0.000 1.087 163 A CA 0.349 52.426 52.037 0.067 0.000 0.779 163 A CB 0.143 19.189 19.000 0.077 0.000 1.036 163 A HN 0.581 nan 8.150 nan 0.000 0.506 164 I N 1.082 121.688 120.570 0.060 0.000 2.418 164 I HA 0.373 4.543 4.170 0.000 0.000 0.287 164 I C 0.086 176.230 176.117 0.044 0.000 1.008 164 I CA -0.190 61.136 61.300 0.044 0.000 1.104 164 I CB 1.548 39.578 38.000 0.051 0.000 1.264 164 I HN 0.675 nan 8.210 nan 0.000 0.438 165 R N 3.776 124.297 120.500 0.035 0.000 2.750 165 R HA 0.727 5.067 4.340 0.000 0.000 0.281 165 R C -0.333 175.986 176.300 0.032 0.000 0.972 165 R CA -0.865 55.254 56.100 0.032 0.000 0.912 165 R CB 2.557 32.874 30.300 0.029 0.000 1.187 165 R HN 0.743 nan 8.270 nan 0.000 0.464 166 G N -0.129 108.690 108.800 0.032 0.000 2.511 166 G HA2 0.184 4.144 3.960 0.000 0.000 0.318 166 G HA3 0.184 4.144 3.960 0.000 0.000 0.318 166 G C -0.156 174.761 174.900 0.028 0.000 1.210 166 G CA -0.462 44.665 45.100 0.045 0.000 0.969 166 G HN 0.505 nan 8.290 nan 0.000 0.484 167 D N -0.604 119.839 120.400 0.071 0.000 2.137 167 D HA 0.053 4.693 4.640 0.000 0.000 0.202 167 D C -0.159 176.023 176.300 -0.197 0.000 0.970 167 D CA 1.334 55.345 54.000 0.019 0.000 0.837 167 D CB 0.236 41.172 40.800 0.227 0.000 0.981 167 D HN 0.181 nan 8.370 nan 0.000 0.475 168 F N -0.458 119.507 119.950 0.025 0.000 2.599 168 F HA 0.562 5.089 4.527 0.001 0.000 0.311 168 F C -0.398 175.407 175.800 0.007 0.000 1.076 168 F CA -1.220 56.791 58.000 0.018 0.000 0.937 168 F CB 2.036 41.039 39.000 0.006 0.000 1.282 168 F HN -0.297 nan 8.300 nan 0.000 0.460 169 A N 2.748 125.670 122.820 0.169 0.000 2.359 169 A HA 0.805 5.125 4.320 0.000 0.000 0.303 169 A C -1.613 176.031 177.584 0.100 0.000 1.066 169 A CA -0.576 51.519 52.037 0.097 0.000 0.730 169 A CB 0.932 19.953 19.000 0.036 0.000 1.211 169 A HN 0.736 nan 8.150 nan 0.000 0.439 170 L N 3.432 124.704 121.223 0.081 0.000 2.277 170 L HA 0.508 4.848 4.340 0.000 0.000 0.284 170 L C -0.814 176.099 176.870 0.071 0.000 1.028 170 L CA -0.678 54.200 54.840 0.065 0.000 0.835 170 L CB 1.223 43.304 42.059 0.036 0.000 1.215 170 L HN 0.430 nan 8.230 nan 0.000 0.425 171 V N 3.026 122.993 119.914 0.088 0.000 2.555 171 V HA 0.419 4.540 4.120 0.000 0.000 0.302 171 V C -0.144 176.045 176.094 0.158 0.000 1.038 171 V CA -0.814 61.563 62.300 0.129 0.000 0.887 171 V CB 2.353 34.264 31.823 0.148 0.000 0.991 171 V HN 0.528 nan 8.190 nan 0.000 0.434 172 K N 3.629 124.146 120.400 0.195 0.000 2.235 172 K HA 0.831 5.152 4.320 0.000 0.000 0.266 172 K C -0.544 176.234 176.600 0.296 0.000 0.980 172 K CA -0.021 56.387 56.287 0.201 0.000 0.849 172 K CB 1.290 33.888 32.500 0.163 0.000 1.098 172 K HN 0.880 nan 8.250 nan 0.000 0.445 173 A N 3.352 126.291 122.820 0.199 0.000 2.437 173 A HA 0.558 4.878 4.320 0.000 0.000 0.292 173 A C -0.515 177.148 177.584 0.131 0.000 1.173 173 A CA -0.768 51.330 52.037 0.103 0.000 0.785 173 A CB 0.281 19.172 19.000 -0.183 0.000 1.351 173 A HN 0.895 nan 8.150 nan 0.000 0.431 174 W N 0.671 121.893 121.300 -0.129 0.000 2.619 174 W HA 0.322 4.982 4.660 0.000 0.000 0.309 174 W C 0.110 176.602 176.519 -0.045 0.000 1.126 174 W CA 1.059 58.356 57.345 -0.080 0.000 1.472 174 W CB -0.081 29.350 29.460 -0.048 0.000 1.164 174 W HN 0.563 nan 8.180 nan 0.000 0.503 175 K N -0.325 120.022 120.400 -0.089 0.000 2.400 175 K HA 0.687 5.007 4.320 0.000 0.000 0.246 175 K C -1.307 175.313 176.600 0.034 0.000 0.995 175 K CA -0.815 55.391 56.287 -0.135 0.000 0.840 175 K CB 2.167 34.494 32.500 -0.289 0.000 1.293 175 K HN -0.132 nan 8.250 nan 0.000 0.445 176 A N 1.452 124.347 122.820 0.125 0.000 2.517 176 A HA 0.426 4.747 4.320 0.000 0.000 0.297 176 A C -1.582 176.096 177.584 0.158 0.000 1.050 176 A CA -0.915 51.237 52.037 0.192 0.000 0.694 176 A CB 1.003 20.073 19.000 0.117 0.000 1.277 176 A HN 0.811 nan 8.150 nan 0.000 0.400 177 D N 0.782 121.296 120.400 0.190 0.000 2.423 177 D HA 0.269 4.910 4.640 0.000 0.000 0.255 177 D C 0.645 177.017 176.300 0.119 0.000 1.174 177 D CA -0.379 53.607 54.000 -0.024 0.000 1.008 177 D CB 0.394 41.130 40.800 -0.106 0.000 1.101 177 D HN 0.480 nan 8.370 nan 0.000 0.516 178 Q N -0.767 119.052 119.800 0.032 0.000 2.515 178 Q HA 0.051 4.391 4.340 0.000 0.000 0.212 178 Q C 1.170 177.256 176.000 0.143 0.000 0.970 178 Q CA 0.793 56.604 55.803 0.015 0.000 0.941 178 Q CB -0.020 28.633 28.738 -0.142 0.000 0.998 178 Q HN 0.603 nan 8.270 nan 0.000 0.518 179 A N -0.310 122.627 122.820 0.195 0.000 2.169 179 A HA 0.386 4.706 4.320 0.000 0.000 0.210 179 A C 1.506 179.255 177.584 0.275 0.000 1.168 179 A CA 0.807 52.969 52.037 0.208 0.000 0.813 179 A CB 0.389 19.456 19.000 0.111 0.000 0.861 179 A HN 0.398 nan 8.150 nan 0.000 0.481 180 G N -0.801 108.168 108.800 0.282 0.000 2.205 180 G HA2 -0.166 3.794 3.960 0.000 0.000 0.180 180 G HA3 -0.166 3.794 3.960 0.000 0.000 0.180 180 G C -0.285 174.678 174.900 0.106 0.000 1.004 180 G CA -0.141 45.041 45.100 0.138 0.000 0.670 180 G HN 0.348 nan 8.290 nan 0.000 0.496 181 N N 0.475 119.267 118.700 0.154 0.000 2.513 181 N HA 0.468 5.208 4.740 0.000 0.000 0.268 181 N C -0.062 175.499 175.510 0.086 0.000 1.180 181 N CA 0.301 53.427 53.050 0.128 0.000 0.948 181 N CB 2.070 40.677 38.487 0.200 0.000 1.083 181 N HN 0.157 nan 8.380 nan 0.000 0.455 182 V N 0.739 120.593 119.914 -0.099 0.000 2.864 182 V HA 0.606 4.726 4.120 0.000 0.000 0.314 182 V C 0.199 175.956 176.094 -0.562 0.000 1.073 182 V CA -0.621 61.515 62.300 -0.274 0.000 0.956 182 V CB 2.190 33.858 31.823 -0.258 0.000 1.023 182 V HN 0.899 nan 8.190 nan 0.000 0.435 183 T N 0.018 114.161 114.554 -0.685 0.000 2.896 183 T HA 0.811 5.161 4.350 0.000 0.000 0.297 183 T C -1.192 173.263 174.700 -0.407 0.000 1.108 183 T CA -0.558 61.166 62.100 -0.626 0.000 1.004 183 T CB 1.808 70.188 68.868 -0.815 0.000 1.159 183 T HN 0.177 nan 8.240 nan 0.000 0.499 184 F N 0.012 120.291 119.950 0.549 0.000 2.546 184 F HA 0.683 5.210 4.527 0.000 0.000 0.320 184 F C 0.501 176.445 175.800 0.241 0.000 1.076 184 F CA -1.218 56.965 58.000 0.304 0.000 0.928 184 F CB 2.164 41.216 39.000 0.086 0.000 1.189 184 F HN 0.560 nan 8.300 nan 0.000 0.465 185 R N 3.105 123.686 120.500 0.134 0.000 2.229 185 R HA 0.411 4.751 4.340 0.000 0.000 0.332 185 R C -0.134 175.878 176.300 -0.481 0.000 0.989 185 R CA -0.174 55.698 56.100 -0.380 0.000 0.842 185 R CB 0.384 30.027 30.300 -1.094 0.000 1.119 185 R HN 0.824 nan 8.270 nan 0.000 0.456 186 K N 0.727 120.688 120.400 -0.731 0.000 1.882 186 K HA -0.288 4.033 4.320 0.000 0.000 0.199 186 K C 0.684 176.668 176.600 -1.028 0.000 1.562 186 K CA 1.678 57.096 56.287 -1.449 0.000 0.515 186 K CB -1.478 30.471 32.500 -0.917 0.000 0.682 186 K HN 0.736 nan 8.250 nan 0.000 0.843 187 S N 0.512 115.819 115.700 -0.654 0.000 2.603 187 S HA 0.189 4.659 4.470 0.000 0.000 0.220 187 S C 1.490 175.947 174.600 -0.237 0.000 0.967 187 S CA 0.648 58.640 58.200 -0.347 0.000 0.920 187 S CB 0.290 63.366 63.200 -0.206 0.000 0.773 187 S HN 0.606 nan 8.310 nan 0.000 0.529 188 A N 1.481 124.169 122.820 -0.220 0.000 2.235 188 A HA 0.183 4.503 4.320 0.000 0.000 0.208 188 A C 2.147 179.677 177.584 -0.089 0.000 1.172 188 A CA 0.485 52.467 52.037 -0.092 0.000 0.786 188 A CB -0.538 18.418 19.000 -0.074 0.000 0.804 188 A HN 0.585 nan 8.150 nan 0.000 0.479 189 R N 0.654 121.024 120.500 -0.218 0.000 2.055 189 R HA -0.167 4.173 4.340 0.000 0.000 0.226 189 R C 1.728 177.775 176.300 -0.421 0.000 1.135 189 R CA 1.518 57.338 56.100 -0.467 0.000 0.959 189 R CB -0.436 29.584 30.300 -0.467 0.000 0.854 189 R HN 0.702 nan 8.270 nan 0.000 0.431 190 N N -0.225 118.306 118.700 -0.282 0.000 1.020 190 N HA -0.349 4.391 4.740 0.000 0.000 0.149 190 N C 0.900 176.277 175.510 -0.222 0.000 0.363 190 N CA 2.690 55.630 53.050 -0.184 0.000 0.952 190 N CB -1.450 37.096 38.487 0.097 0.000 1.603 190 N HN 0.201 nan 8.380 nan 0.000 0.475 191 F N 0.126 120.031 119.950 -0.075 0.000 2.615 191 F HA 0.218 4.745 4.527 0.000 0.000 0.297 191 F C 2.190 177.913 175.800 -0.129 0.000 1.124 191 F CA 0.206 58.167 58.000 -0.065 0.000 1.451 191 F CB -0.394 38.613 39.000 0.012 0.000 1.103 191 F HN 0.255 nan 8.300 nan 0.000 0.569 192 N N 0.760 119.431 118.700 -0.049 0.000 2.061 192 N HA -0.227 4.513 4.740 0.000 0.000 0.193 192 N C 2.131 177.525 175.510 -0.194 0.000 1.030 192 N CA 1.465 54.455 53.050 -0.100 0.000 0.856 192 N CB -0.644 37.775 38.487 -0.113 0.000 1.023 192 N HN 0.342 nan 8.380 nan 0.000 0.424 193 L N 2.024 122.924 121.223 -0.538 0.000 1.976 193 L HA -0.068 4.272 4.340 0.000 0.000 0.209 193 L C -0.719 176.039 176.870 -0.186 0.000 1.071 193 L CA 1.525 56.156 54.840 -0.349 0.000 0.746 193 L CB -1.312 40.470 42.059 -0.462 0.000 0.890 193 L HN 0.107 nan 8.230 nan 0.000 0.432 194 P HA -0.222 nan 4.420 nan 0.000 0.216 194 P C 1.770 179.012 177.300 -0.097 0.000 1.150 194 P CA 1.885 64.895 63.100 -0.150 0.000 0.837 194 P CB -0.149 31.462 31.700 -0.148 0.000 0.786 195 M N -0.995 118.586 119.600 -0.032 0.000 2.279 195 M HA -0.125 4.355 4.480 0.000 0.000 0.264 195 M C 2.327 178.607 176.300 -0.035 0.000 1.062 195 M CA 1.330 56.632 55.300 0.004 0.000 1.099 195 M CB -0.994 31.642 32.600 0.060 0.000 1.394 195 M HN -0.004 nan 8.290 nan 0.000 0.426 196 C N 0.895 120.161 119.300 -0.057 0.000 2.411 196 C HA -0.147 4.313 4.460 0.000 0.000 0.279 196 C C 2.382 177.274 174.990 -0.163 0.000 1.288 196 C CA 1.069 60.039 59.018 -0.079 0.000 1.764 196 C CB -0.991 26.725 27.740 -0.040 0.000 1.974 196 C HN 0.504 nan 8.230 nan 0.000 0.498 197 K N 0.616 120.856 120.400 -0.267 0.000 2.379 197 K HA 0.197 4.517 4.320 0.000 0.000 0.194 197 K C 1.346 177.917 176.600 -0.048 0.000 1.031 197 K CA 0.756 56.881 56.287 -0.270 0.000 1.037 197 K CB 0.073 32.238 32.500 -0.558 0.000 0.824 197 K HN 0.352 nan 8.250 nan 0.000 0.516 198 A N 1.215 124.010 122.820 -0.041 0.000 2.507 198 A HA 0.523 4.844 4.320 0.000 0.000 0.270 198 A C 0.135 177.727 177.584 0.013 0.000 1.318 198 A CA -0.293 51.746 52.037 0.004 0.000 0.924 198 A CB 0.162 19.169 19.000 0.011 0.000 1.061 198 A HN 0.190 nan 8.150 nan 0.000 0.516 199 A N -0.858 121.962 122.820 0.000 0.000 2.454 199 A HA 0.652 4.972 4.320 0.000 0.000 0.302 199 A C 0.627 178.208 177.584 -0.005 0.000 1.079 199 A CA -0.409 51.620 52.037 -0.013 0.000 0.731 199 A CB 0.833 19.817 19.000 -0.027 0.000 1.299 199 A HN 0.047 nan 8.150 nan 0.000 0.413 200 E N 0.557 120.729 120.200 -0.047 0.000 2.077 200 E HA -0.057 4.293 4.350 0.000 0.000 0.193 200 E C 0.036 176.644 176.600 0.015 0.000 0.989 200 E CA 1.625 58.004 56.400 -0.034 0.000 0.800 200 E CB -0.075 29.555 29.700 -0.117 0.000 0.746 200 E HN 0.616 nan 8.360 nan 0.000 0.452 201 T N 1.428 115.852 114.554 -0.216 0.000 2.847 201 T HA 0.310 4.660 4.350 0.000 0.000 