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 1o9l_1_A DATA FIRST_RESID 40 DATA SEQUENCE TKFYTDAVEA VKDIPNGATV LVGGFGLCGI PENLIGALLK TGVKELTAVS DATA SEQUENCE NNAGVDNFGL GLLLQSKQIK RMISSYVGEN AEFERQYLAG ELEVELTPQG DATA SEQUENCE TLAERIRAGG AGVPAFYTST GYGTLVQEGG SPIKYNKDGS IAIASKPREV DATA SEQUENCE REFNGQHFIL EEAIRGDFAL VKAWKADQAG NVTFRKSARN FNLPMCKAAE DATA SEQUENCE TTVVEVEEIV DIGSFAPEDI HIPKIYVHRL VKGEKYEKRI ERLSVRKXXX DATA SEQUENCE XXXXXXXXXX NVRERIIKRA ALEFEDGMYA NLGIGIPLLA SNFISPNMTV DATA SEQUENCE HLQSENGILG LGPYPLQNEV DADLINAGKE TVTVLPGASY FSSDESFAMI DATA SEQUENCE RGGHVNLTML GAMQVSKYGD LANWMIPGKL VKGMGGAMDL VSSAKTKVVV DATA SEQUENCE TMEHSAKGNA HKIMEKCTLP LTGKQCVNRI ITEKAVFDVD RKKGLTLIEL DATA SEQUENCE WEGLTVDDIK KSTGCDFAVS PKLIPMQQVT T 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 40 T HA 0.000 nan 4.350 nan 0.000 0.228 40 T C 0.000 174.763 174.700 0.105 0.000 1.109 40 T CA 0.000 62.141 62.100 0.069 0.000 1.349 40 T CB 0.000 68.828 68.868 -0.066 0.000 0.612 41 K N 3.370 123.831 120.400 0.102 0.000 2.235 41 K HA 0.645 4.969 4.320 0.008 0.000 0.266 41 K C -1.057 175.631 176.600 0.147 0.000 0.980 41 K CA -0.779 55.608 56.287 0.167 0.000 0.849 41 K CB 0.532 33.110 32.500 0.130 0.000 1.098 41 K HN 0.437 nan 8.250 nan 0.000 0.445 42 F N 3.513 123.489 119.950 0.042 0.000 2.396 42 F HA 0.315 4.846 4.527 0.008 0.000 0.343 42 F C -0.306 175.492 175.800 -0.002 0.000 1.104 42 F CA -0.233 57.828 58.000 0.102 0.000 1.161 42 F CB 0.565 39.595 39.000 0.049 0.000 1.146 42 F HN 0.378 nan 8.300 nan 0.000 0.522 43 Y N -0.268 120.141 120.300 0.182 0.000 2.446 43 Y HA 0.314 4.868 4.550 0.008 0.000 0.345 43 Y C 1.139 177.109 175.900 0.116 0.000 0.984 43 Y CA -1.036 57.138 58.100 0.123 0.000 1.058 43 Y CB 1.975 40.483 38.460 0.081 0.000 1.220 43 Y HN 0.634 nan 8.280 nan 0.000 0.455 44 T N -3.363 111.321 114.554 0.218 0.000 3.051 44 T HA 0.072 4.426 4.350 0.008 0.000 0.255 44 T C -0.026 174.756 174.700 0.135 0.000 1.085 44 T CA 0.397 62.586 62.100 0.148 0.000 1.109 44 T CB 0.078 69.001 68.868 0.092 0.000 0.921 44 T HN 0.442 nan 8.240 nan 0.000 0.488 45 D N 0.426 120.925 120.400 0.166 0.000 2.408 45 D HA 0.683 5.327 4.640 0.008 0.000 0.243 45 D C 1.071 177.434 176.300 0.106 0.000 1.075 45 D CA -0.335 53.736 54.000 0.118 0.000 0.832 45 D CB 1.661 42.523 40.800 0.103 0.000 1.162 45 D HN 0.071 nan 8.370 nan 0.000 0.515 46 A N 3.311 126.160 122.820 0.048 0.000 1.908 46 A HA -0.134 4.191 4.320 0.008 0.000 0.218 46 A C 2.148 179.712 177.584 -0.033 0.000 1.181 46 A CA 1.688 53.724 52.037 -0.002 0.000 0.627 46 A CB -0.766 18.226 19.000 -0.013 0.000 0.818 46 A HN 0.573 nan 8.150 nan 0.000 0.445 47 V N -0.022 119.884 119.914 -0.012 0.000 2.490 47 V HA -0.181 3.944 4.120 0.008 0.000 0.250 47 V C 2.157 178.241 176.094 -0.018 0.000 1.061 47 V CA 2.626 64.912 62.300 -0.024 0.000 1.064 47 V CB -0.606 31.211 31.823 -0.011 0.000 0.670 47 V HN 0.552 nan 8.190 nan 0.000 0.461 48 E N 0.503 120.723 120.200 0.034 0.000 2.204 48 E HA -0.048 4.306 4.350 0.008 0.000 0.194 48 E C 2.204 178.805 176.600 0.001 0.000 0.989 48 E CA 1.332 57.789 56.400 0.095 0.000 0.824 48 E CB -0.456 29.383 29.700 0.231 0.000 0.756 48 E HN 0.734 nan 8.360 nan 0.000 0.477 49 A N 0.734 123.412 122.820 -0.236 0.000 2.067 49 A HA -0.057 4.268 4.320 0.008 0.000 0.217 49 A C 2.106 179.503 177.584 -0.311 0.000 1.156 49 A CA 1.271 52.903 52.037 -0.674 0.000 0.683 49 A CB 0.007 18.584 19.000 -0.706 0.000 0.808 49 A HN 0.167 nan 8.150 nan 0.000 0.455 50 V N -3.806 115.996 119.914 -0.188 0.000 3.380 50 V HA 0.275 4.400 4.120 0.008 0.000 0.307 50 V C 1.484 177.464 176.094 -0.191 0.000 1.434 50 V CA 0.664 62.847 62.300 -0.196 0.000 1.075 50 V CB -0.320 31.394 31.823 -0.182 0.000 0.954 50 V HN 0.390 nan 8.190 nan 0.000 0.444 51 K N 2.388 122.724 120.400 -0.106 0.000 2.160 51 K HA -0.218 4.106 4.320 0.008 0.000 0.206 51 K C 1.526 178.081 176.600 -0.075 0.000 1.047 51 K CA 2.199 58.446 56.287 -0.067 0.000 0.930 51 K CB -0.061 32.435 32.500 -0.006 0.000 0.720 51 K HN 0.793 nan 8.250 nan 0.000 0.450 52 D N 0.152 120.513 120.400 -0.066 0.000 2.328 52 D HA -0.031 4.614 4.640 0.008 0.000 0.226 52 D C 0.403 176.628 176.300 -0.124 0.000 1.066 52 D CA -0.037 53.949 54.000 -0.023 0.000 0.861 52 D CB -0.330 40.535 40.800 0.108 0.000 0.912 52 D HN 0.199 nan 8.370 nan 0.000 0.521 53 I N 1.928 122.251 120.570 -0.413 0.000 2.581 53 I HA 0.095 4.269 4.170 0.008 0.000 0.285 53 I C -1.985 174.000 176.117 -0.219 0.000 1.129 53 I CA -1.513 59.411 61.300 -0.627 0.000 1.397 53 I CB 0.329 37.864 38.000 -0.775 0.000 1.399 53 I HN -0.249 nan 8.210 nan 0.000 0.537 54 P HA 0.133 nan 4.420 nan 0.000 0.274 54 P C -0.742 176.547 177.300 -0.019 0.000 1.231 54 P CA -0.539 62.556 63.100 -0.009 0.000 0.790 54 P CB 0.451 32.183 31.700 0.054 0.000 0.951 55 N N 0.939 119.632 118.700 -0.012 0.000 2.479 55 N HA 0.195 4.940 4.740 0.008 0.000 0.257 55 N C 1.528 177.041 175.510 0.006 0.000 1.232 55 N CA 1.394 54.438 53.050 -0.011 0.000 0.920 55 N CB 0.105 38.587 38.487 -0.008 0.000 1.105 55 N HN 0.778 nan 8.380 nan 0.000 0.444 56 G N -0.436 108.368 108.800 0.007 0.000 2.205 56 G HA2 -0.275 3.690 3.960 0.008 0.000 0.261 56 G HA3 -0.275 3.690 3.960 0.008 0.000 0.261 56 G C 0.322 175.241 174.900 0.033 0.000 0.980 56 G CA 0.389 45.500 45.100 0.018 0.000 0.632 56 G HN 0.927 nan 8.290 nan 0.000 0.533 57 A N 0.279 123.123 122.820 0.041 0.000 2.425 57 A HA 0.648 4.972 4.320 0.008 0.000 0.242 57 A C 0.932 178.560 177.584 0.074 0.000 1.077 57 A CA 1.359 53.445 52.037 0.082 0.000 0.781 57 A CB 0.300 19.375 19.000 0.125 0.000 1.020 57 A HN 1.866 nan 8.150 nan 0.000 0.494 58 T N -0.169 114.440 114.554 0.092 0.000 2.799 58 T HA 0.562 4.917 4.350 0.008 0.000 0.286 58 T C -0.582 174.181 174.700 0.105 0.000 0.973 58 T CA -0.562 61.582 62.100 0.073 0.000 1.035 58 T CB 0.523 69.425 68.868 0.056 0.000 0.932 58 T HN 0.631 nan 8.240 nan 0.000 0.469 59 V N 5.613 125.575 119.914 0.080 0.000 2.540 59 V HA 0.432 4.556 4.120 0.008 0.000 0.302 59 V C 0.000 176.130 176.094 0.060 0.000 1.035 59 V CA -1.023 61.334 62.300 0.096 0.000 0.873 59 V CB 1.670 33.530 31.823 0.062 0.000 0.992 59 V HN 0.884 nan 8.190 nan 0.000 0.428 60 L N 4.980 126.246 121.223 0.071 0.000 2.292 60 L HA 0.624 4.969 4.340 0.008 0.000 0.284 60 L C -0.608 176.286 176.870 0.041 0.000 1.065 60 L CA -0.603 54.265 54.840 0.045 0.000 0.806 60 L CB 1.388 43.479 42.059 0.053 0.000 1.175 60 L HN 0.352 nan 8.230 nan 0.000 0.431 61 V N 2.225 122.147 119.914 0.013 0.000 2.407 61 V HA 0.471 4.595 4.120 0.008 0.000 0.291 61 V C 0.746 176.848 176.094 0.014 0.000 1.018 61 V CA -0.627 61.679 62.300 0.010 0.000 0.842 61 V CB 1.355 33.167 31.823 -0.018 0.000 0.996 61 V HN 0.901 nan 8.190 nan 0.000 0.426 62 G N 2.481 111.315 108.800 0.056 0.000 2.651 62 G HA2 0.613 4.577 3.960 0.008 0.000 0.260 62 G HA3 0.613 4.577 3.960 0.008 0.000 0.260 62 G C 0.272 175.222 174.900 0.084 0.000 1.216 62 G CA 0.343 45.500 45.100 0.095 0.000 0.913 62 G HN 1.682 nan 8.290 nan 0.000 0.535 63 G N -1.942 106.944 108.800 0.144 0.000 2.465 63 G HA2 0.400 4.364 3.960 0.008 0.000 0.681 63 G HA3 0.400 4.364 3.960 0.008 0.000 0.681 63 G C -1.264 173.769 174.900 0.222 0.000 1.340 63 G CA -0.411 44.779 45.100 0.151 0.000 0.884 63 G HN 1.402 nan 8.290 nan 0.000 0.650 64 F N 2.497 122.500 119.950 0.088 0.000 2.553 64 F HA 0.612 5.144 4.527 0.007 0.000 0.335 64 F C 0.974 176.819 175.800 0.074 0.000 1.148 64 F CA 1.314 59.376 58.000 0.104 0.000 0.963 64 F CB 1.157 40.244 39.000 0.145 0.000 1.217 64 F HN 2.278 nan 8.300 nan 0.000 0.441 65 G N 4.909 113.469 108.800 -0.400 0.000 2.565 65 G HA2 -0.315 3.650 3.960 0.008 0.000 0.295 65 G HA3 -0.315 3.650 3.960 0.008 0.000 0.295 65 G C 0.291 175.174 174.900 -0.028 0.000 1.165 65 G CA 0.313 45.274 45.100 -0.232 0.000 0.977 65 G HN 0.780 nan 8.290 nan 0.000 0.546 66 L N 0.370 121.626 121.223 0.054 0.000 2.857 66 L HA 0.340 4.684 4.340 0.008 0.000 0.249 66 L C 1.060 178.015 176.870 0.142 0.000 1.172 66 L CA -0.301 54.616 54.840 0.129 0.000 0.980 66 L CB 0.759 42.915 42.059 0.161 0.000 1.299 66 L HN 0.541 nan 8.230 nan 0.000 0.535 67 C N 1.400 120.784 119.300 0.141 0.000 2.303 67 C HA 0.583 5.048 4.460 0.008 0.000 0.341 67 C C 1.581 176.651 174.990 0.134 0.000 1.244 67 C CA 0.321 59.421 59.018 0.136 0.000 1.765 67 C CB -0.833 27.006 27.740 0.166 0.000 2.379 67 C HN 0.846 nan 8.230 nan 0.000 0.530 68 G N 5.846 114.707 108.800 0.102 0.000 2.182 68 G HA2 -0.201 3.764 3.960 0.008 0.000 0.248 68 G HA3 -0.201 3.764 3.960 0.008 0.000 0.248 68 G C -0.102 174.874 174.900 0.126 0.000 1.042 68 G CA 0.420 45.585 45.100 0.108 0.000 0.775 68 G HN 1.399 nan 8.290 nan 0.000 0.501 69 I N -1.775 118.870 120.570 0.125 0.000 2.440 69 I HA 0.611 4.786 4.170 0.008 0.000 0.294 69 I C -1.830 174.354 176.117 0.111 0.000 0.995 69 I CA -3.030 58.326 61.300 0.093 0.000 1.306 69 I CB 1.609 39.638 38.000 0.049 0.000 1.407 69 I HN -0.076 nan 8.210 nan 0.000 0.501 70 P HA 0.151 nan 4.420 nan 0.000 0.237 70 P C 0.145 177.470 177.300 0.041 0.000 1.788 70 P CA -0.023 63.140 63.100 0.105 0.000 1.061 70 P CB 0.443 32.190 31.700 0.079 0.000 1.967 71 E N 1.666 121.903 120.200 0.062 0.000 2.086 71 E HA -0.271 4.084 4.350 0.008 0.000 0.205 71 E C 1.341 177.894 176.600 -0.079 0.000 1.027 71 E CA 1.947 58.313 56.400 -0.056 0.000 0.830 71 E CB -0.358 29.382 29.700 0.067 0.000 0.751 71 E HN 0.475 nan 8.360 nan 0.000 0.456 72 N N 0.250 118.914 118.700 -0.060 0.000 2.188 72 N HA -0.102 4.643 4.740 0.008 0.000 0.184 72 N C 1.771 177.250 175.510 -0.052 0.000 1.018 72 N CA 0.777 53.776 53.050 -0.085 0.000 0.858 72 N CB -0.046 38.368 38.487 -0.122 0.000 0.989 72 N HN 0.088 nan 8.380 nan 0.000 0.426 73 L N 0.116 121.323 121.223 -0.026 0.000 2.109 73 L HA 0.005 4.349 4.340 0.008 0.000 0.207 73 L C 1.872 178.708 176.870 -0.057 0.000 1.086 73 L CA 0.732 55.551 54.840 -0.034 0.000 0.760 73 L CB -0.287 41.766 42.059 -0.010 0.000 0.910 73 L HN 0.191 nan 8.230 nan 0.000 0.437 74 I N -0.039 120.489 120.570 -0.070 0.000 2.252 74 I HA -0.177 3.997 4.170 0.008 0.000 0.245 74 I C 2.609 178.672 176.117 -0.091 0.000 1.102 74 I CA 1.367 62.611 61.300 -0.093 0.000 1.385 74 I CB -0.739 37.178 38.000 -0.139 0.000 1.064 74 I HN 0.256 nan 8.210 nan 0.000 0.414 75 G N 0.504 109.249 108.800 -0.092 0.000 2.432 75 G HA2 -0.234 3.731 3.960 0.008 0.000 0.219 75 G HA3 -0.234 3.731 3.960 0.008 0.000 0.219 75 G C 1.830 176.696 174.900 -0.056 0.000 1.135 75 G CA 0.825 45.883 45.100 -0.071 0.000 0.767 75 G HN 0.492 nan 8.290 nan 0.000 0.550 76 A N 0.483 123.268 122.820 -0.058 0.000 1.930 76 A HA 0.179 4.504 4.320 0.008 0.000 0.217 76 A C 2.378 179.924 177.584 -0.062 0.000 1.175 76 A CA 0.924 52.928 52.037 -0.055 0.000 0.627 76 A CB -0.297 18.668 19.000 -0.058 0.000 0.815 76 A HN 0.346 nan 8.150 nan 0.000 0.443 77 L N -0.609 120.571 121.223 -0.071 0.000 2.141 77 L HA -0.147 4.198 4.340 0.008 0.000 0.209 77 L C 2.435 179.270 176.870 -0.059 0.000 1.094 77 L CA 0.849 55.644 54.840 -0.075 0.000 0.763 77 L CB -0.546 41.466 42.059 -0.079 0.000 0.908 77 L HN 0.390 nan 8.230 nan 0.000 0.437 78 L N -0.472 120.720 121.223 -0.052 0.000 2.131 78 L HA -0.201 4.144 4.340 0.008 0.000 0.210 78 L C 2.730 179.581 176.870 -0.033 0.000 1.092 78 L CA 1.025 55.842 54.840 -0.040 0.000 0.759 78 L CB -0.453 41.584 42.059 -0.036 0.000 0.903 78 L HN 0.234 nan 8.230 nan 0.000 0.435 79 K N -0.224 120.155 120.400 -0.035 0.000 2.025 79 K HA -0.108 4.216 4.320 0.008 0.000 0.207 79 K C 2.196 178.778 176.600 -0.029 0.000 1.049 79 K CA 1.982 58.252 56.287 -0.027 0.000 0.933 79 K CB -0.911 31.573 32.500 -0.025 0.000 0.714 79 K HN 0.433 nan 8.250 nan 0.000 0.438 80 T N -2.048 112.482 114.554 -0.040 0.000 2.951 80 T HA 0.017 4.372 4.350 0.008 0.000 0.268 80 T C 1.525 176.201 174.700 -0.040 0.000 1.073 80 T CA 1.270 63.344 62.100 -0.043 0.000 1.134 80 T CB -0.342 68.488 68.868 -0.063 0.000 0.884 80 T HN 0.391 nan 8.240 nan 0.000 0.479 81 G N 1.373 110.149 108.800 -0.040 0.000 2.153 81 G HA2 -0.241 3.723 3.960 0.008 0.000 0.252 81 G HA3 -0.241 3.723 3.960 0.008 0.000 0.252 81 G C 0.218 175.095 174.900 -0.038 0.000 0.994 81 G CA 0.221 45.300 45.100 -0.034 0.000 0.698 81 G HN 1.584 nan 8.290 nan 0.000 0.521 82 V N -1.670 118.213 119.914 -0.053 0.000 2.814 82 V HA 0.545 4.669 4.120 0.008 0.000 0.307 82 V C 0.534 176.603 176.094 -0.042 0.000 1.089 82 V CA 0.682 62.949 62.300 -0.056 0.000 1.212 82 V CB 0.898 32.669 31.823 -0.088 0.000 0.912 82 V HN 0.946 nan 8.190 nan 0.000 0.497 83 K N 1.300 121.682 120.400 -0.031 0.000 2.263 83 K HA 0.628 4.953 4.320 0.008 0.000 0.249 83 K C -0.268 176.325 176.600 -0.013 0.000 1.076 83 K CA -0.735 55.540 56.287 -0.020 0.000 0.884 83 K CB 1.174 33.664 32.500 -0.015 0.000 1.394 83 K HN 0.436 nan 8.250 nan 0.000 0.476 84 E N 0.073 120.269 120.200 -0.006 0.000 2.791 84 E HA -0.180 4.175 4.350 0.008 0.000 0.271 84 E C -0.605 175.997 176.600 0.004 0.000 1.044 84 E CA 0.700 57.100 56.400 0.001 0.000 0.814 84 E CB -1.852 27.849 29.700 0.002 0.000 1.400 84 E HN 0.506 nan 8.360 nan 0.000 0.423 85 L N 0.416 121.639 121.223 0.000 0.000 2.397 85 L HA 0.183 4.527 4.340 0.008 0.000 0.271 85 L C 0.977 177.855 176.870 0.013 0.000 1.148 85 L CA 0.298 55.140 54.840 0.004 0.000 0.825 85 L CB 0.696 42.751 42.059 -0.008 0.000 1.117 85 L HN -0.160 nan 8.230 nan 0.000 0.456 86 T N 2.704 117.271 114.554 0.020 0.000 2.853 86 T HA 0.471 4.826 4.350 0.008 0.000 0.317 86 T C 0.069 174.780 174.700 0.020 0.000 1.059 86 T CA -0.440 61.673 62.100 0.022 0.000 0.954 86 T CB 0.916 69.799 68.868 0.026 0.000 0.994 86 T HN 0.647 nan 8.240 nan 0.000 0.479 87 A N 3.678 126.505 122.820 0.011 0.000 2.260 87 A HA 0.615 4.940 4.320 0.008 0.000 0.308 87 A C 0.062 177.637 177.584 -0.014 0.000 1.254 87 A CA -0.568 51.469 52.037 0.000 0.000 0.874 87 A CB 0.419 19.414 19.000 -0.008 0.000 1.153 87 A HN 0.650 nan 8.150 nan 0.000 0.527 88 V N 3.075 122.979 119.914 -0.017 0.000 2.320 88 V HA 0.530 4.654 4.120 0.008 0.000 0.265 88 V C 0.399 176.444 176.094 -0.080 0.000 1.048 88 V CA 0.031 62.307 62.300 -0.040 0.000 0.865 88 V CB 0.495 32.310 31.823 -0.012 0.000 1.043 88 V HN 0.875 nan 8.190 nan 0.000 0.474 89 S N 3.750 119.369 115.700 -0.135 0.000 2.575 89 S HA 0.295 4.769 4.470 0.008 0.000 0.278 89 S C 0.894 175.315 174.600 -0.299 0.000 1.139 89 S CA -0.667 57.417 58.200 -0.192 0.000 0.954 89 S CB 1.550 64.672 63.200 -0.129 0.000 1.054 89 S HN 0.779 nan 8.310 nan 0.000 0.483 90 N N 3.661 122.066 118.700 -0.493 0.000 2.094 90 N HA -0.130 4.614 4.740 0.008 0.000 0.191 90 N C 0.176 175.508 175.510 -0.295 0.000 1.023 90 N CA 1.432 54.153 53.050 -0.549 0.000 0.857 90 N CB -0.025 38.001 38.487 -0.769 0.000 1.013 90 N HN 0.716 nan 8.380 nan 0.000 0.426 91 N N -2.030 116.516 118.700 -0.257 0.000 3.038 91 N HA 0.480 5.225 4.740 0.008 0.000 0.307 91 N C -0.965 174.415 175.510 -0.217 0.000 1.441 91 N CA -0.532 52.378 53.050 -0.234 0.000 0.772 91 N CB 1.424 39.779 38.487 -0.220 0.000 1.651 91 N HN 0.024 nan 8.380 nan 0.000 0.593 92 A N -0.087 122.593 122.820 -0.234 0.000 2.630 92 A HA 0.657 4.982 4.320 0.008 0.000 0.290 92 A C 0.989 178.513 177.584 -0.101 0.000 1.267 92 A CA 0.255 52.190 52.037 -0.170 0.000 0.950 92 A CB -1.180 17.685 19.000 -0.224 0.000 1.144 92 A HN 0.936 nan 8.150 nan 0.000 0.527 93 G N -0.351 108.395 108.800 -0.090 0.000 2.582 93 G HA2 -0.101 3.863 3.960 0.008 0.000 0.288 93 G HA3 -0.101 3.863 3.960 0.008 0.000 0.288 93 G C 0.448 175.345 174.900 -0.006 0.000 1.247 93 G CA 1.085 46.169 45.100 -0.027 0.000 0.972 93 G HN 1.820 nan 8.290 nan 0.000 0.557 94 V N -3.137 116.808 119.914 0.052 0.000 3.181 94 V HA 0.780 4.905 4.120 0.008 0.000 0.314 94 V C 1.192 177.326 176.094 0.067 0.000 1.173 94 V CA 0.670 63.004 62.300 0.056 0.000 1.052 94 V CB 1.372 33.243 31.823 0.080 0.000 1.123 94 V HN 0.658 nan 8.190 nan 0.000 0.454 95 D N 1.602 122.040 120.400 0.062 0.000 2.116 95 D HA -0.189 4.455 4.640 0.008 0.000 0.193 95 D C 1.379 177.724 176.300 0.075 0.000 0.998 95 D CA 2.398 56.436 54.000 0.063 0.000 0.836 95 D CB -0.264 40.568 40.800 0.053 0.000 0.951 95 D HN 0.893 nan 8.370 nan 0.000 0.449 96 N N -0.799 117.963 118.700 0.102 0.000 2.238 96 N HA 0.064 4.809 4.740 0.008 0.000 0.222 96 N C -0.634 175.037 175.510 0.269 0.000 1.133 96 N CA -0.170 52.961 53.050 0.135 0.000 0.854 96 N CB 0.308 38.859 38.487 0.106 0.000 1.041 96 N HN 0.121 nan 8.380 