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 3m4e_1_B DATA FIRST_RESID 1 DATA SEQUENCE ADSDINIKTG TTDIGSNTTV KTGDLVTYDK ENGMHKKVFY SFIDDKNHNK DATA SEQUENCE KLLVIRTKGT IAGQYRVYSE EGANKSGLAW PSAFKVQLQL PDNEVAQISD DATA SEQUENCE YYPRNSIDTK EYNSTLTYGF NGNVTGDDTG KIGGLIGANV SIGHTLKYVQ DATA SEQUENCE PDFKTILESP TDKKVGWKVI FNNMVNQNWG PYDRDSWNPV YGNQLFMKTR DATA SEQUENCE NGSMKAADNF LDPNKASSLL SSGFSPDFAT VITMDRKASK QQTNIDVIYE DATA SEQUENCE RVRDDYQLHW TSTNWKGTNT KDKWTDRSSE RYKIDWEKEE MTN VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.586 177.584 0.004 0.000 1.274 1 A CA 0.000 52.040 52.037 0.005 0.000 0.836 1 A CB 0.000 19.003 19.000 0.005 0.000 0.831 2 D N 1.493 121.894 120.400 0.001 0.000 2.157 2 D HA -0.240 4.400 4.640 -0.000 0.000 0.191 2 D C 2.315 178.616 176.300 0.002 0.000 1.004 2 D CA 2.365 56.365 54.000 0.001 0.000 0.854 2 D CB -0.099 40.700 40.800 -0.002 0.000 0.936 2 D HN 0.836 nan 8.370 nan 0.000 0.446 3 S N 0.767 116.468 115.700 0.002 0.000 2.419 3 S HA -0.175 4.295 4.470 -0.000 0.000 0.235 3 S C 1.429 176.031 174.600 0.004 0.000 1.019 3 S CA 1.114 59.316 58.200 0.003 0.000 0.982 3 S CB -0.146 63.055 63.200 0.002 0.000 0.789 3 S HN 0.144 nan 8.310 nan 0.000 0.490 4 D N 2.123 122.526 120.400 0.005 0.000 2.264 4 D HA 0.001 4.641 4.640 -0.000 0.000 0.208 4 D C 1.504 177.808 176.300 0.006 0.000 0.966 4 D CA 1.263 55.267 54.000 0.006 0.000 0.864 4 D CB -0.174 40.631 40.800 0.008 0.000 0.933 4 D HN 0.773 nan 8.370 nan 0.000 0.499 5 I N -2.561 118.013 120.570 0.006 0.000 3.816 5 I HA 0.245 4.415 4.170 -0.000 0.000 0.334 5 I C -0.751 175.369 176.117 0.005 0.000 1.551 5 I CA -0.483 60.820 61.300 0.006 0.000 1.153 5 I CB -0.462 37.542 38.000 0.007 0.000 1.197 5 I HN -0.290 nan 8.210 nan 0.000 0.439 6 N N 1.379 120.082 118.700 0.004 0.000 2.725 6 N HA -0.164 4.576 4.740 -0.000 0.000 0.249 6 N C -0.600 174.913 175.510 0.003 0.000 1.103 6 N CA 0.797 53.849 53.050 0.004 0.000 0.707 6 N CB -1.278 37.211 38.487 0.004 0.000 1.043 6 N HN 0.571 nan 8.380 nan 0.000 0.553 7 I N -0.364 120.208 120.570 0.003 0.000 2.530 7 I HA 0.265 4.435 4.170 -0.000 0.000 0.297 7 I C 0.496 176.614 176.117 0.001 0.000 1.011 7 I CA -1.119 60.183 61.300 0.003 0.000 1.107 7 I CB 1.557 39.559 38.000 0.003 0.000 1.285 7 I HN -0.132 nan 8.210 nan 0.000 0.436 8 K N 3.236 123.636 120.400 0.001 0.000 2.491 8 K HA 0.060 4.380 4.320 -0.000 0.000 0.279 8 K C -0.307 176.292 176.600 -0.002 0.000 1.026 8 K CA 0.398 56.685 56.287 -0.000 0.000 1.070 8 K CB 0.119 32.619 32.500 0.000 0.000 0.887 8 K HN 0.522 nan 8.250 nan 0.000 0.481 9 T N 2.708 117.261 114.554 -0.003 0.000 2.933 9 T HA 0.175 4.525 4.350 -0.000 0.000 0.306 9 T C 1.316 176.011 174.700 -0.007 0.000 1.045 9 T CA 1.144 63.241 62.100 -0.005 0.000 1.143 9 T CB 0.234 69.098 68.868 -0.006 0.000 1.003 9 T HN 0.780 nan 8.240 nan 0.000 0.540 10 G N 2.881 111.674 108.800 -0.010 0.000 2.184 10 G HA2 -0.345 3.615 3.960 -0.000 0.000 0.264 10 G HA3 -0.345 3.615 3.960 -0.000 0.000 0.264 10 G C 1.139 176.032 174.900 -0.011 0.000 0.975 10 G CA 0.687 45.780 45.100 -0.013 0.000 0.642 10 G HN 0.765 nan 8.290 nan 0.000 0.536 11 T N 0.797 115.347 114.554 -0.007 0.000 2.759 11 T HA -0.081 4.268 4.350 -0.000 0.000 0.269 11 T C 2.537 177.235 174.700 -0.004 0.000 1.042 11 T CA 2.634 64.732 62.100 -0.003 0.000 1.140 11 T CB -0.396 68.473 68.868 0.000 0.000 0.864 11 T HN 1.075 nan 8.240 nan 0.000 0.455 12 T N -0.716 113.834 114.554 -0.006 0.000 3.107 12 T HA 0.116 4.466 4.350 -0.000 0.000 0.249 12 T C 0.235 174.919 174.700 -0.026 0.000 1.096 12 T CA -0.385 61.711 62.100 -0.007 0.000 1.012 12 T CB -0.058 68.810 68.868 -0.000 0.000 0.977 12 T HN 0.085 nan 8.240 nan 0.000 0.527 13 D N 1.499 121.880 120.400 -0.033 0.000 2.362 13 D HA 0.345 4.985 4.640 -0.000 0.000 0.242 13 D C 0.288 176.542 176.300 -0.077 0.000 1.132 13 D CA -0.303 53.665 54.000 -0.054 0.000 0.907 13 D CB 1.061 41.836 40.800 -0.042 0.000 1.195 13 D HN 0.341 nan 8.370 nan 0.000 0.429 14 I N 0.004 120.501 120.570 -0.122 0.000 2.499 14 I HA 0.380 4.550 4.170 -0.000 0.000 0.296 14 I C 1.507 177.577 176.117 -0.079 0.000 0.992 14 I CA -0.009 61.194 61.300 -0.162 0.000 1.297 14 I CB 1.521 39.335 38.000 -0.311 0.000 1.410 14 I HN 0.646 nan 8.210 nan 0.000 0.507 15 G N 3.176 111.949 108.800 -0.047 0.000 2.316 15 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.203 15 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.203 15 G C 0.279 175.183 174.900 0.005 0.000 0.999 15 G CA -0.026 45.069 45.100 -0.008 0.000 0.649 15 G HN 0.761 nan 8.290 nan 0.000 0.489 16 S N 0.526 116.226 115.700 -0.001 0.000 2.558 16 S HA 0.318 4.788 4.470 -0.000 0.000 0.288 16 S C 0.849 175.458 174.600 0.015 0.000 1.318 16 S CA 1.021 59.224 58.200 0.006 0.000 1.056 16 S CB 0.937 64.138 63.200 0.002 0.000 0.853 16 S HN 1.458 nan 8.310 nan 0.000 0.505 17 N N 0.885 119.595 118.700 0.015 0.000 2.727 17 N HA -0.174 4.566 4.740 -0.000 0.000 0.249 17 N C -1.140 174.385 175.510 0.026 0.000 1.048 17 N CA 1.017 54.078 53.050 0.019 0.000 0.714 17 N CB -1.192 37.305 38.487 0.017 0.000 0.959 17 N HN 0.834 nan 8.380 nan 0.000 0.544 18 T N 0.506 115.078 114.554 0.029 0.000 2.893 18 T HA 0.273 4.623 4.350 -0.000 0.000 0.293 18 T C -0.318 174.406 174.700 0.040 0.000 1.027 18 T CA -0.357 61.767 62.100 0.040 0.000 0.988 18 T CB 1.877 70.775 68.868 0.049 0.000 1.043 18 T HN 0.015 nan 8.240 nan 0.000 0.461 19 T N 2.680 117.260 114.554 0.044 0.000 2.749 19 T HA 0.417 4.767 4.350 -0.000 0.000 0.295 19 T C 0.179 174.914 174.700 0.058 0.000 0.936 19 T CA -0.396 61.729 62.100 0.041 0.000 1.060 19 T CB 0.403 69.291 68.868 0.033 0.000 0.904 19 T HN 0.333 nan 8.240 nan 0.000 0.500 20 V N 5.595 125.543 119.914 0.056 0.000 2.407 20 V HA 0.343 4.463 4.120 -0.000 0.000 0.278 20 V C 0.227 176.361 176.094 0.066 0.000 1.037 20 V CA -0.789 61.556 62.300 0.074 0.000 0.900 20 V CB 1.111 32.970 31.823 0.061 0.000 0.983 20 V HN 0.626 nan 8.190 nan 0.000 0.459 21 K N 3.861 124.329 120.400 0.113 0.000 2.240 21 K HA 0.520 4.840 4.320 -0.000 0.000 0.271 21 K C 0.125 176.770 176.600 0.075 0.000 1.018 21 K CA -0.238 56.108 56.287 0.099 0.000 0.874 21 K CB 1.747 34.320 32.500 0.121 0.000 1.098 21 K HN 0.918 nan 8.250 nan 0.000 0.458 22 T N -1.202 113.273 114.554 -0.132 0.000 2.942 22 T HA 0.875 5.225 4.350 -0.000 0.000 0.289 22 T C 0.246 174.459 174.700 -0.812 0.000 1.044 22 T CA -0.981 60.813 62.100 -0.509 0.000 1.023 22 T CB 2.252 70.863 68.868 -0.428 0.000 1.123 22 T HN 0.498 nan 8.240 nan 0.000 0.512 23 G N -0.225 107.643 108.800 -1.553 0.000 2.673 23 G HA2 0.531 4.490 3.960 -0.000 0.000 0.292 23 G HA3 0.531 4.490 3.960 -0.000 0.000 0.292 23 G C -2.288 172.113 174.900 -0.831 0.000 1.450 23 G CA -0.752 43.586 45.100 -1.271 0.000 0.837 23 G HN 0.876 nan 8.290 nan 0.000 0.505 24 D N -0.676 119.584 120.400 -0.233 0.000 2.646 24 D HA 0.670 5.310 4.640 -0.000 0.000 0.245 24 D C -1.077 175.275 176.300 0.087 0.000 1.099 24 D CA -0.383 53.616 54.000 -0.002 0.000 0.849 24 D CB 1.876 42.726 40.800 0.083 0.000 1.448 24 D HN 0.186 nan 8.370 nan 0.000 0.489 25 L N 3.814 125.104 121.223 0.112 0.000 2.446 25 L HA 0.477 4.817 4.340 -0.000 0.000 0.268 25 L C -1.168 175.757 176.870 0.092 0.000 0.975 25 L CA -0.864 54.059 54.840 0.139 0.000 0.848 25 L CB 1.704 43.896 42.059 0.221 0.000 1.225 25 L HN 0.301 nan 8.230 nan 0.000 0.410 26 V N 2.483 122.437 119.914 0.067 0.000 2.513 26 V HA 0.783 4.903 4.120 -0.000 0.000 0.299 26 V C -0.104 176.005 176.094 0.024 0.000 1.035 26 V CA -0.360 61.945 62.300 0.009 0.000 0.889 26 V CB 2.168 34.017 31.823 0.043 0.000 0.988 26 V HN 0.782 nan 8.190 nan 0.000 0.440 27 T N 4.118 118.655 114.554 -0.028 0.000 2.991 27 T HA 0.404 4.754 4.350 -0.000 0.000 0.303 27 T C -1.501 173.216 174.700 0.027 0.000 1.015 27 T CA -0.367 61.733 62.100 0.000 0.000 1.007 27 T CB 1.083 69.921 68.868 -0.051 0.000 1.034 27 T HN 0.558 nan 8.240 nan 0.000 0.446 28 Y N 3.137 123.439 120.300 0.004 0.000 2.334 28 Y HA 0.432 4.982 4.550 -0.000 0.000 0.336 28 Y C -0.333 175.577 175.900 0.016 0.000 0.960 28 Y CA -0.844 57.282 58.100 0.043 0.000 1.164 28 Y CB 0.817 39.336 38.460 0.099 0.000 1.155 28 Y HN 0.485 nan 8.280 nan 0.000 0.478 29 D N 6.152 126.158 120.400 -0.657 0.000 2.411 29 D HA 0.128 4.768 4.640 -0.000 0.000 0.225 29 D C 0.400 176.263 176.300 -0.729 0.000 1.156 29 D CA 0.021 53.734 54.000 -0.478 0.000 0.874 29 D CB 1.034 41.664 40.800 -0.284 0.000 1.034 29 D HN 0.737 nan 8.370 nan 0.000 0.502 30 K N 2.551 122.696 120.400 -0.425 0.000 2.002 30 K HA -0.184 4.136 4.320 -0.000 0.000 0.209 30 K C 1.623 178.174 176.600 -0.081 0.000 1.048 30 K CA 1.001 57.211 56.287 -0.128 0.000 0.930 30 K CB 0.166 32.737 32.500 0.119 0.000 0.714 30 K HN 0.443 nan 8.250 nan 0.000 0.438 31 E N 0.897 121.052 120.200 -0.074 0.000 2.118 31 E HA -0.154 4.196 4.350 -0.000 0.000 0.195 31 E C 1.257 177.825 176.600 -0.053 0.000 0.992 31 E CA 0.995 57.369 56.400 -0.045 0.000 0.804 31 E CB 0.167 29.845 29.700 -0.037 0.000 0.741 31 E HN 0.248 nan 8.360 nan 0.000 0.458 32 N N -0.465 118.185 118.700 -0.085 0.000 2.280 32 N HA 0.041 4.781 4.740 -0.000 0.000 0.192 32 N C 0.204 175.692 175.510 -0.037 0.000 1.109 32 N CA 0.812 53.832 53.050 -0.050 0.000 0.855 32 N CB 1.129 39.597 38.487 -0.032 0.000 0.974 32 N HN 0.220 nan 8.380 nan 0.000 0.482 33 G N 1.773 110.524 108.800 -0.082 0.000 2.371 33 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.299 33 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.299 33 G C -0.212 174.710 174.900 0.037 0.000 1.014 33 G CA 0.271 45.377 45.100 0.010 0.000 1.097 33 G HN 0.247 nan 8.290 nan 0.000 0.512 34 M N 0.549 120.060 119.600 -0.147 0.000 2.204 34 M HA 0.263 4.743 4.480 -0.000 0.000 0.293 34 M C -0.185 176.120 176.300 0.007 0.000 0.994 34 M CA -0.681 