0.291 201 T C -0.381 174.236 174.700 -0.139 0.000 0.998 201 T CA -0.635 61.387 62.100 -0.130 0.000 0.967 201 T CB 1.702 70.165 68.868 -0.676 0.000 0.954 201 T HN 0.038 nan 8.240 nan 0.000 0.441 202 T N 0.370 114.842 114.554 -0.136 0.000 2.794 202 T HA 0.711 5.061 4.350 0.000 0.000 0.280 202 T C -0.271 174.412 174.700 -0.028 0.000 0.987 202 T CA -0.740 61.280 62.100 -0.133 0.000 0.993 202 T CB 0.993 69.698 68.868 -0.271 0.000 0.939 202 T HN 0.276 nan 8.240 nan 0.000 0.449 203 V N 3.657 123.597 119.914 0.042 0.000 2.417 203 V HA 0.591 4.711 4.120 0.000 0.000 0.291 203 V C -0.225 175.887 176.094 0.030 0.000 1.024 203 V CA -0.808 61.511 62.300 0.033 0.000 0.861 203 V CB 1.530 33.382 31.823 0.048 0.000 0.985 203 V HN 0.897 nan 8.190 nan 0.000 0.436 204 V N 4.686 124.611 119.914 0.018 0.000 2.604 204 V HA 0.523 4.643 4.120 0.000 0.000 0.305 204 V C -0.190 175.940 176.094 0.060 0.000 1.043 204 V CA -0.676 61.652 62.300 0.046 0.000 0.888 204 V CB 1.979 33.820 31.823 0.029 0.000 0.995 204 V HN 1.057 nan 8.190 nan 0.000 0.429 205 E N 4.200 124.463 120.200 0.106 0.000 2.158 205 E HA 0.714 5.064 4.350 0.000 0.000 0.271 205 E C -0.887 175.827 176.600 0.189 0.000 0.911 205 E CA -0.707 55.786 56.400 0.155 0.000 0.767 205 E CB 2.187 32.001 29.700 0.190 0.000 1.120 205 E HN 0.515 nan 8.360 nan 0.000 0.405 206 V N 0.417 120.443 119.914 0.188 0.000 3.019 206 V HA 0.382 4.502 4.120 0.000 0.000 0.317 206 V C 0.582 176.812 176.094 0.228 0.000 1.094 206 V CA -0.709 61.686 62.300 0.158 0.000 1.000 206 V CB 1.675 33.557 31.823 0.098 0.000 1.060 206 V HN 0.848 nan 8.190 nan 0.000 0.443 207 E N 0.394 120.684 120.200 0.151 0.000 2.250 207 E HA 0.174 4.524 4.350 0.000 0.000 0.192 207 E C -0.124 176.588 176.600 0.185 0.000 0.986 207 E CA 0.620 57.136 56.400 0.194 0.000 0.849 207 E CB 0.406 30.135 29.700 0.048 0.000 0.797 207 E HN 0.846 nan 8.360 nan 0.000 0.482 208 E N 0.416 120.682 120.200 0.109 0.000 2.356 208 E HA 0.463 4.814 4.350 0.000 0.000 0.275 208 E C -1.046 175.569 176.600 0.025 0.000 0.904 208 E CA -0.428 55.999 56.400 0.045 0.000 0.757 208 E CB 2.683 32.358 29.700 -0.040 0.000 1.232 208 E HN -0.066 nan 8.360 nan 0.000 0.442 209 I N 2.697 123.284 120.570 0.027 0.000 2.418 209 I HA 0.314 4.484 4.170 0.000 0.000 0.287 209 I C -0.290 175.800 176.117 -0.044 0.000 1.008 209 I CA -1.007 60.314 61.300 0.035 0.000 1.104 209 I CB 1.482 39.542 38.000 0.101 0.000 1.264 209 I HN 0.285 nan 8.210 nan 0.000 0.438 210 V N 2.027 121.872 119.914 -0.115 0.000 2.994 210 V HA 0.560 4.681 4.120 0.000 0.000 0.318 210 V C -0.016 175.953 176.094 -0.208 0.000 1.085 210 V CA -0.900 61.276 62.300 -0.206 0.000 0.998 210 V CB 1.719 33.320 31.823 -0.369 0.000 1.063 210 V HN 0.501 nan 8.190 nan 0.000 0.447 211 D N 1.190 121.467 120.400 -0.204 0.000 2.363 211 D HA 0.233 4.873 4.640 0.000 0.000 0.240 211 D C 0.051 176.224 176.300 -0.212 0.000 1.236 211 D CA 0.052 53.948 54.000 -0.172 0.000 0.927 211 D CB 0.776 41.490 40.800 -0.142 0.000 1.150 211 D HN 0.365 nan 8.370 nan 0.000 0.458 212 I N 0.154 120.636 120.570 -0.146 0.000 2.529 212 I HA 0.161 4.331 4.170 0.000 0.000 0.284 212 I C 1.703 177.739 176.117 -0.134 0.000 1.082 212 I CA 0.370 61.596 61.300 -0.124 0.000 1.406 212 I CB 0.120 38.082 38.000 -0.063 0.000 1.405 212 I HN 0.773 nan 8.210 nan 0.000 0.548 213 G N 4.105 112.824 108.800 -0.135 0.000 2.195 213 G HA2 -0.271 3.689 3.960 0.000 0.000 0.224 213 G HA3 -0.271 3.689 3.960 0.000 0.000 0.224 213 G C 1.011 175.814 174.900 -0.162 0.000 0.990 213 G CA 0.380 45.416 45.100 -0.107 0.000 0.639 213 G HN 0.514 nan 8.290 nan 0.000 0.514 214 S N -0.127 115.377 115.700 -0.327 0.000 2.447 214 S HA 0.294 4.764 4.470 0.000 0.000 0.233 214 S C 0.596 174.986 174.600 -0.350 0.000 1.006 214 S CA 0.756 58.702 58.200 -0.423 0.000 0.957 214 S CB -0.089 62.707 63.200 -0.673 0.000 0.773 214 S HN 0.409 nan 8.310 nan 0.000 0.507 215 F N 1.024 120.923 119.950 -0.085 0.000 2.458 215 F HA 0.680 5.207 4.527 0.000 0.000 0.330 215 F C 0.422 176.188 175.800 -0.056 0.000 1.082 215 F CA -2.344 55.603 58.000 -0.089 0.000 0.995 215 F CB 0.536 39.469 39.000 -0.113 0.000 1.170 215 F HN -0.123 nan 8.300 nan 0.000 0.478 216 A N 4.170 127.089 122.820 0.165 0.000 2.409 216 A HA 0.378 4.698 4.320 0.000 0.000 0.262 216 A C -1.438 176.196 177.584 0.084 0.000 1.113 216 A CA -1.175 50.914 52.037 0.087 0.000 0.790 216 A CB -0.120 18.918 19.000 0.063 0.000 1.046 216 A HN 0.592 nan 8.150 nan 0.000 0.496 217 P HA -0.213 nan 4.420 nan 0.000 0.216 217 P C 0.511 177.836 177.300 0.041 0.000 1.150 217 P CA 1.553 64.687 63.100 0.056 0.000 0.843 217 P CB 0.208 31.933 31.700 0.042 0.000 0.787 218 E N -0.412 119.810 120.200 0.038 0.000 2.478 218 E HA -0.059 4.291 4.350 0.000 0.000 0.198 218 E C 0.675 177.298 176.600 0.038 0.000 1.046 218 E CA 0.635 57.056 56.400 0.036 0.000 0.870 218 E CB -0.441 29.279 29.700 0.034 0.000 0.818 218 E HN 0.324 nan 8.360 nan 0.000 0.527 219 D N 0.163 120.574 120.400 0.019 0.000 2.643 219 D HA 0.157 4.797 4.640 0.000 0.000 0.244 219 D C -0.329 175.858 176.300 -0.189 0.000 1.257 219 D CA -0.038 53.952 54.000 -0.015 0.000 0.831 219 D CB 0.366 41.164 40.800 -0.003 0.000 1.043 219 D HN 0.165 nan 8.370 nan 0.000 0.488 220 I N 0.860 121.348 120.570 -0.137 0.000 2.297 220 I HA 0.115 4.285 4.170 0.000 0.000 0.291 220 I C 1.500 177.575 176.117 -0.069 0.000 1.033 220 I CA -0.431 60.710 61.300 -0.265 0.000 1.253 220 I CB 0.959 38.889 38.000 -0.117 0.000 1.396 220 I HN -0.004 nan 8.210 nan 0.000 0.476 221 H N 5.894 124.905 119.070 -0.098 0.000 2.293 221 H HA 0.048 4.604 4.556 0.000 0.000 0.300 221 H C 0.249 175.649 175.328 0.120 0.000 1.082 221 H CA 0.704 56.793 56.048 0.067 0.000 1.308 221 H CB 0.399 30.287 29.762 0.209 0.000 1.375 221 H HN 0.328 nan 8.280 nan 0.000 0.495 222 I N 1.780 122.456 120.570 0.178 0.000 2.420 222 I HA 0.225 4.395 4.170 0.000 0.000 0.282 222 I C -2.456 173.758 176.117 0.162 0.000 1.019 222 I CA -2.642 58.776 61.300 0.198 0.000 1.130 222 I CB 1.576 39.698 38.000 0.203 0.000 1.262 222 I HN -0.147 nan 8.210 nan 0.000 0.454 223 P HA 0.107 nan 4.420 nan 0.000 0.269 223 P C 0.748 178.130 177.300 0.137 0.000 1.209 223 P CA -0.284 62.904 63.100 0.147 0.000 0.776 223 P CB 0.605 32.374 31.700 0.114 0.000 0.876 224 K N 3.139 123.586 120.400 0.079 0.000 2.160 224 K HA -0.189 4.131 4.320 0.000 0.000 0.206 224 K C 1.695 178.323 176.600 0.046 0.000 1.047 224 K CA 1.574 57.903 56.287 0.071 0.000 0.930 224 K CB -0.948 31.597 32.500 0.075 0.000 0.720 224 K HN 0.340 nan 8.250 nan 0.000 0.450 225 I N 0.498 121.041 120.570 -0.045 0.000 2.502 225 I HA -0.276 3.894 4.170 0.000 0.000 0.258 225 I C 1.144 177.204 176.117 -0.095 0.000 1.172 225 I CA 1.311 62.535 61.300 -0.126 0.000 1.430 225 I CB 0.058 37.882 38.000 -0.293 0.000 1.086 225 I HN 0.164 nan 8.210 nan 0.000 0.440 226 Y N -0.313 120.024 120.300 0.061 0.000 2.503 226 Y HA 0.172 4.722 4.550 0.000 0.000 0.278 226 Y C 0.964 176.787 175.900 -0.130 0.000 1.111 226 Y CA -0.039 58.056 58.100 -0.008 0.000 1.270 226 Y CB -0.091 38.362 38.460 -0.011 0.000 1.063 226 Y HN -0.208 nan 8.280 nan 0.000 0.548 227 V N 1.672 121.655 119.914 0.115 0.000 2.356 227 V HA 0.041 4.161 4.120 0.000 0.000 0.258 227 V C 0.510 176.666 176.094 0.104 0.000 1.065 227 V CA -0.047 62.268 62.300 0.025 0.000 0.935 227 V CB -0.007 31.822 31.823 0.011 0.000 1.061 227 V HN 0.487 nan 8.190 nan 0.000 0.484 228 H N 3.552 122.632 119.070 0.017 0.000 2.355 228 H HA 0.222 4.779 4.556 0.000 0.000 0.303 228 H C 0.701 176.041 175.328 0.020 0.000 1.061 228 H CA 0.383 56.439 56.048 0.013 0.000 1.368 228 H CB 0.451 30.220 29.762 0.011 0.000 1.412 228 H HN 0.432 nan 8.280 nan 0.000 0.523 229 R N 0.793 121.371 120.500 0.131 0.000 2.621 229 R HA 0.480 4.820 4.340 0.000 0.000 0.292 229 R C -1.798 174.493 176.300 -0.016 0.000 0.969 229 R CA -0.907 55.253 56.100 0.101 0.000 0.887 229 R CB 2.762 33.059 30.300 -0.007 0.000 1.180 229 R HN -0.029 nan 8.270 nan 0.000 0.450 230 L N 2.080 123.282 121.223 -0.035 0.000 2.401 230 L HA 0.664 5.004 4.340 0.000 0.000 0.266 230 L C -1.492 175.423 176.870 0.075 0.000 0.991 230 L CA -0.836 53.953 54.840 -0.085 0.000 0.818 230 L CB 2.329 44.167 42.059 -0.368 0.000 1.321 230 L HN 0.453 nan 8.230 nan 0.000 0.413 231 V N 4.286 124.256 119.914 0.093 0.000 2.888 231 V HA 0.508 4.628 4.120 0.000 0.000 0.309 231 V C -1.156 175.028 176.094 0.150 0.000 1.114 231 V CA -0.794 61.594 62.300 0.147 0.000 0.940 231 V CB 2.201 34.086 31.823 0.102 0.000 1.021 231 V HN 0.861 nan 8.190 nan 0.000 0.426 232 K N 4.543 125.042 120.400 0.164 0.000 2.262 232 K HA 0.563 4.883 4.320 0.000 0.000 0.282 232 K C 0.303 176.995 176.600 0.153 0.000 1.066 232 K CA 0.007 56.400 56.287 0.176 0.000 0.901 232 K CB 0.893 33.489 32.500 0.159 0.000 1.089 232 K HN 1.018 nan 8.250 nan 0.000 0.476 233 G N 3.961 112.891 108.800 0.217 0.000 2.305 233 G HA2 -0.090 3.870 3.960 0.000 0.000 0.243 233 G HA3 -0.090 3.870 3.960 0.000 0.000 0.243 233 G C 0.819 175.656 174.900 -0.106 0.000 1.288 233 G CA -0.369 44.722 45.100 -0.015 0.000 0.901 233 G HN 0.863 nan 8.290 nan 0.000 0.516 234 E N 2.155 122.263 120.200 -0.153 0.000 2.028 234 E HA -0.082 4.268 4.350 0.000 0.000 0.191 234 E C 0.976 177.495 176.600 -0.135 0.000 0.988 234 E CA 1.065 57.411 56.400 -0.091 0.000 0.799 234 E CB 0.078 29.741 29.700 -0.061 0.000 0.755 234 E HN 0.582 nan 8.360 nan 0.000 0.447 235 K N -0.740 119.495 120.400 -0.274 0.000 2.426 235 K HA 0.367 4.688 4.320 0.000 0.000 0.251 235 K C -1.853 174.501 176.600 -0.411 0.000 0.941 235 K CA -0.632 55.532 56.287 -0.205 0.000 0.808 235 K CB 1.614 34.062 32.500 -0.087 0.000 1.265 235 K HN -0.155 nan 8.250 nan 0.000 0.432 236 Y N 1.876 122.231 120.300 0.092 0.000 2.322 236 Y HA 0.204 4.754 4.550 0.000 0.000 0.324 236 Y C 0.364 176.321 175.900 0.095 0.000 1.027 236 Y CA -0.651 57.516 58.100 0.113 0.000 1.179 236 Y CB 2.182 40.707 38.460 0.108 0.000 1.136 236 Y HN 0.752 nan 8.280 nan 0.000 0.449 237 E N 1.866 122.222 120.200 0.260 0.000 2.250 237 E HA 0.005 4.355 4.350 0.000 0.000 0.192 237 E C -0.115 176.511 176.600 0.043 0.000 0.986 237 E CA 0.160 56.624 56.400 0.108 0.000 0.849 237 E CB 0.183 29.903 29.700 0.033 0.000 0.797 237 E HN 0.473 nan 8.360 nan 0.000 0.482 238 K N 2.058 122.550 120.400 0.153 0.000 4.075 238 K HA -0.221 4.099 4.320 0.000 0.000 0.278 238 K C -0.709 175.830 176.600 -0.100 0.000 0.862 238 K CA 0.374 56.713 56.287 0.086 0.000 0.762 238 K CB -1.051 31.490 32.500 0.068 0.000 1.660 238 K HN 0.200 nan 8.250 nan 0.000 0.437 239 R N 1.016 121.284 120.500 -0.386 0.000 2.543 239 R HA 0.297 4.638 4.340 0.000 0.000 0.277 239 R C 0.717 176.907 176.300 -0.183 0.000 1.074 239 