nan 0.000 0.510 97 F N -0.408 119.546 119.950 0.006 0.000 2.693 97 F HA 0.543 5.075 4.527 0.008 0.000 0.309 97 F C 0.791 176.594 175.800 0.005 0.000 1.129 97 F CA 0.543 58.547 58.000 0.008 0.000 0.948 97 F CB 1.244 40.251 39.000 0.011 0.000 1.315 97 F HN 0.211 nan 8.300 nan 0.000 0.447 98 G N 2.466 110.925 108.800 -0.567 0.000 2.550 98 G HA2 -0.332 3.633 3.960 0.008 0.000 0.277 98 G HA3 -0.332 3.633 3.960 0.008 0.000 0.277 98 G C 0.448 175.235 174.900 -0.188 0.000 1.190 98 G CA 0.256 45.164 45.100 -0.321 0.000 0.971 98 G HN 1.097 nan 8.290 nan 0.000 0.559 99 L N 2.334 123.494 121.223 -0.106 0.000 2.191 99 L HA 0.214 4.558 4.340 0.008 0.000 0.212 99 L C 3.106 179.953 176.870 -0.039 0.000 1.103 99 L CA 3.021 57.818 54.840 -0.072 0.000 0.769 99 L CB -0.956 41.066 42.059 -0.062 0.000 0.908 99 L HN 1.028 nan 8.230 nan 0.000 0.438 100 G N -0.711 108.075 108.800 -0.023 0.000 2.475 100 G HA2 -0.269 3.696 3.960 0.008 0.000 0.220 100 G HA3 -0.269 3.696 3.960 0.008 0.000 0.220 100 G C 1.599 176.505 174.900 0.009 0.000 1.125 100 G CA 1.058 46.167 45.100 0.015 0.000 0.755 100 G HN 0.433 nan 8.290 nan 0.000 0.565 101 L N -0.323 120.887 121.223 -0.023 0.000 2.083 101 L HA 0.030 4.375 4.340 0.008 0.000 0.209 101 L C 2.703 179.561 176.870 -0.021 0.000 1.083 101 L CA 0.534 55.360 54.840 -0.023 0.000 0.752 101 L CB -0.251 41.769 42.059 -0.064 0.000 0.899 101 L HN 0.191 nan 8.230 nan 0.000 0.433 102 L N -1.221 119.985 121.223 -0.029 0.000 2.395 102 L HA -0.134 4.211 4.340 0.008 0.000 0.218 102 L C 2.201 179.069 176.870 -0.003 0.000 1.130 102 L CA 0.127 54.954 54.840 -0.022 0.000 0.826 102 L CB -0.124 41.917 42.059 -0.030 0.000 0.941 102 L HN 0.229 nan 8.230 nan 0.000 0.451 103 L N -0.682 120.548 121.223 0.012 0.000 2.162 103 L HA -0.102 4.243 4.340 0.008 0.000 0.205 103 L C 2.473 179.354 176.870 0.018 0.000 1.086 103 L CA 1.444 56.301 54.840 0.028 0.000 0.778 103 L CB -0.556 41.541 42.059 0.063 0.000 0.928 103 L HN 0.149 nan 8.230 nan 0.000 0.446 104 Q N -0.627 119.183 119.800 0.017 0.000 2.170 104 Q HA -0.122 4.223 4.340 0.008 0.000 0.203 104 Q C 2.170 178.174 176.000 0.005 0.000 0.976 104 Q CA 1.607 57.419 55.803 0.014 0.000 0.858 104 Q CB -0.097 28.652 28.738 0.018 0.000 0.907 104 Q HN 0.577 nan 8.270 nan 0.000 0.433 105 S N -0.953 114.747 115.700 0.000 0.000 2.575 105 S HA 0.143 4.618 4.470 0.008 0.000 0.215 105 S C 0.042 174.638 174.600 -0.006 0.000 0.966 105 S CA -0.184 58.013 58.200 -0.005 0.000 0.911 105 S CB 0.008 63.202 63.200 -0.011 0.000 0.780 105 S HN 0.297 nan 8.310 nan 0.000 0.514 106 K N 0.750 121.149 120.400 -0.003 0.000 3.077 106 K HA -0.229 4.095 4.320 0.008 0.000 0.264 106 K C 0.220 176.817 176.600 -0.006 0.000 1.008 106 K CA 0.846 57.130 56.287 -0.003 0.000 0.740 106 K CB -1.754 30.743 32.500 -0.006 0.000 1.273 106 K HN 0.609 nan 8.250 nan 0.000 0.477 107 Q N -0.060 119.735 119.800 -0.007 0.000 2.319 107 Q HA 0.132 4.476 4.340 0.008 0.000 0.202 107 Q C 0.163 176.159 176.000 -0.008 0.000 0.896 107 Q CA 0.173 55.969 55.803 -0.012 0.000 0.942 107 Q CB 0.517 29.242 28.738 -0.021 0.000 1.083 107 Q HN 0.270 nan 8.270 nan 0.000 0.510 108 I N 0.929 121.500 120.570 0.001 0.000 2.339 108 I HA 0.117 4.292 4.170 0.008 0.000 0.290 108 I C 0.807 176.933 176.117 0.015 0.000 0.994 108 I CA 0.037 61.343 61.300 0.010 0.000 1.191 108 I CB 1.535 39.549 38.000 0.023 0.000 1.343 108 I HN 0.035 nan 8.210 nan 0.000 0.458 109 K N 5.940 126.349 120.400 0.015 0.000 2.141 109 K HA 0.132 4.457 4.320 0.008 0.000 0.202 109 K C 0.703 177.320 176.600 0.029 0.000 1.045 109 K CA 0.557 56.855 56.287 0.017 0.000 0.971 109 K CB 0.759 33.267 32.500 0.014 0.000 0.795 109 K HN 0.570 nan 8.250 nan 0.000 0.459 110 R N 0.463 120.983 120.500 0.032 0.000 2.673 110 R HA 0.284 4.629 4.340 0.008 0.000 0.281 110 R C -1.391 174.934 176.300 0.043 0.000 0.991 110 R CA -0.638 55.487 56.100 0.042 0.000 0.896 110 R CB 1.384 31.704 30.300 0.032 0.000 1.201 110 R HN 0.039 nan 8.270 nan 0.000 0.457 111 M N 5.642 125.279 119.600 0.061 0.000 2.243 111 M HA 0.421 4.906 4.480 0.008 0.000 0.324 111 M C -0.764 175.543 176.300 0.011 0.000 1.031 111 M CA -0.544 54.783 55.300 0.044 0.000 0.949 111 M CB 1.673 34.335 32.600 0.104 0.000 1.615 111 M HN 0.540 nan 8.290 nan 0.000 0.430 112 I N 2.565 123.121 120.570 -0.023 0.000 2.390 112 I HA 0.428 4.602 4.170 0.008 0.000 0.283 112 I C -0.289 175.775 176.117 -0.087 0.000 1.016 112 I CA -0.062 61.214 61.300 -0.040 0.000 1.151 112 I CB 1.200 39.185 38.000 -0.026 0.000 1.293 112 I HN 0.639 nan 8.210 nan 0.000 0.458 113 S N 2.160 117.796 115.700 -0.106 0.000 2.671 113 S HA 0.336 4.811 4.470 0.008 0.000 0.277 113 S C 0.438 174.964 174.600 -0.124 0.000 1.165 113 S CA -0.554 57.553 58.200 -0.155 0.000 0.822 113 S CB 1.912 64.990 63.200 -0.203 0.000 1.150 113 S HN 0.663 nan 8.310 nan 0.000 0.479 114 S N -0.568 115.065 115.700 -0.111 0.000 2.514 114 S HA 0.304 4.779 4.470 0.008 0.000 0.223 114 S C -0.270 174.359 174.600 0.049 0.000 1.046 114 S CA 0.020 58.196 58.200 -0.041 0.000 0.914 114 S CB -0.028 63.166 63.200 -0.010 0.000 0.807 114 S HN 0.731 nan 8.310 nan 0.000 0.497 115 Y N 1.322 121.530 120.300 -0.153 0.000 2.358 115 Y HA 0.487 5.041 4.550 0.007 0.000 0.324 115 Y C -0.518 175.227 175.900 -0.258 0.000 1.123 115 Y CA -1.165 56.844 58.100 -0.151 0.000 1.067 115 Y CB 1.975 40.377 38.460 -0.096 0.000 1.230 115 Y HN 0.101 nan 8.280 nan 0.000 0.429 116 V N 2.992 122.331 119.914 -0.959 0.000 2.988 116 V HA 0.644 4.768 4.120 0.008 0.000 0.356 116 V C 0.795 176.307 176.094 -0.970 0.000 1.380 116 V CA 0.287 61.983 62.300 -1.007 0.000 1.184 116 V CB -0.079 30.886 31.823 -1.430 0.000 1.204 116 V HN 0.889 nan 8.190 nan 0.000 0.530 117 G N 0.338 108.353 108.800 -1.310 0.000 2.631 117 G HA2 0.424 4.389 3.960 0.008 0.000 0.271 117 G HA3 0.424 4.389 3.960 0.008 0.000 0.271 117 G C 0.302 175.043 174.900 -0.265 0.000 1.302 117 G CA 0.193 44.926 45.100 -0.613 0.000 1.002 117 G HN 0.600 nan 8.290 nan 0.000 0.519 118 E N -2.091 118.066 120.200 -0.072 0.000 2.586 118 E HA -0.227 4.128 4.350 0.008 0.000 0.259 118 E C -0.000 176.590 176.600 -0.016 0.000 1.107 118 E CA 1.404 57.797 56.400 -0.012 0.000 0.754 118 E CB -1.551 28.163 29.700 0.023 0.000 1.335 118 E HN 0.624 nan 8.360 nan 0.000 0.411 119 N N -1.654 117.039 118.700 -0.011 0.000 2.653 119 N HA 0.484 5.229 4.740 0.008 0.000 0.261 119 N C 0.685 176.264 175.510 0.115 0.000 1.216 119 N CA 0.396 53.472 53.050 0.044 0.000 0.784 119 N CB 0.386 38.888 38.487 0.024 0.000 1.327 119 N HN 0.089 nan 8.380 nan 0.000 0.539 120 A N 1.914 124.784 122.820 0.083 0.000 1.933 120 A HA -0.190 4.135 4.320 0.008 0.000 0.218 120 A C 1.897 179.530 177.584 0.082 0.000 1.175 120 A CA 1.572 53.657 52.037 0.080 0.000 0.628 120 A CB -0.382 18.648 19.000 0.049 0.000 0.814 120 A HN 0.730 nan 8.150 nan 0.000 0.444 121 E N -0.628 119.620 120.200 0.080 0.000 2.110 121 E HA -0.178 4.176 4.350 0.008 0.000 0.193 121 E C 1.572 178.209 176.600 0.063 0.000 0.988 121 E CA 1.463 57.898 56.400 0.058 0.000 0.804 121 E CB -0.503 29.230 29.700 0.056 0.000 0.745 121 E HN 0.601 nan 8.360 nan 0.000 0.458 122 F N 1.437 121.388 119.950 0.003 0.000 2.051 122 F HA -0.154 4.377 4.527 0.007 0.000 0.296 122 F C 2.258 178.089 175.800 0.052 0.000 1.122 122 F CA 2.288 60.292 58.000 0.006 0.000 1.201 122 F CB -0.575 38.400 39.000 -0.043 0.000 0.978 122 F HN 0.142 nan 8.300 nan 0.000 0.472 123 E N 0.254 120.514 120.200 0.100 0.000 2.097 123 E HA -0.337 4.018 4.350 0.008 0.000 0.196 123 E C 2.475 179.057 176.600 -0.030 0.000 1.000 123 E CA 1.673 58.110 56.400 0.061 0.000 0.804 123 E CB -0.328 29.471 29.700 0.165 0.000 0.740 123 E HN 0.512 nan 8.360 nan 0.000 0.454 124 R N 0.068 120.548 120.500 -0.033 0.000 2.066 124 R HA -0.136 4.208 4.340 0.008 0.000 0.232 124 R C 2.435 178.684 176.300 -0.085 0.000 1.131 124 R CA 1.788 57.860 56.100 -0.047 0.000 0.955 124 R CB -0.068 30.216 30.300 -0.027 0.000 0.851 124 R HN 0.253 nan 8.270 nan 0.000 0.432 125 Q N -0.863 118.872 119.800 -0.109 0.000 2.124 125 Q HA -0.227 4.118 4.340 0.008 0.000 0.202 125 Q C 1.810 177.737 176.000 -0.123 0.000 0.977 125 Q CA 1.689 57.425 55.803 -0.111 0.000 0.850 125 Q CB -0.213 28.462 28.738 -0.104 0.000 0.901 125 Q HN 0.432 nan 8.270 nan 0.000 0.429 126 Y N 1.136 121.221 120.300 -0.358 0.000 2.163 126 Y HA -0.139 4.415 4.550 0.007 0.000 0.288 126 Y C 1.754 177.618 175.900 -0.060 0.000 1.136 126 Y CA 1.197 59.122 58.100 -0.293 0.000 1.147 126 Y CB -0.207 37.921 38.460 -0.554 0.000 0.987 126 Y HN -0.023 nan 8.280 nan 0.000 0.509 127 L N -0.146 120.939 121.223 -0.230 0.000 2.201 127 L HA -0.106 4.239 4.340 0.008 0.000 0.212 127 L C 2.469 179.163 176.870 -0.294 0.000 1.105 127 L CA 0.986 55.622 54.840 -0.339 0.000 0.775 127 L CB -0.770 41.173 42.059 -0.192 0.000 0.913 127 L HN 0.338 nan 8.230 nan 0.000 0.440 128 A N -0.249 122.461 122.820 -0.183 0.000 2.235 128 A HA 0.241 4.565 4.320 0.008 0.000 0.208 128 A C 1.671 179.189 177.584 -0.111 0.000 1.172 128 A CA 0.685 52.641 52.037 -0.135 0.000 0.786 128 A CB -0.529 18.415 19.000 -0.093 0.000 0.804 128 A HN 0.500 nan 8.150 nan 0.000 0.479 129 G N -0.724 108.005 108.800 -0.119 0.000 2.198 129 G HA2 -0.253 3.711 3.960 0.008 0.000 0.257 129 G HA3 -0.253 3.711 3.960 0.008 0.000 0.257 129 G C 0.338 175.213 174.900 -0.041 0.000 1.042 129 G CA 0.755 45.821 45.100 -0.056 0.000 0.791 129 G HN 0.481 nan 8.290 nan 0.000 0.502 130 E N -1.564 118.607 120.200 -0.048 0.000 2.526 130 E HA 0.477 4.831 4.350 0.008 0.000 0.208 130 E C 0.402 176.991 176.600 -0.019 0.000 0.997 130 E CA -0.134 56.247 56.400 -0.031 0.000 0.961 130 E CB 0.343 30.020 29.700 -0.037 0.000 1.030 130 E HN 0.558 nan 8.360 nan 0.000 0.483 131 L N 0.645 121.862 121.223 -0.010 0.000 2.408 131 L HA 0.499 4.843 4.340 0.008 0.000 0.268 131 L C -1.165 175.761 176.870 0.093 0.000 0.986 131 L CA -0.526 54.325 54.840 0.017 0.000 0.820 131 L CB 2.024 44.054 42.059 -0.048 0.000 1.303 131 L HN -0.162 nan 8.230 nan 0.000 0.411 132 E N 2.610 122.861 120.200 0.086 0.000 2.214 132 E HA 0.694 5.049 4.350 0.008 0.000 0.274 132 E C -1.531 175.142 176.600 0.121 0.000 0.977 132 E CA -0.634 55.832 56.400 0.109 0.000 0.827 132 E CB 2.606 32.342 29.700 0.059 0.000 1.130 132 E HN 0.438 nan 8.360 nan 0.000 0.394 133 V N 2.069 122.055 119.914 0.121 0.000 2.817 133 V HA 0.243 4.367 4.120 0.008 0.000 0.303 133 V C -1.746 174.365 176.094 0.029 0.000 1.151 133 V CA -0.472 61.873 62.300 0.075 0.000 0.929 133 V CB 1.913 33.790 31.823 0.090 0.000 1.030 133 V HN 0.698 nan 8.190 nan 0.000 0.427 134 E N 6.622 126.828 120.200 0.010 0.000 2.073 134 E HA 0.443 4.798 4.350 0.008 0.000 0.269 134 E C -0.920 175.663 176.600 -0.027 0.000 0.917 134 E CA -0.477 55.920 56.400 -0.005 0.000 0.757 134 E CB 1.781 31.478 29.700 -0.006 0.000 1.111 134 E HN 0.636 nan 8.360 nan 0.000 0.410 135 L N 3.305 124.512 121.223 -0.027 0.000 2.278 135 L HA 0.227 4.572 4.340 0.008 0.000 0.287 135 L C 0.437 177.280 176.870 -0.046 0.000 1.072 135 L CA -0.039 54.777 54.840 -0.040 0.000 0.819 135 L CB 0.846 42.900 42.059 -0.007 0.000 1.176 135 L HN 0.411 nan 8.230 nan 0.000 0.435 136 T N 3.816 118.333 114.554 -0.062 0.000 2.861 136 T HA 0.508 4.863 4.350 0.008 0.000 0.287 136 T C -2.653 171.992 174.700 -0.092 0.000 1.003 136 T CA -2.176 59.883 62.100 -0.068 0.000 0.977 136 T CB 2.033 70.874 68.868 -0.045 0.000 0.996 136 T HN 0.135 nan 8.240 nan 0.000 0.448 137 P HA 0.024 nan 4.420 nan 0.000 0.264 137 P C 0.722 177.923 177.300 -0.165 0.000 1.179 137 P CA 0.201 63.205 63.100 -0.160 0.000 0.763 137 P CB 0.416 32.022 31.700 -0.157 0.000 0.806 138 Q N 2.606 122.281 119.800 -0.208 0.000 2.061 138 Q HA -0.172 4.172 4.340 0.008 0.000 0.204 138 Q C 2.161 177.821 176.000 -0.567 0.000 0.984 138 Q CA 2.256 57.929 55.803 -0.217 0.000 0.846 138 Q CB -0.801 27.895 28.738 -0.070 0.000 0.902 138 Q HN 0.711 nan 8.270 nan 0.000 0.421 139 G N -0.772 107.283 108.800 -1.243 0.000 2.422 139 G HA2 -0.236 3.729 3.960 0.008 0.000 0.218 139 G HA3 -0.236 3.729 3.960 0.008 0.000 0.218 139 G C 1.330 176.052 174.900 -0.297 0.000 1.146 139 G CA 1.279 45.684 45.100 -1.158 0.000 0.769 139 G HN 0.346 nan 8.290 nan 0.000 0.547 140 T N 0.906 115.363 114.554 -0.161 0.000 2.777 140 T HA -0.076 4.279 4.350 0.008 0.000 0.266 140 T C 2.238 176.987 174.700 0.083 0.000 1.040 140 T CA 1.049 63.175 62.100 0.043 0.000 1.141 140 T CB -0.207 68.670 68.868 0.015 0.000 0.868 140 T HN 0.133 nan 8.240 nan 0.000 0.444 141 L N 1.637 122.882 121.223 0.036 0.000 2.012 141 L HA 0.001 4.346 4.340 0.008 0.000 0.210 141 L C 2.583 179.579 176.870 0.210 0.000 1.073 141 L CA 2.034 56.941 54.840 0.112 0.000 0.748 141 L CB -1.060 41.054 42.059 0.092 0.000 0.891 141 L HN 0.222 nan 8.230 nan 0.000 0.431 142 A N -1.008 121.945 122.820 0.222 0.000 1.902 142 A HA -0.231 4.094 4.320 0.008 0.000 0.217 142 A C 2.268 179.847 177.584 -0.008 0.000 1.181 142 A CA 1.728 53.819 52.037 0.091 0.000 0.623 142 A CB -0.685 18.218 19.000 -0.162 0.000 0.818 142 A HN 0.526 nan 8.150 nan 0.000 0.443 143 E N 0.021 120.205 120.200 -0.027 0.000 2.107 143 E HA -0.083 4.272 4.350 0.008 0.000 0.191 143 E C 2.145 178.663 176.600 -0.136 0.000 0.982 143 E CA 1.097 57.395 56.400 -0.171 0.000 0.809 143 E CB -0.217 29.328 29.700 -0.258 0.000 0.756 143 E HN 0.585 nan 8.360 nan 0.000 0.459 144 R N -0.272 120.314 120.500 0.144 0.000 2.092 144 R HA -0.007 4.337 4.340 0.008 0.000 0.231 144 R C 2.370 178.730 176.300 0.100 0.000 1.119 144 R CA 1.379 57.625 56.100 0.242 0.000 0.970 144 R CB -0.273 30.159 30.300 0.220 0.000 0.864 144 R HN 0.275 nan 8.270 nan 0.000 0.440 145 I N 0.123 120.733 120.570 0.068 0.000 2.286 145 I HA -0.241 3.934 4.170 0.008 0.000 0.245 145 I C 2.759 178.868 176.117 -0.013 0.000 1.104 145 I CA 1.006 62.333 61.300 0.045 0.000 1.397 145 I CB -0.253 37.800 38.000 0.088 0.000 1.072 145 I HN 0.129 nan 8.210 nan 0.000 0.417 146 R N 1.501 121.965 120.500 -0.060 0.000 2.083 146 R HA -0.209 4.135 4.340 0.008 0.000 0.237 146 R C 2.392 178.636 176.300 -0.094 0.000 1.137 146 R CA 1.798 57.835 56.100 -0.106 0.000 0.951 146 R CB -0.346 29.862 30.300 -0.154 0.000 0.851 146 R HN 0.335 nan 8.270 nan 0.000 0.434 147 A N 0.395 123.148 122.820 -0.111 0.000 1.917 147 A HA -0.138 4.186 4.320 0.008 0.000 0.219 147 A C 2.387 179.969 177.584 -0.003 0.000 1.182 147 A CA 1.898 53.896 52.037 -0.066 0.000 0.633 147 A CB -1.387 17.607 19.000 -0.009 0.000 0.819 147 A HN 0.629 nan 8.150 nan 0.000 0.448 148 G N -1.149 107.659 108.800 0.014 0.000 2.448 148 G HA2 0.067 4.031 3.960 0.008 0.000 0.219 148 G HA3 0.067 4.031 3.960 0.008 0.000 0.219 148 G C 1.314 176.223 174.900 0.014 0.000 1.127 148 G CA 1.244 46.358 45.100 0.024 0.000 0.766 148 G HN 0.772 nan 8.290 nan 0.000 0.552 149 G N -0.130 108.665 108.800 -0.008 0.000 2.796 149 G HA2 0.327 4.292 3.960 0.008 0.000 0.210 149 G HA3 0.327 4.292 3.960 0.008 0.000 0.210 149 G C 1.426 176.339 174.900 0.021 0.000 1.146 149 G CA 0.974 46.072 45.100 -0.004 0.000 0.779 149 G HN 0.552 nan 8.290 nan 0.000 0.535 150 A N -0.148 122.673 122.820 0.000 0.000 2.345 150 A HA 0.511 4.836 4.320 0.008 0.000 0.225 150 A C 1.847 179.441 177.584 0.017 0.000 1.243 150 A CA 1.027 53.069 52.037 0.009 0.000 0.875 150 A CB -0.392 18.592 19.000 -0.027 0.000 0.929 150 A HN 1.398 nan 8.150 nan 0.000 0.502 151 G N -1.289 107.525 108.800 0.024 0.000 2.143 151 G HA2 -0.200 3.764 3.960 0.008 0.000 0.248 151 G HA3 -0.200 3.764 3.960 0.008 0.000 0.248 151 G C 0.110 175.024 174.900 0.024 0.000 0.991 151 G CA 0.290 45.405 45.100 0.026 0.000 0.689 151 G HN 0.815 nan 8.290 nan 0.000 0.522 152 V N 2.274 122.202 119.914 0.023 0.000 2.318 152 V HA 0.317 4.442 4.120 0.008 0.000 0.271 152 V C 0.022 176.155 176.094 0.066 0.000 1.030 152 V CA -0.661 61.662 62.300 0.038 0.000 0.844 152 V CB 1.570 33.407 31.823 0.023 0.000 1.015 152 V HN 0.189 nan 8.190 nan 0.000 0.460 153 P HA 0.052 nan 4.420 nan 0.000 0.219 153 P C 0.289 177.627 177.300 0.063 0.000 1.150 153 P CA 0.957 64.088 63.100 0.052 0.000 0.814 153 P CB 0.806 32.525 31.700 0.032 0.000 0.787 154 A N -1.019 121.846 122.820 0.076 0.000 2.612 154 A HA 0.676 5.001 4.320 0.008 0.000 0.293 154 A C -1.336 176.302 177.584 0.090 0.000 1.075 154 A CA -0.612 51.436 52.037 0.018 0.000 0.680 154 A CB 0.791 19.725 19.000 -0.109 0.000 1.279 154 A HN 0.136 nan 8.150 nan 0.000 0.411 155 F N -1.679 118.168 119.950 -0.172 0.000 2.779 155 F HA 0.835 