54.627 55.300 0.012 0.000 0.925 34 M CB 2.131 34.755 32.600 0.041 0.000 1.577 34 M HN 0.375 nan 8.290 nan 0.000 0.439 35 H N 4.718 123.879 119.070 0.151 0.000 2.705 35 H HA 0.356 4.911 4.556 -0.000 0.000 0.291 35 H C -1.206 174.141 175.328 0.030 0.000 1.085 35 H CA -0.162 56.010 56.048 0.207 0.000 1.357 35 H CB 0.771 30.657 29.762 0.208 0.000 1.419 35 H HN 0.626 nan 8.280 nan 0.000 0.462 36 K N 4.969 125.146 120.400 -0.372 0.000 2.274 36 K HA 0.282 4.602 4.320 -0.000 0.000 0.262 36 K C -0.412 175.939 176.600 -0.415 0.000 0.961 36 K CA -0.974 54.987 56.287 -0.543 0.000 0.833 36 K CB 2.082 34.096 32.500 -0.810 0.000 1.102 36 K HN 0.368 nan 8.250 nan 0.000 0.436 37 K N 3.006 123.250 120.400 -0.260 0.000 2.443 37 K HA 0.356 4.676 4.320 -0.000 0.000 0.252 37 K C -1.585 175.009 176.600 -0.010 0.000 0.933 37 K CA -0.674 55.530 56.287 -0.137 0.000 0.792 37 K CB 2.040 34.449 32.500 -0.150 0.000 1.185 37 K HN 0.397 nan 8.250 nan 0.000 0.425 38 V N 5.187 125.104 119.914 0.006 0.000 2.495 38 V HA 0.480 4.600 4.120 -0.000 0.000 0.298 38 V C -0.838 175.309 176.094 0.088 0.000 1.031 38 V CA -0.898 61.398 62.300 -0.006 0.000 0.871 38 V CB 1.325 33.000 31.823 -0.248 0.000 0.988 38 V HN 0.679 nan 8.190 nan 0.000 0.432 39 F N 7.624 127.547 119.950 -0.044 0.000 2.427 39 F HA 0.729 5.255 4.527 -0.000 0.000 0.348 39 F C -0.555 175.219 175.800 -0.043 0.000 1.125 39 F CA -0.806 57.147 58.000 -0.078 0.000 0.989 39 F CB 0.911 39.856 39.000 -0.091 0.000 1.165 39 F HN 0.587 nan 8.300 nan 0.000 0.442 40 Y N 1.861 121.781 120.300 -0.633 0.000 2.602 40 Y HA 0.872 5.421 4.550 -0.000 0.000 0.330 40 Y C -1.127 174.396 175.900 -0.629 0.000 1.114 40 Y CA -1.631 56.155 58.100 -0.523 0.000 1.182 40 Y CB 1.649 39.845 38.460 -0.440 0.000 1.305 40 Y HN 0.404 nan 8.280 nan 0.000 0.502 41 S N 1.280 116.850 115.700 -0.216 0.000 2.652 41 S HA 0.395 4.865 4.470 -0.000 0.000 0.273 41 S C -1.695 172.847 174.600 -0.095 0.000 1.172 41 S CA -0.673 57.434 58.200 -0.155 0.000 1.009 41 S CB 0.172 63.307 63.200 -0.108 0.000 1.094 41 S HN 0.528 nan 8.310 nan 0.000 0.471 42 F N 2.699 122.695 119.950 0.077 0.000 2.411 42 F HA 0.550 5.077 4.527 -0.000 0.000 0.350 42 F C 0.377 176.235 175.800 0.096 0.000 1.114 42 F CA -0.511 57.546 58.000 0.095 0.000 1.135 42 F CB 0.698 39.745 39.000 0.077 0.000 1.120 42 F HN 0.383 nan 8.300 nan 0.000 0.495 43 I N 3.290 124.026 120.570 0.277 0.000 2.466 43 I HA 0.161 4.331 4.170 -0.000 0.000 0.279 43 I C -0.845 175.405 176.117 0.221 0.000 1.033 43 I CA -0.443 60.973 61.300 0.193 0.000 1.123 43 I CB 1.365 39.434 38.000 0.115 0.000 1.237 43 I HN 0.407 nan 8.210 nan 0.000 0.460 44 D N 5.565 126.086 120.400 0.201 0.000 2.622 44 D HA 0.060 4.700 4.640 -0.000 0.000 0.262 44 D C -0.328 176.050 176.300 0.130 0.000 1.189 44 D CA -0.289 53.821 54.000 0.183 0.000 0.985 44 D CB 0.371 41.275 40.800 0.175 0.000 0.994 44 D HN 0.312 nan 8.370 nan 0.000 0.513 45 D N 2.003 122.480 120.400 0.129 0.000 2.338 45 D HA 0.003 4.643 4.640 -0.000 0.000 0.255 45 D C 1.010 177.379 176.300 0.115 0.000 1.237 45 D CA -0.208 53.852 54.000 0.101 0.000 0.883 45 D CB 0.983 41.826 40.800 0.073 0.000 1.087 45 D HN 0.013 nan 8.370 nan 0.000 0.485 46 K N 2.943 123.392 120.400 0.081 0.000 2.360 46 K HA -0.070 4.250 4.320 -0.000 0.000 0.201 46 K C 0.686 177.327 176.600 0.067 0.000 1.046 46 K CA 0.456 56.783 56.287 0.067 0.000 0.945 46 K CB 0.008 32.536 32.500 0.047 0.000 0.750 46 K HN 0.440 nan 8.250 nan 0.000 0.464 47 N N 0.557 119.306 118.700 0.081 0.000 2.322 47 N HA -0.060 4.680 4.740 -0.000 0.000 0.194 47 N C -0.327 175.264 175.510 0.136 0.000 1.126 47 N CA 0.205 53.302 53.050 0.079 0.000 0.845 47 N CB 0.043 38.566 38.487 0.060 0.000 0.976 47 N HN 0.219 nan 8.380 nan 0.000 0.475 48 H N 0.858 119.936 119.070 0.014 0.000 2.469 48 H HA 0.221 4.777 4.556 -0.000 0.000 0.342 48 H C 1.123 176.453 175.328 0.004 0.000 1.115 48 H CA -0.844 55.210 56.048 0.011 0.000 1.204 48 H CB 0.862 30.635 29.762 0.019 0.000 1.492 48 H HN -0.018 nan 8.280 nan 0.000 0.499 49 N N 3.284 121.784 118.700 -0.332 0.000 2.609 49 N HA -0.075 4.665 4.740 -0.000 0.000 0.190 49 N C -0.558 174.810 175.510 -0.237 0.000 1.157 49 N CA 0.706 53.612 53.050 -0.240 0.000 0.918 49 N CB 0.257 38.612 38.487 -0.219 0.000 0.978 49 N HN 0.465 nan 8.380 nan 0.000 0.448 50 K N -0.465 119.761 120.400 -0.291 0.000 2.536 50 K HA 0.334 4.654 4.320 -0.000 0.000 0.269 50 K C -0.875 175.736 176.600 0.019 0.000 0.965 50 K CA -0.787 55.412 56.287 -0.146 0.000 0.860 50 K CB 2.260 34.651 32.500 -0.181 0.000 1.423 50 K HN -0.120 nan 8.250 nan 0.000 0.438 51 K N 1.457 121.847 120.400 -0.017 0.000 2.185 51 K HA 0.386 4.706 4.320 -0.000 0.000 0.271 51 K C -0.473 176.230 176.600 0.172 0.000 1.013 51 K CA -0.269 56.088 56.287 0.117 0.000 0.943 51 K CB 0.600 33.172 32.500 0.120 0.000 0.998 51 K HN 0.287 nan 8.250 nan 0.000 0.468 52 L N 2.967 124.385 121.223 0.325 0.000 2.354 52 L HA 0.533 4.873 4.340 -0.000 0.000 0.269 52 L C -1.228 175.863 176.870 0.369 0.000 1.005 52 L CA -1.293 53.733 54.840 0.311 0.000 0.819 52 L CB 1.677 43.852 42.059 0.194 0.000 1.311 52 L HN 0.436 nan 8.230 nan 0.000 0.423 53 L N 3.016 124.396 121.223 0.260 0.000 2.441 53 L HA 0.524 4.863 4.340 -0.000 0.000 0.270 53 L C -1.177 175.664 176.870 -0.049 0.000 0.973 53 L CA -0.259 54.523 54.840 -0.097 0.000 0.842 53 L CB 1.902 43.750 42.059 -0.351 0.000 1.239 53 L HN 0.206 nan 8.230 nan 0.000 0.406 54 V N 6.639 126.505 119.914 -0.079 0.000 2.370 54 V HA 0.466 4.586 4.120 -0.000 0.000 0.279 54 V C 0.182 176.265 176.094 -0.019 0.000 1.029 54 V CA -0.268 62.035 62.300 0.005 0.000 0.870 54 V CB 1.336 33.184 31.823 0.042 0.000 0.984 54 V HN 0.599 nan 8.190 nan 0.000 0.451 55 I N 5.977 126.566 120.570 0.032 0.000 2.355 55 I HA 0.485 4.655 4.170 -0.000 0.000 0.288 55 I C 0.214 176.393 176.117 0.104 0.000 0.999 55 I CA -0.448 60.868 61.300 0.028 0.000 1.163 55 I CB 1.190 39.193 38.000 0.005 0.000 1.316 55 I HN 0.455 nan 8.210 nan 0.000 0.454 56 R N 4.243 124.815 120.500 0.121 0.000 2.265 56 R HA 0.356 4.696 4.340 -0.000 0.000 0.328 56 R C -0.431 175.921 176.300 0.087 0.000 0.969 56 R CA -0.554 55.619 56.100 0.122 0.000 0.832 56 R CB 1.609 32.011 30.300 0.169 0.000 1.139 56 R HN 0.583 nan 8.270 nan 0.000 0.457 57 T N 0.796 115.388 114.554 0.064 0.000 2.733 57 T HA 0.389 4.739 4.350 -0.000 0.000 0.294 57 T C 0.172 174.851 174.700 -0.034 0.000 0.956 57 T CA -0.711 61.452 62.100 0.105 0.000 0.987 57 T CB 1.445 70.444 68.868 0.218 0.000 0.920 57 T HN 0.410 nan 8.240 nan 0.000 0.470 58 K N 1.966 122.371 120.400 0.008 0.000 2.041 58 K HA 0.845 5.165 4.320 -0.000 0.000 0.277 58 K C 0.796 177.391 176.600 -0.009 0.000 0.965 58 K CA -0.776 55.442 56.287 -0.115 0.000 1.138 58 K CB 0.233 32.659 32.500 -0.124 0.000 3.194 58 K HN 0.881 nan 8.250 nan 0.000 1.085 59 G N 0.058 108.830 108.800 -0.046 0.000 2.568 59 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.222 59 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.222 59 G C -1.013 173.913 174.900 0.042 0.000 1.321 59 G CA -0.389 44.734 45.100 0.038 0.000 0.893 59 G HN 0.476 nan 8.290 nan 0.000 0.569 60 T N 0.190 114.836 114.554 0.153 0.000 3.172 60 T HA 0.541 4.891 4.350 -0.000 0.000 0.320 60 T C -0.167 174.630 174.700 0.162 0.000 1.085 60 T CA -0.396 61.736 62.100 0.054 0.000 1.052 60 T CB 1.329 70.216 68.868 0.032 0.000 1.107 60 T HN 0.712 nan 8.240 nan 0.000 0.458 61 I N 2.866 123.519 120.570 0.138 0.000 2.304 61 I HA 0.504 4.674 4.170 -0.000 0.000 0.291 61 I C 1.028 177.292 176.117 0.246 0.000 1.018 61 I CA -0.772 60.691 61.300 0.272 0.000 1.260 61 I CB 1.030 39.290 38.000 0.433 0.000 1.390 61 I HN 0.755 nan 8.210 nan 0.000 0.475 62 A N 4.788 127.755 122.820 0.244 0.000 2.520 62 A HA 0.315 4.635 4.320 -0.000 0.000 0.235 62 A C 1.403 179.186 177.584 0.333 0.000 1.065 62 A CA 0.485 52.656 52.037 0.223 0.000 0.764 62 A CB 0.202 19.313 19.000 0.185 0.000 1.002 62 A HN 0.952 nan 8.150 nan 0.000 0.502 63 G N -0.803 108.183 108.800 0.309 0.000 2.404 63 G HA2 0.113 4.073 3.960 -0.000 0.000 0.213 63 G HA3 0.113 4.073 3.960 -0.000 0.000 0.213 63 G C 0.543 175.606 174.900 0.271 0.000 1.189 63 G CA 0.739 46.083 45.100 0.406 0.000 0.796 63 G HN 0.990 nan 8.290 nan 0.000 0.532 64 Q N -1.757 118.163 119.800 0.201 0.000 2.493 64 Q HA -0.232 4.108 4.340 -0.000 0.000 0.278 64 Q C -0.558 175.517 176.000 0.126 0.000 1.216 64 Q CA 0.164 56.043 55.803 0.126 0.000 0.875 64 Q CB -2.143 26.632 28.738 0.063 0.000 1.262 64 Q HN 0.656 nan 8.270 nan 0.000 0.468 65 Y N 1.102 121.424 120.300 0.037 0.000 2.730 65 Y HA 0.278 4.828 4.550 -0.000 0.000 0.354 65 Y C 0.115 175.984 175.900 -0.051 0.000 1.139 65 Y CA 0.248 58.342 58.100 -0.010 0.000 1.516 65 Y CB 0.161 38.597 38.460 -0.039 0.000 1.204 65 Y HN 0.124 nan 8.280 nan 0.000 0.520 66 R N 3.137 123.518 120.500 -0.198 0.000 2.771 66 R HA 0.592 4.932 4.340 -0.000 0.000 0.274 66 R C -1.845 174.319 176.300 -0.225 0.000 0.987 66 R CA -0.849 55.152 56.100 -0.164 0.000 0.908 66 R CB 1.647 31.905 30.300 -0.069 0.000 1.213 66 R HN 0.419 nan 8.270 nan 0.000 0.468 67 V N 5.947 125.755 119.914 -0.177 0.000 2.408 67 V HA 0.131 4.251 4.120 -0.000 0.000 0.267 67 V C 0.138 176.221 176.094 -0.019 0.000 1.047 67 V CA 0.033 62.236 62.300 -0.161 0.000 0.937 67 V CB 0.580 32.350 31.823 -0.089 0.000 0.999 67 V HN 0.898 nan 8.190 nan 0.000 0.472 68 Y N 2.958 123.183 120.300 -0.125 0.000 2.522 68 Y HA 0.389 4.939 4.550 -0.000 0.000 0.277 68 Y C 0.972 176.866 175.900 -0.011 0.000 1.104 68 Y CA -0.150 57.897 58.100 -0.088 0.000 1.260 68 Y CB -0.065 38.302 38.460 -0.156 0.000 1.151 68 Y HN 0.531 nan 8.280 nan 0.000 0.539 69 S N 0.424 115.620 115.700 -0.840 0.000 2.542 69 S HA 0.570 5.040 4.470 -0.000 0.000 0.293 69 S C -0.760 173.700 174.600 -0.233 0.000 1.089 