R CA -0.211 55.630 56.100 -0.432 0.000 1.076 239 R CB 0.547 30.310 30.300 -0.895 0.000 0.993 239 R HN 0.280 nan 8.270 nan 0.000 0.459 240 I N 1.766 122.264 120.570 -0.119 0.000 2.336 240 I HA 0.055 4.225 4.170 0.000 0.000 0.292 240 I C 1.376 177.473 176.117 -0.033 0.000 0.991 240 I CA -0.060 61.214 61.300 -0.044 0.000 1.227 240 I CB 1.688 39.670 38.000 -0.030 0.000 1.366 240 I HN 0.741 nan 8.210 nan 0.000 0.466 241 E N 5.237 125.439 120.200 0.004 0.000 2.122 241 E HA 0.074 4.424 4.350 0.000 0.000 0.190 241 E C 0.335 176.944 176.600 0.015 0.000 0.977 241 E CA 0.720 57.129 56.400 0.015 0.000 0.820 241 E CB 0.521 30.245 29.700 0.040 0.000 0.770 241 E HN 0.466 nan 8.360 nan 0.000 0.462 242 R N 0.978 121.492 120.500 0.023 0.000 2.472 242 R HA 0.225 4.565 4.340 0.000 0.000 0.294 242 R C -1.440 174.864 176.300 0.007 0.000 1.243 242 R CA -0.554 55.556 56.100 0.017 0.000 1.023 242 R CB 1.270 31.591 30.300 0.035 0.000 1.157 242 R HN 0.006 nan 8.270 nan 0.000 0.530 243 L N 2.539 123.755 121.223 -0.012 0.000 2.433 243 L HA 0.206 4.546 4.340 0.000 0.000 0.284 243 L C -0.643 176.196 176.870 -0.053 0.000 1.120 243 L CA 0.683 55.511 54.840 -0.020 0.000 0.879 243 L CB 0.760 42.805 42.059 -0.023 0.000 1.232 243 L HN 0.404 nan 8.230 nan 0.000 0.454 244 S N 4.195 119.860 115.700 -0.058 0.000 2.532 244 S HA 0.600 5.070 4.470 0.000 0.000 0.318 244 S C -0.475 174.061 174.600 -0.106 0.000 1.083 244 S CA -0.590 57.495 58.200 -0.191 0.000 1.131 244 S CB 1.083 64.084 63.200 -0.332 0.000 0.973 244 S HN 0.325 nan 8.310 nan 0.000 0.468 245 V N 3.814 123.666 119.914 -0.103 0.000 2.555 245 V HA 0.523 4.643 4.120 0.000 0.000 0.302 245 V C 0.351 176.436 176.094 -0.015 0.000 1.038 245 V CA -1.065 61.224 62.300 -0.017 0.000 0.887 245 V CB 1.766 33.582 31.823 -0.012 0.000 0.991 245 V HN 0.770 nan 8.190 nan 0.000 0.434 246 R N 2.756 123.289 120.500 0.056 0.000 2.459 246 R HA 0.457 4.797 4.340 0.000 0.000 0.281 246 R C -0.401 175.915 176.300 0.026 0.000 1.050 246 R CA -0.604 55.532 56.100 0.061 0.000 1.055 246 R CB 0.904 31.266 30.300 0.104 0.000 1.045 246 R HN 0.627 nan 8.270 nan 0.000 0.495 260 D N 0.804 121.198 120.400 -0.010 0.000 2.360 260 D HA 0.102 4.742 4.640 0.000 0.000 0.242 260 D C 1.511 177.782 176.300 -0.048 0.000 1.184 260 D CA 0.213 54.199 54.000 -0.024 0.000 0.930 260 D CB 1.562 42.347 40.800 -0.025 0.000 1.161 260 D HN 0.161 nan 8.370 nan 0.000 0.447 261 N N 1.540 120.206 118.700 -0.057 0.000 2.027 261 N HA -0.260 4.480 4.740 0.000 0.000 0.200 261 N C 1.678 177.093 175.510 -0.158 0.000 1.042 261 N CA 2.793 55.786 53.050 -0.095 0.000 0.871 261 N CB -0.422 38.012 38.487 -0.089 0.000 1.063 261 N HN 0.260 nan 8.380 nan 0.000 0.438 262 V N 0.251 120.077 119.914 -0.147 0.000 2.233 262 V HA -0.237 3.883 4.120 0.000 0.000 0.247 262 V C 2.648 178.650 176.094 -0.154 0.000 1.050 262 V CA 2.287 64.483 62.300 -0.173 0.000 1.010 262 V CB -0.723 31.032 31.823 -0.114 0.000 0.637 262 V HN 0.376 nan 8.190 nan 0.000 0.444 263 R N -0.498 119.942 120.500 -0.100 0.000 2.127 263 R HA -0.205 4.135 4.340 0.000 0.000 0.238 263 R C 2.405 178.644 176.300 -0.102 0.000 1.134 263 R CA 1.737 57.789 56.100 -0.080 0.000 0.975 263 R CB -0.251 30.024 30.300 -0.042 0.000 0.865 263 R HN 0.695 nan 8.270 nan 0.000 0.447 264 E N 0.092 120.225 120.200 -0.111 0.000 2.106 264 E HA -0.216 4.135 4.350 0.000 0.000 0.192 264 E C 1.840 178.332 176.600 -0.179 0.000 0.984 264 E CA 1.036 57.361 56.400 -0.126 0.000 0.806 264 E CB 0.149 29.797 29.700 -0.086 0.000 0.750 264 E HN 0.235 nan 8.360 nan 0.000 0.458 265 R N -0.008 120.359 120.500 -0.222 0.000 2.090 265 R HA -0.007 4.334 4.340 0.000 0.000 0.228 265 R C 2.388 178.573 176.300 -0.192 0.000 1.110 265 R CA 1.200 57.137 56.100 -0.271 0.000 0.973 265 R CB -0.066 29.899 30.300 -0.558 0.000 0.869 265 R HN 0.273 nan 8.270 nan 0.000 0.440 266 I N 0.190 120.659 120.570 -0.169 0.000 2.353 266 I HA -0.233 3.937 4.170 0.000 0.000 0.248 266 I C 1.997 178.042 176.117 -0.120 0.000 1.119 266 I CA 1.145 62.374 61.300 -0.118 0.000 1.417 266 I CB -0.168 37.779 38.000 -0.088 0.000 1.078 266 I HN 0.128 nan 8.210 nan 0.000 0.421 267 I N 0.863 121.343 120.570 -0.150 0.000 2.226 267 I HA -0.287 3.884 4.170 0.000 0.000 0.245 267 I C 2.374 178.325 176.117 -0.277 0.000 1.100 267 I CA 1.529 62.715 61.300 -0.191 0.000 1.374 267 I CB -0.379 37.475 38.000 -0.243 0.000 1.057 267 I HN 0.157 nan 8.210 nan 0.000 0.413 268 K N 0.096 120.311 120.400 -0.309 0.000 2.283 268 K HA -0.172 4.148 4.320 0.000 0.000 0.202 268 K C 2.173 178.706 176.600 -0.111 0.000 1.048 268 K CA 0.775 56.902 56.287 -0.266 0.000 0.948 268 K CB -0.029 32.355 32.500 -0.195 0.000 0.742 268 K HN 0.072 nan 8.250 nan 0.000 0.458 269 R N 0.942 121.392 120.500 -0.084 0.000 2.128 269 R HA 0.124 4.464 4.340 0.000 0.000 0.211 269 R C 1.836 178.092 176.300 -0.072 0.000 1.067 269 R CA 1.194 57.267 56.100 -0.045 0.000 1.010 269 R CB -0.474 29.811 30.300 -0.025 0.000 0.922 269 R HN 0.075 nan 8.270 nan 0.000 0.457 270 A N 0.645 123.406 122.820 -0.098 0.000 1.933 270 A HA 0.005 4.325 4.320 0.000 0.000 0.218 270 A C 2.264 179.730 177.584 -0.196 0.000 1.175 270 A CA 1.600 53.549 52.037 -0.147 0.000 0.628 270 A CB -0.954 17.972 19.000 -0.123 0.000 0.814 270 A HN 0.423 nan 8.150 nan 0.000 0.444 271 A N -0.420 122.375 122.820 -0.043 0.000 2.131 271 A HA 0.020 4.341 4.320 0.000 0.000 0.220 271 A C 1.855 179.531 177.584 0.153 0.000 1.158 271 A CA 1.262 53.406 52.037 0.178 0.000 0.665 271 A CB -0.523 18.612 19.000 0.225 0.000 0.795 271 A HN 0.494 nan 8.150 nan 0.000 0.460 272 L N -0.728 120.502 121.223 0.012 0.000 2.591 272 L HA 0.038 4.378 4.340 0.000 0.000 0.228 272 L C 1.760 178.608 176.870 -0.037 0.000 1.133 272 L CA 0.110 54.961 54.840 0.019 0.000 0.880 272 L CB -0.172 41.891 42.059 0.007 0.000 1.033 272 L HN 0.268 nan 8.230 nan 0.000 0.450 273 E N 0.212 120.309 120.200 -0.171 0.000 2.299 273 E HA 0.040 4.390 4.350 0.000 0.000 0.193 273 E C 0.357 176.861 176.600 -0.160 0.000 0.998 273 E CA 0.223 56.499 56.400 -0.205 0.000 0.851 273 E CB 0.118 29.626 29.700 -0.319 0.000 0.795 273 E HN 0.189 nan 8.360 nan 0.000 0.492 274 F N 2.134 122.085 119.950 0.002 0.000 2.563 274 F HA 0.045 4.572 4.527 0.000 0.000 0.363 274 F C 1.093 176.881 175.800 -0.019 0.000 1.123 274 F CA 0.400 58.393 58.000 -0.011 0.000 1.307 274 F CB 0.398 39.390 39.000 -0.014 0.000 1.115 274 F HN -0.223 nan 8.300 nan 0.000 0.592 275 E N 0.405 120.712 120.200 0.179 0.000 2.343 275 E HA 0.182 4.532 4.350 0.000 0.000 0.270 275 E C -1.595 175.015 176.600 0.017 0.000 0.895 275 E CA -1.192 55.253 56.400 0.075 0.000 0.767 275 E CB 1.973 31.703 29.700 0.051 0.000 1.248 275 E HN 0.446 nan 8.360 nan 0.000 0.440 276 D N 0.152 120.545 120.400 -0.012 0.000 2.487 276 D HA 0.160 4.800 4.640 0.000 0.000 0.243 276 D C 1.006 177.257 176.300 -0.081 0.000 1.154 276 D CA 2.024 55.987 54.000 -0.061 0.000 0.876 276 D CB 0.276 41.051 40.800 -0.040 0.000 1.161 276 D HN 0.665 nan 8.370 nan 0.000 0.478 277 G N 3.393 112.090 108.800 -0.172 0.000 2.162 277 G HA2 -0.321 3.640 3.960 0.000 0.000 0.260 277 G HA3 -0.321 3.640 3.960 0.000 0.000 0.260 277 G C 0.466 175.249 174.900 -0.195 0.000 0.976 277 G CA 0.416 45.414 45.100 -0.169 0.000 0.655 277 G HN 0.644 nan 8.290 nan 0.000 0.533 278 M N 0.247 119.744 119.600 -0.172 0.000 2.242 278 M HA 0.633 5.114 4.480 0.000 0.000 0.344 278 M C -0.455 175.739 176.300 -0.176 0.000 1.140 278 M CA -0.522 54.730 55.300 -0.080 0.000 1.160 278 M CB 0.495 33.117 32.600 0.037 0.000 1.491 278 M HN 0.083 nan 8.290 nan 0.000 0.459 279 Y N 3.242 123.630 120.300 0.147 0.000 2.335 279 Y HA 0.641 5.191 4.550 0.000 0.000 0.339 279 Y C 0.119 176.090 175.900 0.119 0.000 0.987 279 Y CA -0.354 57.834 58.100 0.147 0.000 1.140 279 Y CB 1.298 39.820 38.460 0.103 0.000 1.173 279 Y HN 0.782 nan 8.280 nan 0.000 0.486 280 A N 3.356 126.313 122.820 0.228 0.000 2.469 280 A HA 0.624 4.944 4.320 0.000 0.000 0.299 280 A C -1.296 176.387 177.584 0.163 0.000 1.098 280 A CA -0.882 51.275 52.037 0.200 0.000 0.737 280 A CB 1.681 20.839 19.000 0.264 0.000 1.312 280 A HN 0.649 nan 8.150 nan 0.000 0.414 281 N N 1.349 120.131 118.700 0.137 0.000 2.399 281 N HA 0.551 5.291 4.740 0.000 0.000 0.284 281 N C -1.722 173.853 175.510 0.109 0.000 1.025 281 N CA -0.222 52.889 53.050 0.102 0.000 0.885 281 N CB 1.077 39.608 38.487 0.073 0.000 1.339 281 N HN 0.604 nan 8.380 nan 0.000 0.487 282 L N 1.851 123.139 121.223 0.109 0.000 2.341 282 L HA 0.593 4.933 4.340 0.000 0.000 0.278 282 L C 1.266 178.189 176.870 0.089 0.000 1.005 282 L CA -1.137 53.772 54.840 0.115 0.000 0.818 282 L CB 1.798 43.952 42.059 0.158 0.000 1.259 282 L HN 0.432 nan 8.230 nan 0.000 0.418 283 G N 2.099 110.947 108.800 0.081 0.000 2.572 283 G HA2 0.492 4.452 3.960 0.000 0.000 0.261 283 G HA3 0.492 4.452 3.960 0.000 0.000 0.261 283 G C 0.077 175.023 174.900 0.076 0.000 1.197 283 G CA -0.778 44.365 45.100 0.072 0.000 0.870 283 G HN 0.690 nan 8.290 nan 0.000 0.548 284 I N -0.668 119.944 120.570 0.071 0.000 2.813 284 I HA 0.523 4.693 4.170 0.000 0.000 0.287 284 I C 0.998 177.161 176.117 0.077 0.000 1.196 284 I CA 0.364 61.713 61.300 0.081 0.000 1.421 284 I CB 0.230 38.274 38.000 0.073 0.000 1.365 284 I HN 1.166 nan 8.210 nan 0.000 0.591 285 G N 4.164 113.017 108.800 0.088 0.000 2.513 285 G HA2 -0.240 3.720 3.960 0.000 0.000 0.227 285 G HA3 -0.240 3.720 3.960 0.000 0.000 0.227 285 G C 0.342 175.290 174.900 0.081 0.000 1.176 285 G CA -0.046 45.100 45.100 0.076 0.000 0.967 285 G HN 0.712 nan 8.290 nan 0.000 0.587 286 I N 2.351 122.956 120.570 0.058 0.000 2.145 286 I HA -0.161 4.009 4.170 0.000 0.000 0.244 286 I C 0.107 176.266 176.117 0.071 0.000 1.075 286 I CA 2.539 63.868 61.300 0.049 0.000 1.332 286 I CB -1.227 36.782 38.000 0.016 0.000 1.033 286 I HN 0.329 nan 8.210 nan 0.000 0.410 287 P HA -0.197 nan 4.420 nan 0.000 0.214 287 P C 1.871 179.275 177.300 0.173 0.000 1.163 287 P CA 1.270 64.430 63.100 0.099 0.000 0.883 287 P CB -0.003 31.744 31.700 0.079 0.000 0.788 288 L N -1.217 120.092 121.223 0.143 0.000 2.141 288 L HA -0.086 4.254 4.340 0.000 0.000 0.209 288 L C 2.142 179.106 176.870 0.157 0.000 1.094 288 L CA 1.581 56.503 54.840 0.137 0.000 0.763 288 L CB -1.307 40.815 42.059 0.104 0.000 0.908 288 L HN -0.115 nan 8.230 nan 0.000 0.437 289 L N -0.769 120.554 121.223 0.168 0.000 2.083 289 L HA -0.154 4.186 4.340 0.000 0.000 0.209 289 L C 2.519 179.564 176.870 0.293 0.000 1.083 289 L CA 1.099 56.063 54.840 0.206 0.000 0.752 289 L CB -0.743 41.415 42.059 0.166 0.000 0.899 289 L HN 0.348 nan 8.230 nan 0.000 0.433 290 A N -0.383 122.595 122.820 0.263 0.000 2.121 290 A HA -0.145 4.175 4.320 0.000 0.000 0.218 290 A C 