5.367 4.527 0.007 0.000 0.316 155 F C -1.794 173.846 175.800 -0.266 0.000 1.164 155 F CA -1.490 56.418 58.000 -0.153 0.000 0.924 155 F CB 0.676 39.634 39.000 -0.071 0.000 1.348 155 F HN 0.498 nan 8.300 nan 0.000 0.467 156 Y N -0.034 120.246 120.300 -0.033 0.000 2.420 156 Y HA 0.686 5.240 4.550 0.007 0.000 0.334 156 Y C 0.316 176.286 175.900 0.116 0.000 1.094 156 Y CA -0.605 57.462 58.100 -0.054 0.000 1.126 156 Y CB 2.160 40.569 38.460 -0.085 0.000 1.217 156 Y HN 0.903 nan 8.280 nan 0.000 0.462 157 T N -0.489 114.285 114.554 0.367 0.000 2.932 157 T HA 0.251 4.605 4.350 0.008 0.000 0.318 157 T C 0.342 175.321 174.700 0.465 0.000 1.265 157 T CA -0.196 62.161 62.100 0.430 0.000 1.036 157 T CB 0.859 69.915 68.868 0.314 0.000 1.209 157 T HN 0.664 nan 8.240 nan 0.000 0.484 158 S N 1.621 117.562 115.700 0.403 0.000 2.528 158 S HA 0.125 4.599 4.470 0.008 0.000 0.219 158 S C 0.863 175.544 174.600 0.135 0.000 0.985 158 S CA 0.029 58.289 58.200 0.102 0.000 0.914 158 S CB -0.381 62.731 63.200 -0.147 0.000 0.776 158 S HN 0.748 nan 8.310 nan 0.000 0.526 159 T N 2.772 117.413 114.554 0.144 0.000 2.831 159 T HA 0.445 4.799 4.350 0.008 0.000 0.291 159 T C 1.323 176.061 174.700 0.063 0.000 0.981 159 T CA 0.948 63.099 62.100 0.086 0.000 1.174 159 T CB 0.201 69.106 68.868 0.062 0.000 0.929 159 T HN 0.901 nan 8.240 nan 0.000 0.532 160 G N 2.857 111.676 108.800 0.031 0.000 2.175 160 G HA2 -0.268 3.697 3.960 0.008 0.000 0.244 160 G HA3 -0.268 3.697 3.960 0.008 0.000 0.244 160 G C -0.002 174.927 174.900 0.049 0.000 0.982 160 G CA -0.102 45.000 45.100 0.003 0.000 0.641 160 G HN 0.813 nan 8.290 nan 0.000 0.527 161 Y N 1.368 121.667 120.300 -0.003 0.000 2.526 161 Y HA 0.382 4.936 4.550 0.008 0.000 0.330 161 Y C 1.323 177.225 175.900 0.003 0.000 1.156 161 Y CA 0.642 58.743 58.100 0.002 0.000 1.419 161 Y CB 0.794 39.249 38.460 -0.009 0.000 1.250 161 Y HN 1.476 nan 8.280 nan 0.000 0.540 162 G N 3.301 111.564 108.800 -0.895 0.000 2.198 162 G HA2 -0.219 3.745 3.960 0.008 0.000 0.257 162 G HA3 -0.219 3.745 3.960 0.008 0.000 0.257 162 G C -0.038 174.719 174.900 -0.238 0.000 1.042 162 G CA 0.354 45.066 45.100 -0.647 0.000 0.791 162 G HN 0.896 nan 8.290 nan 0.000 0.502 163 T N -1.027 113.437 114.554 -0.149 0.000 2.865 163 T HA 0.519 4.874 4.350 0.008 0.000 0.294 163 T C 1.615 176.316 174.700 0.002 0.000 1.119 163 T CA -0.522 61.565 62.100 -0.020 0.000 1.007 163 T CB 1.485 70.348 68.868 -0.008 0.000 1.225 163 T HN 0.062 nan 8.240 nan 0.000 0.515 164 L N 1.326 122.591 121.223 0.070 0.000 2.265 164 L HA -0.073 4.272 4.340 0.008 0.000 0.215 164 L C 2.419 179.311 176.870 0.037 0.000 1.117 164 L CA 0.733 55.612 54.840 0.065 0.000 0.782 164 L CB -0.417 41.716 42.059 0.123 0.000 0.914 164 L HN 0.469 nan 8.230 nan 0.000 0.441 165 V N -0.248 119.677 119.914 0.018 0.000 2.343 165 V HA -0.333 3.792 4.120 0.008 0.000 0.247 165 V C 2.427 178.520 176.094 -0.002 0.000 1.051 165 V CA 2.068 64.363 62.300 -0.007 0.000 1.036 165 V CB -0.435 31.364 31.823 -0.039 0.000 0.654 165 V HN 0.571 nan 8.190 nan 0.000 0.451 166 Q N -0.199 119.600 119.800 -0.002 0.000 2.089 166 Q HA -0.176 4.168 4.340 0.008 0.000 0.195 166 Q C 2.254 178.253 176.000 -0.001 0.000 0.963 166 Q CA 1.466 57.273 55.803 0.007 0.000 0.834 166 Q CB -0.029 28.706 28.738 -0.004 0.000 0.906 166 Q HN 0.708 nan 8.270 nan 0.000 0.452 167 E N 0.003 120.194 120.200 -0.014 0.000 2.085 167 E HA -0.060 4.295 4.350 0.008 0.000 0.194 167 E C 0.912 177.513 176.600 0.002 0.000 0.994 167 E CA 0.610 57.004 56.400 -0.010 0.000 0.801 167 E CB -0.170 29.523 29.700 -0.010 0.000 0.743 167 E HN 0.550 nan 8.360 nan 0.000 0.453 168 G N -1.216 107.589 108.800 0.009 0.000 2.693 168 G HA2 -0.133 3.832 3.960 0.008 0.000 0.226 168 G HA3 -0.133 3.832 3.960 0.008 0.000 0.226 168 G C 0.729 175.636 174.900 0.012 0.000 1.354 168 G CA -0.282 44.823 45.100 0.009 0.000 0.873 168 G HN 0.821 nan 8.290 nan 0.000 0.562 169 G N -2.208 106.596 108.800 0.006 0.000 2.225 169 G HA2 -0.049 3.916 3.960 0.008 0.000 0.254 169 G HA3 -0.049 3.916 3.960 0.008 0.000 0.254 169 G C 0.913 175.815 174.900 0.004 0.000 0.988 169 G CA 1.284 46.386 45.100 0.004 0.000 0.625 169 G HN 2.082 nan 8.290 nan 0.000 0.527 170 S N 2.921 118.629 115.700 0.015 0.000 2.579 170 S HA 0.465 4.940 4.470 0.008 0.000 0.275 170 S C -1.881 172.708 174.600 -0.019 0.000 1.345 170 S CA -0.087 58.125 58.200 0.020 0.000 1.031 170 S CB 1.308 64.540 63.200 0.053 0.000 0.892 170 S HN 0.403 nan 8.310 nan 0.000 0.529 171 P HA 0.264 nan 4.420 nan 0.000 0.280 171 P C 0.121 177.378 177.300 -0.072 0.000 1.300 171 P CA -0.086 62.901 63.100 -0.187 0.000 0.785 171 P CB 0.320 31.701 31.700 -0.532 0.000 0.874 172 I N 2.242 122.785 120.570 -0.045 0.000 2.716 172 I HA 0.014 4.188 4.170 0.008 0.000 0.259 172 I C 1.270 177.432 176.117 0.076 0.000 1.172 172 I CA 1.139 62.461 61.300 0.036 0.000 1.478 172 I CB 0.075 38.082 38.000 0.013 0.000 1.104 172 I HN 0.351 nan 8.210 nan 0.000 0.439 173 K N -0.253 120.103 120.400 -0.073 0.000 2.543 173 K HA 0.330 4.655 4.320 0.008 0.000 0.255 173 K C -1.719 174.734 176.600 -0.246 0.000 0.934 173 K CA -0.594 55.633 56.287 -0.101 0.000 0.810 173 K CB 1.826 34.310 32.500 -0.026 0.000 1.315 173 K HN -0.274 nan 8.250 nan 0.000 0.433 174 Y N 1.165 121.359 120.300 -0.177 0.000 2.403 174 Y HA 0.326 4.880 4.550 0.008 0.000 0.323 174 Y C 0.573 176.399 175.900 -0.123 0.000 1.226 174 Y CA -0.305 57.688 58.100 -0.178 0.000 1.235 174 Y CB 1.377 39.664 38.460 -0.288 0.000 1.248 174 Y HN 0.596 nan 8.280 nan 0.000 0.489 175 N N 0.337 119.100 118.700 0.105 0.000 2.495 175 N HA 0.165 4.909 4.740 0.008 0.000 0.280 175 N C 0.342 175.855 175.510 0.006 0.000 1.168 175 N CA -0.626 52.444 53.050 0.033 0.000 0.978 175 N CB 0.840 39.341 38.487 0.023 0.000 1.191 175 N HN 0.533 nan 8.380 nan 0.000 0.497 176 K N 0.278 120.668 120.400 -0.015 0.000 2.442 176 K HA -0.135 4.190 4.320 0.008 0.000 0.199 176 K C 0.219 176.791 176.600 -0.047 0.000 1.044 176 K CA 0.938 57.203 56.287 -0.037 0.000 0.941 176 K CB -0.071 32.411 32.500 -0.031 0.000 0.759 176 K HN 0.591 nan 8.250 nan 0.000 0.472 177 D N -1.125 119.254 120.400 -0.035 0.000 2.363 177 D HA 0.045 4.690 4.640 0.008 0.000 0.214 177 D C 1.097 177.365 176.300 -0.053 0.000 1.093 177 D CA 0.606 54.582 54.000 -0.040 0.000 0.837 177 D CB 0.522 41.307 40.800 -0.024 0.000 0.948 177 D HN 0.202 nan 8.370 nan 0.000 0.507 178 G N 0.547 109.307 108.800 -0.067 0.000 2.213 178 G HA2 -0.291 3.673 3.960 0.008 0.000 0.236 178 G HA3 -0.291 3.673 3.960 0.008 0.000 0.236 178 G C 0.506 175.415 174.900 0.016 0.000 0.991 178 G CA 0.390 45.425 45.100 -0.107 0.000 0.629 178 G HN 0.764 nan 8.290 nan 0.000 0.517 179 S N -0.087 115.645 115.700 0.054 0.000 2.634 179 S HA 0.705 5.179 4.470 0.008 0.000 0.261 179 S C 0.476 175.165 174.600 0.148 0.000 1.271 179 S CA -0.607 57.644 58.200 0.085 0.000 0.985 179 S CB 1.307 64.529 63.200 0.037 0.000 0.968 179 S HN 0.581 nan 8.310 nan 0.000 0.568 180 I N 1.649 122.268 120.570 0.081 0.000 2.337 180 I HA 0.277 4.452 4.170 0.008 0.000 0.291 180 I C 1.200 177.306 176.117 -0.019 0.000 1.046 180 I CA -0.511 60.789 61.300 -0.000 0.000 1.324 180 I CB 1.000 38.975 38.000 -0.041 0.000 1.409 180 I HN 0.902 nan 8.210 nan 0.000 0.494 181 A N 7.804 130.601 122.820 -0.038 0.000 1.878 181 A HA 0.277 4.601 4.320 0.008 0.000 0.213 181 A C 0.911 178.473 177.584 -0.036 0.000 1.192 181 A CA 0.997 53.019 52.037 -0.026 0.000 0.619 181 A CB 0.129 19.117 19.000 -0.019 0.000 0.837 181 A HN 0.636 nan 8.150 nan 0.000 0.446 182 I N -0.874 119.659 120.570 -0.061 0.000 2.534 182 I HA 0.566 4.741 4.170 0.008 0.000 0.288 182 I C -0.314 175.767 176.117 -0.060 0.000 1.077 182 I CA -0.645 60.627 61.300 -0.046 0.000 1.051 182 I CB 2.140 40.123 38.000 -0.028 0.000 1.234 182 I HN 0.186 nan 8.210 nan 0.000 0.425 183 A N 3.801 126.597 122.820 -0.040 0.000 2.337 183 A HA 0.789 5.114 4.320 0.008 0.000 0.331 183 A C -0.013 177.560 177.584 -0.018 0.000 1.137 183 A CA -0.571 51.444 52.037 -0.036 0.000 0.807 183 A CB 1.360 20.344 19.000 -0.028 0.000 1.250 183 A HN 0.753 nan 8.150 nan 0.000 0.468 184 S N 1.249 116.942 115.700 -0.011 0.000 2.564 184 S HA 0.373 4.847 4.470 0.008 0.000 0.278 184 S C -0.192 174.406 174.600 -0.004 0.000 1.333 184 S CA -0.382 57.816 58.200 -0.004 0.000 1.048 184 S CB 0.360 63.562 63.200 0.003 0.000 0.900 184 S HN 0.591 nan 8.310 nan 0.000 0.505 185 K N 2.226 122.623 120.400 -0.005 0.000 2.118 185 K HA 0.439 4.764 4.320 0.008 0.000 0.264 185 K C -2.501 174.097 176.600 -0.004 0.000 1.000 185 K CA -1.878 54.406 56.287 -0.005 0.000 0.929 185 K CB 0.202 32.698 32.500 -0.007 0.000 1.021 185 K HN 0.427 nan 8.250 nan 0.000 0.463 186 P HA 0.132 nan 4.420 nan 0.000 0.273 186 P C -0.813 176.488 177.300 0.002 0.000 1.250 186 P CA -0.349 62.753 63.100 0.003 0.000 0.793 186 P CB 0.618 32.322 31.700 0.007 0.000 1.011 187 R N 1.272 121.778 120.500 0.010 0.000 2.514 187 R HA 0.310 4.655 4.340 0.008 0.000 0.301 187 R C 0.017 176.341 176.300 0.040 0.000 0.962 187 R CA -0.642 55.463 56.100 0.007 0.000 0.882 187 R CB 0.881 31.184 30.300 0.005 0.000 1.143 187 R HN 0.552 nan 8.270 nan 0.000 0.452 188 E N 1.163 121.385 120.200 0.036 0.000 2.413 188 E HA 0.119 4.473 4.350 0.008 0.000 0.263 188 E C -0.316 176.382 176.600 0.163 0.000 1.015 188 E CA 0.019 56.469 56.400 0.084 0.000 0.916 188 E CB 0.949 30.696 29.700 0.079 0.000 0.947 188 E HN 0.127 nan 8.360 nan 0.000 0.440 189 V N 3.148 123.169 119.914 0.178 0.000 2.667 189 V HA 0.580 4.705 4.120 0.008 0.000 0.308 189 V C -0.071 176.149 176.094 0.209 0.000 1.048 189 V CA -0.691 61.744 62.300 0.225 0.000 0.928 189 V CB 1.804 33.737 31.823 0.184 0.000 1.004 189 V HN 0.642 nan 8.190 nan 0.000 0.444 190 R N 1.838 122.473 120.500 0.225 0.000 2.643 190 R HA 0.472 4.817 4.340 0.008 0.000 0.269 190 R C -1.279 175.026 176.300 0.008 0.000 1.037 190 R CA -0.605 55.515 56.100 0.034 0.000 0.894 190 R CB 2.256 32.492 30.300 -0.107 0.000 1.238 190 R HN 0.858 nan 8.270 nan 0.000 0.459 191 E N 2.668 122.756 120.200 -0.186 0.000 2.231 191 E HA 0.416 4.770 4.350 0.008 0.000 0.277 191 E C -1.556 174.755 176.600 -0.481 0.000 0.999 191 E CA -0.504 55.798 56.400 -0.164 0.000 0.827 191 E CB 0.882 30.499 29.700 -0.138 0.000 1.101 191 E HN 0.346 nan 8.360 nan 0.000 0.393 192 F N 2.866 122.859 119.950 0.071 0.000 2.573 192 F HA 0.261 4.792 4.527 0.008 0.000 0.316 192 F C -0.158 175.669 175.800 0.044 0.000 1.148 192 F CA -1.021 56.968 58.000 -0.018 0.000 0.940 192 F CB 1.676 40.535 39.000 -0.235 0.000 1.214 192 F HN 0.489 nan 8.300 nan 0.000 0.448 193 N N 2.178 120.959 118.700 0.136 0.000 2.716 193 N HA -0.217 4.527 4.740 0.008 0.000 0.250 193 N C 1.093 176.622 175.510 0.031 0.000 1.033 193 N CA 1.344 54.439 53.050 0.075 0.000 0.727 193 N CB -1.034 37.508 38.487 0.091 0.000 0.950 193 N HN 1.234 nan 8.380 nan 0.000 0.541 194 G N -0.964 107.816 108.800 -0.033 0.000 2.162 194 G HA2 -0.360 3.604 3.960 0.008 0.000 0.260 194 G HA3 -0.360 3.604 3.960 0.008 0.000 0.260 194 G C -0.159 174.601 174.900 -0.232 0.000 0.976 194 G CA 0.928 45.958 45.100 -0.117 0.000 0.655 194 G HN 0.693 nan 8.290 nan 0.000 0.533 195 Q N -0.313 119.374 119.800 -0.189 0.000 2.399 195 Q HA 0.553 4.898 4.340 0.008 0.000 0.276 195 Q C -0.708 174.915 176.000 -0.628 0.000 1.098 195 Q CA -0.981 54.566 55.803 -0.427 0.000 0.827 195 Q CB 1.181 29.746 28.738 -0.289 0.000 1.386 195 Q HN 0.433 nan 8.270 nan 0.000 0.443 196 H N 2.109 120.769 119.070 -0.685 0.000 2.473 196 H HA 0.411 4.972 4.556 0.008 0.000 0.327 196 H C -0.976 173.742 175.328 -1.017 0.000 1.105 196 H CA 0.120 55.697 56.048 -0.784 0.000 1.280 196 H CB 0.447 29.433 29.762 -1.292 0.000 1.450 196 H HN 0.412 nan 8.280 nan 0.000 0.492 197 F N 1.455 121.397 119.950 -0.013 0.000 2.603 197 F HA 0.433 4.965 4.527 0.008 0.000 0.317 197 F C 0.430 176.399 175.800 0.281 0.000 1.066 197 F CA -1.126 56.964 58.000 0.151 0.000 0.941 197 F CB 1.584 40.738 39.000 0.256 0.000 1.291 197 F HN 0.351 nan 8.300 nan 0.000 0.472 198 I N 0.397 121.235 120.570 0.446 0.000 2.693 198 I HA 0.705 4.879 4.170 0.008 0.000 0.303 198 I C -1.459 174.712 176.117 0.090 0.000 1.025 198 I CA -1.223 60.252 61.300 0.292 0.000 1.086 198 I CB 2.044 40.149 38.000 0.175 0.000 1.268 198 I HN 0.459 nan 8.210 nan 0.000 0.440 199 L N 4.074 125.220 121.223 -0.128 0.000 2.290 199 L HA 0.479 4.823 4.340 0.008 0.000 0.284 199 L C -0.391 176.222 176.870 -0.428 0.000 1.078 199 L CA 0.551 55.064 54.840 -0.545 0.000 0.815 199 L CB 0.505 42.252 42.059 -0.520 0.000 1.162 199 L HN 0.591 nan 8.230 nan 0.000 0.435 200 E N 4.253 124.057 120.200 -0.660 0.000 2.238 200 E HA 0.389 4.744 4.350 0.008 0.000 0.267 200 E C -1.058 175.258 176.600 -0.473 0.000 0.887 200 E CA -0.577 55.490 56.400 -0.555 0.000 0.769 200 E CB 1.905 31.194 29.700 -0.685 0.000 1.187 200 E HN 0.596 nan 8.360 nan 0.000 0.416 201 E N 0.645 120.723 120.200 -0.204 0.000 2.214 201 E HA 0.527 4.881 4.350 0.008 0.000 0.274 201 E C -0.436 176.190 176.600 0.044 0.000 0.977 201 E CA -0.821 55.536 56.400 -0.072 0.000 0.827 201 E CB 1.743 31.411 29.700 -0.053 0.000 1.130 201 E HN 0.532 nan 8.360 nan 0.000 0.394 202 A N 2.919 125.797 122.820 0.096 0.000 2.507 202 A HA 0.160 4.485 4.320 0.008 0.000 0.235 202 A C -0.078 177.549 177.584 0.071 0.000 1.070 202 A CA 0.329 52.435 52.037 0.116 0.000 0.768 202 A CB 0.063 19.116 19.000 0.088 0.000 1.011 202 A HN 0.552 nan 8.150 nan 0.000 0.502 203 I N 1.571 122.183 120.570 0.070 0.000 2.406 203 I HA 0.431 4.605 4.170 0.008 0.000 0.290 203 I C 0.374 176.516 176.117 0.042 0.000 0.999 203 I CA -0.203 61.127 61.300 0.050 0.000 1.124 203 I CB 1.627 39.659 38.000 0.053 0.000 1.289 203 I HN 0.726 nan 8.210 nan 0.000 0.441 204 R N 3.130 123.652 120.500 0.036 0.000 2.837 204 R HA 0.768 5.113 4.340 0.008 0.000 0.271 204 R C -0.515 175.806 176.300 0.035 0.000 0.993 204 R CA -0.863 55.256 56.100 0.032 0.000 0.931 204 R CB 2.554 32.870 30.300 0.028 0.000 1.206 204 R HN 0.768 nan 8.270 nan 0.000 0.474 205 G N -0.494 108.327 108.800 0.036 0.000 2.630 205 G HA2 0.197 4.161 3.960 0.008 0.000 0.296 205 G HA3 0.197 4.161 3.960 0.008 0.000 0.296 205 G C -0.317 174.605 174.900 0.037 0.000 1.285 205 G CA -0.467 44.663 45.100 0.051 0.000 0.958 205 G HN 0.534 nan 8.290 nan 0.000 0.479 206 D N -0.768 119.681 120.400 0.081 0.000 2.162 206 D HA 0.070 4.714 4.640 0.008 0.000 0.203 206 D C -0.161 176.029 176.300 -0.184 0.000 0.967 206 D CA 1.349 55.365 54.000 0.026 0.000 0.840 206 D CB 0.264 41.199 40.800 0.225 0.000 0.972 206 D HN 0.172 nan 8.370 nan 0.000 0.482 207 F N -0.517 119.453 119.950 0.033 0.000 2.626 207 F HA 0.562 5.093 4.527 0.008 0.000 0.311 207 F C -0.559 175.254 175.800 0.022 0.000 1.088 207 F CA -1.260 56.759 58.000 0.032 0.000 0.949 207 F CB 1.931 40.941 39.000 0.016 0.000 1.322 207 F HN -0.303 nan 8.300 nan 0.000 0.461 208 A N 2.144 125.087 122.820 0.205 0.000 2.374 208 A HA 0.830 5.155 4.320 0.008 0.000 0.305 208 A C -1.744 175.906 177.584 0.111 0.000 1.053 208 A CA -0.580 51.527 52.037 0.116 0.000 0.726 208 A CB 1.077 20.112 19.000 0.058 0.000 1.229 208 A HN 0.718 nan 8.150 nan 0.000 0.431 209 L N 3.329 124.602 121.223 0.083 0.000 2.295 209 L HA 0.522 4.866 4.340 0.008 0.000 0.281 209 L C -0.838 176.076 176.870 0.074 0.000 1.018 209 L CA -0.727 54.152 54.840 0.065 0.000 0.841 209 L CB 1.256 43.336 42.059 0.035 0.000 1.218 209 L HN 0.434 nan 8.230 nan 0.000 0.424 210 V N 2.713 122.681 119.914 0.091 0.000 2.628 210 V HA 0.460 4.585 4.120 0.008 0.000 0.306 210 V C -0.128 176.062 176.094 0.160 0.000 1.045 210 V CA -0.820 61.560 62.300 0.134 0.000 0.905 210 V CB 2.307 34.223 31.823 0.156 0.000 0.997 210 V HN 0.537 nan 8.190 nan 0.000 0.436 211 K N 3.250 123.772 120.400 0.204 0.000 2.206 211 K HA 0.861 5.186 4.320 0.008 0.000 0.264 211 K C -0.623 176.156 176.600 0.297 0.000 0.967 211 K CA -0.038 56.375 56.287 0.210 0.000 0.844 211 K CB 1.433 34.042 32.500 0.183 0.000 1.099 211 K HN 0.927 nan 8.250 nan 0.000 0.441 212 A N 3.192 126.119 122.820 0.178 0.000 2.530 212 A HA 0.532 4.857 4.320 0.008 0.000 0.288 212 A C -0.627 177.002 177.584 0.076 0.000 1.172 212 A CA -0.750 51.316 52.037 0.048 0.000 0.733 212 A CB 0.199 19.000 19.000 -0.332 0.000 1.320 212 A HN 0.864 nan 8.150 nan 0.000 0.419 213 W N 0.652 121.837 121.300 -0.192 0.000 2.587 213 W HA 0.326 4.992 4.660 0.009 0.000 0.307 213 W C 0.120 176.590 176.519 -0.081 0.000 1.138 213 W