69 S CA -0.647 57.239 58.200 -0.523 0.000 0.961 69 S CB 2.461 65.246 63.200 -0.692 0.000 1.062 69 S HN 0.411 nan 8.310 nan 0.000 0.483 70 E N 1.677 121.817 120.200 -0.099 0.000 2.874 70 E HA 0.111 4.461 4.350 -0.000 0.000 0.320 70 E C -1.182 175.423 176.600 0.008 0.000 1.141 70 E CA -0.243 56.148 56.400 -0.015 0.000 0.774 70 E CB 0.468 30.172 29.700 0.007 0.000 1.542 70 E HN 0.795 nan 8.360 nan 0.000 0.380 71 E N 2.888 123.100 120.200 0.021 0.000 2.063 71 E HA 0.527 4.877 4.350 -0.000 0.000 0.265 71 E C 0.297 176.927 176.600 0.051 0.000 0.919 71 E CA -0.434 55.985 56.400 0.031 0.000 0.756 71 E CB 1.188 30.905 29.700 0.028 0.000 1.120 71 E HN 0.609 nan 8.360 nan 0.000 0.414 72 G N 1.858 110.686 108.800 0.046 0.000 2.690 72 G HA2 -0.068 3.892 3.960 -0.000 0.000 0.686 72 G HA3 -0.068 3.892 3.960 -0.000 0.000 0.686 72 G C 0.395 175.337 174.900 0.071 0.000 1.277 72 G CA -0.345 44.787 45.100 0.052 0.000 0.799 72 G HN 0.742 nan 8.290 nan 0.000 0.613 73 A N -0.047 122.808 122.820 0.059 0.000 2.235 73 A HA 0.225 4.544 4.320 -0.000 0.000 0.208 73 A C 1.590 179.268 177.584 0.155 0.000 1.172 73 A CA 1.445 53.527 52.037 0.076 0.000 0.786 73 A CB -0.303 18.708 19.000 0.018 0.000 0.804 73 A HN 0.709 nan 8.150 nan 0.000 0.479 74 N N -1.036 117.760 118.700 0.160 0.000 2.203 74 N HA 0.130 4.870 4.740 -0.000 0.000 0.207 74 N C -0.133 175.595 175.510 0.364 0.000 1.130 74 N CA 0.021 53.218 53.050 0.245 0.000 0.861 74 N CB 0.471 39.056 38.487 0.164 0.000 1.005 74 N HN 0.296 nan 8.380 nan 0.000 0.507 75 K N 0.648 121.214 120.400 0.278 0.000 2.542 75 K HA 0.424 4.744 4.320 -0.000 0.000 0.259 75 K C -1.815 174.887 176.600 0.171 0.000 0.932 75 K CA -0.429 56.007 56.287 0.248 0.000 0.820 75 K CB 2.245 34.854 32.500 0.183 0.000 1.345 75 K HN -0.110 nan 8.250 nan 0.000 0.432 76 S N 0.866 116.675 115.700 0.182 0.000 2.611 76 S HA 0.781 5.251 4.470 -0.000 0.000 0.268 76 S C -1.601 173.155 174.600 0.260 0.000 1.156 76 S CA -0.380 57.930 58.200 0.183 0.000 0.817 76 S CB 1.616 64.982 63.200 0.277 0.000 1.122 76 S HN 0.792 nan 8.310 nan 0.000 0.466 77 G N 0.784 109.627 108.800 0.071 0.000 2.571 77 G HA2 0.674 4.634 3.960 -0.000 0.000 0.304 77 G HA3 0.674 4.634 3.960 -0.000 0.000 0.304 77 G C -2.048 172.875 174.900 0.039 0.000 1.314 77 G CA -0.527 44.630 45.100 0.095 0.000 0.975 77 G HN 0.779 nan 8.290 nan 0.000 0.485 78 L N 1.840 123.164 121.223 0.167 0.000 2.376 78 L HA 0.824 5.164 4.340 -0.000 0.000 0.275 78 L C 0.188 177.179 176.870 0.202 0.000 0.987 78 L CA -0.685 54.043 54.840 -0.186 0.000 0.828 78 L CB 1.560 43.105 42.059 -0.857 0.000 1.249 78 L HN 0.750 nan 8.230 nan 0.000 0.409 79 A N 6.146 129.001 122.820 0.058 0.000 2.289 79 A HA 0.743 5.063 4.320 -0.000 0.000 0.298 79 A C -1.128 176.485 177.584 0.049 0.000 1.208 79 A CA -0.458 51.594 52.037 0.025 0.000 0.845 79 A CB 0.257 18.974 19.000 -0.470 0.000 1.125 79 A HN 0.799 nan 8.150 nan 0.000 0.517 80 W N 2.488 123.770 121.300 -0.030 0.000 3.127 80 W HA 0.553 5.213 4.660 -0.000 0.000 0.330 80 W C -3.344 173.212 176.519 0.061 0.000 1.187 80 W CA -2.957 54.377 57.345 -0.017 0.000 1.198 80 W CB 1.112 30.518 29.460 -0.091 0.000 1.408 80 W HN 0.427 nan 8.180 nan 0.000 0.529 81 P HA 0.019 nan 4.420 nan 0.000 0.275 81 P C 0.780 178.019 177.300 -0.101 0.000 1.276 81 P CA 0.332 63.356 63.100 -0.127 0.000 0.782 81 P CB 1.094 32.703 31.700 -0.153 0.000 0.851 82 S N 2.727 118.149 115.700 -0.464 0.000 2.535 82 S HA 0.472 4.942 4.470 -0.000 0.000 0.214 82 S C 0.592 175.183 174.600 -0.015 0.000 0.980 82 S CA -0.074 57.914 58.200 -0.354 0.000 0.907 82 S CB 0.060 62.853 63.200 -0.679 0.000 0.790 82 S HN 0.639 nan 8.310 nan 0.000 0.510 83 A N 0.333 123.063 122.820 -0.150 0.000 2.565 83 A HA 0.660 4.980 4.320 -0.000 0.000 0.298 83 A C -1.620 175.799 177.584 -0.275 0.000 1.062 83 A CA -0.756 51.245 52.037 -0.060 0.000 0.723 83 A CB 0.481 19.473 19.000 -0.014 0.000 1.282 83 A HN 0.276 nan 8.150 nan 0.000 0.400 84 F N 1.234 121.239 119.950 0.091 0.000 2.532 84 F HA 0.721 5.247 4.527 -0.000 0.000 0.321 84 F C 0.489 176.336 175.800 0.077 0.000 1.089 84 F CA -0.294 57.750 58.000 0.073 0.000 0.926 84 F CB 2.601 41.608 39.000 0.011 0.000 1.168 84 F HN 0.489 nan 8.300 nan 0.000 0.459 85 K N 1.716 122.290 120.400 0.289 0.000 2.502 85 K HA 0.782 5.102 4.320 -0.000 0.000 0.257 85 K C -1.814 174.891 176.600 0.177 0.000 0.938 85 K CA -1.010 55.404 56.287 0.213 0.000 0.819 85 K CB 3.257 35.835 32.500 0.131 0.000 1.333 85 K HN 0.332 nan 8.250 nan 0.000 0.434 86 V N 2.689 122.727 119.914 0.206 0.000 2.577 86 V HA 0.329 4.449 4.120 -0.000 0.000 0.303 86 V C -1.120 175.124 176.094 0.250 0.000 1.042 86 V CA -0.745 61.641 62.300 0.144 0.000 0.872 86 V CB 1.816 33.788 31.823 0.248 0.000 0.998 86 V HN 0.724 nan 8.190 nan 0.000 0.423 87 Q N 4.675 124.606 119.800 0.217 0.000 2.359 87 Q HA 0.784 5.124 4.340 -0.000 0.000 0.274 87 Q C -1.853 174.269 176.000 0.203 0.000 1.074 87 Q CA -0.889 55.016 55.803 0.171 0.000 0.810 87 Q CB 3.188 31.985 28.738 0.097 0.000 1.342 87 Q HN 0.514 nan 8.270 nan 0.000 0.427 88 L N 1.574 122.895 121.223 0.163 0.000 2.386 88 L HA 0.542 4.882 4.340 -0.000 0.000 0.271 88 L C -0.779 176.156 176.870 0.108 0.000 0.993 88 L CA -0.318 54.625 54.840 0.172 0.000 0.819 88 L CB 2.161 44.345 42.059 0.208 0.000 1.294 88 L HN 0.573 nan 8.230 nan 0.000 0.414 89 Q N 2.498 122.365 119.800 0.112 0.000 2.289 89 Q HA 0.643 4.983 4.340 -0.000 0.000 0.270 89 Q C -1.899 174.154 176.000 0.090 0.000 1.038 89 Q CA -0.543 55.308 55.803 0.081 0.000 0.812 89 Q CB 2.054 30.829 28.738 0.061 0.000 1.300 89 Q HN 0.596 nan 8.270 nan 0.000 0.427 90 L N 5.187 126.459 121.223 0.082 0.000 2.289 90 L HA 0.549 4.889 4.340 -0.000 0.000 0.285 90 L C -2.132 174.778 176.870 0.067 0.000 1.049 90 L CA -2.066 52.827 54.840 0.087 0.000 0.804 90 L CB 1.261 43.378 42.059 0.096 0.000 1.195 90 L HN 0.526 nan 8.230 nan 0.000 0.428 91 P HA -0.019 nan 4.420 nan 0.000 0.267 91 P C 0.082 177.408 177.300 0.043 0.000 1.200 91 P CA -0.156 62.973 63.100 0.049 0.000 0.772 91 P CB 0.571 32.300 31.700 0.048 0.000 0.855 92 D N 1.657 122.076 120.400 0.032 0.000 2.170 92 D HA -0.214 4.426 4.640 -0.000 0.000 0.193 92 D C 1.337 177.652 176.300 0.026 0.000 1.004 92 D CA 1.531 55.546 54.000 0.026 0.000 0.860 92 D CB -0.432 40.380 40.800 0.019 0.000 0.931 92 D HN 0.542 nan 8.370 nan 0.000 0.448 93 N N 1.072 119.789 118.700 0.029 0.000 2.494 93 N HA -0.109 4.631 4.740 -0.000 0.000 0.182 93 N C 0.344 175.875 175.510 0.034 0.000 1.076 93 N CA 0.367 53.433 53.050 0.028 0.000 0.908 93 N CB -0.110 38.393 38.487 0.027 0.000 0.967 93 N HN 0.092 nan 8.380 nan 0.000 0.449 94 E N 1.048 121.276 120.200 0.047 0.000 2.452 94 E HA -0.039 4.311 4.350 -0.000 0.000 0.261 94 E C 0.755 177.381 176.600 0.042 0.000 0.987 94 E CA -0.026 56.411 56.400 0.061 0.000 0.926 94 E CB 2.101 31.853 29.700 0.086 0.000 0.934 94 E HN -0.039 nan 8.360 nan 0.000 0.452 95 V N 2.134 122.067 119.914 0.032 0.000 3.354 95 V HA 0.116 4.236 4.120 -0.000 0.000 0.258 95 V C 0.609 176.690 176.094 -0.023 0.000 1.159 95 V CA 0.954 63.253 62.300 -0.002 0.000 1.125 95 V CB 0.044 31.854 31.823 -0.021 0.000 0.774 95 V HN 0.661 nan 8.190 nan 0.000 0.464 96 A N 0.486 123.309 122.820 0.004 0.000 2.386 96 A HA 0.576 4.896 4.320 -0.000 0.000 0.248 96 A C -0.122 177.486 177.584 0.039 0.000 1.082 96 A CA -0.036 51.995 52.037 -0.010 0.000 0.789 96 A CB 0.273 19.356 19.000 0.139 0.000 1.025 96 A HN 0.668 nan 8.150 nan 0.000 0.490 97 Q N 0.620 120.439 119.800 0.031 0.000 2.423 97 Q HA 0.455 4.795 4.340 -0.000 0.000 0.278 97 Q C -1.019 175.036 176.000 0.090 0.000 1.097 97 Q CA -0.987 54.848 55.803 0.055 0.000 0.809 97 Q CB 2.074 30.827 28.738 0.025 0.000 1.391 97 Q HN 0.615 nan 8.270 nan 0.000 0.428 98 I N 1.810 122.443 120.570 0.105 0.000 2.505 98 I HA -0.028 4.142 4.170 -0.000 0.000 0.287 98 I C 0.935 177.128 176.117 0.126 0.000 1.104 98 I CA 0.818 62.204 61.300 0.144 0.000 1.387 98 I CB 0.930 39.027 38.000 0.162 0.000 1.404 98 I HN 0.767 nan 8.210 nan 0.000 0.528 99 S N 4.197 119.955 115.700 0.097 0.000 2.506 99 S HA 0.088 4.558 4.470 -0.000 0.000 0.230 99 S C 0.482 175.021 174.600 -0.101 0.000 1.066 99 S CA 0.357 58.574 58.200 0.029 0.000 0.940 99 S CB 0.418 63.640 63.200 0.038 0.000 0.818 99 S HN 0.772 nan 8.310 nan 0.000 0.518 100 D N -1.422 118.881 120.400 -0.161 0.000 2.664 100 D HA 0.530 5.170 4.640 -0.000 0.000 0.292 100 D C -1.816 174.248 176.300 -0.393 0.000 1.214 100 D CA -0.390 53.294 54.000 -0.525 0.000 0.932 100 D CB 1.904 42.559 40.800 -0.242 0.000 1.420 100 D HN 0.334 nan 8.370 nan 0.000 0.471 101 Y N -1.503 118.927 120.300 0.217 0.000 2.662 101 Y HA 0.616 5.166 4.550 -0.000 0.000 0.334 101 Y C -1.751 174.419 175.900 0.451 0.000 1.185 101 Y CA -1.256 57.052 58.100 0.346 0.000 1.074 101 Y CB 1.202 39.794 38.460 0.221 0.000 1.330 101 Y HN 0.346 nan 8.280 nan 0.000 0.458 102 Y N 2.302 122.979 120.300 0.628 0.000 2.474 102 Y HA 0.539 5.089 4.550 -0.000 0.000 0.326 102 Y C -3.050 173.089 175.900 0.399 0.000 1.160 102 Y CA -2.032 56.335 58.100 0.445 0.000 1.056 102 Y CB 2.683 41.282 38.460 0.232 0.000 1.330 102 Y HN 0.517 nan 8.280 nan 0.000 0.447 103 P HA 0.362 nan 4.420 nan 0.000 0.275 103 P C -1.027 176.229 177.300 -0.073 0.000 1.266 103 P CA -0.058 62.580 63.100 -0.771 0.000 0.793 103 P CB 1.559 33.019 31.700 -0.400 0.000 1.074 104 R N -0.349 120.046 120.500 -0.174 0.000 3.084 104 R HA 0.436 4.776 4.340 -0.000 0.000 0.234 104 R C -0.105 176.197 176.300 0.003 0.000 1.433 104 R CA -1.013 55.100 56.100 0.022 0.000 1.053 104 R CB 0.405 30.771 30.300 0.110 0.000 1.449 104 R HN 0.397 nan 8.270 nan 0.000 0.505 105 N N 1.469 120.173 118.700 0.007 0.000 2.408 105 N HA 0.086 4.825 4.740 -0.000 0.000 0.257 105 N C -0.545 174.981 175.510 0.027 0.000 1.064 105 