2.375 180.264 177.584 0.508 0.000 1.154 290 A CA 1.416 53.660 52.037 0.346 0.000 0.679 290 A CB -0.490 18.654 19.000 0.239 0.000 0.795 290 A HN 0.513 nan 8.150 nan 0.000 0.458 291 S N -0.159 115.733 115.700 0.320 0.000 2.561 291 S HA -0.027 4.443 4.470 0.000 0.000 0.225 291 S C 1.162 175.751 174.600 -0.018 0.000 0.977 291 S CA 0.638 58.821 58.200 -0.029 0.000 0.926 291 S CB -0.475 62.646 63.200 -0.132 0.000 0.769 291 S HN 0.582 nan 8.310 nan 0.000 0.533 292 N N 0.368 119.153 118.700 0.142 0.000 2.461 292 N HA 0.154 4.894 4.740 0.000 0.000 0.188 292 N C -0.393 174.959 175.510 -0.262 0.000 1.134 292 N CA 0.589 53.609 53.050 -0.050 0.000 0.878 292 N CB -0.048 38.413 38.487 -0.043 0.000 0.972 292 N HN 0.498 nan 8.380 nan 0.000 0.456 293 F N 0.340 120.299 119.950 0.015 0.000 2.724 293 F HA 0.411 4.938 4.527 0.000 0.000 0.310 293 F C 0.676 176.489 175.800 0.021 0.000 1.107 293 F CA -0.604 57.414 58.000 0.031 0.000 1.218 293 F CB 0.259 39.300 39.000 0.068 0.000 1.042 293 F HN -0.197 nan 8.300 nan 0.000 0.540 294 I N 0.511 121.123 120.570 0.071 0.000 2.618 294 I HA -0.028 4.142 4.170 0.000 0.000 0.284 294 I C 1.157 177.258 176.117 -0.027 0.000 1.146 294 I CA -0.149 61.141 61.300 -0.018 0.000 1.425 294 I CB 0.668 38.512 38.000 -0.260 0.000 1.383 294 I HN 0.017 nan 8.210 nan 0.000 0.562 295 S N 7.496 123.198 115.700 0.004 0.000 2.561 295 S HA 0.010 4.480 4.470 0.000 0.000 0.294 295 S C -1.395 173.176 174.600 -0.048 0.000 1.294 295 S CA -0.771 57.423 58.200 -0.010 0.000 1.055 295 S CB 0.630 63.831 63.200 0.001 0.000 0.819 295 S HN 0.402 nan 8.310 nan 0.000 0.503 296 P HA -0.011 nan 4.420 nan 0.000 0.222 296 P C 0.421 177.686 177.300 -0.058 0.000 1.147 296 P CA 0.853 63.917 63.100 -0.059 0.000 0.790 296 P CB 0.058 31.729 31.700 -0.048 0.000 0.780 297 N N -1.438 117.234 118.700 -0.047 0.000 2.270 297 N HA 0.092 4.832 4.740 0.000 0.000 0.198 297 N C 0.382 175.859 175.510 -0.056 0.000 1.117 297 N CA 0.142 53.165 53.050 -0.044 0.000 0.845 297 N CB 0.191 38.661 38.487 -0.029 0.000 0.980 297 N HN 0.279 nan 8.380 nan 0.000 0.486 298 M N 1.038 120.595 119.600 -0.072 0.000 2.205 298 M HA 0.209 4.689 4.480 0.000 0.000 0.344 298 M C -0.942 175.267 176.300 -0.152 0.000 1.085 298 M CA -0.175 55.070 55.300 -0.091 0.000 1.001 298 M CB 1.117 33.677 32.600 -0.066 0.000 1.626 298 M HN -0.238 nan 8.290 nan 0.000 0.442 299 T N 4.841 119.282 114.554 -0.188 0.000 2.762 299 T HA 0.462 4.812 4.350 0.000 0.000 0.303 299 T C -0.651 173.767 174.700 -0.470 0.000 0.977 299 T CA -0.445 61.474 62.100 -0.302 0.000 0.961 299 T CB 0.211 68.914 68.868 -0.275 0.000 0.944 299 T HN 0.473 nan 8.240 nan 0.000 0.481 300 V N 5.057 124.685 119.914 -0.476 0.000 2.448 300 V HA 0.333 4.453 4.120 0.000 0.000 0.295 300 V C -0.188 175.596 176.094 -0.517 0.000 1.025 300 V CA -1.082 60.928 62.300 -0.483 0.000 0.859 300 V CB 1.287 32.882 31.823 -0.381 0.000 0.988 300 V HN 0.788 nan 8.190 nan 0.000 0.431 301 H N 5.273 124.194 119.070 -0.250 0.000 2.652 301 H HA 0.453 5.009 4.556 0.000 0.000 0.298 301 H C -0.449 174.853 175.328 -0.042 0.000 1.076 301 H CA -0.317 55.630 56.048 -0.168 0.000 1.360 301 H CB 1.293 30.894 29.762 -0.269 0.000 1.421 301 H HN 0.439 nan 8.280 nan 0.000 0.464 302 L N 3.119 124.380 121.223 0.062 0.000 2.276 302 L HA 0.229 4.569 4.340 0.000 0.000 0.286 302 L C 0.657 177.576 176.870 0.082 0.000 1.061 302 L CA -0.337 54.535 54.840 0.054 0.000 0.807 302 L CB 1.193 43.240 42.059 -0.019 0.000 1.177 302 L HN 0.416 nan 8.230 nan 0.000 0.429 303 Q N 2.335 122.194 119.800 0.098 0.000 2.282 303 Q HA 0.350 4.691 4.340 0.000 0.000 0.260 303 Q C -1.263 174.750 176.000 0.021 0.000 0.964 303 Q CA -0.220 55.634 55.803 0.086 0.000 0.880 303 Q CB 2.309 31.115 28.738 0.113 0.000 1.286 303 Q HN 0.597 nan 8.270 nan 0.000 0.445 304 S N 1.908 117.589 115.700 -0.032 0.000 2.454 304 S HA 0.138 4.608 4.470 0.000 0.000 0.306 304 S C 0.873 175.367 174.600 -0.176 0.000 1.100 304 S CA -0.485 57.657 58.200 -0.096 0.000 1.087 304 S CB 0.835 63.956 63.200 -0.132 0.000 1.019 304 S HN 0.683 nan 8.310 nan 0.000 0.480 305 E N 3.406 123.485 120.200 -0.201 0.000 2.265 305 E HA -0.188 4.162 4.350 0.000 0.000 0.196 305 E C 0.817 177.152 176.600 -0.442 0.000 0.996 305 E CA 1.016 57.187 56.400 -0.381 0.000 0.832 305 E CB -0.426 29.141 29.700 -0.222 0.000 0.756 305 E HN 0.703 nan 8.360 nan 0.000 0.491 306 N N 0.959 119.337 118.700 -0.537 0.000 2.449 306 N HA 0.013 4.753 4.740 0.000 0.000 0.191 306 N C 0.827 175.996 175.510 -0.570 0.000 1.161 306 N CA 0.822 53.383 53.050 -0.816 0.000 0.863 306 N CB 0.727 38.222 38.487 -1.653 0.000 0.980 306 N HN 0.332 nan 8.380 nan 0.000 0.458 307 G N 0.245 108.720 108.800 -0.542 0.000 2.245 307 G HA2 -0.093 3.867 3.960 0.000 0.000 0.130 307 G HA3 -0.093 3.867 3.960 0.000 0.000 0.130 307 G C -0.640 173.508 174.900 -1.252 0.000 1.040 307 G CA -0.398 44.157 45.100 -0.908 0.000 0.713 307 G HN 0.318 nan 8.290 nan 0.000 0.488 308 I N -0.189 119.880 120.570 -0.836 0.000 2.582 308 I HA 0.664 4.834 4.170 0.000 0.000 0.292 308 I C -0.763 175.254 176.117 -0.166 0.000 1.066 308 I CA -1.294 59.688 61.300 -0.530 0.000 1.053 308 I CB 2.149 40.002 38.000 -0.244 0.000 1.241 308 I HN 0.063 nan 8.210 nan 0.000 0.421 309 L N 5.250 126.435 121.223 -0.062 0.000 2.372 309 L HA 0.813 5.153 4.340 0.000 0.000 0.274 309 L C 0.230 177.086 176.870 -0.023 0.000 0.988 309 L CA 0.218 55.120 54.840 0.104 0.000 0.833 309 L CB 1.547 43.752 42.059 0.245 0.000 1.236 309 L HN 0.822 nan 8.230 nan 0.000 0.410 310 G N 4.334 113.139 108.800 0.008 0.000 2.181 310 G HA2 -0.152 3.809 3.960 0.000 0.000 0.152 310 G HA3 -0.152 3.809 3.960 0.000 0.000 0.152 310 G C -0.116 174.744 174.900 -0.066 0.000 1.026 310 G CA -0.199 44.891 45.100 -0.016 0.000 0.699 310 G HN 0.616 nan 8.290 nan 0.000 0.497 311 L N 0.559 121.744 121.223 -0.064 0.000 2.559 311 L HA 0.408 4.749 4.340 0.000 0.000 0.282 311 L C 1.497 178.308 176.870 -0.100 0.000 1.232 311 L CA 1.069 55.858 54.840 -0.086 0.000 0.885 311 L CB 0.444 42.455 42.059 -0.080 0.000 1.131 311 L HN 0.361 nan 8.230 nan 0.000 0.498 312 G N 3.383 112.118 108.800 -0.109 0.000 2.938 312 G HA2 0.644 4.604 3.960 0.000 0.000 0.258 312 G HA3 0.644 4.604 3.960 0.000 0.000 0.258 312 G C -2.643 172.155 174.900 -0.169 0.000 1.356 312 G CA -0.818 44.212 45.100 -0.117 0.000 1.052 312 G HN 0.440 nan 8.290 nan 0.000 0.550 313 P HA 0.174 nan 4.420 nan 0.000 0.274 313 P C -1.013 176.181 177.300 -0.176 0.000 1.260 313 P CA -0.307 62.679 63.100 -0.190 0.000 0.793 313 P CB 0.536 32.186 31.700 -0.084 0.000 1.048 314 Y N 0.130 120.425 120.300 -0.009 0.000 2.397 314 Y HA 0.154 4.705 4.550 0.001 0.000 0.335 314 Y C -1.243 174.654 175.900 -0.005 0.000 1.213 314 Y CA -1.681 56.418 58.100 -0.002 0.000 1.391 314 Y CB -0.819 37.641 38.460 0.001 0.000 1.293 314 Y HN 0.302 nan 8.280 nan 0.000 0.557 315 P HA 0.116 nan 4.420 nan 0.000 0.274 315 P C -0.605 176.736 177.300 0.069 0.000 1.231 315 P CA -0.128 63.023 63.100 0.084 0.000 0.790 315 P CB 1.112 32.851 31.700 0.066 0.000 0.951 316 L N 1.550 122.798 121.223 0.042 0.000 2.475 316 L HA 0.128 4.468 4.340 0.000 0.000 0.253 316 L C 2.555 179.438 176.870 0.023 0.000 1.198 316 L CA -0.205 54.652 54.840 0.029 0.000 0.814 316 L CB -0.180 41.891 42.059 0.020 0.000 1.134 316 L HN 0.500 nan 8.230 nan 0.000 0.478 317 Q N 1.264 121.073 119.800 0.014 0.000 2.096 317 Q HA -0.256 4.084 4.340 0.000 0.000 0.208 317 Q C 1.506 177.513 176.000 0.010 0.000 0.993 317 Q CA 2.259 58.068 55.803 0.010 0.000 0.862 317 Q CB -0.087 28.654 28.738 0.005 0.000 0.915 317 Q HN 0.783 nan 8.270 nan 0.000 0.416 318 N N -0.462 118.244 118.700 0.011 0.000 2.521 318 N HA -0.126 4.614 4.740 0.000 0.000 0.188 318 N C 0.092 175.609 175.510 0.011 0.000 1.146 318 N CA 0.796 53.852 53.050 0.010 0.000 0.893 318 N CB 0.179 38.672 38.487 0.010 0.000 0.975 318 N HN 0.442 nan 8.380 nan 0.000 0.451 319 E N -0.134 120.075 120.200 0.014 0.000 2.526 319 E HA 0.160 4.511 4.350 0.000 0.000 0.208 319 E C -0.341 176.268 176.600 0.015 0.000 0.997 319 E CA -0.281 56.127 56.400 0.015 0.000 0.961 319 E CB 1.101 30.813 29.700 0.019 0.000 1.030 319 E HN 0.041 nan 8.360 nan 0.000 0.483 320 V N 2.897 122.820 119.914 0.015 0.000 2.493 320 V HA -0.030 4.091 4.120 0.000 0.000 0.292 320 V C 0.029 176.124 176.094 0.001 0.000 1.016 320 V CA 0.637 62.946 62.300 0.015 0.000 1.097 320 V CB 0.302 32.132 31.823 0.012 0.000 0.947 320 V HN 0.154 nan 8.190 nan 0.000 0.479 321 D N 4.114 124.512 120.400 -0.003 0.000 2.542 321 D HA 0.452 5.092 4.640 0.000 0.000 0.252 321 D C 0.687 176.971 176.300 -0.027 0.000 1.222 321 D CA -0.138 53.845 54.000 -0.028 0.000 0.895 321 D CB 2.175 42.946 40.800 -0.050 0.000 1.207 321 D HN 0.486 nan 8.370 nan 0.000 0.558 322 A N 3.510 126.314 122.820 -0.028 0.000 2.076 322 A HA -0.177 4.143 4.320 0.000 0.000 0.220 322 A C 1.346 178.916 177.584 -0.023 0.000 1.160 322 A CA 1.249 53.278 52.037 -0.014 0.000 0.653 322 A CB 0.017 19.010 19.000 -0.011 0.000 0.801 322 A HN 0.515 nan 8.150 nan 0.000 0.455 323 D N -1.543 118.811 120.400 -0.077 0.000 2.355 323 D HA 0.139 4.779 4.640 0.000 0.000 0.218 323 D C -0.186 176.035 176.300 -0.132 0.000 1.004 323 D CA 0.372 54.298 54.000 -0.123 0.000 0.880 323 D CB 0.279 40.941 40.800 -0.229 0.000 0.911 323 D HN 0.327 nan 8.370 nan 0.000 0.528 324 L N 1.802 122.979 121.223 -0.077 0.000 2.345 324 L HA 0.399 4.739 4.340 0.000 0.000 0.274 324 L C -0.725 176.154 176.870 0.015 0.000 0.999 324 L CA -0.712 54.102 54.840 -0.044 0.000 0.849 324 L CB 0.616 42.662 42.059 -0.021 0.000 1.220 324 L HN -0.092 nan 8.230 nan 0.000 0.422 325 I N 1.365 121.953 120.570 0.031 0.000 2.969 325 I HA 0.695 4.865 4.170 0.000 0.000 0.307 325 I C -0.683 175.474 176.117 0.066 0.000 1.149 325 I CA -0.969 60.379 61.300 0.079 0.000 1.008 325 I CB 2.135 40.216 38.000 0.134 0.000 1.232 325 I HN 0.561 nan 8.210 nan 0.000 0.435 326 N N 2.822 121.576 118.700 0.091 0.000 2.418 326 N HA 0.418 5.159 4.740 0.000 0.000 0.283 326 N C 0.874 176.475 175.510 0.151 0.000 1.267 326 N CA -0.059 53.028 53.050 0.063 0.000 0.975 326 N CB 0.502 39.018 38.487 0.049 0.000 1.167 326 N HN 0.819 nan 8.380 nan 0.000 0.581 327 A N -0.961 121.937 122.820 0.129 0.000 1.978 327 A HA 0.031 4.351 4.320 0.000 0.000 0.220 327 A C 1.844 179.596 177.584 0.281 0.000 1.170 327 A CA 1.636 53.837 52.037 0.274 0.000 0.636 327 A CB -1.594 17.510 19.000 0.172 0.000 0.810 327 A HN 0.814 nan 8.150 nan 0.000 0.448 328 G N -1.494 107.407 108.800 0.169 0.000 2.956 328 G HA2 0.191 4.151 3.960 0.000 0.000 0.207 328 G HA3 0.191 4.151 3.960 0.000 0.000 0.207 328 G C 0.584 175.561 174.900 0.128 0.000 1.162 328 G CA 0.556 45.726 45.100 0.117 0.000 