CA 1.138 58.410 57.345 -0.122 0.000 1.450 213 W CB -0.016 29.395 29.460 -0.081 0.000 1.149 213 W HN 0.563 nan 8.180 nan 0.000 0.512 214 K N -0.564 119.777 120.400 -0.098 0.000 2.443 214 K HA 0.655 4.980 4.320 0.008 0.000 0.251 214 K C -1.292 175.334 176.600 0.043 0.000 0.972 214 K CA -0.793 55.422 56.287 -0.120 0.000 0.833 214 K CB 2.241 34.590 32.500 -0.253 0.000 1.317 214 K HN -0.149 nan 8.250 nan 0.000 0.441 215 A N 1.448 124.338 122.820 0.118 0.000 2.449 215 A HA 0.510 4.834 4.320 0.008 0.000 0.302 215 A C -1.455 176.229 177.584 0.167 0.000 1.048 215 A CA -0.803 51.343 52.037 0.182 0.000 0.708 215 A CB 1.060 20.123 19.000 0.104 0.000 1.274 215 A HN 0.805 nan 8.150 nan 0.000 0.410 216 D N 0.551 121.076 120.400 0.209 0.000 2.437 216 D HA 0.309 4.953 4.640 0.008 0.000 0.259 216 D C 0.574 176.957 176.300 0.139 0.000 1.118 216 D CA -0.473 53.517 54.000 -0.016 0.000 1.017 216 D CB 0.463 41.183 40.800 -0.134 0.000 1.120 216 D HN 0.450 nan 8.370 nan 0.000 0.541 217 Q N -0.644 119.179 119.800 0.038 0.000 2.439 217 Q HA -0.013 4.332 4.340 0.008 0.000 0.211 217 Q C 1.544 177.640 176.000 0.161 0.000 0.978 217 Q CA 1.200 57.014 55.803 0.018 0.000 0.897 217 Q CB -0.108 28.549 28.738 -0.134 0.000 0.956 217 Q HN 0.614 nan 8.270 nan 0.000 0.483 218 A N -0.575 122.355 122.820 0.183 0.000 2.081 218 A HA 0.309 4.634 4.320 0.008 0.000 0.214 218 A C 1.609 179.347 177.584 0.257 0.000 1.158 218 A CA 0.987 53.136 52.037 0.187 0.000 0.724 218 A CB 0.134 19.199 19.000 0.107 0.000 0.826 218 A HN 0.418 nan 8.150 nan 0.000 0.463 219 G N -1.147 107.818 108.800 0.276 0.000 2.205 219 G HA2 -0.169 3.796 3.960 0.008 0.000 0.180 219 G HA3 -0.169 3.796 3.960 0.008 0.000 0.180 219 G C -0.184 174.766 174.900 0.083 0.000 1.004 219 G CA -0.099 45.074 45.100 0.121 0.000 0.670 219 G HN 0.390 nan 8.290 nan 0.000 0.496 220 N N 0.621 119.404 118.700 0.138 0.000 2.518 220 N HA 0.476 5.221 4.740 0.008 0.000 0.266 220 N C 0.329 175.877 175.510 0.063 0.000 1.196 220 N CA 0.883 53.994 53.050 0.102 0.000 0.947 220 N CB 2.286 40.867 38.487 0.157 0.000 1.098 220 N HN 1.008 nan 8.380 nan 0.000 0.450 221 V N -1.350 118.487 119.914 -0.129 0.000 3.040 221 V HA 0.834 4.959 4.120 0.008 0.000 0.312 221 V C -0.060 175.671 176.094 -0.604 0.000 1.115 221 V CA -0.731 61.384 62.300 -0.308 0.000 0.998 221 V CB 1.804 33.450 31.823 -0.294 0.000 1.042 221 V HN 0.803 nan 8.190 nan 0.000 0.433 222 T N 0.374 114.494 114.554 -0.722 0.000 2.916 222 T HA 0.838 5.193 4.350 0.008 0.000 0.292 222 T C -1.028 173.425 174.700 -0.411 0.000 1.064 222 T CA -0.519 61.157 62.100 -0.707 0.000 1.011 222 T CB 1.771 70.115 68.868 -0.873 0.000 1.152 222 T HN 0.679 nan 8.240 nan 0.000 0.510 223 F N -0.075 120.189 119.950 0.523 0.000 2.546 223 F HA 0.658 5.190 4.527 0.008 0.000 0.320 223 F C 0.535 176.486 175.800 0.251 0.000 1.076 223 F CA -1.229 56.964 58.000 0.321 0.000 0.928 223 F CB 2.138 41.223 39.000 0.141 0.000 1.189 223 F HN 0.531 nan 8.300 nan 0.000 0.465 224 R N 3.052 123.619 120.500 0.112 0.000 2.229 224 R HA 0.385 4.729 4.340 0.008 0.000 0.328 224 R C 0.033 176.041 176.300 -0.486 0.000 1.009 224 R CA -0.196 55.653 56.100 -0.418 0.000 0.864 224 R CB 0.521 30.118 30.300 -1.172 0.000 1.085 224 R HN 0.814 nan 8.270 nan 0.000 0.453 225 K N 0.736 120.702 120.400 -0.723 0.000 1.931 225 K HA -0.304 4.020 4.320 0.008 0.000 0.126 225 K C 0.716 176.608 176.600 -1.181 0.000 1.372 225 K CA 1.876 57.222 56.287 -1.569 0.000 0.483 225 K CB -1.380 30.475 32.500 -1.075 0.000 0.562 225 K HN 0.762 nan 8.250 nan 0.000 0.923 226 S N 0.414 115.632 115.700 -0.803 0.000 2.650 226 S HA 0.240 4.714 4.470 0.008 0.000 0.219 226 S C 1.384 175.847 174.600 -0.229 0.000 0.960 226 S CA 0.507 58.486 58.200 -0.368 0.000 0.925 226 S CB 0.417 63.502 63.200 -0.192 0.000 0.775 226 S HN 0.599 nan 8.310 nan 0.000 0.525 227 A N 1.304 123.996 122.820 -0.213 0.000 2.235 227 A HA 0.231 4.556 4.320 0.008 0.000 0.208 227 A C 2.086 179.640 177.584 -0.050 0.000 1.172 227 A CA 0.430 52.422 52.037 -0.075 0.000 0.786 227 A CB -0.494 18.468 19.000 -0.064 0.000 0.804 227 A HN 0.577 nan 8.150 nan 0.000 0.479 228 R N 0.730 121.131 120.500 -0.166 0.000 2.056 228 R HA -0.141 4.204 4.340 0.008 0.000 0.227 228 R C 1.693 177.788 176.300 -0.342 0.000 1.149 228 R CA 1.723 57.603 56.100 -0.366 0.000 0.937 228 R CB -0.424 29.659 30.300 -0.361 0.000 0.835 228 R HN 0.707 nan 8.270 nan 0.000 0.430 229 N N -0.928 117.624 118.700 -0.247 0.000 1.109 229 N HA -0.362 4.382 4.740 0.008 0.000 0.142 229 N C 0.903 176.270 175.510 -0.238 0.000 0.434 229 N CA 2.568 55.508 53.050 -0.183 0.000 0.976 229 N CB -1.470 37.068 38.487 0.085 0.000 1.494 229 N HN 0.213 nan 8.380 nan 0.000 0.474 230 F N 0.171 120.086 119.950 -0.059 0.000 2.710 230 F HA 0.223 4.755 4.527 0.007 0.000 0.298 230 F C 2.170 177.902 175.800 -0.114 0.000 1.137 230 F CA 0.210 58.176 58.000 -0.057 0.000 1.444 230 F CB -0.357 38.650 39.000 0.013 0.000 1.111 230 F HN 0.262 nan 8.300 nan 0.000 0.580 231 N N 0.738 119.424 118.700 -0.023 0.000 2.104 231 N HA -0.211 4.533 4.740 0.008 0.000 0.190 231 N C 2.110 177.504 175.510 -0.193 0.000 1.024 231 N CA 1.278 54.283 53.050 -0.075 0.000 0.853 231 N CB -0.562 37.883 38.487 -0.070 0.000 1.008 231 N HN 0.344 nan 8.380 nan 0.000 0.424 232 L N 2.054 122.979 121.223 -0.497 0.000 1.976 232 L HA -0.078 4.267 4.340 0.008 0.000 0.209 232 L C -0.705 176.048 176.870 -0.196 0.000 1.071 232 L CA 1.684 56.299 54.840 -0.375 0.000 0.746 232 L CB -1.213 40.572 42.059 -0.457 0.000 0.890 232 L HN 0.114 nan 8.230 nan 0.000 0.432 233 P HA -0.182 nan 4.420 nan 0.000 0.219 233 P C 1.785 179.023 177.300 -0.105 0.000 1.150 233 P CA 1.722 64.725 63.100 -0.161 0.000 0.814 233 P CB -0.119 31.493 31.700 -0.146 0.000 0.787 234 M N -0.978 118.604 119.600 -0.030 0.000 2.279 234 M HA -0.116 4.368 4.480 0.008 0.000 0.264 234 M C 2.335 178.617 176.300 -0.029 0.000 1.062 234 M CA 1.129 56.435 55.300 0.010 0.000 1.099 234 M CB -0.974 31.666 32.600 0.067 0.000 1.394 234 M HN 0.028 nan 8.290 nan 0.000 0.426 235 C N 0.977 120.242 119.300 -0.058 0.000 2.449 235 C HA -0.088 4.377 4.460 0.008 0.000 0.283 235 C C 2.095 176.978 174.990 -0.179 0.000 1.453 235 C CA 1.044 60.019 59.018 -0.071 0.000 1.779 235 C CB -0.929 26.811 27.740 0.000 0.000 1.779 235 C HN 0.442 nan 8.230 nan 0.000 0.546 236 K N -0.417 119.825 120.400 -0.264 0.000 2.373 236 K HA 0.268 4.592 4.320 0.008 0.000 0.200 236 K C 1.054 177.605 176.600 -0.082 0.000 1.054 236 K CA 0.535 56.632 56.287 -0.317 0.000 1.065 236 K CB 0.358 32.485 32.500 -0.621 0.000 0.886 236 K HN 0.262 nan 8.250 nan 0.000 0.546 237 A N 1.207 123.996 122.820 -0.052 0.000 2.545 237 A HA 0.572 4.896 4.320 0.008 0.000 0.277 237 A C 0.120 177.715 177.584 0.018 0.000 1.301 237 A CA -0.276 51.759 52.037 -0.004 0.000 0.935 237 A CB 0.242 19.240 19.000 -0.004 0.000 1.093 237 A HN 0.180 nan 8.150 nan 0.000 0.519 238 A N -0.866 121.968 122.820 0.023 0.000 2.454 238 A HA 0.646 4.971 4.320 0.008 0.000 0.302 238 A C 0.566 178.171 177.584 0.035 0.000 1.079 238 A CA -0.091 51.956 52.037 0.016 0.000 0.731 238 A CB 0.951 19.958 19.000 0.011 0.000 1.299 238 A HN 0.140 nan 8.150 nan 0.000 0.413 239 E N 0.615 120.790 120.200 -0.042 0.000 2.058 239 E HA -0.071 4.284 4.350 0.008 0.000 0.194 239 E C 0.218 176.795 176.600 -0.038 0.000 0.997 239 E CA 2.225 58.583 56.400 -0.071 0.000 0.801 239 E CB 0.088 29.682 29.700 -0.176 0.000 0.746 239 E HN 0.598 nan 8.360 nan 0.000 0.450 240 T N 0.616 115.062 114.554 -0.181 0.000 2.847 240 T HA 0.359 4.714 4.350 0.008 0.000 0.291 240 T C -0.908 173.822 174.700 0.051 0.000 0.998 240 T CA -0.420 61.677 62.100 -0.005 0.000 0.967 240 T CB 1.425 70.013 68.868 -0.467 0.000 0.954 240 T HN 0.173 nan 8.240 nan 0.000 0.441 241 T N 0.360 114.955 114.554 0.069 0.000 2.829 241 T HA 0.715 5.069 4.350 0.008 0.000 0.282 241 T C -0.291 174.414 174.700 0.008 0.000 0.990 241 T CA -0.725 61.337 62.100 -0.062 0.000 1.028 241 T CB 1.008 69.725 68.868 -0.253 0.000 0.951 241 T HN 0.276 nan 8.240 nan 0.000 0.460 242 V N 3.705 123.649 119.914 0.050 0.000 2.407 242 V HA 0.509 4.634 4.120 0.008 0.000 0.291 242 V C -0.236 175.874 176.094 0.026 0.000 1.018 242 V CA -0.840 61.477 62.300 0.028 0.000 0.842 242 V CB 1.506 33.347 31.823 0.029 0.000 0.996 242 V HN 0.907 nan 8.190 nan 0.000 0.426 243 V N 4.959 124.879 119.914 0.010 0.000 2.513 243 V HA 0.535 4.659 4.120 0.008 0.000 0.299 243 V C -0.057 176.064 176.094 0.045 0.000 1.035 243 V CA -0.632 61.689 62.300 0.035 0.000 0.889 243 V CB 1.891 33.720 31.823 0.010 0.000 0.988 243 V HN 1.053 nan 8.190 nan 0.000 0.440 244 E N 4.167 124.422 120.200 0.093 0.000 2.187 244 E HA 0.741 5.096 4.350 0.008 0.000 0.268 244 E C -0.990 175.708 176.600 0.164 0.000 0.896 244 E CA -0.761 55.724 56.400 0.141 0.000 0.766 244 E CB 2.286 32.095 29.700 0.182 0.000 1.142 244 E HN 0.510 nan 8.360 nan 0.000 0.408 245 V N 0.178 120.193 119.914 0.168 0.000 2.960 245 V HA 0.377 4.502 4.120 0.008 0.000 0.315 245 V C 0.527 176.732 176.094 0.185 0.000 1.087 245 V CA -0.766 61.611 62.300 0.128 0.000 0.982 245 V CB 1.712 33.577 31.823 0.071 0.000 1.039 245 V HN 0.868 nan 8.190 nan 0.000 0.437 246 E N 0.793 121.038 120.200 0.076 0.000 2.285 246 E HA 0.103 4.457 4.350 0.008 0.000 0.194 246 E C 0.435 177.123 176.600 0.147 0.000 0.997 246 E CA 1.003 57.456 56.400 0.089 0.000 0.845 246 E CB 0.463 30.143 29.700 -0.033 0.000 0.782 246 E HN 0.852 nan 8.360 nan 0.000 0.491 247 E N 0.386 120.635 120.200 0.082 0.000 2.352 247 E HA 0.294 4.648 4.350 0.008 0.000 0.280 247 E C -1.538 175.067 176.600 0.008 0.000 0.930 247 E CA -0.433 55.989 56.400 0.036 0.000 0.765 247 E CB 1.399 31.088 29.700 -0.019 0.000 1.219 247 E HN -0.074 nan 8.360 nan 0.000 0.434 248 I N 4.859 125.444 120.570 0.024 0.000 2.339 248 I HA 0.346 4.520 4.170 0.008 0.000 0.290 248 I C 0.244 176.330 176.117 -0.053 0.000 0.994 248 I CA -0.874 60.444 61.300 0.029 0.000 1.191 248 I CB 1.374 39.434 38.000 0.100 0.000 1.343 248 I HN 0.434 nan 8.210 nan 0.000 0.458 249 V N 2.353 122.190 119.914 -0.127 0.000 3.234 249 V HA 0.590 4.715 4.120 0.008 0.000 0.317 249 V C -0.310 175.654 176.094 -0.217 0.000 1.147 249 V CA -0.864 61.308 62.300 -0.213 0.000 1.037 249 V CB 1.697 33.302 31.823 -0.364 0.000 1.148 249 V HN 0.458 nan 8.190 nan 0.000 0.455 250 D N 0.567 120.829 120.400 -0.230 0.000 2.313 250 D HA 0.436 5.080 4.640 0.008 0.000 0.247 250 D C 0.202 176.363 176.300 -0.231 0.000 1.094 250 D CA -0.038 53.848 54.000 -0.190 0.000 0.925 250 D CB 1.506 42.216 40.800 -0.149 0.000 1.188 250 D HN 0.551 nan 8.370 nan 0.000 0.430 251 I N 0.870 121.348 120.570 -0.153 0.000 2.752 251 I HA 0.089 4.264 4.170 0.008 0.000 0.289 251 I C 1.633 177.671 176.117 -0.131 0.000 1.197 251 I CA 0.838 62.064 61.300 -0.123 0.000 1.432 251 I CB 0.270 38.234 38.000 -0.060 0.000 1.359 251 I HN 0.738 nan 8.210 nan 0.000 0.571 252 G N 3.491 112.211 108.800 -0.133 0.000 2.238 252 G HA2 -0.266 3.699 3.960 0.008 0.000 0.217 252 G HA3 -0.266 3.699 3.960 0.008 0.000 0.217 252 G C 0.959 175.770 174.900 -0.149 0.000 0.996 252 G CA 0.272 45.311 45.100 -0.102 0.000 0.632 252 G HN 0.547 nan 8.290 nan 0.000 0.503 253 S N 0.043 115.560 115.700 -0.304 0.000 2.423 253 S HA 0.271 4.746 4.470 0.008 0.000 0.231 253 S C 0.625 175.063 174.600 -0.271 0.000 1.014 253 S CA 0.745 58.720 58.200 -0.374 0.000 0.965 253 S CB -0.116 62.712 63.200 -0.621 0.000 0.785 253 S HN 0.380 nan 8.310 nan 0.000 0.495 254 F N 1.364 121.265 119.950 -0.083 0.000 2.422 254 F HA 0.647 5.178 4.527 0.008 0.000 0.333 254 F C 0.527 176.297 175.800 -0.049 0.000 1.095 254 F CA -2.301 55.649 58.000 -0.083 0.000 1.038 254 F CB 0.359 39.297 39.000 -0.104 0.000 1.156 254 F HN -0.089 nan 8.300 nan 0.000 0.483 255 A N 4.413 127.335 122.820 0.170 0.000 2.440 255 A HA 0.390 4.715 4.320 0.008 0.000 0.251 255 A C -1.685 175.953 177.584 0.091 0.000 1.089 255 A CA -1.108 50.985 52.037 0.094 0.000 0.779 255 A CB -0.020 19.023 19.000 0.072 0.000 1.022 255 A HN 0.611 nan 8.150 nan 0.000 0.492 256 P HA -0.159 nan 4.420 nan 0.000 0.217 256 P C 0.726 178.053 177.300 0.045 0.000 1.148 256 P CA 1.416 64.551 63.100 0.058 0.000 0.828 256 P CB 0.246 31.972 31.700 0.043 0.000 0.783 257 E N -0.839 119.388 120.200 0.044 0.000 2.274 257 E HA -0.087 4.267 4.350 0.008 0.000 0.194 257 E C 0.747 177.378 176.600 0.052 0.000 0.996 257 E CA 0.839 57.265 56.400 0.044 0.000 0.840 257 E CB -0.506 29.219 29.700 0.042 0.000 0.772 257 E HN 0.324 nan 8.360 nan 0.000 0.491 258 D N -0.070 120.354 120.400 0.039 0.000 2.427 258 D HA 0.112 4.757 4.640 0.008 0.000 0.224 258 D C -0.174 176.045 176.300 -0.134 0.000 1.157 258 D CA -0.012 54.003 54.000 0.025 0.000 0.828 258 D CB 0.307 41.130 40.800 0.038 0.000 0.974 258 D HN 0.188 nan 8.370 nan 0.000 0.498 259 I N 1.113 121.617 120.570 -0.111 0.000 2.322 259 I HA 0.050 4.224 4.170 0.008 0.000 0.292 259 I C 1.496 177.589 176.117 -0.040 0.000 1.060 259 I CA -0.253 60.903 61.300 -0.241 0.000 1.309 259 I CB 0.654 38.592 38.000 -0.103 0.000 1.415 259 I HN -0.021 nan 8.210 nan 0.000 0.492 260 H N 6.046 125.072 119.070 -0.073 0.000 2.357 260 H HA 0.099 4.660 4.556 0.008 0.000 0.301 260 H C 0.092 175.515 175.328 0.157 0.000 1.082 260 H CA 0.523 56.628 56.048 0.095 0.000 1.342 260 H CB 0.453 30.373 29.762 0.264 0.000 1.389 260 H HN 0.333 nan 8.280 nan 0.000 0.511 261 I N 1.458 122.157 120.570 0.216 0.000 2.439 261 I HA 0.236 4.410 4.170 0.008 0.000 0.283 261 I C -2.559 173.656 176.117 0.162 0.000 1.023 261 I CA -2.818 58.629 61.300 0.245 0.000 1.100 261 I CB 1.742 39.901 38.000 0.266 0.000 1.238 261 I HN -0.197 nan 8.210 nan 0.000 0.445 262 P HA 0.138 nan 4.420 nan 0.000 0.271 262 P C 0.830 178.166 177.300 0.060 0.000 1.218 262 P CA -0.368 62.783 63.100 0.085 0.000 0.780 262 P CB 0.641 32.357 31.700 0.027 0.000 0.901 263 K N 3.562 123.982 120.400 0.034 0.000 2.173 263 K HA -0.208 4.116 4.320 0.008 0.000 0.207 263 K C 1.649 178.254 176.600 0.009 0.000 1.046 263 K CA 1.672 57.980 56.287 0.035 0.000 0.929 263 K CB -1.003 31.529 32.500 0.052 0.000 0.720 263 K HN 0.362 nan 8.250 nan 0.000 0.453 264 I N 0.520 121.041 120.570 -0.081 0.000 2.423 264 I HA -0.276 3.898 4.170 0.008 0.000 0.254 264 I C 1.176 177.232 176.117 -0.103 0.000 1.151 264 I CA 1.321 62.536 61.300 -0.142 0.000 1.421 264 I CB 0.050 37.868 38.000 -0.302 0.000 1.079 264 I HN 0.148 nan 8.210 nan 0.000 0.431 265 Y N -0.282 120.034 120.300 0.027 0.000 2.500 265 Y HA 0.196 4.751 4.550 0.008 0.000 0.270 265 Y C 0.773 176.534 175.900 -0.232 0.000 1.134 265 Y CA -0.134 57.930 58.100 -0.060 0.000 1.293 265 Y CB -0.092 38.348 38.460 -0.034 0.000 1.063 265 Y HN -0.180 nan 8.280 nan 0.000 0.534 266 V N 1.211 121.137 119.914 0.020 0.000 2.320 266 V HA 0.086 4.211 4.120 0.008 0.000 0.265 266 V C 0.390 176.498 176.094 0.022 0.000 1.048 266 V CA -0.275 61.994 62.300 -0.052 0.000 0.865 266 V CB 0.128 31.936 31.823 -0.024 0.000 1.043 266 V HN 0.470 nan 8.190 nan 0.000 0.474 267 H N 3.249 122.339 119.070 0.033 0.000 2.384 267 H HA 0.235 4.796 4.556 0.008 0.000 0.300 267 H C 0.742 176.099 175.328 0.048 0.000 1.057 267 H CA 0.401 56.469 56.048 0.034 0.000 1.370 267 H CB 0.425 30.205 29.762 0.031 0.000 1.417 267 H HN 0.408 nan 8.280 nan 0.000 0.527 268 R N 0.918 121.499 120.500 0.134 0.000 2.561 268 R HA 0.436 4.780 4.340 0.008 0.000 0.297 268 R C -1.829 174.462 176.300 -0.014 0.000 0.969 268 R CA -0.877 55.289 56.100 0.110 0.000 0.879 268 R CB 2.710 33.005 30.300 -0.007 0.000 1.178 268 R HN -0.013 nan 8.270 nan 0.000 0.445 269 L N 2.718 123.913 121.223 -0.047 0.000 2.386 269 L HA 0.680 5.025 4.340 0.008 0.000 0.271 269 L C -1.488 175.398 176.870 0.027 0.000 0.993 269 L CA -0.800 53.957 54.840 -0.137 0.000 0.819 269 L CB 2.219 43.983 42.059 -0.493 0.000 1.294 269 L HN 0.437 nan 8.230 nan 0.000 0.414 270 V N 4.616 124.567 119.914 0.062 0.000 2.888 270 V HA 0.496 4.620 4.120 0.008 0.000 0.309 270 V C -1.013 175.166 176.094 0.141 0.000 1.114 270 V CA -0.816 61.563 62.300 0.133 0.000 0.940 270 V CB 2.203 34.086 31.823 0.099 0.000 1.021 270 V HN 0.879 nan 8.190 nan 0.000 0.426 271 K N 4.485 124.983 120.400 0.164 0.000 2.285 271 K HA 0.570 4.894 4.320 0.008 0.000 0.286 271 K C 0.350 177.049 176.600 0.164 0.000 1.072 271 K CA 0.055 56.449 56.287 0.178 0.000 0.913 271 K CB 0.847 33.445 32.500 0.163 0.000 1.067 271 K HN 0.994 nan 8.250 nan 0.000 0.479 272 G N 3.507 112.453 108.800 0.243 0.000 