N CA 0.012 53.067 53.050 0.008 0.000 0.952 105 N CB 1.384 39.864 38.487 -0.012 0.000 1.093 105 N HN 0.499 nan 8.380 nan 0.000 0.490 106 S N 1.634 117.354 115.700 0.033 0.000 2.646 106 S HA 0.487 4.957 4.470 -0.000 0.000 0.276 106 S C 0.475 175.097 174.600 0.035 0.000 1.222 106 S CA -0.878 57.349 58.200 0.044 0.000 1.014 106 S CB 1.021 64.254 63.200 0.056 0.000 0.991 106 S HN 0.380 nan 8.310 nan 0.000 0.533 107 I N 2.558 123.149 120.570 0.036 0.000 2.471 107 I HA 0.130 4.300 4.170 -0.000 0.000 0.286 107 I C 0.144 176.279 176.117 0.030 0.000 1.079 107 I CA -0.245 61.072 61.300 0.028 0.000 1.398 107 I CB 0.259 38.275 38.000 0.028 0.000 1.403 107 I HN 0.618 nan 8.210 nan 0.000 0.530 108 D N 4.634 125.047 120.400 0.022 0.000 2.329 108 D HA 0.355 4.995 4.640 -0.000 0.000 0.246 108 D C 0.323 176.639 176.300 0.027 0.000 1.111 108 D CA 0.119 54.135 54.000 0.026 0.000 0.941 108 D CB 1.651 42.458 40.800 0.012 0.000 1.169 108 D HN 0.611 nan 8.370 nan 0.000 0.441 109 T N -2.737 111.843 114.554 0.044 0.000 2.838 109 T HA 0.719 5.069 4.350 -0.000 0.000 0.292 109 T C -0.926 173.825 174.700 0.086 0.000 1.113 109 T CA -0.971 61.161 62.100 0.054 0.000 1.008 109 T CB 2.620 71.523 68.868 0.058 0.000 1.259 109 T HN 0.517 nan 8.240 nan 0.000 0.520 110 K N 0.123 120.585 120.400 0.103 0.000 2.551 110 K HA 0.581 4.901 4.320 -0.000 0.000 0.269 110 K C -1.356 175.337 176.600 0.154 0.000 0.949 110 K CA -0.905 55.482 56.287 0.167 0.000 0.849 110 K CB 2.512 35.117 32.500 0.174 0.000 1.411 110 K HN 0.798 nan 8.250 nan 0.000 0.432 111 E N 1.334 121.627 120.200 0.155 0.000 2.204 111 E HA 0.240 4.590 4.350 -0.000 0.000 0.276 111 E C -1.706 174.997 176.600 0.172 0.000 0.974 111 E CA -0.820 55.663 56.400 0.137 0.000 0.815 111 E CB 1.145 30.895 29.700 0.083 0.000 1.119 111 E HN 0.526 nan 8.360 nan 0.000 0.393 112 Y N 3.186 123.528 120.300 0.070 0.000 2.393 112 Y HA 0.384 4.934 4.550 -0.000 0.000 0.341 112 Y C -1.023 174.918 175.900 0.068 0.000 0.988 112 Y CA -0.720 57.431 58.100 0.084 0.000 1.078 112 Y CB 1.423 39.928 38.460 0.074 0.000 1.203 112 Y HN 0.506 nan 8.280 nan 0.000 0.453 113 N N 3.583 122.301 118.700 0.029 0.000 2.448 113 N HA 0.347 5.087 4.740 -0.000 0.000 0.279 113 N C -1.539 174.067 175.510 0.160 0.000 1.025 113 N CA -0.551 52.563 53.050 0.108 0.000 0.898 113 N CB 1.523 40.012 38.487 0.002 0.000 1.303 113 N HN 0.391 nan 8.380 nan 0.000 0.495 114 S N 1.112 116.969 115.700 0.263 0.000 2.437 114 S HA 0.426 4.896 4.470 -0.000 0.000 0.305 114 S C -0.393 174.285 174.600 0.130 0.000 1.109 114 S CA -0.373 57.976 58.200 0.249 0.000 1.099 114 S CB 1.461 64.810 63.200 0.248 0.000 1.004 114 S HN 0.356 nan 8.310 nan 0.000 0.475 115 T N 3.726 118.340 114.554 0.099 0.000 2.840 115 T HA 0.516 4.866 4.350 -0.000 0.000 0.287 115 T C -1.188 173.535 174.700 0.038 0.000 0.991 115 T CA -0.440 61.693 62.100 0.055 0.000 0.964 115 T CB 1.041 69.925 68.868 0.026 0.000 0.954 115 T HN 0.381 nan 8.240 nan 0.000 0.438 116 L N 3.636 124.882 121.223 0.037 0.000 2.362 116 L HA 0.811 5.150 4.340 -0.000 0.000 0.275 116 L C -0.817 176.061 176.870 0.014 0.000 0.998 116 L CA 0.053 54.901 54.840 0.013 0.000 0.820 116 L CB 1.885 43.986 42.059 0.069 0.000 1.270 116 L HN 0.627 nan 8.230 nan 0.000 0.415 117 T N 4.202 118.705 114.554 -0.083 0.000 2.928 117 T HA 0.523 4.873 4.350 -0.000 0.000 0.296 117 T C -1.189 173.393 174.700 -0.196 0.000 1.000 117 T CA -0.238 61.827 62.100 -0.058 0.000 0.989 117 T CB 0.768 69.600 68.868 -0.059 0.000 1.005 117 T HN 0.322 nan 8.240 nan 0.000 0.442 118 Y N 0.849 121.068 120.300 -0.136 0.000 2.420 118 Y HA 0.750 5.300 4.550 0.000 0.000 0.334 118 Y C 0.809 176.488 175.900 -0.368 0.000 1.094 118 Y CA -0.426 57.521 58.100 -0.255 0.000 1.126 118 Y CB 2.273 40.578 38.460 -0.258 0.000 1.217 118 Y HN 0.938 nan 8.280 nan 0.000 0.462 119 G N 1.527 110.069 108.800 -0.430 0.000 2.718 119 G HA2 0.666 4.626 3.960 -0.000 0.000 0.295 119 G HA3 0.666 4.626 3.960 -0.000 0.000 0.295 119 G C -2.220 172.290 174.900 -0.650 0.000 1.421 119 G CA -0.649 44.183 45.100 -0.448 0.000 0.902 119 G HN 0.259 nan 8.290 nan 0.000 0.501 120 F N 0.791 120.773 119.950 0.053 0.000 2.599 120 F HA 0.664 5.191 4.527 -0.000 0.000 0.311 120 F C -0.168 175.648 175.800 0.027 0.000 1.076 120 F CA -1.251 56.773 58.000 0.040 0.000 0.937 120 F CB 2.894 41.917 39.000 0.038 0.000 1.282 120 F HN 0.565 nan 8.300 nan 0.000 0.460 121 N N 0.221 119.050 118.700 0.215 0.000 2.521 121 N HA 0.489 5.229 4.740 -0.000 0.000 0.269 121 N C -1.060 174.502 175.510 0.088 0.000 1.079 121 N CA -0.561 52.560 53.050 0.119 0.000 0.980 121 N CB 1.683 40.215 38.487 0.075 0.000 1.667 121 N HN 0.790 nan 8.380 nan 0.000 0.498 122 G N 0.319 109.158 108.800 0.064 0.000 2.557 122 G HA2 0.564 4.524 3.960 -0.000 0.000 0.302 122 G HA3 0.564 4.524 3.960 -0.000 0.000 0.302 122 G C -0.837 174.083 174.900 0.033 0.000 1.311 122 G CA -0.595 44.530 45.100 0.043 0.000 1.030 122 G HN 0.781 nan 8.290 nan 0.000 0.509 123 N N -1.229 117.486 118.700 0.024 0.000 4.190 123 N HA 0.153 4.893 4.740 -0.000 0.000 0.184 123 N C -1.177 174.341 175.510 0.015 0.000 1.230 123 N CA -0.367 52.695 53.050 0.019 0.000 0.927 123 N CB 1.066 39.566 38.487 0.020 0.000 1.653 123 N HN 0.342 nan 8.380 nan 0.000 0.832 124 V N 1.997 121.919 119.914 0.012 0.000 2.644 124 V HA 0.642 4.761 4.120 -0.000 0.000 0.295 124 V C 0.649 176.748 176.094 0.009 0.000 1.053 124 V CA -0.022 62.283 62.300 0.009 0.000 0.987 124 V CB 1.612 33.440 31.823 0.008 0.000 1.006 124 V HN 0.696 nan 8.190 nan 0.000 0.472 125 T N 1.452 116.011 114.554 0.007 0.000 2.883 125 T HA 0.904 5.254 4.350 -0.000 0.000 0.284 125 T C 0.091 174.794 174.700 0.005 0.000 1.041 125 T CA -0.115 61.989 62.100 0.007 0.000 1.007 125 T CB 1.976 70.848 68.868 0.007 0.000 1.220 125 T HN 1.174 nan 8.240 nan 0.000 0.552 126 G N -0.027 108.777 108.800 0.005 0.000 2.430 126 G HA2 0.599 4.559 3.960 -0.000 0.000 0.300 126 G HA3 0.599 4.559 3.960 -0.000 0.000 0.300 126 G C -2.484 172.419 174.900 0.004 0.000 1.330 126 G CA -0.576 44.527 45.100 0.004 0.000 0.813 126 G HN 1.025 nan 8.290 nan 0.000 0.487 127 D N -2.267 118.135 120.400 0.004 0.000 2.912 127 D HA 0.273 4.913 4.640 -0.000 0.000 0.263 127 D C 0.287 176.588 176.300 0.003 0.000 1.152 127 D CA 0.066 54.068 54.000 0.003 0.000 0.728 127 D CB 0.432 41.234 40.800 0.003 0.000 1.337 127 D HN 0.492 nan 8.370 nan 0.000 0.435 128 D N -0.414 119.988 120.400 0.003 0.000 2.357 128 D HA -0.187 4.453 4.640 -0.000 0.000 0.216 128 D C 1.082 177.383 176.300 0.002 0.000 0.973 128 D CA 1.736 55.737 54.000 0.002 0.000 0.912 128 D CB -0.873 39.929 40.800 0.002 0.000 0.900 128 D HN 0.519 nan 8.370 nan 0.000 0.501 129 T N -4.351 110.204 114.554 0.002 0.000 3.273 129 T HA 0.478 4.828 4.350 -0.000 0.000 0.254 129 T C 1.619 176.320 174.700 0.002 0.000 1.002 129 T CA -0.053 62.048 62.100 0.002 0.000 0.913 129 T CB -0.267 68.602 68.868 0.002 0.000 1.056 129 T HN 0.320 nan 8.240 nan 0.000 0.576 130 G N 1.980 110.782 108.800 0.002 0.000 2.216 130 G HA2 -0.383 3.577 3.960 -0.000 0.000 0.269 130 G HA3 -0.383 3.577 3.960 -0.000 0.000 0.269 130 G C 0.105 175.007 174.900 0.003 0.000 0.981 130 G CA 0.731 45.832 45.100 0.002 0.000 0.658 130 G HN 0.861 nan 8.290 nan 0.000 0.539 131 K N 0.734 121.135 120.400 0.003 0.000 2.378 131 K HA 0.404 4.724 4.320 -0.000 0.000 0.288 131 K C 0.181 176.783 176.600 0.003 0.000 1.057 131 K CA -0.646 55.642 56.287 0.003 0.000 0.971 131 K CB 0.067 32.569 32.500 0.003 0.000 0.975 131 K HN 0.056 nan 8.250 nan 0.000 0.475 132 I N 4.271 124.843 120.570 0.003 0.000 2.336 132 I HA 0.294 4.464 4.170 -0.000 0.000 0.292 132 I C 0.869 176.989 176.117 0.004 0.000 0.991 132 I CA -0.223 61.080 61.300 0.004 0.000 1.227 132 I CB 0.889 38.891 38.000 0.003 0.000 1.366 132 I HN 0.832 nan 8.210 nan 0.000 0.466 133 G N 3.686 112.489 108.800 0.005 0.000 2.820 133 G HA2 0.820 4.780 3.960 -0.000 0.000 0.291 133 G HA3 0.820 4.780 3.960 -0.000 0.000 0.291 133 G C -0.592 174.312 174.900 0.007 0.000 1.323 133 G CA -0.700 44.403 45.100 0.006 0.000 1.055 133 G HN 0.782 nan 8.290 nan 0.000 0.520 134 G N -1.856 106.948 108.800 0.008 0.000 2.695 134 G HA2 0.676 4.636 3.960 -0.000 0.000 0.290 134 G HA3 0.676 4.636 3.960 -0.000 0.000 0.290 134 G C -2.190 172.717 174.900 0.012 0.000 1.410 134 G CA -0.583 44.523 45.100 0.009 0.000 0.844 134 G HN 1.296 nan 8.290 nan 0.000 0.478 135 L N 0.216 121.448 121.223 0.015 0.000 2.751 135 L HA 0.665 5.005 4.340 -0.000 0.000 0.261 135 L C -1.664 175.221 176.870 0.026 0.000 0.927 135 L CA -0.492 54.359 54.840 0.019 0.000 0.968 135 L CB 1.369 43.440 42.059 0.019 0.000 1.432 135 L HN 0.539 nan 8.230 nan 0.000 0.439 136 I N 4.350 124.938 120.570 0.030 0.000 2.512 136 I HA 0.781 4.951 4.170 -0.000 0.000 0.287 136 I C 0.058 176.208 176.117 0.055 0.000 1.069 136 I CA -0.417 60.908 61.300 0.041 0.000 1.056 136 I CB 2.112 40.128 38.000 0.027 0.000 1.229 136 I HN 0.778 nan 8.210 nan 0.000 0.429 137 G N 3.755 112.604 108.800 0.081 0.000 2.690 137 G HA2 0.856 4.816 3.960 -0.000 0.000 0.291 137 G HA3 0.856 4.816 3.960 -0.000 0.000 0.291 137 G C -1.573 173.418 174.900 0.152 0.000 1.403 137 G CA -0.385 44.770 45.100 0.093 0.000 0.864 137 G HN 0.731 nan 8.290 nan 0.000 0.480 138 A N -0.015 122.895 122.820 0.151 0.000 2.464 138 A HA 0.995 5.315 4.320 -0.000 0.000 0.268 138 A C -0.460 177.142 177.584 0.030 0.000 1.244 138 A CA -0.300 51.838 52.037 0.169 0.000 0.871 138 A CB 1.861 21.047 19.000 0.310 0.000 1.400 138 A HN 1.875 nan 8.150 nan 0.000 0.455 139 N N -2.889 115.774 118.700 -0.061 0.000 3.171 139 N HA 0.503 5.243 4.740 -0.000 0.000 0.239 139 N C -1.668 173.730 175.510 -0.188 0.000 1.275 139 N CA -0.476 52.516 53.050 -0.096 0.000 0.920 139 N CB 1.126 39.563 38.487 -0.084 0.000 1.554 139 N HN 0.663 nan 8.380 