0.796 328 G HN 0.353 nan 8.290 nan 0.000 0.527 329 K N -0.382 120.131 120.400 0.189 0.000 3.281 329 K HA -0.160 4.160 4.320 0.000 0.000 0.295 329 K C -0.085 176.598 176.600 0.137 0.000 1.233 329 K CA 0.919 57.306 56.287 0.166 0.000 0.866 329 K CB -1.931 30.623 32.500 0.090 0.000 1.265 329 K HN 0.648 nan 8.250 nan 0.000 0.482 330 E N 1.025 121.318 120.200 0.156 0.000 2.242 330 E HA 0.229 4.579 4.350 0.000 0.000 0.275 330 E C 0.187 176.887 176.600 0.166 0.000 1.002 330 E CA -0.448 56.048 56.400 0.161 0.000 0.841 330 E CB 0.888 30.736 29.700 0.248 0.000 1.109 330 E HN 0.220 nan 8.360 nan 0.000 0.394 331 T N -0.516 114.123 114.554 0.142 0.000 2.853 331 T HA 0.300 4.650 4.350 0.000 0.000 0.298 331 T C 0.451 175.264 174.700 0.189 0.000 0.978 331 T CA -0.744 61.431 62.100 0.124 0.000 1.152 331 T CB 0.079 68.998 68.868 0.085 0.000 0.914 331 T HN 0.296 nan 8.240 nan 0.000 0.539 332 V N 0.019 120.000 119.914 0.111 0.000 3.204 332 V HA 0.999 5.120 4.120 0.000 0.000 0.308 332 V C 0.076 176.187 176.094 0.027 0.000 1.324 332 V CA -0.612 61.721 62.300 0.056 0.000 1.042 332 V CB 1.377 33.183 31.823 -0.028 0.000 1.167 332 V HN 1.252 nan 8.190 nan 0.000 0.478 333 T N -1.395 113.151 114.554 -0.015 0.000 2.841 333 T HA 0.821 5.171 4.350 0.000 0.000 0.296 333 T C -0.695 173.988 174.700 -0.029 0.000 1.166 333 T CA -0.117 61.980 62.100 -0.005 0.000 1.007 333 T CB 1.398 70.261 68.868 -0.008 0.000 1.253 333 T HN 2.093 nan 8.240 nan 0.000 0.511 334 V N -0.502 119.398 119.914 -0.023 0.000 2.864 334 V HA 0.806 4.926 4.120 0.000 0.000 0.314 334 V C -0.484 175.575 176.094 -0.060 0.000 1.073 334 V CA -1.333 60.926 62.300 -0.067 0.000 0.956 334 V CB 1.208 32.952 31.823 -0.131 0.000 1.023 334 V HN 1.010 nan 8.190 nan 0.000 0.435 335 L N 3.412 124.594 121.223 -0.068 0.000 2.379 335 L HA 0.522 4.862 4.340 0.000 0.000 0.269 335 L C -1.952 174.891 176.870 -0.045 0.000 1.084 335 L CA -1.802 53.008 54.840 -0.050 0.000 0.802 335 L CB 1.345 43.375 42.059 -0.048 0.000 1.175 335 L HN 0.522 nan 8.230 nan 0.000 0.448 336 P HA 0.006 nan 4.420 nan 0.000 0.265 336 P C 0.606 177.894 177.300 -0.021 0.000 1.187 336 P CA 0.583 63.670 63.100 -0.022 0.000 0.766 336 P CB 0.794 32.488 31.700 -0.011 0.000 0.820 337 G N 0.720 109.505 108.800 -0.025 0.000 2.175 337 G HA2 -0.092 3.868 3.960 0.000 0.000 0.244 337 G HA3 -0.092 3.868 3.960 0.000 0.000 0.244 337 G C 0.355 175.226 174.900 -0.047 0.000 0.982 337 G CA 0.094 45.180 45.100 -0.023 0.000 0.641 337 G HN 0.889 nan 8.290 nan 0.000 0.527 338 A N -0.218 122.551 122.820 -0.085 0.000 2.272 338 A HA 0.919 5.239 4.320 0.000 0.000 0.275 338 A C 0.725 178.181 177.584 -0.213 0.000 1.096 338 A CA 0.880 52.827 52.037 -0.151 0.000 0.822 338 A CB 0.891 19.759 19.000 -0.221 0.000 1.088 338 A HN 2.037 nan 8.150 nan 0.000 0.495 339 S N -1.204 114.337 115.700 -0.264 0.000 2.588 339 S HA 0.768 5.238 4.470 0.000 0.000 0.275 339 S C -1.367 172.979 174.600 -0.423 0.000 1.130 339 S CA -0.621 57.441 58.200 -0.231 0.000 0.855 339 S CB 0.837 64.046 63.200 0.016 0.000 1.116 339 S HN 0.549 nan 8.310 nan 0.000 0.472 340 Y N 0.629 120.872 120.300 -0.095 0.000 2.549 340 Y HA 0.853 5.403 4.550 0.000 0.000 0.339 340 Y C -0.233 175.498 175.900 -0.282 0.000 1.053 340 Y CA -1.059 56.808 58.100 -0.389 0.000 1.105 340 Y CB 1.661 39.952 38.460 -0.281 0.000 1.258 340 Y HN 0.903 nan 8.280 nan 0.000 0.478 341 F N -2.378 117.553 119.950 -0.032 0.000 2.807 341 F HA 0.624 5.151 4.527 0.001 0.000 0.316 341 F C -0.647 175.027 175.800 -0.208 0.000 1.162 341 F CA -1.725 56.189 58.000 -0.144 0.000 0.910 341 F CB 0.272 39.178 39.000 -0.156 0.000 1.314 341 F HN 0.348 nan 8.300 nan 0.000 0.454 342 S N -0.076 115.608 115.700 -0.028 0.000 2.608 342 S HA 0.305 4.775 4.470 0.000 0.000 0.261 342 S C 0.693 175.200 174.600 -0.156 0.000 1.314 342 S CA 0.052 58.140 58.200 -0.187 0.000 0.992 342 S CB 1.258 64.321 63.200 -0.229 0.000 0.935 342 S HN 0.717 nan 8.310 nan 0.000 0.564 343 S N 1.564 117.065 115.700 -0.333 0.000 2.370 343 S HA -0.149 4.321 4.470 0.000 0.000 0.226 343 S C 1.785 176.304 174.600 -0.136 0.000 1.033 343 S CA 1.507 59.497 58.200 -0.350 0.000 1.011 343 S CB -0.715 61.852 63.200 -1.054 0.000 0.852 343 S HN 0.938 nan 8.310 nan 0.000 0.457 344 D N 1.296 121.569 120.400 -0.213 0.000 2.144 344 D HA -0.165 4.475 4.640 0.000 0.000 0.199 344 D C 1.791 178.054 176.300 -0.062 0.000 0.984 344 D CA 1.248 55.186 54.000 -0.104 0.000 0.834 344 D CB -0.513 40.199 40.800 -0.145 0.000 0.955 344 D HN 0.392 nan 8.370 nan 0.000 0.465 345 E N 0.934 121.084 120.200 -0.083 0.000 2.107 345 E HA -0.108 4.243 4.350 0.000 0.000 0.191 345 E C 2.046 178.552 176.600 -0.157 0.000 0.982 345 E CA 1.192 57.521 56.400 -0.119 0.000 0.809 345 E CB -0.407 29.228 29.700 -0.109 0.000 0.756 345 E HN 0.136 nan 8.360 nan 0.000 0.459 346 S N -1.267 114.416 115.700 -0.028 0.000 2.368 346 S HA -0.079 4.391 4.470 0.000 0.000 0.225 346 S C 1.437 175.865 174.600 -0.287 0.000 1.030 346 S CA 1.055 59.212 58.200 -0.073 0.000 0.999 346 S CB -0.383 62.795 63.200 -0.037 0.000 0.844 346 S HN 0.368 nan 8.310 nan 0.000 0.459 347 F N 1.242 121.168 119.950 -0.040 0.000 2.615 347 F HA 0.383 4.910 4.527 0.000 0.000 0.297 347 F C 2.237 178.019 175.800 -0.030 0.000 1.124 347 F CA 0.366 58.353 58.000 -0.021 0.000 1.451 347 F CB -0.412 38.580 39.000 -0.014 0.000 1.103 347 F HN 0.247 nan 8.300 nan 0.000 0.569 348 A N -0.412 122.440 122.820 0.053 0.000 1.968 348 A HA -0.137 4.184 4.320 0.000 0.000 0.217 348 A C 2.214 179.816 177.584 0.030 0.000 1.169 348 A CA 1.126 53.171 52.037 0.013 0.000 0.638 348 A CB -0.571 18.391 19.000 -0.063 0.000 0.812 348 A HN 0.384 nan 8.150 nan 0.000 0.446 349 M N -0.765 118.797 119.600 -0.063 0.000 2.200 349 M HA -0.006 4.475 4.480 0.000 0.000 0.265 349 M C 1.760 178.102 176.300 0.069 0.000 1.066 349 M CA 1.589 56.856 55.300 -0.055 0.000 1.127 349 M CB -0.172 32.241 32.600 -0.311 0.000 1.379 349 M HN 0.414 nan 8.290 nan 0.000 0.420 350 I N -0.902 119.677 120.570 0.015 0.000 2.333 350 I HA -0.203 3.968 4.170 0.000 0.000 0.246 350 I C 2.534 178.706 176.117 0.091 0.000 1.106 350 I CA 0.830 62.160 61.300 0.049 0.000 1.411 350 I CB -0.399 37.621 38.000 0.035 0.000 1.082 350 I HN 0.258 nan 8.210 nan 0.000 0.420 351 R N 0.948 121.525 120.500 0.128 0.000 2.148 351 R HA -0.082 4.259 4.340 0.000 0.000 0.227 351 R C 1.866 178.206 176.300 0.066 0.000 1.103 351 R CA 1.239 57.411 56.100 0.120 0.000 0.983 351 R CB -0.211 30.175 30.300 0.143 0.000 0.874 351 R HN 0.394 nan 8.270 nan 0.000 0.451 352 G N -1.069 107.754 108.800 0.038 0.000 3.233 352 G HA2 0.137 4.097 3.960 0.000 0.000 0.227 352 G HA3 0.137 4.097 3.960 0.000 0.000 0.227 352 G C 0.639 175.352 174.900 -0.313 0.000 1.175 352 G CA 0.258 45.301 45.100 -0.094 0.000 0.781 352 G HN 0.450 nan 8.290 nan 0.000 0.542 353 G N 0.294 109.001 108.800 -0.156 0.000 2.249 353 G HA2 -0.291 3.669 3.960 0.000 0.000 0.273 353 G HA3 -0.291 3.669 3.960 0.000 0.000 0.273 353 G C 0.822 175.584 174.900 -0.231 0.000 1.036 353 G CA 0.536 45.544 45.100 -0.153 0.000 0.824 353 G HN 0.593 nan 8.290 nan 0.000 0.504 354 H N -1.403 117.631 119.070 -0.061 0.000 2.525 354 H HA 0.147 4.703 4.556 0.000 0.000 0.275 354 H C 1.468 176.739 175.328 -0.095 0.000 0.984 354 H CA 0.892 56.870 56.048 -0.116 0.000 1.264 354 H CB 0.476 30.118 29.762 -0.200 0.000 1.432 354 H HN 0.328 nan 8.280 nan 0.000 0.549 355 V N 2.647 122.595 119.914 0.057 0.000 2.488 355 V HA -0.016 4.104 4.120 0.000 0.000 0.277 355 V C 0.807 176.966 176.094 0.109 0.000 1.046 355 V CA 0.068 62.427 62.300 0.097 0.000 0.986 355 V CB 1.203 33.074 31.823 0.079 0.000 0.989 355 V HN 0.393 nan 8.190 nan 0.000 0.475 356 N N 3.294 122.096 118.700 0.171 0.000 2.171 356 N HA 0.040 4.780 4.740 0.000 0.000 0.184 356 N C 0.034 175.603 175.510 0.099 0.000 1.021 356 N CA 0.546 53.677 53.050 0.135 0.000 0.854 356 N CB 0.190 38.779 38.487 0.170 0.000 0.994 356 N HN 0.485 nan 8.380 nan 0.000 0.426 357 L N 0.129 121.419 121.223 0.111 0.000 2.436 357 L HA 0.421 4.761 4.340 0.000 0.000 0.268 357 L C -1.467 175.452 176.870 0.081 0.000 0.974 357 L CA -0.296 54.591 54.840 0.079 0.000 0.826 357 L CB 2.319 44.417 42.059 0.066 0.000 1.291 357 L HN -0.243 nan 8.230 nan 0.000 0.406 358 T N 6.123 120.711 114.554 0.056 0.000 2.786 358 T HA 0.590 4.940 4.350 0.000 0.000 0.283 358 T C -0.674 174.047 174.700 0.035 0.000 0.992 358 T CA -0.151 61.984 62.100 0.058 0.000 0.954 358 T CB 0.954 69.859 68.868 0.061 0.000 0.934 358 T HN 0.679 nan 8.240 nan 0.000 0.440 359 M N 6.078 125.700 119.600 0.037 0.000 2.197 359 M HA 0.706 5.186 4.480 0.000 0.000 0.301 359 M C -1.623 174.697 176.300 0.034 0.000 0.987 359 M CA -0.799 54.507 55.300 0.010 0.000 0.921 359 M CB 0.834 33.411 32.600 -0.037 0.000 1.569 359 M HN 0.695 nan 8.290 nan 0.000 0.431 360 L N 1.729 122.971 121.223 0.031 0.000 2.491 360 L HA 1.031 5.371 4.340 0.000 0.000 0.254 360 L C -0.300 176.592 176.870 0.036 0.000 1.048 360 L CA -1.100 53.766 54.840 0.043 0.000 0.855 360 L CB 1.288 43.381 42.059 0.056 0.000 1.466 360 L HN 0.647 nan 8.230 nan 0.000 0.409 361 G N -0.475 108.351 108.800 0.043 0.000 2.563 361 G HA2 0.762 4.722 3.960 0.000 0.000 0.283 361 G HA3 0.762 4.722 3.960 0.000 0.000 0.283 361 G C -0.755 174.172 174.900 0.044 0.000 1.309 361 G CA -0.041 45.081 45.100 0.037 0.000 1.022 361 G HN 1.321 nan 8.290 nan 0.000 0.501 362 A N -1.341 121.502 122.820 0.038 0.000 2.583 362 A HA 0.523 4.843 4.320 0.000 0.000 0.292 362 A C 0.299 177.900 177.584 0.029 0.000 1.045 362 A CA -0.380 51.682 52.037 0.042 0.000 0.672 362 A CB 0.522 19.544 19.000 0.037 0.000 1.283 362 A HN 0.526 nan 8.150 nan 0.000 0.419 363 M N -0.263 119.354 119.600 0.030 0.000 2.447 363 M HA 0.152 4.632 4.480 0.000 0.000 0.266 363 M C 0.277 176.581 176.300 0.007 0.000 1.120 363 M CA 1.217 56.526 55.300 0.015 0.000 1.166 363 M CB 0.230 32.835 32.600 0.008 0.000 1.349 363 M HN 0.706 nan 8.290 nan 0.000 0.463 364 Q N -0.066 119.741 119.800 0.011 0.000 2.391 364 Q HA 0.578 4.918 4.340 0.000 0.000 0.279 364 Q C -1.533 174.467 176.000 0.000 0.000 1.028 364 Q CA -0.613 55.191 55.803 0.001 0.000 0.836 364 Q CB 3.579 32.320 28.738 0.005 0.000 1.414 364 Q HN -0.064 nan 8.270 nan 0.000 0.397 365 V N 1.446 121.344 119.914 -0.027 0.000 2.638 365 V HA 0.479 4.599 4.120 0.000 0.000 0.306 365 V C -0.223 175.835 176.094 -0.059 0.000 1.052 365 V CA -0.606 61.675 62.300 -0.032 0.000 0.885 365 V CB 1.933 33.725 31.823 -0.051 0.000 0.999 365 V HN 0.925 nan 8.190 nan 0.000 0.424 366 S N 3.705 119.387 115.700 -0.029 0.000 2.669 366 S HA 0.346 4.816 4.470 0.000 0.000 0.270 366 S C 1.022 175.541 174.600 -0.136 0.000 1.225 366 S CA -0.334 57.833 58.200 -0.054 