2.305 272 G HA2 -0.069 3.896 3.960 0.008 0.000 0.243 272 G HA3 -0.069 3.896 3.960 0.008 0.000 0.243 272 G C 0.391 175.236 174.900 -0.092 0.000 1.288 272 G CA -0.221 44.897 45.100 0.030 0.000 0.901 272 G HN 0.893 nan 8.290 nan 0.000 0.516 273 E N 1.150 121.259 120.200 -0.150 0.000 2.031 273 E HA -0.086 4.269 4.350 0.008 0.000 0.193 273 E C 1.079 177.595 176.600 -0.140 0.000 0.994 273 E CA 1.294 57.637 56.400 -0.095 0.000 0.800 273 E CB 0.063 29.721 29.700 -0.070 0.000 0.752 273 E HN 0.718 nan 8.360 nan 0.000 0.447 274 K N -0.871 119.349 120.400 -0.299 0.000 2.477 274 K HA 0.388 4.713 4.320 0.008 0.000 0.255 274 K C -1.644 174.675 176.600 -0.468 0.000 0.952 274 K CA -0.725 55.428 56.287 -0.223 0.000 0.826 274 K CB 1.508 33.956 32.500 -0.086 0.000 1.331 274 K HN -0.170 nan 8.250 nan 0.000 0.437 275 Y N 0.663 121.017 120.300 0.090 0.000 2.322 275 Y HA 0.226 4.780 4.550 0.007 0.000 0.324 275 Y C -0.988 174.968 175.900 0.093 0.000 1.027 275 Y CA -0.692 57.472 58.100 0.106 0.000 1.179 275 Y CB 2.283 40.803 38.460 0.099 0.000 1.136 275 Y HN 0.594 nan 8.280 nan 0.000 0.449 276 E N 3.756 124.109 120.200 0.255 0.000 2.105 276 E HA 0.193 4.547 4.350 0.008 0.000 0.285 276 E C -0.471 176.197 176.600 0.114 0.000 1.055 276 E CA -0.544 55.928 56.400 0.121 0.000 0.843 276 E CB 0.648 30.358 29.700 0.018 0.000 1.067 276 E HN 0.469 nan 8.360 nan 0.000 0.398 277 K N 3.808 124.252 120.400 0.073 0.000 2.989 277 K HA 0.069 4.393 4.320 0.008 0.000 0.264 277 K C -0.054 176.542 176.600 -0.007 0.000 1.228 277 K CA 0.005 56.321 56.287 0.048 0.000 1.186 277 K CB -0.119 32.399 32.500 0.030 0.000 1.409 277 K HN 0.155 nan 8.250 nan 0.000 0.271 278 R N 1.561 122.032 120.500 -0.049 0.000 2.522 278 R HA 0.105 4.450 4.340 0.008 0.000 0.284 278 R C 0.154 176.426 176.300 -0.046 0.000 1.032 278 R CA 0.065 56.084 56.100 -0.134 0.000 1.049 278 R CB 0.431 30.503 30.300 -0.381 0.000 0.956 278 R HN 0.211 nan 8.270 nan 0.000 0.422 279 I N 2.491 123.030 120.570 -0.051 0.000 2.377 279 I HA 0.087 4.262 4.170 0.008 0.000 0.293 279 I C 1.403 177.509 176.117 -0.019 0.000 0.987 279 I CA -0.125 61.164 61.300 -0.018 0.000 1.185 279 I CB 1.542 39.530 38.000 -0.020 0.000 1.341 279 I HN 0.736 nan 8.210 nan 0.000 0.455 280 E N 5.535 125.739 120.200 0.007 0.000 2.060 280 E HA 0.073 4.428 4.350 0.008 0.000 0.189 280 E C 0.097 176.697 176.600 0.001 0.000 0.974 280 E CA 0.707 57.112 56.400 0.009 0.000 0.808 280 E CB 0.559 30.274 29.700 0.026 0.000 0.768 280 E HN 0.464 nan 8.360 nan 0.000 0.453 281 R N 1.049 121.550 120.500 0.003 0.000 2.472 281 R HA 0.318 4.663 4.340 0.008 0.000 0.294 281 R C -1.065 175.215 176.300 -0.033 0.000 1.243 281 R CA -0.346 55.746 56.100 -0.014 0.000 1.023 281 R CB 1.328 31.625 30.300 -0.005 0.000 1.157 281 R HN 0.113 nan 8.270 nan 0.000 0.530 282 L N 2.620 123.816 121.223 -0.046 0.000 2.456 282 L HA 0.143 4.487 4.340 0.008 0.000 0.277 282 L C -0.361 176.441 176.870 -0.113 0.000 1.124 282 L CA 0.461 55.267 54.840 -0.058 0.000 0.880 282 L CB 0.808 42.839 42.059 -0.047 0.000 1.192 282 L HN 0.572 nan 8.230 nan 0.000 0.463 283 S N 3.600 119.208 115.700 -0.154 0.000 2.601 283 S HA 0.460 4.934 4.470 0.008 0.000 0.312 283 S C -0.335 174.122 174.600 -0.239 0.000 1.107 283 S CA -0.571 57.413 58.200 -0.360 0.000 1.129 283 S CB 1.376 64.159 63.200 -0.696 0.000 0.982 283 S HN 0.276 nan 8.310 nan 0.000 0.469 284 V N 4.409 124.223 119.914 -0.167 0.000 2.581 284 V HA 0.577 4.702 4.120 0.008 0.000 0.303 284 V C 0.335 176.425 176.094 -0.007 0.000 1.041 284 V CA -1.150 61.125 62.300 -0.041 0.000 0.907 284 V CB 1.735 33.540 31.823 -0.029 0.000 0.994 284 V HN 0.875 nan 8.190 nan 0.000 0.442 285 R N 3.018 123.560 120.500 0.071 0.000 2.607 285 R HA 0.717 5.062 4.340 0.008 0.000 0.261 285 R C -0.651 175.670 176.300 0.035 0.000 1.051 285 R CA -1.001 55.147 56.100 0.080 0.000 1.110 285 R CB 1.080 31.448 30.300 0.113 0.000 1.158 285 R HN 0.381 nan 8.270 nan 0.000 0.543 301 V N 0.744 120.596 119.914 -0.104 0.000 2.379 301 V HA -0.083 4.042 4.120 0.008 0.000 0.245 301 V C 2.169 178.192 176.094 -0.119 0.000 1.044 301 V CA 1.565 63.779 62.300 -0.143 0.000 1.036 301 V CB -0.301 31.460 31.823 -0.102 0.000 0.664 301 V HN 0.547 nan 8.190 nan 0.000 0.453 302 R N 0.339 120.798 120.500 -0.067 0.000 2.096 302 R HA -0.163 4.181 4.340 0.008 0.000 0.235 302 R C 2.267 178.537 176.300 -0.050 0.000 1.127 302 R CA 1.740 57.817 56.100 -0.039 0.000 0.968 302 R CB -0.448 29.850 30.300 -0.004 0.000 0.861 302 R HN 0.687 nan 8.270 nan 0.000 0.440 303 E N -0.173 119.988 120.200 -0.065 0.000 2.106 303 E HA -0.196 4.158 4.350 0.008 0.000 0.192 303 E C 1.790 178.303 176.600 -0.145 0.000 0.984 303 E CA 1.015 57.362 56.400 -0.089 0.000 0.806 303 E CB 0.095 29.756 29.700 -0.065 0.000 0.750 303 E HN 0.255 nan 8.360 nan 0.000 0.458 304 R N 0.307 120.703 120.500 -0.175 0.000 2.082 304 R HA -0.147 4.197 4.340 0.008 0.000 0.234 304 R C 2.570 178.787 176.300 -0.137 0.000 1.136 304 R CA 1.947 57.917 56.100 -0.216 0.000 0.935 304 R CB -0.557 29.460 30.300 -0.472 0.000 0.842 304 R HN 0.286 nan 8.270 nan 0.000 0.430 305 I N 0.800 121.296 120.570 -0.124 0.000 2.151 305 I HA -0.328 3.846 4.170 0.008 0.000 0.243 305 I C 2.398 178.482 176.117 -0.055 0.000 1.080 305 I CA 1.525 62.786 61.300 -0.066 0.000 1.339 305 I CB -0.553 37.421 38.000 -0.044 0.000 1.039 305 I HN 0.162 nan 8.210 nan 0.000 0.409 306 I N 0.957 121.487 120.570 -0.066 0.000 2.127 306 I HA -0.299 3.875 4.170 0.008 0.000 0.241 306 I C 2.505 178.538 176.117 -0.140 0.000 1.075 306 I CA 1.705 62.974 61.300 -0.053 0.000 1.334 306 I CB -0.433 37.547 38.000 -0.033 0.000 1.040 306 I HN 0.177 nan 8.210 nan 0.000 0.405 307 K N 0.034 120.272 120.400 -0.270 0.000 2.280 307 K HA -0.205 4.120 4.320 0.008 0.000 0.202 307 K C 2.162 178.706 176.600 -0.094 0.000 1.047 307 K CA 0.935 57.048 56.287 -0.291 0.000 0.942 307 K CB -0.094 32.243 32.500 -0.272 0.000 0.739 307 K HN 0.095 nan 8.250 nan 0.000 0.457 308 R N 0.915 121.386 120.500 -0.048 0.000 2.128 308 R HA 0.127 4.471 4.340 0.008 0.000 0.211 308 R C 1.836 178.116 176.300 -0.032 0.000 1.067 308 R CA 1.200 57.295 56.100 -0.008 0.000 1.010 308 R CB -0.464 29.849 30.300 0.023 0.000 0.922 308 R HN 0.084 nan 8.270 nan 0.000 0.457 309 A N 0.482 123.272 122.820 -0.050 0.000 2.015 309 A HA 0.058 4.382 4.320 0.008 0.000 0.219 309 A C 2.209 179.688 177.584 -0.175 0.000 1.163 309 A CA 1.438 53.407 52.037 -0.115 0.000 0.646 309 A CB -0.789 18.157 19.000 -0.090 0.000 0.806 309 A HN 0.431 nan 8.150 nan 0.000 0.448 310 A N -0.397 122.432 122.820 0.015 0.000 2.067 310 A HA 0.067 4.392 4.320 0.008 0.000 0.219 310 A C 1.941 179.636 177.584 0.186 0.000 1.158 310 A CA 1.156 53.337 52.037 0.241 0.000 0.661 310 A CB -0.446 18.731 19.000 0.295 0.000 0.801 310 A HN 0.480 nan 8.150 nan 0.000 0.452 311 L N -0.698 120.552 121.223 0.045 0.000 2.492 311 L HA -0.030 4.315 4.340 0.008 0.000 0.223 311 L C 2.098 178.965 176.870 -0.006 0.000 1.132 311 L CA 0.346 55.210 54.840 0.039 0.000 0.850 311 L CB -0.240 41.829 42.059 0.017 0.000 0.966 311 L HN 0.282 nan 8.230 nan 0.000 0.454 312 E N 0.254 120.381 120.200 -0.121 0.000 2.152 312 E HA -0.040 4.315 4.350 0.008 0.000 0.192 312 E C 0.417 176.944 176.600 -0.123 0.000 0.983 312 E CA 0.389 56.689 56.400 -0.167 0.000 0.818 312 E CB -0.050 29.477 29.700 -0.290 0.000 0.758 312 E HN 0.184 nan 8.360 nan 0.000 0.467 313 F N 1.908 121.867 119.950 0.015 0.000 2.602 313 F HA 0.005 4.535 4.527 0.006 0.000 0.367 313 F C 1.069 176.864 175.800 -0.008 0.000 1.126 313 F CA 0.623 58.624 58.000 0.001 0.000 1.321 313 F CB 0.307 39.305 39.000 -0.004 0.000 1.094 313 F HN -0.213 nan 8.300 nan 0.000 0.594 314 E N 0.479 120.793 120.200 0.190 0.000 2.317 314 E HA 0.179 4.533 4.350 0.008 0.000 0.270 314 E C -1.513 175.111 176.600 0.039 0.000 0.885 314 E CA -1.165 55.288 56.400 0.088 0.000 0.760 314 E CB 1.901 31.638 29.700 0.062 0.000 1.227 314 E HN 0.473 nan 8.360 nan 0.000 0.434 315 D N 0.144 120.549 120.400 0.009 0.000 2.458 315 D HA 0.198 4.843 4.640 0.008 0.000 0.243 315 D C 0.912 177.189 176.300 -0.039 0.000 1.146 315 D CA 1.848 55.828 54.000 -0.033 0.000 0.877 315 D CB 0.356 41.142 40.800 -0.023 0.000 1.176 315 D HN 0.628 nan 8.370 nan 0.000 0.461 316 G N 3.323 112.067 108.800 -0.093 0.000 2.148 316 G HA2 -0.314 3.650 3.960 0.008 0.000 0.254 316 G HA3 -0.314 3.650 3.960 0.008 0.000 0.254 316 G C 0.405 175.228 174.900 -0.128 0.000 0.981 316 G CA 0.357 45.410 45.100 -0.079 0.000 0.670 316 G HN 0.620 nan 8.290 nan 0.000 0.528 317 M N 0.290 119.819 119.600 -0.118 0.000 2.235 317 M HA 0.649 5.133 4.480 0.008 0.000 0.351 317 M C -0.507 175.697 176.300 -0.160 0.000 1.178 317 M CA -0.574 54.695 55.300 -0.053 0.000 1.143 317 M CB 0.510 33.145 32.600 0.058 0.000 1.530 317 M HN 0.088 nan 8.290 nan 0.000 0.461 318 Y N 3.284 123.666 120.300 0.137 0.000 2.342 318 Y HA 0.656 5.211 4.550 0.008 0.000 0.338 318 Y C 0.015 175.983 175.900 0.113 0.000 0.965 318 Y CA -0.425 57.754 58.100 0.131 0.000 1.159 318 Y CB 1.427 39.940 38.460 0.089 0.000 1.157 318 Y HN 0.768 nan 8.280 nan 0.000 0.486 319 A N 3.327 126.284 122.820 0.228 0.000 2.498 319 A HA 0.609 4.934 4.320 0.008 0.000 0.298 319 A C -1.337 176.343 177.584 0.159 0.000 1.075 319 A CA -0.885 51.271 52.037 0.199 0.000 0.714 319 A CB 1.644 20.804 19.000 0.267 0.000 1.299 319 A HN 0.637 nan 8.150 nan 0.000 0.407 320 N N 1.516 120.295 118.700 0.132 0.000 2.399 320 N HA 0.560 5.304 4.740 0.008 0.000 0.280 320 N C -1.708 173.865 175.510 0.105 0.000 1.008 320 N CA -0.216 52.890 53.050 0.094 0.000 0.894 320 N CB 0.985 39.510 38.487 0.062 0.000 1.273 320 N HN 0.598 nan 8.380 nan 0.000 0.486 321 L N 1.865 123.150 121.223 0.104 0.000 2.341 321 L HA 0.571 4.915 4.340 0.008 0.000 0.278 321 L C 1.178 178.101 176.870 0.088 0.000 1.005 321 L CA -1.219 53.690 54.840 0.115 0.000 0.818 321 L CB 1.868 44.023 42.059 0.159 0.000 1.259 321 L HN 0.439 nan 8.230 nan 0.000 0.418 322 G N 2.696 111.548 108.800 0.085 0.000 2.467 322 G HA2 0.461 4.426 3.960 0.008 0.000 0.257 322 G HA3 0.461 4.426 3.960 0.008 0.000 0.257 322 G C 0.146 175.095 174.900 0.082 0.000 1.227 322 G CA -0.672 44.475 45.100 0.078 0.000 0.835 322 G HN 0.696 nan 8.290 nan 0.000 0.556 323 I N 0.272 120.891 120.570 0.081 0.000 2.815 323 I HA 0.517 4.691 4.170 0.008 0.000 0.291 323 I C 0.916 177.085 176.117 0.087 0.000 1.209 323 I CA 0.455 61.810 61.300 0.093 0.000 1.431 323 I CB 0.249 38.306 38.000 0.096 0.000 1.351 323 I HN 1.068 nan 8.210 nan 0.000 0.585 324 G N 4.478 113.337 108.800 0.098 0.000 2.358 324 G HA2 -0.212 3.752 3.960 0.008 0.000 0.198 324 G HA3 -0.212 3.752 3.960 0.008 0.000 0.198 324 G C 0.199 175.158 174.900 0.097 0.000 1.220 324 G CA -0.080 45.072 45.100 0.088 0.000 1.187 324 G HN 0.975 nan 8.290 nan 0.000 0.544 325 I N 1.796 122.417 120.570 0.085 0.000 2.264 325 I HA -0.027 4.148 4.170 0.008 0.000 0.248 325 I C 0.009 176.193 176.117 0.112 0.000 1.111 325 I CA 2.523 63.878 61.300 0.092 0.000 1.382 325 I CB -0.645 37.392 38.000 0.061 0.000 1.060 325 I HN 0.358 nan 8.210 nan 0.000 0.418 326 P HA -0.179 nan 4.420 nan 0.000 0.215 326 P C 1.878 179.284 177.300 0.178 0.000 1.157 326 P CA 1.231 64.402 63.100 0.119 0.000 0.863 326 P CB -0.119 31.637 31.700 0.094 0.000 0.787 327 L N -0.789 120.517 121.223 0.138 0.000 2.027 327 L HA -0.110 4.234 4.340 0.008 0.000 0.206 327 L C 2.189 179.126 176.870 0.112 0.000 1.074 327 L CA 1.719 56.627 54.840 0.112 0.000 0.745 327 L CB -1.465 40.642 42.059 0.080 0.000 0.898 327 L HN -0.140 nan 8.230 nan 0.000 0.433 328 L N -0.448 120.856 121.223 0.136 0.000 2.127 328 L HA -0.219 4.125 4.340 0.008 0.000 0.211 328 L C 2.586 179.605 176.870 0.248 0.000 1.089 328 L CA 1.123 56.057 54.840 0.157 0.000 0.757 328 L CB -0.919 41.250 42.059 0.182 0.000 0.899 328 L HN 0.406 nan 8.230 nan 0.000 0.434 329 A N -0.046 122.960 122.820 0.309 0.000 2.015 329 A HA -0.178 4.147 4.320 0.008 0.000 0.219 329 A C 2.480 180.353 177.584 0.480 0.000 1.163 329 A CA 1.589 53.905 52.037 0.466 0.000 0.646 329 A CB -0.527 18.697 19.000 0.374 0.000 0.806 329 A HN 0.534 nan 8.150 nan 0.000 0.448 330 S N 0.517 116.355 115.700 0.232 0.000 2.474 330 S HA -0.143 4.332 4.470 0.008 0.000 0.235 330 S C 1.469 175.965 174.600 -0.173 0.000 0.997 330 S CA 1.087 59.196 58.200 -0.152 0.000 0.949 330 S CB -0.611 62.447 63.200 -0.237 0.000 0.766 330 S HN 0.608 nan 8.310 nan 0.000 0.517 331 N N 1.064 119.675 118.700 -0.149 0.000 2.381 331 N HA 0.038 4.783 4.740 0.008 0.000 0.182 331 N C -0.010 175.226 175.510 -0.456 0.000 1.025 331 N CA 0.856 53.691 53.050 -0.358 0.000 0.888 331 N CB -0.350 37.829 38.487 -0.513 0.000 0.965 331 N HN 0.534 nan 8.380 nan 0.000 0.438 332 F N 0.885 120.839 119.950 0.007 0.000 2.798 332 F HA 0.373 4.902 4.527 0.003 0.000 0.291 332 F C 0.545 176.358 175.800 0.022 0.000 1.174 332 F CA -0.296 57.721 58.000 0.028 0.000 1.392 332 F CB -0.124 38.918 39.000 0.069 0.000 0.966 332 F HN -0.203 nan 8.300 nan 0.000 0.509 333 I N 0.335 120.921 120.570 0.027 0.000 2.325 333 I HA 0.106 4.280 4.170 0.008 0.000 0.291 333 I C 0.470 176.565 176.117 -0.037 0.000 1.019 333 I CA -0.483 60.795 61.300 -0.036 0.000 1.302 333 I CB 0.778 38.622 38.000 -0.260 0.000 1.401 333 I HN -0.022 nan 8.210 nan 0.000 0.485 334 S N 8.545 124.249 115.700 0.006 0.000 2.626 334 S HA -0.019 4.456 4.470 0.008 0.000 0.303 334 S C -1.490 173.084 174.600 -0.044 0.000 1.256 334 S CA -0.698 57.500 58.200 -0.004 0.000 1.069 334 S CB 0.237 63.443 63.200 0.011 0.000 0.807 334 S HN 0.498 nan 8.310 nan 0.000 0.500 335 P HA -0.069 nan 4.420 nan 0.000 0.223 335 P C 0.448 177.714 177.300 -0.057 0.000 1.144 335 P CA 0.903 63.967 63.100 -0.060 0.000 0.783 335 P CB 0.070 31.742 31.700 -0.047 0.000 0.771 336 N N -1.884 116.791 118.700 -0.042 0.000 2.416 336 N HA 0.045 4.790 4.740 0.008 0.000 0.177 336 N C 0.748 176.229 175.510 -0.048 0.000 1.036 336 N CA 0.277 53.305 53.050 -0.037 0.000 0.901 336 N CB -0.229 38.245 38.487 -0.021 0.000 0.976 336 N HN 0.192 nan 8.380 nan 0.000 0.444 337 M N 0.666 120.232 119.600 -0.057 0.000 2.277 337 M HA 0.208 4.693 4.480 0.008 0.000 0.350 337 M C -0.958 175.264 176.300 -0.130 0.000 1.180 337 M CA 0.015 55.273 55.300 -0.071 0.000 1.103 337 M CB 0.907 33.480 32.600 -0.045 0.000 1.577 337 M HN -0.109 nan 8.290 nan 0.000 0.459 338 T N 4.393 118.851 114.554 -0.161 0.000 2.772 338 T HA 0.559 4.914 4.350 0.008 0.000 0.288 338 T C -0.938 173.528 174.700 -0.390 0.000 0.994 338 T CA -0.547 61.386 62.100 -0.278 0.000 0.951 338 T CB 0.919 69.634 68.868 -0.256 0.000 0.933 338 T HN 0.487 nan 8.240 nan 0.000 0.447 339 V N 4.176 123.809 119.914 -0.469 0.000 2.487 339 V HA 0.380 4.505 4.120 0.008 0.000 0.298 339 V C -0.747 175.018 176.094 -0.547 0.000 1.028 339 V CA -1.030 61.002 62.300 -0.447 0.000 0.860 339 V CB 1.493 33.091 31.823 -0.376 0.000 0.991 339 V HN 0.900 nan 8.190 nan 0.000 0.427 340 H N 4.498 123.412 119.070 -0.259 0.000 2.556 340 H HA 0.567 5.128 4.556 0.008 0.000 0.310 340 H C -0.471 174.831 175.328 -0.044 0.000 1.057 340 H CA -0.404 55.540 56.048 -0.174 0.000 1.264 340 H CB 0.973 30.585 29.762 -0.251 0.000 1.404 340 H HN 0.478 nan 8.280 nan 0.000 0.462 341 L N 3.133 124.384 121.223 0.047 0.000 2.276 341 L HA 0.261 4.606 4.340 0.008 0.000 0.286 341 L C 0.237 177.151 176.870 0.073 0.000 1.061 341 L CA -0.483 54.383 54.840 0.044 0.000 0.807 341 L CB 0.956 42.995 42.059 -0.033 0.000 1.177 341 L HN 0.533 nan 8.230 nan 0.000 0.429 342 Q N 2.152 122.007 119.800 0.091 0.000 2.245 342 Q HA 0.374 4.719 4.340 0.008 0.000 0.256 342 Q C -1.213 174.790 176.000 0.006 0.000 0.942 342 Q CA -0.180 55.668 55.803 0.076 0.000 0.896 342 Q CB 2.257 31.056 28.738 0.102 0.000 1.272 342 Q HN 0.594 nan 8.270 nan 0.000 0.442 343 S N 2.005 117.675 115.700 -0.051 0.000 2.552 343 S HA 0.145 4.619 4.470 0.008 0.000 0.314 343 S C 0.809 175.289 174.600 -0.200 0.000 1.099 343 S CA -0.586 57.547 58.200 -0.112 0.000 1.070 343 S CB 0.759 63.880 63.200 -0.133 0.000 0.998 343 S HN 0.654 nan 8.310 nan 0.000 0.474 344 E N 3.878 123.938 120.200 -0.233 0.000 2.267 344 E HA -0.202 4.153 4.350 0.008 0.000 0.197 344 E C 0.776 177.110 176.600 -0.443 0.000 0.998 344 E CA 1.068 57.216 56.400 -0.420 0.000 0.830 344 E CB -0.535 28.950 29.700 -0.359 0.000 0.751 344 E HN 0.760 nan 8.360 nan 0.000 0.491 345 N N 0.969 119.351 118.700 -0.531 0.000 2.449 345 N HA 0.016 4.761 4.740 0.008 0.000 0.191 345 N C 0.860 