nan 0.000 0.504 140 V N -0.494 119.302 119.914 -0.197 0.000 3.114 140 V HA 0.936 5.056 4.120 -0.000 0.000 0.308 140 V C -0.902 175.059 176.094 -0.222 0.000 1.168 140 V CA -0.580 61.522 62.300 -0.329 0.000 1.015 140 V CB 1.899 33.496 31.823 -0.377 0.000 1.050 140 V HN 1.174 nan 8.190 nan 0.000 0.433 141 S N 1.611 117.171 115.700 -0.234 0.000 2.616 141 S HA 0.697 5.167 4.470 -0.000 0.000 0.276 141 S C -1.484 173.050 174.600 -0.110 0.000 1.159 141 S CA -0.512 57.607 58.200 -0.135 0.000 1.000 141 S CB 0.988 64.127 63.200 -0.100 0.000 1.117 141 S HN 0.504 nan 8.310 nan 0.000 0.464 142 I N 2.926 123.456 120.570 -0.068 0.000 2.330 142 I HA 0.775 4.945 4.170 -0.000 0.000 0.289 142 I C 0.694 176.826 176.117 0.025 0.000 1.001 142 I CA 0.085 61.373 61.300 -0.021 0.000 1.193 142 I CB 1.421 39.415 38.000 -0.011 0.000 1.345 142 I HN 0.971 nan 8.210 nan 0.000 0.461 143 G N 4.843 113.670 108.800 0.045 0.000 2.619 143 G HA2 0.717 4.677 3.960 -0.000 0.000 0.296 143 G HA3 0.717 4.677 3.960 -0.000 0.000 0.296 143 G C -1.582 173.392 174.900 0.123 0.000 1.334 143 G CA -0.442 44.697 45.100 0.065 0.000 0.934 143 G HN 0.674 nan 8.290 nan 0.000 0.476 144 H N -1.259 117.780 119.070 -0.052 0.000 2.894 144 H HA 0.716 5.272 4.556 -0.000 0.000 0.367 144 H C -1.615 173.586 175.328 -0.213 0.000 1.144 144 H CA -0.785 55.185 56.048 -0.130 0.000 1.180 144 H CB 1.769 31.450 29.762 -0.135 0.000 1.758 144 H HN 0.355 nan 8.280 nan 0.000 0.541 145 T N 3.799 118.155 114.554 -0.330 0.000 2.824 145 T HA 0.333 4.683 4.350 -0.000 0.000 0.282 145 T C -0.385 174.120 174.700 -0.326 0.000 0.993 145 T CA -0.658 61.242 62.100 -0.334 0.000 0.967 145 T CB 1.400 70.150 68.868 -0.196 0.000 0.960 145 T HN 0.476 nan 8.240 nan 0.000 0.441 146 L N 3.709 124.778 121.223 -0.256 0.000 2.309 146 L HA 0.678 5.018 4.340 -0.000 0.000 0.282 146 L C -0.740 176.098 176.870 -0.053 0.000 1.036 146 L CA -0.154 54.627 54.840 -0.099 0.000 0.806 146 L CB 0.767 42.856 42.059 0.050 0.000 1.220 146 L HN 0.512 nan 8.230 nan 0.000 0.429 147 K N 5.153 125.570 120.400 0.028 0.000 2.427 147 K HA 0.676 4.996 4.320 -0.000 0.000 0.252 147 K C -1.896 174.755 176.600 0.084 0.000 0.931 147 K CA -0.587 55.652 56.287 -0.080 0.000 0.793 147 K CB 2.217 34.680 32.500 -0.061 0.000 1.211 147 K HN 0.601 nan 8.250 nan 0.000 0.426 148 Y N -2.546 117.744 120.300 -0.018 0.000 2.662 148 Y HA 0.460 5.010 4.550 -0.000 0.000 0.334 148 Y C -1.243 174.650 175.900 -0.013 0.000 1.185 148 Y CA -1.479 56.617 58.100 -0.006 0.000 1.074 148 Y CB 0.439 38.900 38.460 0.001 0.000 1.330 148 Y HN 0.139 nan 8.280 nan 0.000 0.458 149 V N 2.533 122.536 119.914 0.148 0.000 2.539 149 V HA 0.413 4.532 4.120 -0.000 0.000 0.292 149 V C -0.661 175.507 176.094 0.123 0.000 1.045 149 V CA -0.670 61.674 62.300 0.073 0.000 0.945 149 V CB 1.438 33.294 31.823 0.056 0.000 0.993 149 V HN 0.784 nan 8.190 nan 0.000 0.464 150 Q N 5.266 125.105 119.800 0.066 0.000 2.394 150 Q HA 0.389 4.729 4.340 -0.000 0.000 0.261 150 Q C -2.583 173.424 176.000 0.013 0.000 1.023 150 Q CA -1.632 54.207 55.803 0.060 0.000 0.720 150 Q CB 2.095 30.868 28.738 0.057 0.000 1.241 150 Q HN 0.572 nan 8.270 nan 0.000 0.483 151 P HA 0.067 nan 4.420 nan 0.000 0.274 151 P C -0.268 177.019 177.300 -0.023 0.000 1.231 151 P CA -0.202 62.915 63.100 0.029 0.000 0.790 151 P CB 1.250 32.988 31.700 0.064 0.000 0.951 152 D N 0.181 120.588 120.400 0.012 0.000 2.182 152 D HA -0.038 4.602 4.640 -0.000 0.000 0.201 152 D C 0.162 176.315 176.300 -0.246 0.000 0.986 152 D CA 1.587 55.529 54.000 -0.097 0.000 0.847 152 D CB -0.211 40.678 40.800 0.149 0.000 0.942 152 D HN 0.319 nan 8.370 nan 0.000 0.467 153 F N -0.370 119.530 119.950 -0.083 0.000 2.576 153 F HA 0.378 4.905 4.527 -0.000 0.000 0.313 153 F C 0.189 175.984 175.800 -0.008 0.000 1.078 153 F CA -1.027 56.956 58.000 -0.028 0.000 0.921 153 F CB 1.773 40.805 39.000 0.053 0.000 1.232 153 F HN -0.555 nan 8.300 nan 0.000 0.459 154 K N 0.947 121.448 120.400 0.168 0.000 2.138 154 K HA 0.592 4.912 4.320 -0.000 0.000 0.263 154 K C -0.880 175.798 176.600 0.130 0.000 0.965 154 K CA -0.741 55.614 56.287 0.114 0.000 0.868 154 K CB 1.608 34.145 32.500 0.061 0.000 1.083 154 K HN 0.498 nan 8.250 nan 0.000 0.443 155 T N 3.437 118.059 114.554 0.114 0.000 2.770 155 T HA 0.416 4.766 4.350 -0.000 0.000 0.297 155 T C -0.087 174.673 174.700 0.101 0.000 0.997 155 T CA -0.477 61.698 62.100 0.126 0.000 0.949 155 T CB -0.016 68.956 68.868 0.173 0.000 0.941 155 T HN 0.324 nan 8.240 nan 0.000 0.457 156 I N 3.641 124.257 120.570 0.077 0.000 2.433 156 I HA 0.394 4.563 4.170 -0.000 0.000 0.292 156 I C -0.503 175.577 176.117 -0.061 0.000 1.001 156 I CA -1.222 60.087 61.300 0.015 0.000 1.119 156 I CB 1.977 39.971 38.000 -0.010 0.000 1.289 156 I HN 0.369 nan 8.210 nan 0.000 0.438 157 L N 6.733 127.864 121.223 -0.154 0.000 2.281 157 L HA 0.330 4.670 4.340 -0.000 0.000 0.285 157 L C 0.032 176.648 176.870 -0.424 0.000 1.074 157 L CA 0.320 54.873 54.840 -0.479 0.000 0.817 157 L CB 0.420 42.230 42.059 -0.416 0.000 1.168 157 L HN 0.504 nan 8.230 nan 0.000 0.434 158 E N 2.855 122.750 120.200 -0.508 0.000 2.331 158 E HA 0.178 4.528 4.350 -0.000 0.000 0.272 158 E C -0.136 176.237 176.600 -0.379 0.000 1.036 158 E CA -0.463 55.728 56.400 -0.348 0.000 0.864 158 E CB 0.678 30.205 29.700 -0.289 0.000 1.035 158 E HN 0.687 nan 8.360 nan 0.000 0.408 159 S N 4.762 120.308 115.700 -0.257 0.000 2.811 159 S HA 0.002 4.472 4.470 -0.000 0.000 0.325 159 S C -1.746 172.698 174.600 -0.261 0.000 1.224 159 S CA -0.648 57.416 58.200 -0.228 0.000 1.125 159 S CB -0.457 62.658 63.200 -0.141 0.000 0.867 159 S HN 0.382 nan 8.310 nan 0.000 0.512 160 P HA 0.502 nan 4.420 nan 0.000 0.283 160 P C -0.252 176.964 177.300 -0.140 0.000 1.278 160 P CA -0.550 62.369 63.100 -0.302 0.000 0.834 160 P CB 1.428 32.800 31.700 -0.545 0.000 1.150 161 T N -3.516 110.991 114.554 -0.079 0.000 2.693 161 T HA 0.307 4.657 4.350 -0.000 0.000 0.278 161 T C 0.691 175.407 174.700 0.025 0.000 0.994 161 T CA -0.435 61.653 62.100 -0.019 0.000 1.033 161 T CB 0.367 69.222 68.868 -0.021 0.000 1.342 161 T HN 0.411 nan 8.240 nan 0.000 0.538 162 D N -0.518 119.902 120.400 0.033 0.000 2.349 162 D HA 0.050 4.690 4.640 -0.000 0.000 0.224 162 D C 1.035 177.365 176.300 0.051 0.000 1.029 162 D CA 0.247 54.278 54.000 0.051 0.000 0.879 162 D CB 0.078 40.900 40.800 0.037 0.000 0.906 162 D HN 0.332 nan 8.370 nan 0.000 0.528 163 K N 0.070 120.492 120.400 0.036 0.000 2.425 163 K HA 0.150 4.470 4.320 -0.000 0.000 0.201 163 K C 0.656 177.277 176.600 0.035 0.000 1.128 163 K CA 0.279 56.590 56.287 0.040 0.000 1.000 163 K CB 1.349 33.867 32.500 0.030 0.000 0.961 163 K HN 0.423 nan 8.250 nan 0.000 0.555 164 K N -0.615 119.789 120.400 0.007 0.000 2.532 164 K HA 0.609 4.929 4.320 -0.000 0.000 0.265 164 K C -1.256 175.286 176.600 -0.095 0.000 0.948 164 K CA -0.905 55.371 56.287 -0.020 0.000 0.842 164 K CB 2.606 35.089 32.500 -0.028 0.000 1.392 164 K HN -0.195 nan 8.250 nan 0.000 0.436 165 V N -0.072 119.761 119.914 -0.136 0.000 3.120 165 V HA 0.881 5.001 4.120 -0.000 0.000 0.303 165 V C -1.393 174.472 176.094 -0.382 0.000 1.238 165 V CA 0.233 62.324 62.300 -0.348 0.000 1.008 165 V CB 2.083 33.701 31.823 -0.342 0.000 1.064 165 V HN 1.171 nan 8.190 nan 0.000 0.434 166 G N 3.631 112.031 108.800 -0.667 0.000 2.646 166 G HA2 0.620 4.579 3.960 -0.000 0.000 0.291 166 G HA3 0.620 4.579 3.960 -0.000 0.000 0.291 166 G C -2.125 172.319 174.900 -0.760 0.000 1.445 166 G CA -0.536 44.278 45.100 -0.478 0.000 0.814 166 G HN 0.722 nan 8.290 nan 0.000 0.495 167 W N 0.428 121.540 121.300 -0.313 0.000 2.950 167 W HA 0.590 5.249 4.660 -0.000 0.000 0.340 167 W C -0.495 175.889 176.519 -0.226 0.000 1.139 167 W CA -0.822 56.255 57.345 -0.447 0.000 1.188 167 W CB 2.748 31.513 29.460 -1.159 0.000 1.426 167 W HN 0.689 nan 8.180 nan 0.000 0.531 168 K N 0.294 120.729 120.400 0.058 0.000 2.507 168 K HA 0.629 4.949 4.320 -0.000 0.000 0.251 168 K C -1.535 175.123 176.600 0.098 0.000 0.943 168 K CA -0.830 55.508 56.287 0.086 0.000 0.794 168 K CB 2.021 34.547 32.500 0.042 0.000 1.188 168 K HN 0.118 nan 8.250 nan 0.000 0.428 169 V N 5.139 125.116 119.914 0.106 0.000 2.294 169 V HA 0.303 4.423 4.120 -0.000 0.000 0.272 169 V C 0.064 176.358 176.094 0.333 0.000 1.027 169 V CA -0.683 61.667 62.300 0.084 0.000 0.823 169 V CB 0.256 31.838 31.823 -0.402 0.000 1.030 169 V HN 0.810 nan 8.190 nan 0.000 0.457 170 I N 1.378 122.133 120.570 0.309 0.000 2.437 170 I HA 0.618 4.788 4.170 -0.000 0.000 0.298 170 I C -0.223 175.991 176.117 0.163 0.000 0.984 170 I CA -0.698 60.773 61.300 0.285 0.000 1.214 170 I CB 1.361 39.442 38.000 0.134 0.000 1.365 170 I HN 0.441 nan 8.210 nan 0.000 0.469 171 F N 5.581 125.410 119.950 -0.203 0.000 2.578 171 F HA 0.100 4.626 4.527 -0.000 0.000 0.376 171 F C 0.920 176.571 175.800 -0.249 0.000 1.085 171 F CA 0.478 58.060 58.000 -0.696 0.000 1.260 171 F CB 0.511 39.373 39.000 -0.230 0.000 1.095 171 F HN 0.791 nan 8.300 nan 0.000 0.573 172 N N 3.020 121.271 118.700 -0.748 0.000 2.517 172 N HA 0.117 4.857 4.740 -0.000 0.000 0.202 172 N C -1.179 174.103 175.510 -0.380 0.000 1.042 172 N CA 0.915 53.752 53.050 -0.354 0.000 0.952 172 N CB 0.131 38.468 38.487 -0.251 0.000 1.211 172 N HN 0.788 nan 8.380 nan 0.000 0.458 173 N N -1.182 117.094 118.700 -0.707 0.000 3.185 173 N HA 0.293 5.033 4.740 -0.000 0.000 0.238 173 N C -1.698 173.551 175.510 -0.434 0.000 1.451 173 N CA -0.716 52.112 53.050 -0.370 0.000 0.888 173 N CB 1.335 39.761 38.487 -0.102 0.000 1.413 173 N HN 0.149 nan 8.380 nan 0.000 0.511 174 M N 0.411 119.958 119.600 -0.088 0.000 2.534 174 M HA 0.475 4.955 4.480 -0.000 0.000 0.280 174 M C -1.854 174.464 176.300 0.030 0.000 1.217 174 M CA -0.850 54.444 55.300 -0.009 0.000 0.893 174 M CB 2.186 34.884 32.600 