0.000 0.991 366 S CB 1.080 64.314 63.200 0.058 0.000 0.987 366 S HN 0.869 nan 8.310 nan 0.000 0.552 367 K N -0.244 119.988 120.400 -0.279 0.000 2.360 367 K HA -0.131 4.189 4.320 0.000 0.000 0.201 367 K C 0.487 176.892 176.600 -0.326 0.000 1.046 367 K CA 1.361 57.426 56.287 -0.369 0.000 0.945 367 K CB -0.584 31.624 32.500 -0.486 0.000 0.750 367 K HN 0.729 nan 8.250 nan 0.000 0.464 368 Y N 0.609 120.886 120.300 -0.038 0.000 2.466 368 Y HA 0.248 4.798 4.550 0.000 0.000 0.272 368 Y C 1.487 177.376 175.900 -0.017 0.000 1.169 368 Y CA 0.171 58.258 58.100 -0.022 0.000 1.285 368 Y CB 0.586 39.036 38.460 -0.017 0.000 1.078 368 Y HN 0.366 nan 8.280 nan 0.000 0.523 369 G N -0.213 108.638 108.800 0.085 0.000 2.141 369 G HA2 -0.235 3.725 3.960 0.000 0.000 0.231 369 G HA3 -0.235 3.725 3.960 0.000 0.000 0.231 369 G C -0.447 174.493 174.900 0.067 0.000 0.984 369 G CA -0.139 44.996 45.100 0.058 0.000 0.660 369 G HN 0.257 nan 8.290 nan 0.000 0.525 370 D N 0.078 120.531 120.400 0.089 0.000 2.382 370 D HA 0.444 5.084 4.640 0.000 0.000 0.245 370 D C 0.306 176.641 176.300 0.059 0.000 1.120 370 D CA 0.115 54.161 54.000 0.076 0.000 0.890 370 D CB 2.056 42.911 40.800 0.091 0.000 1.201 370 D HN 0.297 nan 8.370 nan 0.000 0.433 371 L N 1.027 122.289 121.223 0.066 0.000 2.346 371 L HA 0.612 4.952 4.340 0.000 0.000 0.276 371 L C -1.200 175.733 176.870 0.105 0.000 1.006 371 L CA -0.827 54.056 54.840 0.072 0.000 0.817 371 L CB 1.723 43.825 42.059 0.072 0.000 1.272 371 L HN 0.380 nan 8.230 nan 0.000 0.421 372 A N 3.898 126.776 122.820 0.097 0.000 2.466 372 A HA 0.645 4.965 4.320 0.000 0.000 0.291 372 A C -0.519 177.131 177.584 0.109 0.000 1.234 372 A CA -0.296 51.811 52.037 0.118 0.000 0.752 372 A CB 0.007 19.042 19.000 0.059 0.000 1.153 372 A HN 0.816 nan 8.150 nan 0.000 0.458 373 N N 0.899 119.714 118.700 0.191 0.000 2.286 373 N HA 0.005 4.745 4.740 0.000 0.000 0.245 373 N C 0.191 175.846 175.510 0.241 0.000 1.363 373 N CA -0.015 53.132 53.050 0.160 0.000 0.822 373 N CB -0.107 38.463 38.487 0.138 0.000 1.345 373 N HN 0.785 nan 8.380 nan 0.000 0.494 374 W N -0.192 121.140 121.300 0.054 0.000 2.592 374 W HA 0.556 5.216 4.660 0.000 0.000 0.306 374 W C -0.702 175.869 176.519 0.086 0.000 0.991 374 W CA -0.368 57.021 57.345 0.074 0.000 1.430 374 W CB 0.247 29.751 29.460 0.074 0.000 1.017 374 W HN -0.025 nan 8.180 nan 0.000 0.557 375 M N 1.669 120.826 119.600 -0.737 0.000 2.413 375 M HA 0.511 4.991 4.480 0.000 0.000 0.287 375 M C -2.365 173.686 176.300 -0.415 0.000 1.186 375 M CA -0.488 54.383 55.300 -0.714 0.000 0.927 375 M CB 2.575 34.329 32.600 -1.410 0.000 1.715 375 M HN -0.093 nan 8.290 nan 0.000 0.478 376 I N 4.936 125.361 120.570 -0.241 0.000 2.493 376 I HA 0.383 4.553 4.170 0.000 0.000 0.279 376 I C -2.366 173.680 176.117 -0.120 0.000 1.045 376 I CA -1.868 59.343 61.300 -0.149 0.000 1.106 376 I CB 1.815 39.762 38.000 -0.087 0.000 1.216 376 I HN 0.431 nan 8.210 nan 0.000 0.459 377 P HA -0.012 nan 4.420 nan 0.000 0.261 377 P C 1.005 178.272 177.300 -0.055 0.000 1.173 377 P CA 0.953 64.013 63.100 -0.067 0.000 0.760 377 P CB 0.547 32.214 31.700 -0.055 0.000 0.783 378 G N 2.626 111.394 108.800 -0.053 0.000 2.175 378 G HA2 -0.331 3.629 3.960 0.000 0.000 0.265 378 G HA3 -0.331 3.629 3.960 0.000 0.000 0.265 378 G C 0.750 175.595 174.900 -0.092 0.000 0.979 378 G CA 0.918 45.963 45.100 -0.092 0.000 0.663 378 G HN 0.575 nan 8.290 nan 0.000 0.533 379 K N -2.142 118.215 120.400 -0.071 0.000 2.735 379 K HA 0.413 4.733 4.320 0.000 0.000 0.197 379 K C -0.237 176.343 176.600 -0.034 0.000 1.468 379 K CA 0.026 56.279 56.287 -0.056 0.000 1.109 379 K CB 0.691 33.163 32.500 -0.047 0.000 1.732 379 K HN 0.140 nan 8.250 nan 0.000 0.541 380 L N 1.825 123.031 121.223 -0.029 0.000 2.415 380 L HA 0.322 4.662 4.340 0.000 0.000 0.268 380 L C -1.328 175.550 176.870 0.013 0.000 0.984 380 L CA -0.328 54.515 54.840 0.005 0.000 0.853 380 L CB 2.233 44.297 42.059 0.009 0.000 1.215 380 L HN -0.138 nan 8.230 nan 0.000 0.419 381 V N 4.199 124.169 119.914 0.092 0.000 2.383 381 V HA 0.334 4.455 4.120 0.000 0.000 0.261 381 V C 0.491 176.745 176.094 0.267 0.000 0.987 381 V CA -0.547 61.856 62.300 0.171 0.000 0.853 381 V CB 0.686 32.666 31.823 0.262 0.000 1.095 381 V HN 0.578 nan 8.190 nan 0.000 0.461 382 K N 1.821 122.343 120.400 0.203 0.000 2.358 382 K HA 0.494 4.814 4.320 0.000 0.000 0.197 382 K C 0.922 177.587 176.600 0.109 0.000 1.025 382 K CA 0.613 56.950 56.287 0.083 0.000 1.104 382 K CB 1.235 33.740 32.500 0.008 0.000 0.855 382 K HN 0.867 nan 8.250 nan 0.000 0.531 383 G N 2.005 111.021 108.800 0.361 0.000 2.619 383 G HA2 -0.182 3.778 3.960 0.000 0.000 0.686 383 G HA3 -0.182 3.778 3.960 0.000 0.000 0.686 383 G C 0.337 175.566 174.900 0.548 0.000 1.256 383 G CA -0.150 45.205 45.100 0.425 0.000 0.826 383 G HN 0.020 nan 8.290 nan 0.000 0.619 384 M N 0.718 120.473 119.600 0.257 0.000 2.541 384 M HA 0.383 4.864 4.480 0.000 0.000 0.252 384 M C 1.508 177.846 176.300 0.064 0.000 1.125 384 M CA 1.934 57.281 55.300 0.077 0.000 1.091 384 M CB -1.442 30.821 32.600 -0.563 0.000 1.420 384 M HN 2.792 nan 8.290 nan 0.000 0.486 385 G N 1.427 110.289 108.800 0.102 0.000 2.582 385 G HA2 -0.302 3.658 3.960 0.000 0.000 0.288 385 G HA3 -0.302 3.658 3.960 0.000 0.000 0.288 385 G C 0.613 175.557 174.900 0.074 0.000 1.247 385 G CA 0.344 45.496 45.100 0.087 0.000 0.972 385 G HN 0.835 nan 8.290 nan 0.000 0.557 386 G N 0.029 108.936 108.800 0.179 0.000 3.141 386 G HA2 0.536 4.496 3.960 0.000 0.000 0.218 386 G HA3 0.536 4.496 3.960 0.000 0.000 0.218 386 G C 1.704 176.721 174.900 0.195 0.000 1.170 386 G CA 1.765 47.029 45.100 0.273 0.000 0.769 386 G HN 1.706 nan 8.290 nan 0.000 0.546 387 A N 1.111 123.990 122.820 0.097 0.000 1.917 387 A HA -0.101 4.219 4.320 0.000 0.000 0.219 387 A C 2.335 179.941 177.584 0.037 0.000 1.182 387 A CA 1.622 53.703 52.037 0.073 0.000 0.633 387 A CB -0.316 18.726 19.000 0.070 0.000 0.819 387 A HN 0.417 nan 8.150 nan 0.000 0.448 388 M N -0.797 118.777 119.600 -0.043 0.000 2.254 388 M HA -0.097 4.383 4.480 0.000 0.000 0.265 388 M C 1.217 177.526 176.300 0.015 0.000 1.066 388 M CA 1.235 56.499 55.300 -0.059 0.000 1.123 388 M CB -0.482 32.020 32.600 -0.163 0.000 1.388 388 M HN 0.367 nan 8.290 nan 0.000 0.425 389 D N 0.698 121.130 120.400 0.054 0.000 2.149 389 D HA -0.038 4.602 4.640 0.000 0.000 0.201 389 D C 2.045 178.456 176.300 0.186 0.000 0.972 389 D CA 1.116 55.200 54.000 0.141 0.000 0.835 389 D CB -0.034 40.896 40.800 0.216 0.000 0.966 389 D HN 0.351 nan 8.370 nan 0.000 0.476 390 L N 0.972 122.306 121.223 0.185 0.000 2.362 390 L HA -0.101 4.239 4.340 0.000 0.000 0.219 390 L C 2.049 178.977 176.870 0.096 0.000 1.134 390 L CA 0.613 55.538 54.840 0.142 0.000 0.807 390 L CB 0.105 42.243 42.059 0.132 0.000 0.927 390 L HN 0.005 nan 8.230 nan 0.000 0.447 391 V N -5.713 114.250 119.914 0.082 0.000 3.427 391 V HA 0.155 4.276 4.120 0.000 0.000 0.305 391 V C 1.835 177.962 176.094 0.055 0.000 1.412 391 V CA 0.495 62.833 62.300 0.063 0.000 1.086 391 V CB 0.229 32.087 31.823 0.057 0.000 0.964 391 V HN 0.327 nan 8.190 nan 0.000 0.439 392 S N -0.188 115.550 115.700 0.063 0.000 2.461 392 S HA 0.069 4.539 4.470 0.000 0.000 0.228 392 S C 1.256 175.880 174.600 0.039 0.000 1.005 392 S CA 0.864 59.096 58.200 0.053 0.000 0.942 392 S CB -0.258 62.983 63.200 0.069 0.000 0.776 392 S HN 0.646 nan 8.310 nan 0.000 0.514 393 S N 0.722 116.450 115.700 0.046 0.000 2.523 393 S HA 0.642 5.112 4.470 0.000 0.000 0.275 393 S C 1.048 175.661 174.600 0.021 0.000 1.281 393 S CA -0.188 58.032 58.200 0.032 0.000 1.050 393 S CB 1.052 64.266 63.200 0.024 0.000 0.937 393 S HN 0.506 nan 8.310 nan 0.000 0.492 394 A N 4.893 127.721 122.820 0.015 0.000 2.119 394 A HA 0.112 4.432 4.320 0.000 0.000 0.216 394 A C 1.772 179.363 177.584 0.011 0.000 1.152 394 A CA 0.722 52.767 52.037 0.013 0.000 0.708 394 A CB -0.186 18.823 19.000 0.014 0.000 0.805 394 A HN 0.881 nan 8.150 nan 0.000 0.460 395 K N -0.098 120.303 120.400 0.002 0.000 2.444 395 K HA 0.064 4.384 4.320 0.000 0.000 0.193 395 K C -0.433 176.170 176.600 0.005 0.000 1.024 395 K CA 0.336 56.619 56.287 -0.006 0.000 1.077 395 K CB 0.217 32.693 32.500 -0.040 0.000 0.833 395 K HN 0.289 nan 8.250 nan 0.000 0.517 396 T N 1.437 116.001 114.554 0.016 0.000 2.794 396 T HA 0.148 4.498 4.350 0.000 0.000 0.280 396 T C -0.540 174.179 174.700 0.032 0.000 0.987 396 T CA -0.635 61.483 62.100 0.030 0.000 0.993 396 T CB 1.937 70.827 68.868 0.037 0.000 0.939 396 T HN -0.011 nan 8.240 nan 0.000 0.449 397 K N 3.159 123.580 120.400 0.034 0.000 2.312 397 K HA 0.403 4.723 4.320 0.000 0.000 0.287 397 K C -0.981 175.634 176.600 0.025 0.000 1.062 397 K CA -0.389 55.914 56.287 0.027 0.000 0.934 397 K CB 0.337 32.850 32.500 0.021 0.000 1.027 397 K HN 0.323 nan 8.250 nan 0.000 0.478 398 V N 5.501 125.429 119.914 0.024 0.000 2.370 398 V HA 0.273 4.393 4.120 0.000 0.000 0.283 398 V C -0.464 175.637 176.094 0.013 0.000 1.023 398 V CA -0.860 61.454 62.300 0.024 0.000 0.857 398 V CB 1.554 33.397 31.823 0.034 0.000 0.985 398 V HN 0.506 nan 8.190 nan 0.000 0.443 399 V N 5.836 125.750 119.914 -0.000 0.000 2.495 399 V HA 0.485 4.605 4.120 0.000 0.000 0.298 399 V C -0.102 175.989 176.094 -0.005 0.000 1.031 399 V CA -0.649 61.643 62.300 -0.013 0.000 0.871 399 V CB 2.052 33.843 31.823 -0.053 0.000 0.988 399 V HN 0.578 nan 8.190 nan 0.000 0.432 400 V N 4.103 124.019 119.914 0.003 0.000 2.472 400 V HA 0.631 4.751 4.120 0.000 0.000 0.290 400 V C 0.333 176.427 176.094 -0.001 0.000 1.037 400 V CA -0.256 62.049 62.300 0.008 0.000 0.908 400 V CB 2.194 34.025 31.823 0.013 0.000 0.985 400 V HN 1.051 nan 8.190 nan 0.000 0.454 401 T N 3.819 118.372 114.554 -0.001 0.000 2.840 401 T HA 0.857 5.207 4.350 0.000 0.000 0.287 401 T C -0.769 173.930 174.700 -0.002 0.000 0.991 401 T CA -0.681 61.413 62.100 -0.009 0.000 0.964 401 T CB 1.338 70.195 68.868 -0.018 0.000 0.954 401 T HN 0.808 nan 8.240 nan 0.000 0.438 402 M N 0.231 119.828 119.600 -0.004 0.000 2.895 402 M HA 0.576 5.056 4.480 0.000 0.000 0.271 402 M C -1.407 174.894 176.300 0.002 0.000 1.174 402 M CA -1.081 54.218 55.300 -0.001 0.000 0.816 402 M CB 1.355 33.954 32.600 -0.002 0.000 1.647 402 M HN 0.390 nan 8.290 nan 0.000 0.506 403 E N 0.541 120.745 120.200 0.006 0.000 2.418 403 E HA 0.004 4.354 4.350 0.000 0.000 0.261 403 E C 0.003 176.635 176.600 0.053 0.000 1.070 403 E CA 0.248 56.663 56.400 0.024 0.000 0.931 403 E CB 0.818 30.529 29.700 0.019 0.000 0.954 403 E HN 0.755 nan 8.360 nan 0.000 0.439 404 H N 0.846 119.920 119.070 0.006 0.000 2.357 404 H HA -0.008 4.548 4.556 0.000 0.000 0.301 404 H C -0.009 175.355 175.328 0.060 0.000 1.082 404 H CA 1.375 57.447 