176.063 175.510 -0.512 0.000 1.161 345 N CA 0.853 53.447 53.050 -0.761 0.000 0.863 345 N CB 0.404 38.001 38.487 -1.483 0.000 0.980 345 N HN 0.308 nan 8.380 nan 0.000 0.458 346 G N 0.217 108.731 108.800 -0.476 0.000 2.245 346 G HA2 -0.083 3.881 3.960 0.008 0.000 0.130 346 G HA3 -0.083 3.881 3.960 0.008 0.000 0.130 346 G C -0.655 173.531 174.900 -1.190 0.000 1.040 346 G CA -0.391 44.249 45.100 -0.766 0.000 0.713 346 G HN 0.313 nan 8.290 nan 0.000 0.488 347 I N -0.273 119.794 120.570 -0.839 0.000 2.686 347 I HA 0.664 4.838 4.170 0.008 0.000 0.295 347 I C -0.793 175.167 176.117 -0.260 0.000 1.114 347 I CA -1.327 59.615 61.300 -0.597 0.000 1.038 347 I CB 2.194 40.036 38.000 -0.264 0.000 1.238 347 I HN 0.061 nan 8.210 nan 0.000 0.420 348 L N 5.100 126.236 121.223 -0.146 0.000 2.372 348 L HA 0.809 5.154 4.340 0.008 0.000 0.274 348 L C 0.197 177.052 176.870 -0.024 0.000 0.988 348 L CA 0.182 55.067 54.840 0.074 0.000 0.833 348 L CB 1.429 43.633 42.059 0.243 0.000 1.236 348 L HN 0.820 nan 8.230 nan 0.000 0.410 349 G N 4.535 113.343 108.800 0.012 0.000 2.237 349 G HA2 -0.140 3.824 3.960 0.008 0.000 0.153 349 G HA3 -0.140 3.824 3.960 0.008 0.000 0.153 349 G C -0.195 174.665 174.900 -0.067 0.000 1.039 349 G CA -0.227 44.871 45.100 -0.003 0.000 0.719 349 G HN 0.607 nan 8.290 nan 0.000 0.491 350 L N 0.433 121.615 121.223 -0.069 0.000 2.514 350 L HA 0.450 4.794 4.340 0.008 0.000 0.280 350 L C 1.485 178.293 176.870 -0.103 0.000 1.223 350 L CA 0.887 55.675 54.840 -0.086 0.000 0.864 350 L CB 0.564 42.574 42.059 -0.082 0.000 1.118 350 L HN 0.368 nan 8.230 nan 0.000 0.494 351 G N 3.089 111.827 108.800 -0.103 0.000 2.938 351 G HA2 0.633 4.598 3.960 0.008 0.000 0.258 351 G HA3 0.633 4.598 3.960 0.008 0.000 0.258 351 G C -2.751 172.051 174.900 -0.163 0.000 1.356 351 G CA -1.061 43.969 45.100 -0.117 0.000 1.052 351 G HN 0.359 nan 8.290 nan 0.000 0.550 352 P HA 0.210 nan 4.420 nan 0.000 0.273 352 P C -0.837 176.370 177.300 -0.155 0.000 1.250 352 P CA -0.347 62.626 63.100 -0.210 0.000 0.793 352 P CB 0.250 31.876 31.700 -0.122 0.000 1.011 353 Y N 0.608 120.891 120.300 -0.028 0.000 2.480 353 Y HA 0.125 4.679 4.550 0.007 0.000 0.338 353 Y C -1.428 174.462 175.900 -0.017 0.000 1.220 353 Y CA -1.661 56.429 58.100 -0.017 0.000 1.430 353 Y CB -1.033 37.418 38.460 -0.014 0.000 1.311 353 Y HN 0.316 nan 8.280 nan 0.000 0.575 354 P HA 0.166 nan 4.420 nan 0.000 0.276 354 P C -0.727 176.611 177.300 0.063 0.000 1.252 354 P CA -0.248 62.901 63.100 0.082 0.000 0.802 354 P CB 1.166 32.904 31.700 0.062 0.000 1.035 355 L N 0.799 122.044 121.223 0.037 0.000 2.421 355 L HA 0.171 4.515 4.340 0.008 0.000 0.263 355 L C 2.337 179.217 176.870 0.017 0.000 1.122 355 L CA -0.402 54.453 54.840 0.024 0.000 0.804 355 L CB 0.049 42.118 42.059 0.016 0.000 1.150 355 L HN 0.350 nan 8.230 nan 0.000 0.457 356 Q N 1.565 121.370 119.800 0.010 0.000 2.156 356 Q HA -0.259 4.086 4.340 0.008 0.000 0.211 356 Q C 1.779 177.782 176.000 0.006 0.000 0.995 356 Q CA 2.523 58.328 55.803 0.004 0.000 0.877 356 Q CB -0.115 28.624 28.738 0.001 0.000 0.920 356 Q HN 0.745 nan 8.270 nan 0.000 0.416 357 N N -0.615 118.089 118.700 0.008 0.000 2.331 357 N HA -0.146 4.599 4.740 0.008 0.000 0.180 357 N C 1.161 176.676 175.510 0.009 0.000 1.019 357 N CA 1.259 54.314 53.050 0.008 0.000 0.881 357 N CB -0.298 38.194 38.487 0.008 0.000 0.972 357 N HN 0.433 nan 8.380 nan 0.000 0.435 358 E N 0.859 121.066 120.200 0.012 0.000 2.208 358 E HA 0.042 4.397 4.350 0.008 0.000 0.193 358 E C 0.078 176.686 176.600 0.013 0.000 0.988 358 E CA -0.031 56.377 56.400 0.014 0.000 0.828 358 E CB 0.213 29.924 29.700 0.019 0.000 0.763 358 E HN 0.041 nan 8.360 nan 0.000 0.478 359 V N 2.880 122.802 119.914 0.013 0.000 2.678 359 V HA -0.132 3.993 4.120 0.008 0.000 0.304 359 V C 0.107 176.200 176.094 -0.001 0.000 1.086 359 V CA 0.956 63.262 62.300 0.011 0.000 1.246 359 V CB 0.068 31.894 31.823 0.005 0.000 0.861 359 V HN 0.161 nan 8.190 nan 0.000 0.491 360 D N 3.500 123.898 120.400 -0.004 0.000 2.863 360 D HA 0.525 5.170 4.640 0.008 0.000 0.245 360 D C 0.500 176.785 176.300 -0.026 0.000 1.211 360 D CA -0.020 53.965 54.000 -0.027 0.000 0.888 360 D CB 2.252 43.025 40.800 -0.046 0.000 1.483 360 D HN 0.470 nan 8.370 nan 0.000 0.533 361 A N 3.183 125.985 122.820 -0.030 0.000 2.067 361 A HA -0.114 4.211 4.320 0.008 0.000 0.219 361 A C 1.240 178.807 177.584 -0.029 0.000 1.158 361 A CA 1.071 53.099 52.037 -0.014 0.000 0.661 361 A CB 0.055 19.053 19.000 -0.003 0.000 0.801 361 A HN 0.495 nan 8.150 nan 0.000 0.452 362 D N -1.311 119.037 120.400 -0.085 0.000 2.349 362 D HA 0.151 4.796 4.640 0.008 0.000 0.224 362 D C -0.334 175.878 176.300 -0.147 0.000 1.029 362 D CA 0.406 54.324 54.000 -0.137 0.000 0.879 362 D CB 0.369 41.017 40.800 -0.252 0.000 0.906 362 D HN 0.295 nan 8.370 nan 0.000 0.528 363 L N 1.703 122.879 121.223 -0.078 0.000 2.388 363 L HA 0.392 4.737 4.340 0.008 0.000 0.267 363 L C -0.781 176.104 176.870 0.025 0.000 0.995 363 L CA -0.724 54.093 54.840 -0.038 0.000 0.864 363 L CB 0.684 42.735 42.059 -0.014 0.000 1.216 363 L HN -0.089 nan 8.230 nan 0.000 0.430 364 I N 1.184 121.781 120.570 0.045 0.000 3.074 364 I HA 0.721 4.895 4.170 0.008 0.000 0.310 364 I C -0.715 175.454 176.117 0.086 0.000 1.153 364 I CA -0.934 60.421 61.300 0.092 0.000 0.993 364 I CB 2.185 40.267 38.000 0.137 0.000 1.237 364 I HN 0.546 nan 8.210 nan 0.000 0.443 365 N N 2.632 121.401 118.700 0.115 0.000 2.476 365 N HA 0.433 5.177 4.740 0.008 0.000 0.287 365 N C 0.792 176.396 175.510 0.157 0.000 1.262 365 N CA -0.135 52.965 53.050 0.082 0.000 0.980 365 N CB 0.642 39.178 38.487 0.082 0.000 1.163 365 N HN 0.824 nan 8.380 nan 0.000 0.592 366 A N -1.050 121.837 122.820 0.112 0.000 2.019 366 A HA 0.055 4.380 4.320 0.008 0.000 0.219 366 A C 1.739 179.496 177.584 0.289 0.000 1.164 366 A CA 1.513 53.693 52.037 0.238 0.000 0.644 366 A CB -1.485 17.590 19.000 0.125 0.000 0.805 366 A HN 0.811 nan 8.150 nan 0.000 0.449 367 G N -2.174 106.730 108.800 0.174 0.000 3.124 367 G HA2 0.268 4.232 3.960 0.008 0.000 0.212 367 G HA3 0.268 4.232 3.960 0.008 0.000 0.212 367 G C 0.703 175.672 174.900 0.115 0.000 1.181 367 G CA 0.492 45.661 45.100 0.114 0.000 0.803 367 G HN 0.332 nan 8.290 nan 0.000 0.529 368 K N -0.729 119.780 120.400 0.182 0.000 3.407 368 K HA -0.162 4.162 4.320 0.008 0.000 0.312 368 K C 0.206 176.875 176.600 0.114 0.000 1.302 368 K CA 0.942 57.315 56.287 0.143 0.000 0.931 368 K CB -1.493 31.040 32.500 0.055 0.000 1.257 368 K HN 0.658 nan 8.250 nan 0.000 0.454 369 E N 0.559 120.838 120.200 0.131 0.000 2.249 369 E HA 0.238 4.593 4.350 0.008 0.000 0.280 369 E C 0.053 176.736 176.600 0.139 0.000 1.016 369 E CA -0.191 56.277 56.400 0.115 0.000 0.830 369 E CB 0.837 30.636 29.700 0.166 0.000 1.081 369 E HN 0.290 nan 8.360 nan 0.000 0.395 370 T N -0.470 114.140 114.554 0.094 0.000 2.928 370 T HA 0.306 4.661 4.350 0.008 0.000 0.305 370 T C 0.403 175.215 174.700 0.187 0.000 1.035 370 T CA -0.764 61.395 62.100 0.099 0.000 1.145 370 T CB 0.269 69.168 68.868 0.051 0.000 0.963 370 T HN 0.325 nan 8.240 nan 0.000 0.545 371 V N -0.428 119.571 119.914 0.142 0.000 3.103 371 V HA 0.966 5.091 4.120 0.008 0.000 0.311 371 V C 0.025 176.159 176.094 0.068 0.000 1.322 371 V CA -0.688 61.692 62.300 0.133 0.000 1.063 371 V CB 1.473 33.337 31.823 0.069 0.000 1.090 371 V HN 1.259 nan 8.190 nan 0.000 0.462 372 T N -1.973 112.596 114.554 0.025 0.000 2.910 372 T HA 0.844 5.198 4.350 0.008 0.000 0.287 372 T C -0.946 173.748 174.700 -0.011 0.000 1.050 372 T CA -0.713 61.395 62.100 0.013 0.000 1.011 372 T CB 1.824 70.692 68.868 0.000 0.000 1.195 372 T HN 1.257 nan 8.240 nan 0.000 0.540 373 V N 0.828 120.735 119.914 -0.012 0.000 2.876 373 V HA 0.596 4.720 4.120 0.008 0.000 0.312 373 V C -0.655 175.407 176.094 -0.053 0.000 1.085 373 V CA -1.205 61.064 62.300 -0.051 0.000 0.945 373 V CB 1.861 33.639 31.823 -0.075 0.000 1.017 373 V HN 0.913 nan 8.190 nan 0.000 0.428 374 L N 4.740 125.923 121.223 -0.066 0.000 2.454 374 L HA 0.510 4.855 4.340 0.008 0.000 0.256 374 L C -2.156 174.689 176.870 -0.042 0.000 1.136 374 L CA -1.845 52.964 54.840 -0.051 0.000 0.804 374 L CB 0.831 42.857 42.059 -0.055 0.000 1.181 374 L HN 0.462 nan 8.230 nan 0.000 0.469 375 P HA 0.097 nan 4.420 nan 0.000 0.268 375 P C 0.389 177.682 177.300 -0.011 0.000 1.205 375 P CA 0.465 63.555 63.100 -0.016 0.000 0.771 375 P CB 0.593 32.288 31.700 -0.009 0.000 0.858 376 G N 1.100 109.890 108.800 -0.016 0.000 2.147 376 G HA2 -0.082 3.883 3.960 0.008 0.000 0.244 376 G HA3 -0.082 3.883 3.960 0.008 0.000 0.244 376 G C 0.395 175.271 174.900 -0.040 0.000 1.005 376 G CA -0.070 45.021 45.100 -0.016 0.000 0.713 376 G HN 0.827 nan 8.290 nan 0.000 0.515 377 A N -0.411 122.358 122.820 -0.085 0.000 2.287 377 A HA 0.922 5.246 4.320 0.008 0.000 0.273 377 A C 0.728 178.172 177.584 -0.233 0.000 1.091 377 A CA 0.756 52.694 52.037 -0.166 0.000 0.817 377 A CB 0.908 19.758 19.000 -0.250 0.000 1.069 377 A HN 2.014 nan 8.150 nan 0.000 0.492 378 S N -0.893 114.629 115.700 -0.297 0.000 2.564 378 S HA 0.746 5.220 4.470 0.008 0.000 0.274 378 S C -1.423 172.898 174.600 -0.466 0.000 1.124 378 S CA -0.613 57.440 58.200 -0.245 0.000 0.869 378 S CB 0.894 64.110 63.200 0.028 0.000 1.105 378 S HN 0.518 nan 8.310 nan 0.000 0.472 379 Y N 1.007 121.233 120.300 -0.124 0.000 2.468 379 Y HA 0.816 5.371 4.550 0.007 0.000 0.342 379 Y C -0.302 175.444 175.900 -0.257 0.000 1.021 379 Y CA -1.153 56.716 58.100 -0.386 0.000 1.079 379 Y CB 1.629 39.933 38.460 -0.260 0.000 1.226 379 Y HN 0.875 nan 8.280 nan 0.000 0.460 380 F N -1.870 118.061 119.950 -0.032 0.000 2.713 380 F HA 0.671 5.202 4.527 0.008 0.000 0.311 380 F C -0.402 175.279 175.800 -0.198 0.000 1.141 380 F CA -1.691 56.224 58.000 -0.142 0.000 0.939 380 F CB 0.446 39.351 39.000 -0.157 0.000 1.325 380 F HN 0.352 nan 8.300 nan 0.000 0.453 381 S N 0.063 115.756 115.700 -0.012 0.000 2.608 381 S HA 0.263 4.737 4.470 0.008 0.000 0.261 381 S C 0.731 175.243 174.600 -0.147 0.000 1.314 381 S CA 0.089 58.185 58.200 -0.174 0.000 0.992 381 S CB 1.135 64.196 63.200 -0.232 0.000 0.935 381 S HN 0.714 nan 8.310 nan 0.000 0.564 382 S N 1.544 117.046 115.700 -0.331 0.000 2.368 382 S HA -0.142 4.333 4.470 0.008 0.000 0.225 382 S C 1.739 176.239 174.600 -0.166 0.000 1.030 382 S CA 1.441 59.411 58.200 -0.383 0.000 0.999 382 S CB -0.724 61.791 63.200 -1.141 0.000 0.844 382 S HN 0.938 nan 8.310 nan 0.000 0.459 383 D N 1.248 121.510 120.400 -0.231 0.000 2.178 383 D HA -0.147 4.498 4.640 0.008 0.000 0.202 383 D C 1.772 178.029 176.300 -0.072 0.000 0.974 383 D CA 1.082 55.012 54.000 -0.116 0.000 0.841 383 D CB -0.408 40.296 40.800 -0.160 0.000 0.953 383 D HN 0.376 nan 8.370 nan 0.000 0.478 384 E N 1.129 121.271 120.200 -0.097 0.000 2.107 384 E HA -0.128 4.227 4.350 0.008 0.000 0.191 384 E C 2.058 178.552 176.600 -0.177 0.000 0.982 384 E CA 1.252 57.568 56.400 -0.141 0.000 0.809 384 E CB -0.411 29.204 29.700 -0.142 0.000 0.756 384 E HN 0.122 nan 8.360 nan 0.000 0.459 385 S N -1.138 114.535 115.700 -0.045 0.000 2.359 385 S HA -0.135 4.339 4.470 0.008 0.000 0.224 385 S C 1.558 176.001 174.600 -0.262 0.000 1.035 385 S CA 1.332 59.485 58.200 -0.079 0.000 1.018 385 S CB -0.453 62.701 63.200 -0.077 0.000 0.876 385 S HN 0.383 nan 8.310 nan 0.000 0.448 386 F N 1.275 121.190 119.950 -0.059 0.000 2.710 386 F HA 0.358 4.889 4.527 0.007 0.000 0.298 386 F C 2.267 178.043 175.800 -0.039 0.000 1.137 386 F CA 0.391 58.371 58.000 -0.033 0.000 1.444 386 F CB -0.432 38.555 39.000 -0.021 0.000 1.111 386 F HN 0.265 nan 8.300 nan 0.000 0.580 387 A N -0.225 122.622 122.820 0.046 0.000 1.929 387 A HA -0.159 4.166 4.320 0.008 0.000 0.216 387 A C 2.237 179.818 177.584 -0.005 0.000 1.176 387 A CA 1.288 53.322 52.037 -0.004 0.000 0.628 387 A CB -0.591 18.356 19.000 -0.089 0.000 0.816 387 A HN 0.381 nan 8.150 nan 0.000 0.444 388 M N -0.592 118.942 119.600 -0.109 0.000 2.099 388 M HA -0.075 4.410 4.480 0.008 0.000 0.262 388 M C 1.919 178.249 176.300 0.050 0.000 1.067 388 M CA 1.774 56.997 55.300 -0.129 0.000 1.124 388 M CB -0.246 32.149 32.600 -0.341 0.000 1.353 388 M HN 0.417 nan 8.290 nan 0.000 0.410 389 I N -0.640 119.926 120.570 -0.006 0.000 2.193 389 I HA -0.273 3.902 4.170 0.008 0.000 0.240 389 I C 2.646 178.823 176.117 0.100 0.000 1.084 389 I CA 1.156 62.477 61.300 0.036 0.000 1.365 389 I CB -0.495 37.501 38.000 -0.006 0.000 1.064 389 I HN 0.314 nan 8.210 nan 0.000 0.410 390 R N 0.979 121.566 120.500 0.145 0.000 2.120 390 R HA -0.129 4.216 4.340 0.008 0.000 0.234 390 R C 2.035 178.395 176.300 0.100 0.000 1.123 390 R CA 1.466 57.653 56.100 0.145 0.000 0.975 390 R CB -0.394 30.008 30.300 0.169 0.000 0.866 390 R HN 0.428 nan 8.270 nan 0.000 0.446 391 G N -1.041 107.820 108.800 0.101 0.000 2.848 391 G HA2 0.066 4.030 3.960 0.008 0.000 0.208 391 G HA3 0.066 4.030 3.960 0.008 0.000 0.208 391 G C 0.756 175.544 174.900 -0.187 0.000 1.152 391 G CA 0.393 45.510 45.100 0.029 0.000 0.789 391 G HN 0.532 nan 8.290 nan 0.000 0.531 392 G N -0.381 108.367 108.800 -0.086 0.000 2.176 392 G HA2 -0.300 3.665 3.960 0.008 0.000 0.252 392 G HA3 -0.300 3.665 3.960 0.008 0.000 0.252 392 G C 0.610 175.379 174.900 -0.219 0.000 1.024 392 G CA 0.755 45.779 45.100 -0.128 0.000 0.755 392 G HN 0.647 nan 8.290 nan 0.000 0.507 393 H N -1.222 117.810 119.070 -0.065 0.000 2.529 393 H HA 0.293 4.853 4.556 0.007 0.000 0.277 393 H C 1.571 176.839 175.328 -0.100 0.000 0.999 393 H CA 0.906 56.884 56.048 -0.116 0.000 1.256 393 H CB 0.439 30.083 29.762 -0.196 0.000 1.402 393 H HN 0.366 nan 8.280 nan 0.000 0.566 394 V N 1.851 121.796 119.914 0.051 0.000 2.488 394 V HA -0.023 4.101 4.120 0.008 0.000 0.277 394 V C 0.638 176.796 176.094 0.107 0.000 1.046 394 V CA 0.082 62.439 62.300 0.094 0.000 0.986 394 V CB 1.262 33.135 31.823 0.083 0.000 0.989 394 V HN 0.510 nan 8.190 nan 0.000 0.475 395 N N 3.207 122.012 118.700 0.176 0.000 2.135 395 N HA 0.000 4.745 4.740 0.008 0.000 0.186 395 N C 0.136 175.709 175.510 0.105 0.000 1.027 395 N CA 0.623 53.758 53.050 0.141 0.000 0.849 395 N CB 0.131 38.730 38.487 0.186 0.000 1.002 395 N HN 0.493 nan 8.380 nan 0.000 0.425 396 L N 0.365 121.661 121.223 0.122 0.000 2.409 396 L HA 0.421 4.765 4.340 0.008 0.000 0.272 396 L C -1.390 175.535 176.870 0.091 0.000 0.980 396 L CA -0.283 54.610 54.840 0.088 0.000 0.826 396 L CB 2.198 44.305 42.059 0.080 0.000 1.268 396 L HN -0.210 nan 8.230 nan 0.000 0.407 397 T N 6.259 120.852 114.554 0.064 0.000 2.791 397 T HA 0.529 4.883 4.350 0.008 0.000 0.288 397 T C -0.539 174.188 174.700 0.044 0.000 0.999 397 T CA -0.100 62.039 62.100 0.065 0.000 0.952 397 T CB 0.776 69.682 68.868 0.064 0.000 0.938 397 T HN 0.672 nan 8.240 nan 0.000 0.444 398 M N 5.780 125.408 119.600 0.046 0.000 2.243 398 M HA 0.672 5.156 4.480 0.008 0.000 0.324 398 M C -1.742 174.585 176.300 0.045 0.000 1.031 398 M CA -0.825 54.486 55.300 0.018 0.000 0.949 398 M CB 0.546 33.126 32.600 -0.033 0.000 1.615 398 M HN 0.574 nan 8.290 nan 0.000 0.430 399 L N 3.021 124.268 121.223 0.040 0.000 2.502 399 L HA 1.065 5.410 4.340 0.008 0.000 0.253 399 L C -0.248 176.649 176.870 0.045 0.000 1.070 399 L CA -0.718 54.154 54.840 0.054 0.000 0.871 399 L CB 0.621 42.720 42.059 0.067 0.000 1.487 399 L HN 0.580 nan 8.230 nan 0.000 0.408 400 G N -1.246 107.585 108.800 0.053 0.000 2.502 400 G HA2 0.876 4.841 3.960 0.008 0.000 0.305 400 G HA3 0.876 4.841 3.960 0.008 0.000 0.305 400 G C -1.123 173.804 174.900 0.046 0.000 1.190 400 G CA -0.183 44.943 45.100 0.043 0.000 0.933 400 G HN 1.232 nan 8.290 nan 0.000 0.503 401 A N -0.259 122.579 122.820 0.030 0.000 2.608 401 A HA 0.572 4.896 4.320 0.008 0.000 0.292 401 A C 0.396 177.983 177.584 0.004 0.000 1.066 401 A CA -0.485 51.570 52.037 0.029 0.000 0.676 401 A CB 0.826 19.842 19.000 0.026 0.000 1.277 401 A HN 0.552 nan 8.150 nan 0.000 0.413 402 M N -0.268 119.331 119.600 -0.002 0.000 2.412 402 M HA 0.140 4.625 4.480 0.008 0.000 0.263 402 M C 0.516 176.795 176.300 -0.035 0.000 1.122 402 M CA 1.305 56.592 55.300 -0.022 0.000 1.179 402 M CB 0.152 32.730 32.600 -0.036 0.000 1.335 402 M HN 0.725 nan 8.290 nan 0.000 0.465 403 Q N -0.328 119.454 119.800 -0.030 0.000 2.456 403 Q HA 0.652 4.996 4.340 0.008 0.000 0.284 403 Q C -1.530 174.447 176.000 -0.038 0.000 1.061 403 Q CA -0.722 55.056 55.803 -0.043 0.000 0.799 403 Q CB 3.718 32.436 28.738 -0.034 0.000 1.445 403 Q HN -0.039 nan 8.270 nan 