0.163 0.000 1.730 174 M HN 0.417 nan 8.290 nan 0.000 0.483 175 V N 3.575 123.507 119.914 0.030 0.000 2.461 175 V HA 0.311 4.431 4.120 -0.000 0.000 0.275 175 V C -0.122 176.044 176.094 0.119 0.000 1.047 175 V CA -0.536 61.785 62.300 0.035 0.000 0.955 175 V CB 1.042 32.874 31.823 0.016 0.000 0.988 175 V HN 0.737 nan 8.190 nan 0.000 0.471 176 N N 4.413 123.234 118.700 0.202 0.000 2.546 176 N HA 0.204 4.944 4.740 -0.000 0.000 0.238 176 N C 0.009 175.667 175.510 0.246 0.000 0.984 176 N CA -0.352 52.839 53.050 0.235 0.000 0.935 176 N CB 0.669 39.341 38.487 0.308 0.000 1.122 176 N HN 0.740 nan 8.380 nan 0.000 0.510 177 Q N 2.855 122.761 119.800 0.177 0.000 2.431 177 Q HA -0.301 4.039 4.340 -0.000 0.000 0.344 177 Q C -0.452 175.736 176.000 0.313 0.000 1.384 177 Q CA 0.899 56.813 55.803 0.186 0.000 0.984 177 Q CB -1.733 27.085 28.738 0.134 0.000 1.204 177 Q HN 0.872 nan 8.270 nan 0.000 0.392 178 N N -3.429 115.393 118.700 0.202 0.000 2.863 178 N HA -0.223 4.517 4.740 -0.000 0.000 0.245 178 N C -0.777 174.755 175.510 0.036 0.000 1.001 178 N CA 1.116 54.228 53.050 0.104 0.000 0.901 178 N CB -0.573 37.953 38.487 0.065 0.000 1.124 178 N HN 0.519 nan 8.380 nan 0.000 0.582 179 W N 0.206 121.489 121.300 -0.028 0.000 2.736 179 W HA 0.692 5.351 4.660 -0.001 0.000 0.355 179 W C 1.054 177.377 176.519 -0.326 0.000 1.102 179 W CA 0.945 58.242 57.345 -0.081 0.000 1.164 179 W CB 0.941 30.444 29.460 0.071 0.000 1.422 179 W HN 0.166 nan 8.180 nan 0.000 0.572 180 G N 0.990 109.557 108.800 -0.388 0.000 2.578 180 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.232 180 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.232 180 G C -2.273 172.380 174.900 -0.412 0.000 1.176 180 G CA -0.559 43.987 45.100 -0.922 0.000 0.968 180 G HN 0.519 nan 8.290 nan 0.000 0.583 181 P HA 0.519 nan 4.420 nan 0.000 0.272 181 P C -1.108 175.964 177.300 -0.381 0.000 1.223 181 P CA 0.142 63.059 63.100 -0.304 0.000 0.784 181 P CB 0.433 32.051 31.700 -0.137 0.000 0.923 182 Y N 0.358 120.670 120.300 0.019 0.000 2.568 182 Y HA 0.467 5.017 4.550 -0.000 0.000 0.327 182 Y C 0.950 176.891 175.900 0.068 0.000 1.163 182 Y CA -0.106 58.006 58.100 0.020 0.000 1.219 182 Y CB 1.025 39.454 38.460 -0.051 0.000 1.308 182 Y HN 0.466 nan 8.280 nan 0.000 0.503 183 D N -2.217 118.348 120.400 0.275 0.000 2.825 183 D HA 0.277 4.917 4.640 -0.000 0.000 0.327 183 D C 0.050 176.489 176.300 0.232 0.000 1.277 183 D CA -0.842 53.346 54.000 0.313 0.000 0.950 183 D CB 0.532 41.489 40.800 0.261 0.000 1.438 183 D HN 0.353 nan 8.370 nan 0.000 0.526 184 R N -0.599 120.067 120.500 0.276 0.000 2.285 184 R HA 0.038 4.377 4.340 -0.000 0.000 0.213 184 R C -0.148 176.289 176.300 0.228 0.000 1.068 184 R CA 0.898 57.155 56.100 0.261 0.000 1.004 184 R CB -0.105 30.362 30.300 0.278 0.000 0.873 184 R HN 0.423 nan 8.270 nan 0.000 0.467 185 D N -0.298 120.229 120.400 0.212 0.000 2.469 185 D HA 0.082 4.722 4.640 -0.000 0.000 0.213 185 D C -0.313 176.138 176.300 0.251 0.000 1.135 185 D CA 0.109 54.227 54.000 0.198 0.000 0.834 185 D CB 0.670 41.557 40.800 0.145 0.000 1.009 185 D HN -0.105 nan 8.370 nan 0.000 0.507 186 S N 1.002 116.864 115.700 0.271 0.000 2.537 186 S HA 0.054 4.524 4.470 -0.000 0.000 0.286 186 S C -0.429 174.401 174.600 0.384 0.000 1.299 186 S CA -0.031 58.352 58.200 0.305 0.000 1.067 186 S CB 0.933 64.332 63.200 0.333 0.000 0.864 186 S HN 0.290 nan 8.310 nan 0.000 0.494 187 W N 4.943 126.322 121.300 0.132 0.000 2.968 187 W HA 0.278 4.937 4.660 -0.001 0.000 0.337 187 W C -1.324 175.263 176.519 0.113 0.000 1.060 187 W CA -0.609 56.800 57.345 0.107 0.000 1.240 187 W CB 1.206 30.715 29.460 0.081 0.000 1.370 187 W HN 0.539 nan 8.180 nan 0.000 0.459 188 N N 6.228 124.664 118.700 -0.440 0.000 2.399 188 N HA 0.318 5.058 4.740 -0.000 0.000 0.295 188 N C -1.944 173.269 175.510 -0.494 0.000 1.048 188 N CA -1.614 51.287 53.050 -0.249 0.000 0.886 188 N CB 2.787 41.223 38.487 -0.085 0.000 1.185 188 N HN 0.042 nan 8.380 nan 0.000 0.487 189 P HA -0.138 nan 4.420 nan 0.000 0.216 189 P C 1.265 178.446 177.300 -0.198 0.000 1.153 189 P CA 1.050 64.117 63.100 -0.054 0.000 0.858 189 P CB 0.482 32.197 31.700 0.025 0.000 0.789 190 V N -2.456 117.283 119.914 -0.292 0.000 2.331 190 V HA -0.157 3.962 4.120 -0.000 0.000 0.242 190 V C 1.954 177.653 176.094 -0.659 0.000 1.034 190 V CA 1.662 63.655 62.300 -0.511 0.000 1.027 190 V CB -1.397 29.982 31.823 -0.740 0.000 0.667 190 V HN 0.042 nan 8.190 nan 0.000 0.457 191 Y N 0.548 120.655 120.300 -0.322 0.000 2.500 191 Y HA 0.490 5.040 4.550 0.000 0.000 0.270 191 Y C 1.753 177.353 175.900 -0.500 0.000 1.134 191 Y CA 0.539 58.433 58.100 -0.343 0.000 1.293 191 Y CB -0.102 38.199 38.460 -0.265 0.000 1.063 191 Y HN 0.366 nan 8.280 nan 0.000 0.534 192 G N 1.066 109.417 108.800 -0.749 0.000 2.509 192 G HA2 -0.332 3.628 3.960 -0.000 0.000 0.259 192 G HA3 -0.332 3.628 3.960 -0.000 0.000 0.259 192 G C -0.447 174.026 174.900 -0.713 0.000 1.169 192 G CA -0.139 44.096 45.100 -1.442 0.000 0.953 192 G HN 0.320 nan 8.290 nan 0.000 0.563 193 N N 1.698 120.228 118.700 -0.283 0.000 2.420 193 N HA 0.329 5.069 4.740 -0.000 0.000 0.249 193 N C 0.915 176.410 175.510 -0.024 0.000 1.033 193 N CA 0.062 53.120 53.050 0.013 0.000 0.944 193 N CB 0.982 39.633 38.487 0.273 0.000 1.113 193 N HN 0.623 nan 8.380 nan 0.000 0.502 194 Q N 3.651 123.259 119.800 -0.320 0.000 2.247 194 Q HA 0.121 4.461 4.340 -0.000 0.000 0.205 194 Q C 1.665 177.259 176.000 -0.678 0.000 0.896 194 Q CA -0.286 55.214 55.803 -0.507 0.000 0.950 194 Q CB 0.649 28.891 28.738 -0.826 0.000 1.054 194 Q HN 0.637 nan 8.270 nan 0.000 0.482 195 L N -0.119 120.782 121.223 -0.536 0.000 1.997 195 L HA -0.237 4.103 4.340 -0.000 0.000 0.227 195 L C 0.636 176.938 176.870 -0.946 0.000 1.087 195 L CA 1.784 56.171 54.840 -0.756 0.000 0.797 195 L CB 0.021 41.480 42.059 -0.999 0.000 0.902 195 L HN 0.316 nan 8.230 nan 0.000 0.441 196 F N -1.323 118.131 119.950 -0.827 0.000 2.772 196 F HA 0.294 4.820 4.527 -0.000 0.000 0.302 196 F C 0.660 176.378 175.800 -0.136 0.000 1.136 196 F CA -0.318 57.373 58.000 -0.515 0.000 1.322 196 F CB -0.077 38.526 39.000 -0.662 0.000 0.967 196 F HN 0.007 nan 8.300 nan 0.000 0.513 197 M N 1.290 120.898 119.600 0.013 0.000 2.162 197 M HA 0.136 4.616 4.480 -0.000 0.000 0.356 197 M C 1.319 177.568 176.300 -0.085 0.000 1.303 197 M CA 0.102 55.400 55.300 -0.003 0.000 1.116 197 M CB 1.145 33.705 32.600 -0.066 0.000 1.632 197 M HN 0.252 nan 8.290 nan 0.000 0.469 198 K N 2.646 122.972 120.400 -0.123 0.000 1.991 198 K HA 0.021 4.341 4.320 -0.000 0.000 0.208 198 K C 0.254 176.773 176.600 -0.135 0.000 1.038 198 K CA 1.501 57.727 56.287 -0.101 0.000 0.943 198 K CB 0.109 32.549 32.500 -0.099 0.000 0.736 198 K HN 0.822 nan 8.250 nan 0.000 0.440 199 T N -1.579 112.877 114.554 -0.163 0.000 2.888 199 T HA 0.389 4.739 4.350 -0.000 0.000 0.284 199 T C 0.587 175.281 174.700 -0.010 0.000 1.017 199 T CA -0.916 61.133 62.100 -0.086 0.000 1.022 199 T CB 2.069 70.936 68.868 -0.003 0.000 1.013 199 T HN 0.149 nan 8.240 nan 0.000 0.465 200 R N 1.018 121.514 120.500 -0.007 0.000 2.127 200 R HA 0.146 4.486 4.340 -0.000 0.000 0.217 200 R C 1.001 177.546 176.300 0.408 0.000 1.074 200 R CA 0.630 56.777 56.100 0.079 0.000 0.991 200 R CB 0.043 30.169 30.300 -0.290 0.000 0.895 200 R HN 0.590 nan 8.270 nan 0.000 0.450 201 N N -0.129 118.791 118.700 0.367 0.000 2.143 201 N HA 0.051 4.791 4.740 -0.000 0.000 0.222 201 N C 0.318 176.103 175.510 0.459 0.000 1.264 201 N CA 0.091 53.399 53.050 0.429 0.000 0.897 201 N CB 1.191 39.825 38.487 0.245 0.000 1.092 201 N HN 0.076 nan 8.380 nan 0.000 0.516 202 G N 1.167 110.238 108.800 0.453 0.000 2.460 202 G HA2 0.006 3.966 3.960 -0.000 0.000 0.230 202 G HA3 0.006 3.966 3.960 -0.000 0.000 0.230 202 G C 0.926 175.999 174.900 0.287 0.000 1.248 202 G CA 0.220 45.511 45.100 0.317 0.000 0.863 202 G HN 0.230 nan 8.290 nan 0.000 0.549 203 S N 2.001 117.739 115.700 0.063 0.000 2.556 203 S HA 0.104 4.573 4.470 -0.000 0.000 0.216 203 S C 1.356 175.927 174.600 -0.048 0.000 0.970 203 S CA 0.102 58.231 58.200 -0.120 0.000 0.912 203 S CB -0.193 62.924 63.200 -0.138 0.000 0.790 203 S HN 0.730 nan 8.310 nan 0.000 0.504 204 M N 1.387 121.021 119.600 0.057 0.000 1.868 204 M HA 0.407 4.887 4.480 -0.000 0.000 0.227 204 M C -0.202 176.154 176.300 0.095 0.000 1.334 204 M CA 0.170 55.491 55.300 0.036 0.000 0.974 204 M CB -0.492 32.110 32.600 0.004 0.000 1.303 204 M HN -0.088 nan 8.290 nan 0.000 0.446 205 K N 0.177 120.603 120.400 0.043 0.000 2.295 205 K HA 0.377 4.697 4.320 -0.000 0.000 0.270 205 K C 1.339 177.946 176.600 0.012 0.000 1.011 205 K CA 0.138 56.467 56.287 0.069 0.000 0.953 205 K CB 0.563 33.082 32.500 0.032 0.000 0.956 205 K HN 0.718 nan 8.250 nan 0.000 0.477 206 A N 2.450 125.331 122.820 0.101 0.000 1.892 206 A HA -0.252 4.068 4.320 -0.000 0.000 0.218 206 A C 2.139 179.511 177.584 -0.354 0.000 1.188 206 A CA 2.341 54.255 52.037 -0.206 0.000 0.631 206 A CB -0.861 18.218 19.000 0.131 0.000 0.822 206 A HN 0.840 nan 8.150 nan 0.000 0.447 207 A N -1.183 121.607 122.820 -0.049 0.000 2.178 207 A HA -0.065 4.255 4.320 -0.000 0.000 0.218 207 A C 1.392 179.029 177.584 0.088 0.000 1.157 207 A CA 1.807 53.921 52.037 0.128 0.000 0.689 207 A CB -0.447 18.629 19.000 0.126 0.000 0.787 207 A HN 0.484 nan 8.150 nan 0.000 0.465 208 D N -1.604 118.747 120.400 -0.082 0.000 2.369 208 D HA 0.057 4.697 4.640 -0.000 0.000 0.211 208 D C 0.977 177.168 176.300 -0.182 0.000 1.077 208 D CA 0.046 54.007 54.000 -0.064 0.000 0.842 208 D CB -0.082 40.692 40.800 -0.043 0.000 0.947 208 D HN 0.520 nan 8.370 nan 0.000 0.509 209 N N 0.079 118.500 118.700 -0.466 0.000 2.320 209 N HA 0.050 4.790 4.740 -0.000 0.000 0.237 209 N C -0.790 174.387 175.510 -0.555 0.000 1.129 209 N CA -0.164 52.520 53.050 -0.609 0.000 0.854 209 N CB 0.213 38.020 38.487 -1.133 0.000 1.083 209 N HN -0.102 nan 8.380 nan 0.000 0.504 210 F N 1.007 120.901 119.950 -0.093 0.000 2.421 210 F HA 0.307 4.834 4.527 0.000 0.000 0.337 210 F C 0.365 176.199 175.800 0.058 0.000 1.105 210 F CA -0.922 57.082 58.000 0.006 0.000 1.049 210 F CB 0.861 39.866 39.000 0.009 0.000 1.139 210 F HN -0.074 nan 8.300 nan 0.000 0.479 211 L N 3.336 124.743 121.223 0.307 0.000 2.615 211 L HA -0.057 4.283 4.340 -0.000 0.000 0.284 211 L C 0.231 177.224 176.870 0.206 0.000 1.237 211 L CA 0.207 55.176 54.840 0.215 0.000 0.905 211 L CB -0.211 41.996 42.059 0.248 0.000 1.149 211 L HN 0.581 nan 8.230 nan 0.000 0.499 212 D N 7.079 127.545 120.400 0.111 0.000 2.458 212 D HA 0.055 4.695 4.640 -0.000 0.000 0.243 212 D C -1.553 174.721 176.300 -0.042 0.000 1.146 212 D CA -1.281 52.759 54.000 0.067 0.000 0.877 212 D CB 1.024 41.850 40.800 0.043 0.000 1.176 212 D HN 0.435 nan 8.370 nan 0.000 0.461 213 P HA -0.169 nan 4.420 nan 0.000 0.219 213 P C 0.467 177.656 177.300 -0.185 0.000 1.146 213 P CA 0.850 63.703 63.100 -0.411 0.000 0.808 213 P CB 0.280 31.745 31.700 -0.391 0.000 0.779 214 N N 0.205 118.858 118.700 -0.079 0.000 2.459 214 N HA -0.052 4.688 4.740 -0.000 0.000 0.181 214 N C 1.273 176.776 175.510 -0.012 0.000 1.046 214 N CA 0.813 53.843 53.050 -0.034 0.000 0.904 214 N CB -0.207 38.273 38.487 -0.011 0.000 0.964 214 N HN 0.347 nan 8.380 nan 0.000 0.444 215 K N 0.065 120.461 120.400 -0.008 0.000 2.410 215 K HA 0.329 4.649 4.320 -0.000 0.000 0.200 215 K C -0.030 176.596 176.600 0.044 0.000 1.023 215 K CA -0.210 56.092 56.287 0.025 0.000 1.149 215 K CB 0.782 33.306 32.500 0.040 0.000 0.859 215 K HN 0.038 nan 8.250 nan 0.000 0.514 216 A N 0.313 123.143 122.820 0.018 0.000 2.530 216 A HA 0.381 4.701 4.320 -0.000 0.000 0.288 216 A C -0.606 177.029 177.584 0.086 0.000 1.172 216 A CA -0.617 51.464 52.037 0.074 0.000 0.733 216 A CB 1.268 20.303 19.000 0.058 0.000 1.320 216 A HN 0.020 nan 8.150 nan 0.000 0.419 217 S N 0.313 116.130 115.700 0.194 0.000 2.673 217 S HA 0.093 4.563 4.470 -0.000 0.000 0.308 217 S C 1.576 176.272 174.600 0.161 0.000 1.246 217 S CA 0.432 58.773 58.200 0.235 0.000 1.077 217 S CB -0.017 63.461 63.200 0.463 0.000 0.814 217 S HN 1.791 nan 8.310 nan 0.000 0.503 218 S N 5.260 121.018 115.700 0.097 0.000 2.442 218 S HA -0.109 4.361 4.470 -0.000 0.000 0.236 218 S C 1.614 176.256 174.600 0.069 0.000 1.007 218 S CA 0.790 59.019 58.200 0.050 0.000 0.965 218 S CB -0.397 62.817 63.200 0.023 0.000 0.773 218 S HN 0.652 nan 8.310 nan 0.000 0.504 219 L N 1.152 122.428 121.223 0.089 0.000 2.131 219 L HA 0.103 4.442 4.340 -0.000 0.000 0.210 219 L C 2.431 179.474 176.870 0.287 0.000 1.092 219 L CA 1.227 56.090 54.840 0.039 0.000 0.759 219 L CB -0.781 41.099 42.059 -0.299 0.000 0.903 219 L HN 0.346 nan 8.230 nan 0.000 0.435 220 L N -1.466 119.975 121.223 0.362 0.000 2.079 220 L HA -0.242 4.098 4.340 -0.000 0.000 0.210 220 L C 2.378 179.417 176.870 0.283 0.000 1.081 220 L CA 1.622 56.709 54.840 0.411 0.000 0.752 220 L CB -0.517 41.689 42.059 0.245 0.000 0.896 220 L HN 0.472 nan 8.230 nan 0.000 0.433 221 S N -2.674 113.105 115.700 0.131 0.000 2.826 221 S HA 0.021 4.491 4.470 -0.000 0.000 0.193 221 S C 1.928 176.601 174.600 0.120 0.000 0.838 221 S CA 0.363 58.632 58.200 0.115 0.000 0.844 221 S CB -0.137 63.063 63.200 -0.001 0.000 0.816 221 S HN 0.116 nan 8.310 nan 0.000 0.626 222 S N 1.342 117.083 115.700 0.068 0.000 2.400 222 S HA 0.376 4.846 4.470 -0.000 0.000 0.232 222 S C 1.147 175.782 174.600 0.058 0.000 1.025 222 S CA 1.005 59.234 58.200 0.049 0.000 0.993 222 S CB -1.045 62.162 63.200 0.013 0.000 0.808 222 S HN 1.334 nan 8.310 nan 0.000 0.478 223 G N 0.258 109.098 108.800 0.066 0.000 2.423 223 G HA2 0.066 4.026 3.960 -0.000 0.000 0.684 223 G HA3 0.066 4.026 3.960 -0.000 0.000 0.684 223 G C -1.140 173.666 174.900 -0.158 0.000 1.309 223 G CA -0.701 44.409 45.100 0.016 0.000 0.950 223 G HN 0.283 nan 8.290 nan 0.000 0.587 224 F N 0.917 120.501 119.950 -0.611 0.000 2.469 224 F HA 0.774 5.300 4.527 -0.000 0.000 0.332 224 F C 0.210 175.756 175.800 -0.423 0.000 1.103 224 F CA -0.735 56.843 58.000 -0.703 0.000 0.979 224 F CB 2.339 40.522 39.000 -1.362 0.000 1.137 224 F HN 0.471 nan 8.300 nan 0.000 0.463 225 S N 7.461 122.418 115.700 -1.239 0.000 2.474 225 S HA 0.395 4.865 4.470 -0.000 0.000 0.320 225 S C -2.577 171.116 174.600 -1.513 0.000 1.067 225 S CA -1.150 56.438 58.200 -1.020 0.000 1.127 225 S CB 0.713 63.584 63.200 -0.549 0.000 0.971 225 S HN 0.412 nan 8.310 nan 0.000 0.472 226 P HA 0.172 nan 4.420 nan 0.000 0.267 226 P C -0.418 176.229 177.300 -1.089 0.000 1.200 226 P CA 0.123 62.416 63.100 -1.346 0.000 0.772 226 P CB 0.388 31.605 31.700 -0.805 0.000 0.855 227 D N 1.949 121.533 120.400 -1.360 0.000 3.118 227 D HA 0.231 4.870 4.640 -0.000 0.000 0.286 227 D C -1.413 174.522 176.300 -0.609 0.000 1.255 227 D CA -0.224 53.349 54.000 -0.713 0.000 0.748 227 D CB -0.518 40.016 40.800 -0.443 0.000 1.332 227 D HN 0.102 nan 8.370 nan 0.000 0.575 228 F N 0.611 120.302 119.950 -0.432 0.000 2.470 228 F HA 0.832 5.359 4.527 -0.000 0.000 0.329 228 F C 0.749 176.343 175.800 -0.344 0.000 1.072 228 F CA -1.379 56.180 58.000 -0.735 0.000 0.989 228 F CB 1.921 39.889 39.000 -1.720 0.000 1.193 228 F HN 0.072 nan 8.300 nan 0.000 0.481 229 A N 1.120 123.983 122.820 0.072 0.000 2.371 229 A HA 0.813 5.133 4.320 -0.000 0.000 0.311 229 A C -0.931 176.910 177.584 0.429 0.000 1.068 229 A CA -0.563 51.612 52.037 0.229 0.000 0.744 229 A CB 1.470 20.607 19.000 0.229 0.000 1.239 229 A HN 0.676 nan 8.150 nan 0.000 0.435 230 T N 1.277 116.047 114.554 0.361 0.000 2.886 230 T HA 0.552 4.902 4.350 -0.000 0.000 0.292 230 T C -0.899 173.939 174.700 0.230 0.000 1.012 230 T CA -0.358 61.975 62.100 0.388 0.000 0.982 230 T CB 1.506 70.613 68.868 0.398 0.000 1.018 230 T HN 0.534 nan 8.240 nan 0.000 0.451 231 V N 4.167 124.198 119.914 0.195 0.000 2.384 231 V HA 0.535 4.655 4.120 -0.000 0.000 0.287 231 V C -0.701 175.482 176.094 0.148 0.000 1.020 231 V CA -0.779 61.602 62.300 0.135 0.000 0.850 231 V CB 1.153 33.028 31.823 0.087 0.000 0.987 231 V HN 0.712 nan 8.190 nan 0.000 0.436 232 I N 4.423 125.100 120.570 0.178 0.000 2.404 232 I HA 0.563 4.733 4.170 -0.000 0.000 0.293 232 I C 0.578 176.835 176.117 0.233 0.000 0.992 232 I CA 0.073 61.508 61.300 0.225 0.000 1.149 232 I CB 2.247 40.438 38.000 0.318 0.000 1.315 232 I HN 0.772 nan 8.210 nan 0.000 0.446 233 T N 3.237 117.847 114.554 0.092 0.000 2.925 233 T HA 0.834 5.184 4.350 -0.000 0.000 0.285 233 T C -0.451 174.083 174.700 -0.278 0.000 1.021 233 T CA -0.767 61.309 62.100 -0.040 0.000 1.042 233 T CB 1.715 70.570 68.868 -0.021 0.000 1.037 233 T HN 0.408 nan 8.240 nan 0.000 0.481 234 M N 1.964 121.257 119.600 -0.512 0.000 2.324 234 M HA 0.453 4.933 4.480 -0.000 0.000 0.288 234 M C -1.589 174.447 176.300 -0.440 0.000 1.097 234 M CA -0.642 54.229 55.300 -0.715 0.000 0.928 234 M CB 2.021 33.572 32.600 -1.747 0.000 1.648 234 M HN 0.793 nan 8.290 nan 0.000 0.460 235 D N 2.008 122.222 120.400 -0.310 0.000 2.390 235 D HA 0.238 4.878 4.640 -0.000 0.000 0.249 235 D C 0.739 176.930 176.300 -0.182 0.000 1.144 235 D CA 0.308 54.189 54.000 -0.198 0.000 0.880 235 D CB 1.100 41.816 40.800 -0.140 0.000 1.182 235 D HN 0.631 nan 8.370 nan 0.000 0.451 236 R N 2.284 122.710 120.500 -0.123 0.000 2.193 236 R HA -0.065 4.275 4.340 -0.000 0.000 0.229 236 R C 1.020 177.287 176.300 -0.056 0.000 1.110 236 R CA 0.754 56.809 56.100 -0.075 0.000 0.988 236 R CB 0.133 30.410 30.300 -0.039 0.000 0.871 236 R HN 0.322 nan 8.270 nan 0.000 0.458 237 K N 0.230 120.594 120.400 -0.061 0.000 2.404 237 K HA 0.189 4.509 4.320 -0.000 0.000 0.194 237 K C 0.330 176.904 176.600 -0.044 0.000 1.023 237 K CA 0.031 56.292 56.287 -0.042 0.000 1.094 237 K CB 0.437 32.914 32.500 -0.037 0.000 0.841 237 K HN 0.057 nan 8.250 nan 0.000 0.523 238 A N 1.452 124.232 122.820 -0.067 0.000 2.567 238 A HA -0.016 4.304 4.320 -0.000 0.000 0.240 238 A C 1.640 179.208 177.584 -0.027 0.000 1.053 238 A CA 0.606 52.608 52.037 -0.058 0.000 0.755 238 A CB 0.239 19.181 19.000 -0.095 0.000 0.978 238 A HN 0.264 nan 8.150 nan 0.000 0.507 239 S N 1.645 117.337 115.700 -0.013 0.000 2.383 239 S HA -0.133 4.336 4.470 -0.000 0.000 0.229 239 S C 1.026 175.636 174.600 0.016 0.000 1.030 239 S CA 1.761 59.962 58.200 0.001 0.000 1.002 239 S CB -0.229 62.973 63.200 0.002 0.000 0.829 239 S HN 0.726 nan 8.310 nan 0.000 0.467 240 K N 1.029 121.443 120.400 0.023 0.000 2.339 240 K HA 0.242 4.562 4.320 -0.000 0.000 0.264 240 K C -0.246 176.404 176.600 0.083 0.000 0.986 240 K CA -0.478 55.840 56.287 0.051 0.000 0.866 240 K CB 0.732 33.264 32.500 0.053 0.000 1.103 240 K HN 0.111 nan 8.250 nan 0.000 0.441 241 Q N 2.488 122.359 119.800 0.118 0.000 2.211 241 Q HA 0.101 4.441 4.340 -0.000 0.000 0.231 241 Q C -0.808 175.401 176.000 0.349 0.000 0.865 241 Q CA 0.063 56.001 55.803 0.226 0.000 0.997 241 Q CB 0.985 29.830 28.738 0.178 0.000 1.101 241 Q HN 0.530 nan 8.270 nan 0.000 0.468 242 Q N -0.046 119.905 119.800 0.251 0.000 2.340 242 Q HA 0.490 4.830 4.340 -0.000 0.000 0.268 242 Q C -0.918 175.215 176.000 0.222 0.000 1.031 242 Q CA -0.011 55.907 55.803 0.190 0.000 0.804 242 Q CB 2.303 31.098 28.738 0.095 0.000 1.286 242 Q HN -0.135 nan 8.270 nan 0.000 0.448 243 T N 1.963 116.641 114.554 0.207 0.000 2.886 243 T HA 0.539 4.889 4.350 -0.000 0.000 0.292 243 T C -0.699 174.073 174.700 0.120 0.000 1.012 243 T CA -0.902 61.330 62.100 0.220 0.000 0.982 243 T CB 0.888 70.005 68.868 0.416 0.000 1.018 243 T HN 0.351 nan 8.240 nan 0.000 0.451 244 N N 2.091 120.856 118.700 0.109 0.000 2.443 244 N HA 0.638 5.378 4.740 -0.000 0.000 0.295 244 N C -1.034 174.540 175.510 0.106 0.000 1.076 244 N CA -0.503 52.599 