56.048 0.040 0.000 1.342 404 H CB 0.521 30.307 29.762 0.040 0.000 1.389 404 H HN 0.194 nan 8.280 nan 0.000 0.511 405 S N -1.562 114.242 115.700 0.173 0.000 2.661 405 S HA 0.709 5.179 4.470 0.000 0.000 0.285 405 S C -0.811 173.827 174.600 0.063 0.000 1.138 405 S CA -0.502 57.773 58.200 0.126 0.000 0.855 405 S CB 1.976 65.286 63.200 0.184 0.000 1.136 405 S HN 0.520 nan 8.310 nan 0.000 0.484 406 A N 1.069 123.910 122.820 0.035 0.000 2.274 406 A HA 0.618 4.938 4.320 0.000 0.000 0.297 406 A C -0.161 177.425 177.584 0.004 0.000 1.191 406 A CA -0.513 51.531 52.037 0.012 0.000 0.889 406 A CB 0.097 19.097 19.000 -0.000 0.000 1.294 406 A HN 0.714 nan 8.150 nan 0.000 0.506 407 K N -0.737 119.660 120.400 -0.004 0.000 2.485 407 K HA 0.310 4.630 4.320 0.000 0.000 0.277 407 K C 1.014 177.603 176.600 -0.018 0.000 0.990 407 K CA 1.271 57.553 56.287 -0.008 0.000 0.994 407 K CB 0.080 32.575 32.500 -0.010 0.000 0.906 407 K HN 1.454 nan 8.250 nan 0.000 0.488 408 G N 2.329 111.120 108.800 -0.017 0.000 2.148 408 G HA2 -0.361 3.599 3.960 0.000 0.000 0.254 408 G HA3 -0.361 3.599 3.960 0.000 0.000 0.254 408 G C 0.316 175.194 174.900 -0.037 0.000 0.981 408 G CA 0.547 45.632 45.100 -0.026 0.000 0.670 408 G HN 0.908 nan 8.290 nan 0.000 0.528 409 N N -2.057 116.630 118.700 -0.022 0.000 2.776 409 N HA -0.042 4.698 4.740 0.000 0.000 0.250 409 N C 0.592 176.040 175.510 -0.102 0.000 1.112 409 N CA 1.962 55.004 53.050 -0.013 0.000 0.733 409 N CB -1.309 37.179 38.487 0.002 0.000 1.097 409 N HN 2.033 nan 8.380 nan 0.000 0.558 410 A N 0.554 123.311 122.820 -0.106 0.000 2.477 410 A HA 0.330 4.650 4.320 0.000 0.000 0.246 410 A C 0.181 177.704 177.584 -0.101 0.000 1.078 410 A CA -0.051 51.878 52.037 -0.180 0.000 0.770 410 A CB 0.148 19.094 19.000 -0.091 0.000 1.011 410 A HN 0.457 nan 8.150 nan 0.000 0.494 411 H N 1.389 120.470 119.070 0.018 0.000 2.707 411 H HA 0.215 4.771 4.556 0.000 0.000 0.359 411 H C 0.462 175.779 175.328 -0.019 0.000 1.113 411 H CA 0.120 56.173 56.048 0.008 0.000 1.422 411 H CB 0.991 30.756 29.762 0.006 0.000 1.443 411 H HN 0.756 nan 8.280 nan 0.000 0.591 412 K N 1.247 121.700 120.400 0.089 0.000 2.474 412 K HA 0.287 4.607 4.320 0.000 0.000 0.204 412 K C 0.200 176.774 176.600 -0.043 0.000 1.220 412 K CA 0.215 56.508 56.287 0.008 0.000 0.966 412 K CB 1.049 33.539 32.500 -0.016 0.000 1.049 412 K HN 0.355 nan 8.250 nan 0.000 0.554 413 I N 3.929 124.441 120.570 -0.096 0.000 2.312 413 I HA 0.268 4.439 4.170 0.000 0.000 0.290 413 I C -0.064 175.965 176.117 -0.147 0.000 1.008 413 I CA -0.430 60.763 61.300 -0.179 0.000 1.226 413 I CB 0.959 38.763 38.000 -0.328 0.000 1.371 413 I HN 0.033 nan 8.210 nan 0.000 0.468 414 M N 3.192 122.721 119.600 -0.118 0.000 2.779 414 M HA 0.550 5.030 4.480 0.000 0.000 0.277 414 M C 0.059 176.291 176.300 -0.113 0.000 1.284 414 M CA -0.836 54.408 55.300 -0.094 0.000 0.801 414 M CB 1.531 34.122 32.600 -0.015 0.000 1.712 414 M HN 0.179 nan 8.290 nan 0.000 0.453 415 E N 1.268 121.417 120.200 -0.086 0.000 2.023 415 E HA 0.029 4.379 4.350 0.000 0.000 0.196 415 E C -0.060 176.519 176.600 -0.035 0.000 1.003 415 E CA 1.480 57.823 56.400 -0.096 0.000 0.809 415 E CB 0.073 29.750 29.700 -0.038 0.000 0.755 415 E HN 0.366 nan 8.360 nan 0.000 0.449 416 K N 0.058 120.472 120.400 0.024 0.000 2.501 416 K HA 0.271 4.591 4.320 0.000 0.000 0.252 416 K C -0.930 175.696 176.600 0.043 0.000 0.934 416 K CA -0.584 55.748 56.287 0.075 0.000 0.797 416 K CB 2.272 34.830 32.500 0.097 0.000 1.270 416 K HN 0.040 nan 8.250 nan 0.000 0.431 417 C N 2.023 121.350 119.300 0.045 0.000 2.642 417 C HA 0.059 4.519 4.460 0.000 0.000 0.420 417 C C 2.076 177.080 174.990 0.023 0.000 1.349 417 C CA 0.005 59.041 59.018 0.029 0.000 1.821 417 C CB -0.428 27.333 27.740 0.035 0.000 2.637 417 C HN 0.843 nan 8.230 nan 0.000 0.605 418 T N 0.353 114.914 114.554 0.012 0.000 3.060 418 T HA 0.215 4.566 4.350 0.000 0.000 0.249 418 T C 0.314 175.007 174.700 -0.011 0.000 1.079 418 T CA 0.286 62.388 62.100 0.004 0.000 1.013 418 T CB -0.059 68.810 68.868 0.002 0.000 0.975 418 T HN 0.544 nan 8.240 nan 0.000 0.518 419 L N 1.388 122.602 121.223 -0.017 0.000 2.375 419 L HA 0.508 4.848 4.340 0.000 0.000 0.268 419 L C -2.415 174.431 176.870 -0.041 0.000 1.058 419 L CA -2.979 51.832 54.840 -0.049 0.000 0.803 419 L CB 0.944 42.966 42.059 -0.061 0.000 1.212 419 L HN -0.145 nan 8.230 nan 0.000 0.451 420 P HA 0.023 nan 4.420 nan 0.000 0.262 420 P C -0.683 176.691 177.300 0.123 0.000 1.182 420 P CA 0.225 63.311 63.100 -0.024 0.000 0.761 420 P CB 0.292 31.863 31.700 -0.216 0.000 0.795 421 L N 2.714 124.068 121.223 0.217 0.000 2.417 421 L HA 0.113 4.453 4.340 0.000 0.000 0.268 421 L C 1.575 178.682 176.870 0.394 0.000 1.158 421 L CA 0.214 55.196 54.840 0.237 0.000 0.819 421 L CB 0.322 42.449 42.059 0.113 0.000 1.112 421 L HN 0.419 nan 8.230 nan 0.000 0.458 422 T N 0.392 115.122 114.554 0.293 0.000 3.039 422 T HA 0.190 4.540 4.350 0.000 0.000 0.250 422 T C 0.490 175.215 174.700 0.042 0.000 1.052 422 T CA 0.555 62.751 62.100 0.159 0.000 1.125 422 T CB 0.504 69.486 68.868 0.191 0.000 0.908 422 T HN 0.805 nan 8.240 nan 0.000 0.473 423 G N 0.575 109.414 108.800 0.066 0.000 2.673 423 G HA2 0.564 4.525 3.960 0.000 0.000 0.292 423 G HA3 0.564 4.525 3.960 0.000 0.000 0.292 423 G C -1.929 172.992 174.900 0.036 0.000 1.450 423 G CA -0.750 44.372 45.100 0.037 0.000 0.837 423 G HN 0.101 nan 8.290 nan 0.000 0.505 424 K N 0.539 120.952 120.400 0.023 0.000 2.206 424 K HA 0.451 4.771 4.320 0.000 0.000 0.264 424 K C 0.244 176.866 176.600 0.038 0.000 0.967 424 K CA -0.392 55.905 56.287 0.016 0.000 0.844 424 K CB 0.735 33.217 32.500 -0.031 0.000 1.099 424 K HN 0.592 nan 8.250 nan 0.000 0.441 425 Q N 1.725 121.554 119.800 0.048 0.000 2.435 425 Q HA -0.261 4.079 4.340 0.000 0.000 0.312 425 Q C 0.353 176.382 176.000 0.049 0.000 1.333 425 Q CA 0.709 56.547 55.803 0.058 0.000 0.883 425 Q CB -2.270 26.490 28.738 0.036 0.000 1.170 425 Q HN 0.823 nan 8.270 nan 0.000 0.443 426 C N -4.866 114.463 119.300 0.049 0.000 3.392 426 C HA 0.471 4.931 4.460 0.000 0.000 0.301 426 C C 0.895 175.910 174.990 0.041 0.000 1.354 426 C CA -0.485 58.559 59.018 0.043 0.000 1.732 426 C CB -0.167 27.599 27.740 0.044 0.000 2.269 426 C HN 0.262 nan 8.230 nan 0.000 0.673 427 V N 3.671 123.610 119.914 0.041 0.000 2.432 427 V HA 0.233 4.353 4.120 0.000 0.000 0.275 427 V C 0.390 176.504 176.094 0.032 0.000 1.043 427 V CA 0.503 62.824 62.300 0.034 0.000 0.925 427 V CB 0.911 32.750 31.823 0.028 0.000 0.985 427 V HN 0.446 nan 8.190 nan 0.000 0.466 428 N N 2.969 121.687 118.700 0.029 0.000 2.402 428 N HA 0.159 4.899 4.740 0.000 0.000 0.174 428 N C 0.600 176.130 175.510 0.033 0.000 1.027 428 N CA 0.181 53.249 53.050 0.030 0.000 0.891 428 N CB 0.395 38.897 38.487 0.025 0.000 1.016 428 N HN 0.630 nan 8.380 nan 0.000 0.439 429 R N 0.379 120.896 120.500 0.029 0.000 2.626 429 R HA 0.470 4.810 4.340 0.000 0.000 0.274 429 R C -1.946 174.379 176.300 0.042 0.000 1.031 429 R CA -0.482 55.642 56.100 0.039 0.000 0.898 429 R CB 1.239 31.548 30.300 0.016 0.000 1.222 429 R HN -0.084 nan 8.270 nan 0.000 0.455 430 I N 5.010 125.631 120.570 0.084 0.000 2.474 430 I HA 0.452 4.622 4.170 0.000 0.000 0.294 430 I C -0.430 175.732 176.117 0.076 0.000 1.005 430 I CA -0.934 60.421 61.300 0.093 0.000 1.113 430 I CB 2.089 40.184 38.000 0.158 0.000 1.289 430 I HN 0.456 nan 8.210 nan 0.000 0.436 431 I N 4.968 125.558 120.570 0.033 0.000 2.468 431 I HA 0.361 4.532 4.170 0.000 0.000 0.285 431 I C 0.044 176.168 176.117 0.011 0.000 1.039 431 I CA -0.255 61.046 61.300 0.002 0.000 1.074 431 I CB 2.160 40.142 38.000 -0.030 0.000 1.228 431 I HN 0.654 nan 8.210 nan 0.000 0.436 432 T N 0.723 115.295 114.554 0.029 0.000 2.883 432 T HA 0.299 4.649 4.350 0.000 0.000 0.284 432 T C 0.830 175.528 174.700 -0.002 0.000 1.041 432 T CA -0.603 61.529 62.100 0.053 0.000 1.007 432 T CB 1.779 70.769 68.868 0.203 0.000 1.220 432 T HN 0.627 nan 8.240 nan 0.000 0.552 433 E N 0.403 120.578 120.200 -0.040 0.000 2.418 433 E HA -0.030 4.320 4.350 0.000 0.000 0.197 433 E C 1.133 177.607 176.600 -0.210 0.000 1.026 433 E CA 0.808 57.096 56.400 -0.186 0.000 0.862 433 E CB -0.080 29.478 29.700 -0.237 0.000 0.799 433 E HN 0.753 nan 8.360 nan 0.000 0.518 434 K N 0.009 120.368 120.400 -0.069 0.000 2.313 434 K HA 0.355 4.675 4.320 0.000 0.000 0.197 434 K C 0.742 177.331 176.600 -0.019 0.000 1.061 434 K CA 0.695 56.946 56.287 -0.060 0.000 0.980 434 K CB 0.951 33.310 32.500 -0.236 0.000 0.888 434 K HN 0.152 nan 8.250 nan 0.000 0.502 435 A N 0.426 123.217 122.820 -0.048 0.000 2.568 435 A HA 0.641 4.961 4.320 0.000 0.000 0.291 435 A C -1.617 175.816 177.584 -0.252 0.000 1.159 435 A CA -0.620 51.282 52.037 -0.225 0.000 0.679 435 A CB 1.627 20.310 19.000 -0.529 0.000 1.285 435 A HN -0.118 nan 8.150 nan 0.000 0.428 436 V N 0.408 120.081 119.914 -0.401 0.000 2.577 436 V HA 0.623 4.743 4.120 0.000 0.000 0.303 436 V C -1.504 174.354 176.094 -0.393 0.000 1.042 436 V CA -0.211 61.934 62.300 -0.258 0.000 0.872 436 V CB 1.196 32.940 31.823 -0.131 0.000 0.998 436 V HN 0.672 nan 8.190 nan 0.000 0.423 437 F N 1.729 121.641 119.950 -0.063 0.000 2.522 437 F HA 0.618 5.145 4.527 0.000 0.000 0.324 437 F C 0.222 175.996 175.800 -0.042 0.000 1.077 437 F CA -0.695 57.262 58.000 -0.072 0.000 0.944 437 F CB 1.761 40.701 39.000 -0.100 0.000 1.175 437 F HN 0.364 nan 8.300 nan 0.000 0.468 438 D N 1.408 121.922 120.400 0.189 0.000 2.185 438 D HA 0.580 5.221 4.640 0.000 0.000 0.247 438 D C -0.718 175.641 176.300 0.098 0.000 1.027 438 D CA -0.077 53.986 54.000 0.104 0.000 0.861 438 D CB 2.389 43.232 40.800 0.072 0.000 1.202 438 D HN 0.108 nan 8.370 nan 0.000 0.453 439 V N 1.326 121.277 119.914 0.062 0.000 2.881 439 V HA 0.481 4.601 4.120 0.000 0.000 0.316 439 V C -0.495 175.625 176.094 0.044 0.000 1.070 439 V CA -0.724 61.600 62.300 0.039 0.000 0.976 439 V CB 2.224 34.061 31.823 0.024 0.000 1.038 439 V HN 0.482 nan 8.190 nan 0.000 0.446 440 D N 0.238 120.666 120.400 0.046 0.000 2.602 440 D HA 0.314 4.954 4.640 0.000 0.000 0.245 440 D C 1.084 177.438 176.300 0.091 0.000 1.325 440 D CA -0.639 53.397 54.000 0.059 0.000 0.952 440 D CB 1.287 42.119 40.800 0.054 0.000 1.317 440 D HN 0.560 nan 8.370 nan 0.000 0.577 441 R N 2.272 122.830 120.500 0.096 0.000 2.388 441 R HA -0.144 4.196 4.340 0.000 0.000 0.233 441 R C 0.384 176.793 176.300 0.181 0.000 1.156 441 R CA 1.141 57.322 56.100 0.135 0.000 1.036 441 R CB 0.043 30.384 30.300 0.069 0.000 0.847 441 R HN 0.295 nan 8.270 nan 0.000 0.483 442 K N 0.855 121.346 120.400 0.151 0.000 2.602 442 K HA 0.077 4.398 4.320 0.000 0.000 0.245 442 K C 1.653 178.346 176.600 0.155 0.000 1.288 442 K CA 0.199 