0.000 0.411 404 V N 1.109 120.983 119.914 -0.067 0.000 2.711 404 V HA 0.358 4.482 4.120 0.008 0.000 0.304 404 V C -0.360 175.685 176.094 -0.081 0.000 1.097 404 V CA -0.804 61.458 62.300 -0.063 0.000 0.906 404 V CB 1.853 33.621 31.823 -0.092 0.000 1.015 404 V HN 0.916 nan 8.190 nan 0.000 0.427 405 S N 3.330 119.009 115.700 -0.036 0.000 2.614 405 S HA 0.277 4.752 4.470 0.008 0.000 0.265 405 S C 0.909 175.463 174.600 -0.077 0.000 1.303 405 S CA -0.148 58.032 58.200 -0.033 0.000 1.000 405 S CB 0.772 63.994 63.200 0.037 0.000 0.935 405 S HN 0.910 nan 8.310 nan 0.000 0.551 406 K N -0.113 120.201 120.400 -0.142 0.000 2.616 406 K HA -0.023 4.302 4.320 0.008 0.000 0.192 406 K C -0.123 176.257 176.600 -0.367 0.000 1.031 406 K CA 1.036 57.160 56.287 -0.273 0.000 1.004 406 K CB -0.433 31.851 32.500 -0.361 0.000 0.810 406 K HN 0.683 nan 8.250 nan 0.000 0.497 407 Y N -0.768 119.534 120.300 0.004 0.000 2.563 407 Y HA 0.259 4.814 4.550 0.008 0.000 0.250 407 Y C 1.432 177.343 175.900 0.019 0.000 1.126 407 Y CA -0.211 57.900 58.100 0.018 0.000 1.231 407 Y CB 1.946 40.420 38.460 0.023 0.000 1.288 407 Y HN 0.304 nan 8.280 nan 0.000 0.537 408 G N -0.438 108.445 108.800 0.138 0.000 2.336 408 G HA2 -0.209 3.755 3.960 0.008 0.000 0.194 408 G HA3 -0.209 3.755 3.960 0.008 0.000 0.194 408 G C -0.266 174.681 174.900 0.079 0.000 0.999 408 G CA -0.339 44.819 45.100 0.096 0.000 0.669 408 G HN 0.231 nan 8.290 nan 0.000 0.482 409 D N 1.071 121.524 120.400 0.089 0.000 2.449 409 D HA 0.498 5.142 4.640 0.008 0.000 0.236 409 D C 0.807 177.140 176.300 0.055 0.000 1.149 409 D CA 1.060 55.103 54.000 0.072 0.000 0.878 409 D CB 0.788 41.630 40.800 0.070 0.000 1.198 409 D HN 0.878 nan 8.370 nan 0.000 0.446 410 L N -1.907 119.358 121.223 0.069 0.000 2.434 410 L HA 0.895 5.240 4.340 0.008 0.000 0.260 410 L C -1.470 175.466 176.870 0.111 0.000 0.983 410 L CA -1.370 53.512 54.840 0.071 0.000 0.820 410 L CB 2.252 44.355 42.059 0.075 0.000 1.361 410 L HN 0.347 nan 8.230 nan 0.000 0.410 411 A N 2.801 125.673 122.820 0.087 0.000 2.357 411 A HA 0.772 5.096 4.320 0.008 0.000 0.295 411 A C -0.824 176.802 177.584 0.071 0.000 1.121 411 A CA -0.403 51.687 52.037 0.089 0.000 0.742 411 A CB 0.645 19.647 19.000 0.004 0.000 1.181 411 A HN 0.901 nan 8.150 nan 0.000 0.454 412 N N 2.395 121.189 118.700 0.157 0.000 3.211 412 N HA 0.063 4.808 4.740 0.008 0.000 0.183 412 N C -0.488 175.195 175.510 0.287 0.000 1.447 412 N CA -0.157 52.973 53.050 0.134 0.000 0.840 412 N CB -0.211 38.354 38.487 0.130 0.000 1.611 412 N HN 1.164 nan 8.380 nan 0.000 0.610 413 W N 0.905 122.229 121.300 0.040 0.000 0.634 413 W HA 0.296 4.961 4.660 0.008 0.000 0.137 413 W C -1.344 175.214 176.519 0.066 0.000 0.607 413 W CA -0.203 57.175 57.345 0.055 0.000 0.348 413 W CB -0.058 29.436 29.460 0.057 0.000 0.666 413 W HN 0.160 nan 8.180 nan 0.000 0.357 414 M N 1.735 120.817 119.600 -0.864 0.000 2.520 414 M HA 0.641 5.125 4.480 0.008 0.000 0.280 414 M C -2.146 173.849 176.300 -0.508 0.000 1.232 414 M CA -0.591 54.221 55.300 -0.813 0.000 0.892 414 M CB 2.622 34.239 32.600 -1.638 0.000 1.728 414 M HN -0.016 nan 8.290 nan 0.000 0.475 415 I N 4.525 124.917 120.570 -0.297 0.000 2.542 415 I HA 0.288 4.463 4.170 0.008 0.000 0.278 415 I C -2.056 173.984 176.117 -0.129 0.000 1.069 415 I CA -1.643 59.548 61.300 -0.181 0.000 1.100 415 I CB 1.669 39.606 38.000 -0.105 0.000 1.204 415 I HN 0.535 nan 8.210 nan 0.000 0.470 416 P HA -0.303 nan 4.420 nan 0.000 0.234 416 P C 1.223 178.517 177.300 -0.009 0.000 1.067 416 P CA 2.400 65.463 63.100 -0.062 0.000 1.034 416 P CB 0.149 31.820 31.700 -0.048 0.000 0.739 417 G N -4.193 104.601 108.800 -0.010 0.000 3.274 417 G HA2 0.027 3.992 3.960 0.008 0.000 0.250 417 G HA3 0.027 3.992 3.960 0.008 0.000 0.250 417 G C 0.977 175.882 174.900 0.008 0.000 1.024 417 G CA -0.015 45.093 45.100 0.013 0.000 0.840 417 G HN 0.121 nan 8.290 nan 0.000 0.522 418 K N 0.376 120.772 120.400 -0.007 0.000 2.438 418 K HA 0.493 4.817 4.320 0.008 0.000 0.205 418 K C -0.131 176.469 176.600 0.001 0.000 1.033 418 K CA -0.118 56.167 56.287 -0.003 0.000 1.089 418 K CB 0.907 33.400 32.500 -0.012 0.000 0.857 418 K HN 0.237 nan 8.250 nan 0.000 0.522 419 L N 1.218 122.441 121.223 -0.001 0.000 2.315 419 L HA 0.053 4.398 4.340 0.008 0.000 0.261 419 L C -0.555 176.317 176.870 0.003 0.000 1.410 419 L CA -0.192 54.652 54.840 0.007 0.000 0.758 419 L CB 1.147 43.200 42.059 -0.010 0.000 0.922 419 L HN -0.237 nan 8.230 nan 0.000 0.537 420 V N -1.177 118.766 119.914 0.049 0.000 2.224 420 V HA 0.188 4.313 4.120 0.008 0.000 0.289 420 V C 1.200 177.343 176.094 0.082 0.000 1.518 420 V CA -0.286 62.059 62.300 0.075 0.000 1.533 420 V CB -0.052 31.851 31.823 0.133 0.000 1.460 420 V HN 0.651 nan 8.190 nan 0.000 0.515 421 K N 1.244 121.694 120.400 0.084 0.000 2.356 421 K HA 0.607 4.932 4.320 0.008 0.000 0.195 421 K C 0.837 177.445 176.600 0.013 0.000 1.037 421 K CA 0.569 56.845 56.287 -0.019 0.000 1.014 421 K CB 0.589 33.084 32.500 -0.009 0.000 0.815 421 K HN 1.017 nan 8.250 nan 0.000 0.507 422 G N 1.972 110.943 108.800 0.285 0.000 2.484 422 G HA2 -0.099 3.866 3.960 0.008 0.000 0.685 422 G HA3 -0.099 3.866 3.960 0.008 0.000 0.685 422 G C 0.039 175.243 174.900 0.507 0.000 1.294 422 G CA -0.235 45.064 45.100 0.333 0.000 0.879 422 G HN 0.100 nan 8.290 nan 0.000 0.646 423 M N 0.828 120.492 119.600 0.107 0.000 2.502 423 M HA 0.378 4.863 4.480 0.008 0.000 0.243 423 M C 1.511 177.783 176.300 -0.048 0.000 1.130 423 M CA 1.792 56.974 55.300 -0.197 0.000 1.055 423 M CB -1.361 30.554 32.600 -1.142 0.000 1.457 423 M HN 2.713 nan 8.290 nan 0.000 0.488 424 G N 1.726 110.563 108.800 0.063 0.000 2.651 424 G HA2 -0.330 3.635 3.960 0.008 0.000 0.315 424 G HA3 -0.330 3.635 3.960 0.008 0.000 0.315 424 G C 0.650 175.580 174.900 0.050 0.000 1.258 424 G CA 0.536 45.682 45.100 0.077 0.000 1.002 424 G HN 0.899 nan 8.290 nan 0.000 0.551 425 G N -0.071 108.816 108.800 0.145 0.000 3.393 425 G HA2 0.599 4.564 3.960 0.008 0.000 0.255 425 G HA3 0.599 4.564 3.960 0.008 0.000 0.255 425 G C 1.510 176.512 174.900 0.170 0.000 1.097 425 G CA 1.653 46.896 45.100 0.237 0.000 0.780 425 G HN 1.595 nan 8.290 nan 0.000 0.540 426 A N 1.010 123.863 122.820 0.055 0.000 1.908 426 A HA -0.056 4.269 4.320 0.008 0.000 0.218 426 A C 2.295 179.877 177.584 -0.004 0.000 1.181 426 A CA 1.476 53.533 52.037 0.034 0.000 0.627 426 A CB -0.310 18.703 19.000 0.022 0.000 0.818 426 A HN 0.401 nan 8.150 nan 0.000 0.445 427 M N -0.745 118.792 119.600 -0.105 0.000 2.296 427 M HA -0.108 4.377 4.480 0.008 0.000 0.265 427 M C 1.232 177.539 176.300 0.011 0.000 1.064 427 M CA 1.229 56.475 55.300 -0.090 0.000 1.109 427 M CB -0.415 32.070 32.600 -0.192 0.000 1.396 427 M HN 0.386 nan 8.290 nan 0.000 0.430 428 D N 0.556 120.992 120.400 0.061 0.000 2.162 428 D HA -0.039 4.606 4.640 0.008 0.000 0.203 428 D C 2.054 178.464 176.300 0.183 0.000 0.967 428 D CA 1.098 55.192 54.000 0.156 0.000 0.840 428 D CB 0.006 40.975 40.800 0.282 0.000 0.972 428 D HN 0.357 nan 8.370 nan 0.000 0.482 429 L N 0.950 122.275 121.223 0.170 0.000 2.191 429 L HA -0.115 4.230 4.340 0.008 0.000 0.212 429 L C 2.095 179.022 176.870 0.093 0.000 1.103 429 L CA 0.711 55.628 54.840 0.128 0.000 0.769 429 L CB -0.045 42.083 42.059 0.114 0.000 0.908 429 L HN 0.009 nan 8.230 nan 0.000 0.438 430 V N -5.359 114.605 119.914 0.083 0.000 3.319 430 V HA 0.150 4.274 4.120 0.008 0.000 0.317 430 V C 1.930 178.065 176.094 0.068 0.000 1.411 430 V CA 0.441 62.783 62.300 0.070 0.000 1.112 430 V CB 0.090 31.953 31.823 0.067 0.000 1.031 430 V HN 0.340 nan 8.190 nan 0.000 0.448 431 S N -0.300 115.448 115.700 0.079 0.000 2.453 431 S HA 0.038 4.512 4.470 0.008 0.000 0.231 431 S C 1.192 175.831 174.600 0.066 0.000 1.005 431 S CA 0.950 59.197 58.200 0.078 0.000 0.949 431 S CB -0.211 63.052 63.200 0.105 0.000 0.774 431 S HN 0.623 nan 8.310 nan 0.000 0.510 432 S N -0.021 115.717 115.700 0.063 0.000 2.541 432 S HA 0.725 5.200 4.470 0.008 0.000 0.283 432 S C 0.904 175.522 174.600 0.030 0.000 1.196 432 S CA -0.253 57.974 58.200 0.046 0.000 1.062 432 S CB 1.359 64.579 63.200 0.034 0.000 1.009 432 S HN 0.459 nan 8.310 nan 0.000 0.502 433 A N 4.339 127.170 122.820 0.019 0.000 2.021 433 A HA 0.147 4.471 4.320 0.008 0.000 0.216 433 A C 1.815 179.405 177.584 0.010 0.000 1.163 433 A CA 0.626 52.672 52.037 0.014 0.000 0.676 433 A CB -0.252 18.752 19.000 0.006 0.000 0.818 433 A HN 0.878 nan 8.150 nan 0.000 0.453 434 K N 0.018 120.417 120.400 -0.002 0.000 2.362 434 K HA -0.012 4.312 4.320 0.008 0.000 0.200 434 K C -0.211 176.389 176.600 -0.001 0.000 1.046 434 K CA 0.817 57.096 56.287 -0.014 0.000 0.952 434 K CB -0.106 32.363 32.500 -0.052 0.000 0.753 434 K HN 0.347 nan 8.250 nan 0.000 0.466 435 T N 1.740 116.302 114.554 0.012 0.000 2.799 435 T HA 0.117 4.471 4.350 0.008 0.000 0.286 435 T C -0.324 174.396 174.700 0.034 0.000 0.973 435 T CA -0.580 61.537 62.100 0.028 0.000 1.035 435 T CB 1.642 70.533 68.868 0.038 0.000 0.932 435 T HN 0.016 nan 8.240 nan 0.000 0.469 436 K N 3.361 123.783 120.400 0.037 0.000 2.349 436 K HA 0.329 4.654 4.320 0.008 0.000 0.289 436 K C -0.825 175.794 176.600 0.032 0.000 1.064 436 K CA -0.401 55.906 56.287 0.033 0.000 0.947 436 K CB 0.282 32.799 32.500 0.029 0.000 1.007 436 K HN 0.325 nan 8.250 nan 0.000 0.478 437 V N 5.448 125.381 119.914 0.033 0.000 2.407 437 V HA 0.243 4.368 4.120 0.008 0.000 0.278 437 V C -0.427 175.680 176.094 0.023 0.000 1.037 437 V CA -0.789 61.531 62.300 0.033 0.000 0.900 437 V CB 1.496 33.345 31.823 0.042 0.000 0.983 437 V HN 0.508 nan 8.190 nan 0.000 0.459 438 V N 6.000 125.921 119.914 0.011 0.000 2.407 438 V HA 0.419 4.544 4.120 0.008 0.000 0.291 438 V C -0.151 175.943 176.094 0.000 0.000 1.018 438 V CA -0.600 61.697 62.300 -0.004 0.000 0.842 438 V CB 1.914 33.712 31.823 -0.042 0.000 0.996 438 V HN 0.593 nan 8.190 nan 0.000 0.426 439 V N 4.328 124.246 119.914 0.007 0.000 2.481 439 V HA 0.567 4.692 4.120 0.008 0.000 0.286 439 V C 0.461 176.557 176.094 0.004 0.000 1.042 439 V CA -0.285 62.020 62.300 0.008 0.000 0.928 439 V CB 2.045 33.871 31.823 0.004 0.000 0.986 439 V HN 1.011 nan 8.190 nan 0.000 0.462 440 T N 4.019 118.576 114.554 0.006 0.000 2.833 440 T HA 0.803 5.157 4.350 0.008 0.000 0.297 440 T C -0.695 174.009 174.700 0.007 0.000 1.015 440 T CA -0.662 61.441 62.100 0.005 0.000 0.963 440 T CB 1.060 69.929 68.868 0.003 0.000 0.955 440 T HN 0.782 nan 8.240 nan 0.000 0.449 441 M N 0.660 120.261 119.600 0.002 0.000 2.644 441 M HA 0.645 5.130 4.480 0.008 0.000 0.273 441 M C -1.068 175.232 176.300 -0.000 0.000 1.253 441 M CA -0.970 54.328 55.300 -0.003 0.000 0.852 441 M CB 2.051 34.641 32.600 -0.018 0.000 1.708 441 M HN 0.515 nan 8.290 nan 0.000 0.471 442 E N 0.627 120.827 120.200 0.001 0.000 2.392 442 E HA 0.034 4.388 4.350 0.008 0.000 0.264 442 E C 0.225 176.844 176.600 0.031 0.000 1.024 442 E CA 0.295 56.705 56.400 0.016 0.000 0.903 442 E CB 0.735 30.441 29.700 0.010 0.000 0.963 442 E HN 0.801 nan 8.360 nan 0.000 0.432 443 H N 1.757 120.816 119.070 -0.017 0.000 2.290 443 H HA -0.069 4.491 4.556 0.007 0.000 0.298 443 H C 0.063 175.392 175.328 0.001 0.000 1.087 443 H CA 2.040 58.086 56.048 -0.003 0.000 1.291 443 H CB 0.355 30.120 29.762 0.005 0.000 1.369 443 H HN 0.282 nan 8.280 nan 0.000 0.492 444 S N -1.557 114.219 115.700 0.127 0.000 2.798 444 S HA 0.745 5.219 4.470 0.008 0.000 0.312 444 S C -0.456 174.171 174.600 0.045 0.000 1.122 444 S CA -0.547 57.707 58.200 0.090 0.000 0.949 444 S CB 1.959 65.248 63.200 0.149 0.000 1.235 444 S HN 0.528 nan 8.310 nan 0.000 0.552 445 A N 0.945 123.789 122.820 0.039 0.000 2.263 445 A HA 0.591 4.916 4.320 0.008 0.000 0.318 445 A C 1.396 178.988 177.584 0.014 0.000 1.111 445 A CA -0.588 51.458 52.037 0.015 0.000 0.901 445 A CB 0.120 19.120 19.000 0.001 0.000 1.280 445 A HN 0.799 nan 8.150 nan 0.000 0.503 446 K N -0.014 120.388 120.400 0.003 0.000 1.987 446 K HA -0.239 4.086 4.320 0.008 0.000 0.232 446 K C 1.236 177.838 176.600 0.004 0.000 1.034 446 K CA 2.430 58.718 56.287 0.001 0.000 1.013 446 K CB -1.572 30.925 32.500 -0.005 0.000 0.736 446 K HN 0.974 nan 8.250 nan 0.000 0.446 447 G N 1.179 109.978 108.800 -0.002 0.000 3.379 447 G HA2 -0.002 3.962 3.960 0.008 0.000 0.253 447 G HA3 -0.002 3.962 3.960 0.008 0.000 0.253 447 G C 0.049 174.954 174.900 0.008 0.000 1.262 447 G CA 0.279 45.378 45.100 -0.001 0.000 0.959 447 G HN 0.687 nan 8.290 nan 0.000 0.524 448 N N -1.652 117.061 118.700 0.023 0.000 2.815 448 N HA -0.146 4.598 4.740 0.008 0.000 0.248 448 N C 0.500 176.050 175.510 0.067 0.000 1.110 448 N CA 0.696 53.778 53.050 0.055 0.000 0.699 448 N CB -1.392 37.132 38.487 0.061 0.000 1.040 448 N HN 0.636 nan 8.380 nan 0.000 0.555 449 A N 0.054 122.889 122.820 0.024 0.000 2.327 449 A HA 0.435 4.760 4.320 0.008 0.000 0.255 449 A C 0.081 177.729 177.584 0.106 0.000 1.099 449 A CA -0.054 51.966 52.037 -0.027 0.000 0.801 449 A CB 0.176 19.145 19.000 -0.051 0.000 1.062 449 A HN 0.552 nan 8.150 nan 0.000 0.496 450 H N -0.355 118.709 119.070 -0.010 0.000 2.511 450 H HA 0.277 4.837 4.556 0.007 0.000 0.346 450 H C 0.292 175.578 175.328 -0.069 0.000 1.128 450 H CA -0.433 55.596 56.048 -0.032 0.000 1.342 450 H CB 1.217 30.966 29.762 -0.022 0.000 1.470 450 H HN 0.691 nan 8.280 nan 0.000 0.546 451 K N 1.810 122.208 120.400 -0.003 0.000 2.424 451 K HA 0.216 4.540 4.320 0.008 0.000 0.198 451 K C 0.207 176.726 176.600 -0.135 0.000 1.190 451 K CA 0.296 56.537 56.287 -0.077 0.000 0.935 451 K CB 0.939 33.370 32.500 -0.115 0.000 1.087 451 K HN 0.458 nan 8.250 nan 0.000 0.524 452 I N 4.455 124.887 120.570 -0.230 0.000 2.261 452 I HA 0.157 4.332 4.170 0.008 0.000 0.285 452 I C 0.357 176.355 176.117 -0.199 0.000 1.113 452 I CA -0.384 60.739 61.300 -0.295 0.000 1.377 452 I CB -0.113 37.546 38.000 -0.569 0.000 1.530 452 I HN 0.186 nan 8.210 nan 0.000 0.607 453 M N 0.496 120.039 119.600 -0.095 0.000 2.474 453 M HA 0.401 4.886 4.480 0.008 0.000 0.238 453 M C 1.204 177.481 176.300 -0.039 0.000 1.111 453 M CA -0.214 55.067 55.300 -0.031 0.000 1.025 453 M CB 0.633 33.253 32.600 0.033 0.000 1.348 453 M HN 0.166 nan 8.290 nan 0.000 0.579 454 E N 1.018 121.215 120.200 -0.006 0.000 2.076 454 E HA -0.043 4.312 4.350 0.008 0.000 0.190 454 E C -0.480 176.129 176.600 0.015 0.000 0.979 454 E CA 1.004 57.403 56.400 -0.002 0.000 0.807 454 E CB 0.385 30.094 29.700 0.016 0.000 0.761 454 E HN 0.658 nan 8.360 nan 0.000 0.454 455 K N -0.079 120.331 120.400 0.015 0.000 2.443 455 K HA 0.341 4.665 4.320 0.008 0.000 0.251 455 K C -0.760 175.844 176.600 0.008 0.000 0.972 455 K CA -0.711 55.586 56.287 0.018 0.000 0.833 455 K CB 1.297 33.809 32.500 0.019 0.000 1.317 455 K HN 0.155 nan 8.250 nan 0.000 0.441 456 C N 0.706 120.011 119.300 0.009 0.000 2.218 456 C HA 0.287 4.751 4.460 0.008 0.000 0.353 456 C C 0.943 175.927 174.990 -0.010 0.000 1.070 456 C CA -0.502 58.516 59.018 0.000 0.000 1.497 456 C CB -1.423 26.324 27.740 0.011 0.000 1.951 456 C HN 0.829 nan 8.230 nan 0.000 0.493 457 T N 3.420 117.964 114.554 -0.017 0.000 2.822 457 T HA -0.085 4.269 4.350 0.008 0.000 0.270 457 T C 0.821 175.499 174.700 -0.037 0.000 1.064 457 T CA 1.351 63.436 62.100 -0.025 0.000 1.131 457 T CB -0.191 68.660 68.868 -0.028 0.000 0.858 457 T HN 0.736 nan 8.240 nan 0.000 0.483 458 L N 0.534 121.729 121.223 -0.048 0.000 2.334 458 L HA 0.414 4.758 4.340 0.008 0.000 0.270 458 L C -2.503 174.325 176.870 -0.071 0.000 1.018 458 L CA -2.973 51.818 54.840 -0.083 0.000 0.811 458 L CB 0.937 42.927 42.059 -0.114 0.000 1.271 458 L HN -0.264 nan 8.230 nan 0.000 0.443 459 P HA -0.004 nan 4.420 nan 0.000 0.258 459 P C -0.417 176.946 177.300 0.105 0.000 1.172 459 P CA 0.291 63.374 63.100 -0.028 0.000 0.762 459 P CB 0.223 31.839 31.700 -0.140 0.000 0.764 460 L N 2.901 124.221 121.223 0.163 0.000 2.483 460 L HA -0.009 4.335 4.340 0.008 0.000 0.275 460 L C 1.659 178.759 176.870 0.384 0.000 1.220 460 L CA 0.662 55.623 54.840 0.201 0.000 0.833 460 L CB 0.134 42.253 42.059 0.100 0.000 1.102 460 L HN 0.445 nan 8.230 nan 0.000 0.490 461 T N 0.061 114.799 114.554 0.307 0.000 3.045 461 T HA 0.199 4.554 4.350 0.008 0.000 0.239 461 T C 0.419 175.169 174.700 0.083 0.000 1.008 461 T CA 0.546 62.781 62.100 0.225 0.000 1.143 461 T CB 0.571 69.577 68.868 0.231 0.000 0.894 461 T HN 0.780 nan 8.240 nan 0.000 0.451 462 G N 1.022 109.877 108.800 0.091 0.000 2.750 462 G HA2 0.480 4.445 3.960 0.008 0.000 0.298 462 