56.577 56.287 0.152 0.000 0.782 442 K CB -0.052 32.495 32.500 0.077 0.000 1.694 442 K HN 0.043 nan 8.250 nan 0.000 0.384 443 K N 0.870 121.324 120.400 0.089 0.000 2.089 443 K HA -0.099 4.221 4.320 0.000 0.000 0.210 443 K C 0.884 177.507 176.600 0.037 0.000 1.048 443 K CA 1.786 58.110 56.287 0.061 0.000 0.926 443 K CB -0.236 32.292 32.500 0.046 0.000 0.714 443 K HN 0.393 nan 8.250 nan 0.000 0.448 444 G N 0.372 109.189 108.800 0.029 0.000 2.315 444 G HA2 0.094 4.054 3.960 0.000 0.000 0.296 444 G HA3 0.094 4.054 3.960 0.000 0.000 0.296 444 G C -1.901 172.989 174.900 -0.017 0.000 1.289 444 G CA -0.534 44.544 45.100 -0.036 0.000 0.996 444 G HN 0.158 nan 8.290 nan 0.000 0.487 445 L N 0.759 121.952 121.223 -0.049 0.000 2.397 445 L HA 0.689 5.029 4.340 0.000 0.000 0.271 445 L C 0.587 177.538 176.870 0.135 0.000 1.148 445 L CA 0.377 55.203 54.840 -0.024 0.000 0.825 445 L CB 1.356 43.295 42.059 -0.201 0.000 1.117 445 L HN 0.671 nan 8.230 nan 0.000 0.456 446 T N 5.146 119.827 114.554 0.212 0.000 2.890 446 T HA 0.340 4.690 4.350 0.000 0.000 0.295 446 T C -0.831 174.068 174.700 0.331 0.000 0.993 446 T CA -0.422 61.835 62.100 0.261 0.000 0.979 446 T CB 0.968 69.926 68.868 0.150 0.000 0.967 446 T HN 0.392 nan 8.240 nan 0.000 0.441 447 L N 6.158 127.576 121.223 0.325 0.000 2.418 447 L HA 0.445 4.786 4.340 0.000 0.000 0.274 447 L C 0.814 177.660 176.870 -0.041 0.000 1.135 447 L CA 0.309 55.123 54.840 -0.044 0.000 0.870 447 L CB -0.103 41.874 42.059 -0.136 0.000 1.154 447 L HN 0.783 nan 8.230 nan 0.000 0.462 448 I N -0.064 120.432 120.570 -0.123 0.000 4.323 448 I HA 0.455 4.625 4.170 0.000 0.000 0.328 448 I C -0.012 176.049 176.117 -0.093 0.000 1.310 448 I CA -0.179 61.082 61.300 -0.064 0.000 1.186 448 I CB 0.302 38.284 38.000 -0.029 0.000 1.130 448 I HN 0.486 nan 8.210 nan 0.000 0.411 449 E N 1.868 121.970 120.200 -0.163 0.000 2.331 449 E HA 0.618 4.969 4.350 0.000 0.000 0.275 449 E C -1.885 174.612 176.600 -0.171 0.000 0.895 449 E CA -0.792 55.528 56.400 -0.132 0.000 0.753 449 E CB 3.479 33.122 29.700 -0.096 0.000 1.216 449 E HN 0.117 nan 8.360 nan 0.000 0.434 450 L N 2.544 123.703 121.223 -0.108 0.000 2.438 450 L HA 0.401 4.741 4.340 0.000 0.000 0.270 450 L C -1.157 175.702 176.870 -0.019 0.000 0.972 450 L CA -0.418 54.374 54.840 -0.080 0.000 0.831 450 L CB 1.381 43.391 42.059 -0.081 0.000 1.273 450 L HN 0.679 nan 8.230 nan 0.000 0.405 451 W N 5.661 126.890 121.300 -0.118 0.000 2.257 451 W HA 0.106 4.767 4.660 0.001 0.000 0.337 451 W C 0.278 176.757 176.519 -0.067 0.000 1.321 451 W CA 0.123 57.416 57.345 -0.087 0.000 1.267 451 W CB 0.711 30.120 29.460 -0.085 0.000 1.187 451 W HN 0.866 nan 8.180 nan 0.000 0.565 452 E N 3.489 123.036 120.200 -1.089 0.000 2.481 452 E HA 0.221 4.572 4.350 0.000 0.000 0.263 452 E C 0.986 177.346 176.600 -0.400 0.000 0.992 452 E CA 0.688 56.669 56.400 -0.699 0.000 0.938 452 E CB 0.432 29.672 29.700 -0.766 0.000 0.933 452 E HN 0.750 nan 8.360 nan 0.000 0.453 453 G N 2.726 111.414 108.800 -0.186 0.000 2.234 453 G HA2 -0.287 3.673 3.960 0.000 0.000 0.260 453 G HA3 -0.287 3.673 3.960 0.000 0.000 0.260 453 G C 0.148 175.048 174.900 -0.000 0.000 0.987 453 G CA 0.327 45.391 45.100 -0.060 0.000 0.625 453 G HN 0.457 nan 8.290 nan 0.000 0.532 454 L N 1.610 122.838 121.223 0.008 0.000 2.343 454 L HA 0.666 5.006 4.340 0.000 0.000 0.275 454 L C 1.107 177.983 176.870 0.011 0.000 1.056 454 L CA -0.208 54.655 54.840 0.039 0.000 0.804 454 L CB 1.720 43.830 42.059 0.085 0.000 1.203 454 L HN 0.369 nan 8.230 nan 0.000 0.440 455 T N -1.848 112.719 114.554 0.022 0.000 2.945 455 T HA 0.304 4.654 4.350 0.000 0.000 0.286 455 T C 1.026 175.758 174.700 0.053 0.000 1.025 455 T CA -0.849 61.267 62.100 0.027 0.000 1.039 455 T CB 1.813 70.698 68.868 0.028 0.000 1.068 455 T HN 0.200 nan 8.240 nan 0.000 0.497 456 V N 1.017 120.977 119.914 0.078 0.000 2.568 456 V HA -0.128 3.992 4.120 0.000 0.000 0.253 456 V C 2.387 178.590 176.094 0.183 0.000 1.072 456 V CA 2.292 64.689 62.300 0.162 0.000 1.084 456 V CB -1.012 30.914 31.823 0.172 0.000 0.676 456 V HN 1.054 nan 8.190 nan 0.000 0.469 457 D N -0.144 120.318 120.400 0.103 0.000 2.183 457 D HA -0.156 4.485 4.640 0.000 0.000 0.203 457 D C 1.795 178.147 176.300 0.087 0.000 0.969 457 D CA 1.007 55.058 54.000 0.084 0.000 0.842 457 D CB -0.029 40.800 40.800 0.049 0.000 0.957 457 D HN 0.414 nan 8.370 nan 0.000 0.484 458 D N -0.107 120.334 120.400 0.069 0.000 2.149 458 D HA -0.097 4.543 4.640 0.000 0.000 0.201 458 D C 2.023 178.348 176.300 0.042 0.000 0.972 458 D CA 0.436 54.463 54.000 0.044 0.000 0.835 458 D CB 0.138 40.950 40.800 0.021 0.000 0.966 458 D HN 0.305 nan 8.370 nan 0.000 0.476 459 I N 1.370 121.984 120.570 0.073 0.000 2.286 459 I HA -0.161 4.009 4.170 0.000 0.000 0.245 459 I C 2.206 178.499 176.117 0.293 0.000 1.104 459 I CA 0.883 62.236 61.300 0.088 0.000 1.397 459 I CB -0.750 37.291 38.000 0.069 0.000 1.072 459 I HN -0.037 nan 8.210 nan 0.000 0.417 460 K N 1.372 121.987 120.400 0.358 0.000 2.044 460 K HA -0.218 4.102 4.320 0.000 0.000 0.210 460 K C 1.922 178.627 176.600 0.176 0.000 1.049 460 K CA 1.848 58.312 56.287 0.295 0.000 0.927 460 K CB -0.242 32.332 32.500 0.123 0.000 0.713 460 K HN 0.413 nan 8.250 nan 0.000 0.443 461 K N -0.048 120.437 120.400 0.141 0.000 2.504 461 K HA 0.037 4.357 4.320 0.000 0.000 0.195 461 K C 0.803 177.524 176.600 0.202 0.000 1.036 461 K CA 1.152 57.521 56.287 0.137 0.000 0.984 461 K CB 0.367 32.928 32.500 0.102 0.000 0.788 461 K HN -0.156 nan 8.250 nan 0.000 0.488 462 S N 0.364 116.186 115.700 0.204 0.000 2.650 462 S HA 0.130 4.600 4.470 0.000 0.000 0.240 462 S C -0.661 174.152 174.600 0.354 0.000 1.007 462 S CA -0.509 57.873 58.200 0.303 0.000 0.984 462 S CB 1.091 64.396 63.200 0.175 0.000 0.910 462 S HN 0.258 nan 8.310 nan 0.000 0.509 463 T N 0.467 115.077 114.554 0.094 0.000 2.841 463 T HA 0.459 4.809 4.350 0.000 0.000 0.283 463 T C 1.011 175.371 174.700 -0.568 0.000 1.000 463 T CA -0.622 61.428 62.100 -0.083 0.000 0.977 463 T CB 1.738 70.721 68.868 0.191 0.000 0.979 463 T HN 0.157 nan 8.240 nan 0.000 0.446 464 G N 0.622 109.027 108.800 -0.659 0.000 3.088 464 G HA2 0.324 4.284 3.960 0.000 0.000 0.212 464 G HA3 0.324 4.284 3.960 0.000 0.000 0.212 464 G C 0.570 175.344 174.900 -0.211 0.000 1.173 464 G CA 0.013 44.785 45.100 -0.546 0.000 0.779 464 G HN 0.981 nan 8.290 nan 0.000 0.540 465 C N -2.200 117.002 119.300 -0.164 0.000 3.323 465 C HA 0.674 5.134 4.460 0.000 0.000 0.324 465 C C -0.894 174.065 174.990 -0.052 0.000 1.428 465 C CA -1.520 57.431 59.018 -0.111 0.000 1.368 465 C CB 1.593 29.242 27.740 -0.152 0.000 1.731 465 C HN 0.074 nan 8.230 nan 0.000 0.455 466 D N 0.414 120.761 120.400 -0.087 0.000 2.348 466 D HA 0.743 5.383 4.640 0.000 0.000 0.249 466 D C -0.709 175.559 176.300 -0.053 0.000 1.110 466 D CA 0.383 54.293 54.000 -0.150 0.000 0.967 466 D CB 1.448 42.142 40.800 -0.177 0.000 1.139 466 D HN 0.685 nan 8.370 nan 0.000 0.466 467 F N -1.499 118.426 119.950 -0.043 0.000 2.631 467 F HA 0.682 5.209 4.527 0.000 0.000 0.308 467 F C -0.791 175.031 175.800 0.037 0.000 1.097 467 F CA -1.459 56.532 58.000 -0.015 0.000 0.952 467 F CB 0.727 39.753 39.000 0.042 0.000 1.307 467 F HN 0.264 nan 8.300 nan 0.000 0.450 468 A N 1.404 124.366 122.820 0.238 0.000 2.322 468 A HA 0.733 5.054 4.320 0.000 0.000 0.269 468 A C -0.894 176.877 177.584 0.312 0.000 1.094 468 A CA -0.684 51.449 52.037 0.160 0.000 0.807 468 A CB 0.881 19.945 19.000 0.108 0.000 1.047 468 A HN 0.806 nan 8.150 nan 0.000 0.487 469 V N 1.710 121.749 119.914 0.208 0.000 2.417 469 V HA 0.370 4.490 4.120 0.000 0.000 0.291 469 V C 0.767 176.933 176.094 0.120 0.000 1.024 469 V CA -0.496 61.935 62.300 0.218 0.000 0.861 469 V CB 1.343 33.277 31.823 0.186 0.000 0.985 469 V HN 0.983 nan 8.190 nan 0.000 0.436 470 S N 6.557 122.317 115.700 0.099 0.000 2.560 470 S HA 0.181 4.651 4.470 0.000 0.000 0.284 470 S C -0.842 173.783 174.600 0.041 0.000 1.327 470 S CA -0.728 57.507 58.200 0.059 0.000 1.055 470 S CB 0.855 64.079 63.200 0.040 0.000 0.868 470 S HN 0.734 nan 8.310 nan 0.000 0.506 471 P HA 0.073 nan 4.420 nan 0.000 0.242 471 P C -0.089 177.218 177.300 0.012 0.000 1.197 471 P CA 0.629 63.741 63.100 0.020 0.000 0.765 471 P CB 0.074 31.785 31.700 0.018 0.000 0.936 472 K N 0.147 120.553 120.400 0.011 0.000 2.699 472 K HA 0.186 4.506 4.320 0.000 0.000 0.210 472 K C 0.177 176.774 176.600 -0.006 0.000 1.076 472 K CA -0.790 55.498 56.287 0.001 0.000 1.109 472 K CB 0.054 32.555 32.500 0.002 0.000 0.862 472 K HN 0.033 nan 8.250 nan 0.000 0.470 473 L N 2.879 124.099 121.223 -0.004 0.000 2.615 473 L HA 0.105 4.446 4.340 0.000 0.000 0.271 473 L C -0.161 176.690 176.870 -0.032 0.000 1.183 473 L CA 0.382 55.212 54.840 -0.017 0.000 0.933 473 L CB -0.100 41.956 42.059 -0.005 0.000 1.199 473 L HN 0.193 nan 8.230 nan 0.000 0.487 474 I N 3.242 123.785 120.570 -0.045 0.000 2.910 474 I HA 0.710 4.880 4.170 0.000 0.000 0.310 474 I C -2.447 173.624 176.117 -0.076 0.000 1.043 474 I CA -2.806 58.462 61.300 -0.055 0.000 1.053 474 I CB 1.538 39.510 38.000 -0.047 0.000 1.242 474 I HN 0.389 nan 8.210 nan 0.000 0.452 475 P HA 0.098 nan 4.420 nan 0.000 0.269 475 P C -0.445 176.785 177.300 -0.117 0.000 1.209 475 P CA -0.208 62.804 63.100 -0.146 0.000 0.776 475 P CB 0.471 32.058 31.700 -0.187 0.000 0.876 476 M N 2.823 122.362 119.600 -0.103 0.000 2.252 476 M HA -0.028 4.453 4.480 0.000 0.000 0.348 476 M C 0.135 176.437 176.300 0.003 0.000 1.334 476 M CA 0.607 55.910 55.300 0.005 0.000 1.071 476 M CB 0.101 32.822 32.600 0.202 0.000 1.763 476 M HN 0.356 nan 8.290 nan 0.000 0.452 477 Q N 3.221 123.030 119.800 0.016 0.000 2.368 477 Q HA 0.267 4.607 4.340 0.000 0.000 0.237 477 Q C -0.968 175.070 176.000 0.063 0.000 0.987 477 Q CA -0.408 55.405 55.803 0.017 0.000 0.896 477 Q CB 0.975 29.715 28.738 0.003 0.000 1.241 477 Q HN 0.549 nan 8.270 nan 0.000 0.485 478 Q N 0.804 120.637 119.800 0.055 0.000 2.289 478 Q HA 0.261 4.601 4.340 0.000 0.000 0.270 478 Q C -1.191 174.835 176.000 0.043 0.000 1.038 478 Q CA -0.573 55.269 55.803 0.065 0.000 0.812 478 Q CB 2.475 31.282 28.738 0.114 0.000 1.300 478 Q HN 0.550 nan 8.270 nan 0.000 0.427 479 V N 2.775 122.707 119.914 0.029 0.000 2.617 479 V HA -0.010 4.110 4.120 0.000 0.000 0.304 479 V C 0.839 176.986 176.094 0.088 0.000 1.040 479 V CA 1.003 63.344 62.300 0.068 0.000 1.149 479 V CB 0.922 32.806 31.823 0.103 0.000 0.914 479 V HN 0.911 nan 8.190 nan 0.000 0.487 480 T N 0.000 114.604 114.554 0.084 0.000 3.816 480 T HA 0.000 4.350 4.350 0.000 0.000 0.228 480 T CA 0.000 62.146 62.100 0.077 0.000 1.349 480 T CB 0.000 68.902 68.868 0.057 0.000 0.612 480 T HN 0.000 nan 8.240 nan 0.000 0.658