G HA3 0.480 4.445 3.960 0.008 0.000 0.298 462 G C -1.503 173.440 174.900 0.072 0.000 1.412 462 G CA -0.855 44.286 45.100 0.068 0.000 1.078 462 G HN 0.037 nan 8.290 nan 0.000 0.573 463 K N 2.363 122.805 120.400 0.069 0.000 2.447 463 K HA 0.120 4.444 4.320 0.008 0.000 0.281 463 K C 1.057 177.713 176.600 0.093 0.000 1.031 463 K CA 0.270 56.603 56.287 0.078 0.000 1.019 463 K CB 0.420 32.974 32.500 0.090 0.000 0.918 463 K HN 0.792 nan 8.250 nan 0.000 0.476 464 Q N 0.696 120.551 119.800 0.092 0.000 2.388 464 Q HA -0.312 4.033 4.340 0.008 0.000 0.346 464 Q C -0.194 175.853 176.000 0.079 0.000 1.319 464 Q CA 0.563 56.425 55.803 0.098 0.000 1.023 464 Q CB -2.514 26.275 28.738 0.084 0.000 1.247 464 Q HN 0.610 nan 8.270 nan 0.000 0.411 465 C N -0.591 118.753 119.300 0.074 0.000 3.019 465 C HA 0.259 4.724 4.460 0.008 0.000 0.295 465 C C 1.022 176.047 174.990 0.057 0.000 1.256 465 C CA -0.031 59.024 59.018 0.063 0.000 1.706 465 C CB 0.418 28.197 27.740 0.065 0.000 2.153 465 C HN 0.598 nan 8.230 nan 0.000 0.618 466 V N 2.834 122.782 119.914 0.058 0.000 2.583 466 V HA 0.150 4.275 4.120 0.008 0.000 0.287 466 V C 0.378 176.501 176.094 0.048 0.000 1.051 466 V CA 0.622 62.950 62.300 0.047 0.000 1.010 466 V CB 1.196 33.040 31.823 0.035 0.000 0.988 466 V HN 0.481 nan 8.190 nan 0.000 0.478 467 N N 2.426 121.151 118.700 0.042 0.000 2.348 467 N HA 0.219 4.964 4.740 0.008 0.000 0.183 467 N C 0.388 175.926 175.510 0.045 0.000 1.094 467 N CA -0.124 52.952 53.050 0.044 0.000 0.885 467 N CB 0.567 39.077 38.487 0.038 0.000 1.065 467 N HN 0.637 nan 8.380 nan 0.000 0.472 468 R N 0.601 121.124 120.500 0.039 0.000 2.604 468 R HA 0.439 4.784 4.340 0.008 0.000 0.270 468 R C -2.054 174.274 176.300 0.047 0.000 1.052 468 R CA -0.466 55.663 56.100 0.049 0.000 0.902 468 R CB 1.192 31.512 30.300 0.033 0.000 1.233 468 R HN -0.084 nan 8.270 nan 0.000 0.455 469 I N 5.501 126.125 120.570 0.089 0.000 2.389 469 I HA 0.405 4.580 4.170 0.008 0.000 0.288 469 I C -0.341 175.861 176.117 0.141 0.000 0.999 469 I CA -0.786 60.566 61.300 0.086 0.000 1.129 469 I CB 1.873 39.897 38.000 0.039 0.000 1.288 469 I HN 0.447 nan 8.210 nan 0.000 0.444 470 I N 5.280 125.896 120.570 0.077 0.000 2.389 470 I HA 0.415 4.589 4.170 0.008 0.000 0.288 470 I C 0.077 176.236 176.117 0.070 0.000 0.999 470 I CA -0.126 61.215 61.300 0.068 0.000 1.129 470 I CB 2.112 40.122 38.000 0.016 0.000 1.288 470 I HN 0.549 nan 8.210 nan 0.000 0.444 471 T N 2.620 117.237 114.554 0.106 0.000 2.742 471 T HA 0.239 4.594 4.350 0.008 0.000 0.282 471 T C 0.948 175.673 174.700 0.041 0.000 1.025 471 T CA -0.431 61.733 62.100 0.106 0.000 1.020 471 T CB 1.423 70.444 68.868 0.255 0.000 1.317 471 T HN 0.755 nan 8.240 nan 0.000 0.538 472 E N 0.666 120.862 120.200 -0.007 0.000 2.110 472 E HA -0.104 4.251 4.350 0.008 0.000 0.193 472 E C 1.561 178.034 176.600 -0.212 0.000 0.988 472 E CA 1.122 57.420 56.400 -0.171 0.000 0.804 472 E CB -0.008 29.587 29.700 -0.175 0.000 0.745 472 E HN 0.513 nan 8.360 nan 0.000 0.458 473 K N 0.300 120.645 120.400 -0.091 0.000 2.166 473 K HA 0.260 4.585 4.320 0.008 0.000 0.201 473 K C 0.777 177.364 176.600 -0.021 0.000 1.052 473 K CA 0.764 56.980 56.287 -0.119 0.000 0.969 473 K CB 0.564 32.831 32.500 -0.389 0.000 0.761 473 K HN 0.179 nan 8.250 nan 0.000 0.459 474 A N 0.319 123.148 122.820 0.015 0.000 2.529 474 A HA 0.632 4.957 4.320 0.008 0.000 0.296 474 A C -1.604 175.922 177.584 -0.096 0.000 1.205 474 A CA -0.651 51.313 52.037 -0.120 0.000 0.671 474 A CB 1.574 20.312 19.000 -0.436 0.000 1.301 474 A HN -0.118 nan 8.150 nan 0.000 0.450 475 V N 0.585 120.329 119.914 -0.284 0.000 2.524 475 V HA 0.553 4.677 4.120 0.008 0.000 0.297 475 V C -1.639 174.291 176.094 -0.274 0.000 1.035 475 V CA -0.174 62.047 62.300 -0.132 0.000 0.867 475 V CB 0.958 32.742 31.823 -0.065 0.000 1.004 475 V HN 0.618 nan 8.190 nan 0.000 0.426 476 F N 1.846 121.764 119.950 -0.054 0.000 2.480 476 F HA 0.612 5.143 4.527 0.006 0.000 0.329 476 F C 0.375 176.158 175.800 -0.029 0.000 1.091 476 F CA -0.809 57.155 58.000 -0.060 0.000 0.972 476 F CB 1.313 40.256 39.000 -0.096 0.000 1.150 476 F HN 0.347 nan 8.300 nan 0.000 0.467 477 D N 1.202 121.700 120.400 0.164 0.000 2.193 477 D HA 0.582 5.227 4.640 0.008 0.000 0.249 477 D C -0.967 175.402 176.300 0.116 0.000 1.034 477 D CA -0.057 54.006 54.000 0.106 0.000 0.902 477 D CB 2.056 42.899 40.800 0.072 0.000 1.182 477 D HN 0.165 nan 8.370 nan 0.000 0.436 478 V N 2.113 122.079 119.914 0.087 0.000 2.443 478 V HA 0.293 4.418 4.120 0.008 0.000 0.293 478 V C -0.598 175.550 176.094 0.091 0.000 1.021 478 V CA -0.865 61.483 62.300 0.080 0.000 0.848 478 V CB 1.814 33.674 31.823 0.060 0.000 0.998 478 V HN 0.451 nan 8.190 nan 0.000 0.424 479 D N 3.086 123.553 120.400 0.112 0.000 2.278 479 D HA 0.395 5.040 4.640 0.008 0.000 0.245 479 D C 1.412 177.844 176.300 0.219 0.000 1.052 479 D CA -0.762 53.316 54.000 0.130 0.000 0.834 479 D CB 1.514 42.382 40.800 0.113 0.000 1.194 479 D HN 0.487 nan 8.370 nan 0.000 0.481 480 R N 3.180 123.787 120.500 0.178 0.000 2.193 480 R HA -0.093 4.252 4.340 0.008 0.000 0.229 480 R C 0.545 176.904 176.300 0.099 0.000 1.110 480 R CA 1.073 57.278 56.100 0.176 0.000 0.988 480 R CB -0.143 30.186 30.300 0.049 0.000 0.871 480 R HN 0.389 nan 8.270 nan 0.000 0.458 481 K N 0.451 120.937 120.400 0.144 0.000 2.365 481 K HA 0.149 4.473 4.320 0.008 0.000 0.195 481 K C 1.561 178.319 176.600 0.264 0.000 1.079 481 K CA 0.268 56.625 56.287 0.117 0.000 0.979 481 K CB 0.564 33.095 32.500 0.051 0.000 0.929 481 K HN 0.107 nan 8.250 nan 0.000 0.523 482 K N 0.393 120.937 120.400 0.239 0.000 2.352 482 K HA 0.145 4.470 4.320 0.008 0.000 0.194 482 K C 0.681 177.366 176.600 0.142 0.000 1.038 482 K CA 0.397 56.790 56.287 0.176 0.000 1.023 482 K CB 0.930 33.497 32.500 0.111 0.000 0.840 482 K HN 0.234 nan 8.250 nan 0.000 0.519 483 G N 1.802 110.691 108.800 0.148 0.000 2.693 483 G HA2 -0.275 3.690 3.960 0.008 0.000 0.226 483 G HA3 -0.275 3.690 3.960 0.008 0.000 0.226 483 G C -0.400 174.490 174.900 -0.018 0.000 1.354 483 G CA -0.816 44.208 45.100 -0.127 0.000 0.873 483 G HN 0.088 nan 8.290 nan 0.000 0.562 484 L N 0.169 121.367 121.223 -0.042 0.000 2.499 484 L HA 0.491 4.836 4.340 0.008 0.000 0.281 484 L C 1.196 178.187 176.870 0.202 0.000 1.234 484 L CA 1.146 56.040 54.840 0.091 0.000 0.839 484 L CB 0.870 42.982 42.059 0.089 0.000 1.104 484 L HN 1.064 nan 8.230 nan 0.000 0.500 485 T N 2.937 117.654 114.554 0.273 0.000 3.829 485 T HA 0.212 4.567 4.350 0.008 0.000 0.332 485 T C -0.912 173.882 174.700 0.157 0.000 0.845 485 T CA -0.743 61.496 62.100 0.232 0.000 1.010 485 T CB 0.285 69.235 68.868 0.136 0.000 1.051 485 T HN 0.339 nan 8.240 nan 0.000 0.465 486 L N 7.061 128.346 121.223 0.104 0.000 2.559 486 L HA 0.419 4.764 4.340 0.008 0.000 0.274 486 L C 1.038 177.834 176.870 -0.124 0.000 1.205 486 L CA 0.756 55.430 54.840 -0.276 0.000 0.907 486 L CB 0.050 41.930 42.059 -0.298 0.000 1.153 486 L HN 0.776 nan 8.230 nan 0.000 0.490 487 I N -0.278 120.189 120.570 -0.170 0.000 4.403 487 I HA 0.475 4.650 4.170 0.008 0.000 0.331 487 I C -0.061 175.999 176.117 -0.095 0.000 1.327 487 I CA -0.214 61.036 61.300 -0.083 0.000 1.175 487 I CB 0.259 38.234 38.000 -0.042 0.000 1.165 487 I HN 0.532 nan 8.210 nan 0.000 0.413 488 E N 1.652 121.762 120.200 -0.150 0.000 2.352 488 E HA 0.586 4.940 4.350 0.008 0.000 0.280 488 E C -1.998 174.518 176.600 -0.140 0.000 0.930 488 E CA -0.760 55.573 56.400 -0.113 0.000 0.765 488 E CB 3.461 33.117 29.700 -0.074 0.000 1.219 488 E HN 0.062 nan 8.360 nan 0.000 0.434 489 L N 2.248 123.419 121.223 -0.087 0.000 2.408 489 L HA 0.429 4.773 4.340 0.008 0.000 0.268 489 L C -1.244 175.631 176.870 0.008 0.000 0.986 489 L CA -0.484 54.321 54.840 -0.057 0.000 0.820 489 L CB 1.521 43.541 42.059 -0.064 0.000 1.303 489 L HN 0.673 nan 8.230 nan 0.000 0.411 490 W N 6.124 127.361 121.300 -0.105 0.000 2.322 490 W HA 0.110 4.777 4.660 0.011 0.000 0.328 490 W C 0.072 176.552 176.519 -0.065 0.000 1.395 490 W CA -0.287 57.011 57.345 -0.079 0.000 1.267 490 W CB 0.720 30.134 29.460 -0.078 0.000 1.259 490 W HN 0.718 nan 8.180 nan 0.000 0.560 491 E N 4.623 124.369 120.200 -0.757 0.000 2.729 491 E HA 0.097 4.452 4.350 0.008 0.000 0.246 491 E C 0.884 177.266 176.600 -0.364 0.000 0.984 491 E CA 1.175 57.249 56.400 -0.542 0.000 0.951 491 E CB 0.075 29.406 29.700 -0.615 0.000 0.914 491 E HN 0.752 nan 8.360 nan 0.000 0.509 492 G N 2.865 111.580 108.800 -0.142 0.000 2.278 492 G HA2 -0.225 3.740 3.960 0.008 0.000 0.210 492 G HA3 -0.225 3.740 3.960 0.008 0.000 0.210 492 G C 0.188 175.105 174.900 0.029 0.000 1.000 492 G CA -0.074 45.006 45.100 -0.033 0.000 0.635 492 G HN 0.437 nan 8.290 nan 0.000 0.495 493 L N 1.720 122.977 121.223 0.056 0.000 2.416 493 L HA 0.709 5.054 4.340 0.008 0.000 0.262 493 L C 1.147 178.030 176.870 0.022 0.000 1.093 493 L CA -0.069 54.806 54.840 0.058 0.000 0.801 493 L CB 1.527 43.639 42.059 0.087 0.000 1.191 493 L HN 0.421 nan 8.230 nan 0.000 0.459 494 T N -2.867 111.701 114.554 0.023 0.000 2.930 494 T HA 0.332 4.686 4.350 0.008 0.000 0.290 494 T C 0.883 175.609 174.700 0.044 0.000 1.052 494 T CA -0.824 61.290 62.100 0.023 0.000 1.017 494 T CB 1.669 70.551 68.868 0.023 0.000 1.137 494 T HN 0.170 nan 8.240 nan 0.000 0.511 495 V N 1.053 121.004 119.914 0.061 0.000 2.568 495 V HA -0.136 3.989 4.120 0.008 0.000 0.253 495 V C 2.262 178.448 176.094 0.154 0.000 1.072 495 V CA 2.014 64.392 62.300 0.130 0.000 1.084 495 V CB -0.900 30.992 31.823 0.114 0.000 0.676 495 V HN 0.861 nan 8.190 nan 0.000 0.469 496 D N 0.040 120.492 120.400 0.086 0.000 2.097 496 D HA -0.134 4.511 4.640 0.008 0.000 0.197 496 D C 1.956 178.307 176.300 0.084 0.000 0.984 496 D CA 1.274 55.319 54.000 0.076 0.000 0.826 496 D CB -0.339 40.487 40.800 0.044 0.000 0.973 496 D HN 0.410 nan 8.370 nan 0.000 0.460 497 D N 0.517 120.952 120.400 0.058 0.000 2.116 497 D HA -0.158 4.486 4.640 0.008 0.000 0.193 497 D C 2.165 178.485 176.300 0.033 0.000 0.998 497 D CA 0.582 54.602 54.000 0.033 0.000 0.836 497 D CB -0.207 40.597 40.800 0.008 0.000 0.951 497 D HN 0.194 nan 8.370 nan 0.000 0.449 498 I N 1.075 121.677 120.570 0.053 0.000 2.127 498 I HA -0.231 3.944 4.170 0.008 0.000 0.241 498 I C 2.388 178.651 176.117 0.244 0.000 1.075 498 I CA 1.058 62.398 61.300 0.067 0.000 1.334 498 I CB -1.033 36.990 38.000 0.038 0.000 1.040 498 I HN 0.058 nan 8.210 nan 0.000 0.405 499 K N 0.883 121.504 120.400 0.368 0.000 2.103 499 K HA -0.210 4.115 4.320 0.008 0.000 0.207 499 K C 2.151 178.847 176.600 0.160 0.000 1.048 499 K CA 1.321 57.818 56.287 0.351 0.000 0.930 499 K CB 0.120 32.730 32.500 0.183 0.000 0.716 499 K HN 0.119 nan 8.250 nan 0.000 0.444 500 K N 0.169 120.641 120.400 0.120 0.000 2.026 500 K HA -0.070 4.254 4.320 0.008 0.000 0.208 500 K C 2.209 178.873 176.600 0.106 0.000 1.048 500 K CA 1.626 57.973 56.287 0.100 0.000 0.929 500 K CB -0.291 32.258 32.500 0.081 0.000 0.713 500 K HN 0.090 nan 8.250 nan 0.000 0.439 501 S N 0.462 116.224 115.700 0.103 0.000 2.436 501 S HA -0.011 4.463 4.470 0.008 0.000 0.228 501 S C 0.808 175.451 174.600 0.071 0.000 1.014 501 S CA 0.480 58.779 58.200 0.166 0.000 0.950 501 S CB 0.093 63.408 63.200 0.191 0.000 0.784 501 S HN 0.308 nan 8.310 nan 0.000 0.504 502 T N 1.500 116.064 114.554 0.017 0.000 2.913 502 T HA 0.399 4.753 4.350 0.008 0.000 0.297 502 T C 1.498 175.793 174.700 -0.674 0.000 1.029 502 T CA 0.031 62.031 62.100 -0.167 0.000 1.104 502 T CB 1.412 70.325 68.868 0.075 0.000 0.964 502 T HN 0.280 nan 8.240 nan 0.000 0.532 503 G N 0.617 109.115 108.800 -0.503 0.000 2.679 503 G HA2 -0.081 3.883 3.960 0.008 0.000 0.214 503 G HA3 -0.081 3.883 3.960 0.008 0.000 0.214 503 G C 0.806 175.668 174.900 -0.064 0.000 1.315 503 G CA 0.304 45.250 45.100 -0.257 0.000 0.836 503 G HN 0.747 nan 8.290 nan 0.000 0.580 504 C N 0.140 119.424 119.300 -0.027 0.000 2.422 504 C HA 0.487 4.952 4.460 0.008 0.000 0.364 504 C C 0.797 175.819 174.990 0.054 0.000 1.251 504 C CA -0.998 58.023 59.018 0.006 0.000 2.441 504 C CB 0.801 28.527 27.740 -0.023 0.000 2.393 504 C HN 0.622 nan 8.230 nan 0.000 0.606 505 D N 0.217 120.637 120.400 0.034 0.000 2.300 505 D HA 0.257 4.901 4.640 0.008 0.000 0.235 505 D C -0.623 175.771 176.300 0.156 0.000 1.338 505 D CA 0.871 54.879 54.000 0.014 0.000 0.903 505 D CB 0.286 41.048 40.800 -0.062 0.000 1.180 505 D HN 0.472 nan 8.370 nan 0.000 0.485 506 F N -2.665 117.295 119.950 0.016 0.000 2.725 506 F HA 0.603 5.136 4.527 0.009 0.000 0.311 506 F C -1.092 174.741 175.800 0.055 0.000 1.121 506 F CA -1.196 56.837 58.000 0.054 0.000 0.978 506 F CB 0.259 39.364 39.000 0.175 0.000 1.274 506 F HN 0.316 nan 8.300 nan 0.000 0.440 507 A N 1.370 124.331 122.820 0.235 0.000 2.259 507 A HA 0.843 5.168 4.320 0.008 0.000 0.278 507 A C -1.005 176.733 177.584 0.257 0.000 1.107 507 A CA -0.624 51.489 52.037 0.126 0.000 0.828 507 A CB 0.974 20.035 19.000 0.102 0.000 1.111 507 A HN 1.079 nan 8.150 nan 0.000 0.498 508 V N 0.388 120.382 119.914 0.134 0.000 2.638 508 V HA 0.409 4.534 4.120 0.008 0.000 0.306 508 V C 0.307 176.444 176.094 0.073 0.000 1.052 508 V CA -0.524 61.860 62.300 0.140 0.000 0.885 508 V CB 1.694 33.579 31.823 0.103 0.000 0.999 508 V HN 0.949 nan 8.190 nan 0.000 0.424 509 S N 5.492 121.225 115.700 0.055 0.000 2.510 509 S HA 0.280 4.755 4.470 0.008 0.000 0.279 509 S C -1.640 172.970 174.600 0.016 0.000 1.284 509 S CA -0.945 57.273 58.200 0.030 0.000 1.059 509 S CB 1.056 64.264 63.200 0.015 0.000 0.901 509 S HN 0.610 nan 8.310 nan 0.000 0.491 510 P HA 0.076 nan 4.420 nan 0.000 0.242 510 P C -0.257 177.043 177.300 0.000 0.000 1.198 510 P CA 0.619 63.723 63.100 0.007 0.000 0.756 510 P CB 0.101 31.805 31.700 0.007 0.000 0.911 511 K N -1.630 118.769 120.400 -0.001 0.000 2.469 511 K HA 0.190 4.514 4.320 0.008 0.000 0.204 511 K C -0.009 176.581 176.600 -0.016 0.000 1.047 511 K CA -0.556 55.726 56.287 -0.008 0.000 1.072 511 K CB -0.248 32.249 32.500 -0.006 0.000 0.863 511 K HN -0.024 nan 8.250 nan 0.000 0.530 512 L N 2.634 123.847 121.223 -0.016 0.000 2.628 512 L HA 0.033 4.377 4.340 0.008 0.000 0.292 512 L C -0.088 176.759 176.870 -0.038 0.000 1.250 512 L CA 0.848 55.671 54.840 -0.029 0.000 0.892 512 L CB 0.006 42.053 42.059 -0.021 0.000 1.138 512 L HN 0.381 nan 8.230 nan 0.000 0.502 513 I N 1.414 121.954 120.570 -0.051 0.000 3.195 513 I HA 0.628 4.803 4.170 0.008 0.000 0.313 513 I C -2.700 173.371 176.117 -0.077 0.000 1.237 513 I CA -2.654 58.611 61.300 -0.058 0.000 0.963 513 I CB 1.954 39.924 38.000 -0.051 0.000 1.278 513 I HN 0.361 nan 8.210 nan 0.000 0.460 514 P HA 0.160 nan 4.420 nan 0.000 0.271 514 P C -0.405 176.822 177.300 -0.123 0.000 1.216 514 P CA -0.171 62.842 63.100 -0.145 0.000 0.771 514 P CB 0.512 32.095 31.700 -0.194 0.000 0.864 515 M N 3.365 122.908 119.600 -0.095 0.000 2.290 515 M HA -0.074 4.411 4.480 0.008 0.000 0.356 515 M C 0.229 176.513 176.300 -0.027 0.000 1.448 515 M CA 0.742 56.043 55.300 0.002 0.000 0.993 515 M CB 0.018 32.741 32.600 0.204 0.000 1.934 515 M HN 0.394 nan 8.290 nan 0.000 0.461 516 Q N 3.329 123.125 119.800 -0.007 0.000 2.443 516 Q HA 0.224 4.568 4.340 0.008 0.000 0.232 516 Q C -0.838 175.179 176.000 0.027 0.000 1.026 516 Q CA -0.141 55.655 55.803 -0.012 0.000 0.924 516 Q CB 0.816 29.548 28.738 -0.010 0.000 1.256 516 Q HN 0.573 nan 8.270 nan 0.000 0.519 517 Q N 0.196 120.003 119.800 0.012 0.000 2.391 517 Q HA 0.346 4.691 4.340 0.008 0.000 0.279 517 Q C -1.051 174.955 176.000 0.009 0.000 1.028 517 Q CA -0.590 55.227 55.803 0.023 0.000 0.836 517 Q CB 2.087 30.852 28.738 0.045 0.000 1.414 517 Q HN 0.606 nan 8.270 nan 0.000 0.397 518 V N -0.947 118.970 119.914 0.005 0.000 3.003 518 V HA 0.926 5.050 4.120 0.008 0.000 0.305 518 V C -0.103 176.012 176.094 0.035 0.000 1.078 518 V CA -0.079 62.240 62.300 0.032 0.000 1.083 518 V CB 1.085 32.950 31.823 0.070 0.000 1.039 518 V HN 0.965 nan 8.190 nan 0.000 0.481 519 T N -0.452 114.133 114.554 0.051 0.000 3.633 519 T HA 0.372 4.727 4.350 0.008 0.000 0.441 519 T C -0.235 174.488 174.700 0.038 0.000 1.224 519 T CA -0.089 62.041 62.100 0.051 0.000 1.054 519 T CB -0.891 67.998 68.868 0.035 0.000 1.388 519 T HN 2.716 nan 8.240 nan 0.000 0.430 520 T N 0.000 114.578 114.554 0.041 0.000 3.816 520 T HA 0.000 4.355 4.350 0.008 0.000 0.228 520 T CA 0.000 62.117 62.100 0.028 0.000 1.349 520 T CB 0.000 68.880 68.868 0.020 0.000 0.612 520 T HN 0.000 nan 8.240 nan 0.000 0.658