53.050 0.087 0.000 0.919 244 N CB 1.939 40.465 38.487 0.065 0.000 1.176 244 N HN 0.631 nan 8.380 nan 0.000 0.487 245 I N 0.751 121.396 120.570 0.124 0.000 2.571 245 I HA 0.254 4.424 4.170 -0.000 0.000 0.289 245 I C -1.367 174.860 176.117 0.183 0.000 1.115 245 I CA -0.680 60.709 61.300 0.148 0.000 1.045 245 I CB 1.559 39.648 38.000 0.149 0.000 1.238 245 I HN 0.259 nan 8.210 nan 0.000 0.424 246 D N 7.108 127.597 120.400 0.149 0.000 2.177 246 D HA 0.444 5.084 4.640 -0.000 0.000 0.247 246 D C -0.783 175.636 176.300 0.198 0.000 1.063 246 D CA -0.103 53.981 54.000 0.140 0.000 0.867 246 D CB 2.736 43.588 40.800 0.086 0.000 1.168 246 D HN 0.133 nan 8.370 nan 0.000 0.445 247 V N 3.078 123.137 119.914 0.243 0.000 2.531 247 V HA 0.354 4.474 4.120 -0.000 0.000 0.301 247 V C -0.222 176.048 176.094 0.294 0.000 1.034 247 V CA -0.737 61.754 62.300 0.318 0.000 0.865 247 V CB 1.679 33.792 31.823 0.484 0.000 0.995 247 V HN 0.337 nan 8.190 nan 0.000 0.424 248 I N 4.714 125.463 120.570 0.297 0.000 2.441 248 I HA 0.466 4.635 4.170 -0.000 0.000 0.295 248 I C -0.699 175.671 176.117 0.422 0.000 0.994 248 I CA -0.413 61.058 61.300 0.285 0.000 1.144 248 I CB 1.489 39.596 38.000 0.178 0.000 1.314 248 I HN 0.471 nan 8.210 nan 0.000 0.445 249 Y N 4.368 124.754 120.300 0.144 0.000 2.328 249 Y HA 0.539 5.089 4.550 -0.000 0.000 0.336 249 Y C 0.025 176.018 175.900 0.154 0.000 0.960 249 Y CA -0.571 57.634 58.100 0.175 0.000 1.134 249 Y CB 1.697 40.245 38.460 0.147 0.000 1.166 249 Y HN 0.517 nan 8.280 nan 0.000 0.464 250 E N 4.094 124.449 120.200 0.258 0.000 2.340 250 E HA 0.486 4.835 4.350 -0.000 0.000 0.273 250 E C -1.566 175.143 176.600 0.182 0.000 0.891 250 E CA -1.129 55.384 56.400 0.188 0.000 0.757 250 E CB 1.973 31.752 29.700 0.130 0.000 1.231 250 E HN 0.663 nan 8.360 nan 0.000 0.439 251 R N 3.258 123.823 120.500 0.108 0.000 2.532 251 R HA 0.453 4.793 4.340 -0.000 0.000 0.297 251 R C -1.851 174.414 176.300 -0.059 0.000 0.984 251 R CA -0.579 55.518 56.100 -0.004 0.000 0.884 251 R CB 1.692 32.017 30.300 0.042 0.000 1.182 251 R HN 0.294 nan 8.270 nan 0.000 0.442 252 V N 5.227 125.054 119.914 -0.145 0.000 2.398 252 V HA 0.493 4.613 4.120 -0.000 0.000 0.286 252 V C 0.047 176.019 176.094 -0.204 0.000 1.026 252 V CA -0.668 61.556 62.300 -0.125 0.000 0.868 252 V CB 1.490 33.240 31.823 -0.121 0.000 0.982 252 V HN 0.728 nan 8.190 nan 0.000 0.443 253 R N 2.537 122.968 120.500 -0.115 0.000 2.514 253 R HA 0.531 4.871 4.340 -0.000 0.000 0.301 253 R C -1.178 174.974 176.300 -0.246 0.000 0.962 253 R CA -0.795 55.215 56.100 -0.150 0.000 0.882 253 R CB 1.717 32.085 30.300 0.113 0.000 1.143 253 R HN 0.641 nan 8.270 nan 0.000 0.452 254 D N 0.230 120.237 120.400 -0.655 0.000 2.332 254 D HA 0.118 4.758 4.640 -0.000 0.000 0.252 254 D C -0.858 175.313 176.300 -0.215 0.000 1.050 254 D CA -0.003 53.639 54.000 -0.598 0.000 0.970 254 D CB 1.056 41.274 40.800 -0.971 0.000 1.141 254 D HN 0.277 nan 8.370 nan 0.000 0.485 255 D N 0.716 121.104 120.400 -0.020 0.000 2.453 255 D HA 0.112 4.751 4.640 -0.000 0.000 0.238 255 D C -1.577 174.986 176.300 0.438 0.000 1.088 255 D CA -0.531 53.585 54.000 0.194 0.000 0.854 255 D CB -0.006 40.722 40.800 -0.121 0.000 1.076 255 D HN 0.255 nan 8.370 nan 0.000 0.533 256 Y N 3.234 123.830 120.300 0.493 0.000 2.353 256 Y HA 0.353 4.903 4.550 -0.000 0.000 0.340 256 Y C -0.426 175.731 175.900 0.427 0.000 0.972 256 Y CA -0.417 57.959 58.100 0.460 0.000 1.157 256 Y CB 0.749 39.496 38.460 0.480 0.000 1.157 256 Y HN 0.245 nan 8.280 nan 0.000 0.495 257 Q N 6.123 125.910 119.800 -0.023 0.000 2.306 257 Q HA 0.598 4.938 4.340 -0.000 0.000 0.265 257 Q C -1.448 174.532 176.000 -0.033 0.000 1.022 257 Q CA -1.020 54.846 55.803 0.105 0.000 0.853 257 Q CB 2.819 31.654 28.738 0.162 0.000 1.327 257 Q HN 0.694 nan 8.270 nan 0.000 0.449 258 L N 2.915 124.216 121.223 0.129 0.000 2.365 258 L HA 0.556 4.896 4.340 -0.000 0.000 0.273 258 L C -0.722 176.343 176.870 0.326 0.000 1.000 258 L CA -0.860 54.026 54.840 0.077 0.000 0.819 258 L CB 1.515 43.414 42.059 -0.267 0.000 1.284 258 L HN 0.699 nan 8.230 nan 0.000 0.418 259 H N 1.602 120.873 119.070 0.335 0.000 2.954 259 H HA 0.158 4.714 4.556 -0.000 0.000 0.361 259 H C -1.881 173.628 175.328 0.302 0.000 1.122 259 H CA -0.814 55.440 56.048 0.342 0.000 1.217 259 H CB 1.384 31.245 29.762 0.165 0.000 1.776 259 H HN 0.742 nan 8.280 nan 0.000 0.533 260 W N 5.619 126.818 121.300 -0.168 0.000 2.238 260 W HA 0.185 4.844 4.660 -0.001 0.000 0.321 260 W C -0.331 175.990 176.519 -0.330 0.000 1.293 260 W CA 0.289 57.248 57.345 -0.642 0.000 1.204 260 W CB 1.317 30.221 29.460 -0.927 0.000 1.167 260 W HN 0.797 nan 8.180 nan 0.000 0.553 261 T N 1.516 115.464 114.554 -1.009 0.000 3.242 261 T HA 0.127 4.477 4.350 -0.000 0.000 0.253 261 T C 1.146 175.423 174.700 -0.705 0.000 0.946 261 T CA 0.225 61.946 62.100 -0.631 0.000 0.944 261 T CB -0.391 68.164 68.868 -0.520 0.000 1.122 261 T HN 0.824 nan 8.240 nan 0.000 0.546 262 S N -0.191 115.061 115.700 -0.748 0.000 2.675 262 S HA -0.327 4.143 4.470 -0.000 0.000 0.258 262 S C 1.234 175.691 174.600 -0.238 0.000 1.282 262 S CA 2.531 60.637 58.200 -0.157 0.000 1.471 262 S CB -2.694 60.464 63.200 -0.071 0.000 1.848 262 S HN 1.279 nan 8.310 nan 0.000 0.655 263 T N -1.903 112.126 114.554 -0.876 0.000 3.177 263 T HA 0.360 4.710 4.350 -0.000 0.000 0.262 263 T C 0.219 174.284 174.700 -1.059 0.000 0.959 263 T CA 0.451 62.186 62.100 -0.608 0.000 0.996 263 T CB -0.108 68.528 68.868 -0.386 0.000 1.185 263 T HN 1.055 nan 8.240 nan 0.000 0.486 264 N N -0.747 117.047 118.700 -1.510 0.000 2.853 264 N HA 0.282 5.022 4.740 -0.000 0.000 0.258 264 N C -1.804 173.021 175.510 -1.141 0.000 1.444 264 N CA -0.820 51.544 53.050 -1.142 0.000 0.837 264 N CB 0.814 39.001 38.487 -0.501 0.000 1.489 264 N HN 0.324 nan 8.380 nan 0.000 0.529 265 W N 0.342 121.455 121.300 -0.312 0.000 2.313 265 W HA 0.468 5.129 4.660 0.001 0.000 0.328 265 W C 0.652 177.018 176.519 -0.256 0.000 1.197 265 W CA -0.350 56.890 57.345 -0.175 0.000 1.235 265 W CB 1.057 30.528 29.460 0.019 0.000 1.158 265 W HN 0.310 nan 8.180 nan 0.000 0.578 266 K N 1.709 122.041 120.400 -0.114 0.000 2.397 266 K HA 0.627 4.947 4.320 -0.000 0.000 0.253 266 K C -0.255 176.280 176.600 -0.108 0.000 0.932 266 K CA -0.673 55.477 56.287 -0.228 0.000 0.795 266 K CB 1.368 33.609 32.500 -0.431 0.000 1.159 266 K HN 0.651 nan 8.250 nan 0.000 0.424 267 G N 1.495 110.226 108.800 -0.114 0.000 2.388 267 G HA2 0.528 4.488 3.960 -0.000 0.000 0.330 267 G HA3 0.528 4.488 3.960 -0.000 0.000 0.330 267 G C -1.010 173.842 174.900 -0.079 0.000 1.142 267 G CA -0.263 44.733 45.100 -0.173 0.000 0.908 267 G HN 0.469 nan 8.290 nan 0.000 0.473 268 T N 0.369 114.840 114.554 -0.139 0.000 2.893 268 T HA 0.490 4.840 4.350 -0.000 0.000 0.293 268 T C -0.826 173.903 174.700 0.049 0.000 1.027 268 T CA -0.625 61.541 62.100 0.110 0.000 0.988 268 T CB 1.836 70.815 68.868 0.185 0.000 1.043 268 T HN 0.581 nan 8.240 nan 0.000 0.461 269 N N 1.252 120.091 118.700 0.232 0.000 2.352 269 N HA 0.537 5.277 4.740 -0.000 0.000 0.291 269 N C -1.034 174.602 175.510 0.210 0.000 1.040 269 N CA -0.543 52.705 53.050 0.330 0.000 0.864 269 N CB 1.402 40.185 38.487 0.494 0.000 1.440 269 N HN 0.665 nan 8.380 nan 0.000 0.483 270 T N 0.070 114.708 114.554 0.139 0.000 2.779 270 T HA 0.470 4.820 4.350 -0.000 0.000 0.280 270 T C -0.249 174.424 174.700 -0.044 0.000 0.987 270 T CA -0.868 61.243 62.100 0.019 0.000 0.966 270 T CB 0.755 69.593 68.868 -0.049 0.000 0.933 270 T HN 0.329 nan 8.240 nan 0.000 0.442 271 K N 2.485 122.855 120.400 -0.050 0.000 2.295 271 K HA 0.212 4.532 4.320 -0.000 0.000 0.270 271 K C -0.245 176.246 176.600 -0.181 0.000 1.011 271 K CA -0.562 55.664 56.287 -0.102 0.000 0.953 271 K CB 0.190 32.659 32.500 -0.051 0.000 0.956 271 K HN 0.668 nan 8.250 nan 0.000 0.477 272 D N 1.616 121.882 120.400 -0.223 0.000 2.686 272 D HA -0.191 4.449 4.640 -0.000 0.000 0.235 272 D C 0.701 176.813 176.300 -0.312 0.000 1.160 272 D CA 0.729 54.594 54.000 -0.225 0.000 0.645 272 D CB -0.504 40.206 40.800 -0.150 0.000 1.039 272 D HN 0.510 nan 8.370 nan 0.000 0.423 273 K N -1.077 119.018 120.400 -0.509 0.000 2.057 273 K HA -0.095 4.225 4.320 -0.000 0.000 0.207 273 K C 0.783 176.848 176.600 -0.892 0.000 1.049 273 K CA 1.189 56.923 56.287 -0.922 0.000 0.931 273 K CB 0.184 31.634 32.500 -1.750 0.000 0.714 273 K HN 0.445 nan 8.250 nan 0.000 0.440 274 W N -0.027 121.174 121.300 -0.165 0.000 2.882 274 W HA 0.301 4.961 4.660 -0.000 0.000 0.345 274 W C -0.712 175.731 176.519 -0.127 0.000 1.125 274 W CA -0.631 56.631 57.345 -0.140 0.000 1.167 274 W CB 1.218 30.582 29.460 -0.160 0.000 1.431 274 W HN -0.313 nan 8.180 nan 0.000 0.543 275 T N 1.921 116.565 114.554 0.150 0.000 2.949 275 T HA 0.186 4.536 4.350 -0.000 0.000 0.300 275 T C -0.973 173.767 174.700 0.067 0.000 0.988 275 T CA -0.613 61.527 62.100 0.066 0.000 0.993 275 T CB 1.537 70.422 68.868 0.029 0.000 0.984 275 T HN 0.097 nan 8.240 nan 0.000 0.442 276 D N 3.093 123.525 120.400 0.053 0.000 2.329 276 D HA 0.335 4.975 4.640 -0.000 0.000 0.232 276 D C 0.056 176.396 176.300 0.067 0.000 1.088 276 D CA -0.466 53.563 54.000 0.048 0.000 0.835 276 D CB 1.664 42.486 40.800 0.036 0.000 1.078 276 D HN 0.223 nan 8.370 nan 0.000 0.495 277 R N 1.008 121.544 120.500 0.060 0.000 2.480 277 R HA 0.403 4.742 4.340 -0.000 0.000 0.306 277 R C -0.716 175.624 176.300 0.067 0.000 0.958 277 R CA -0.597 55.550 56.100 0.078 0.000 0.861 277 R CB 2.077 32.415 30.300 0.063 0.000 1.171 277 R HN 0.226 nan 8.270 nan 0.000 0.445 278 S N 1.338 117.097 115.700 0.098 0.000 2.498 278 S HA 0.362 4.832 4.470 -0.000 0.000 0.317 278 S C -0.902 173.744 174.600 0.077 0.000 1.090 278 S CA -0.340 57.894 58.200 0.056 0.000 1.089 278 S CB 1.355 64.575 63.200 0.033 0.000 0.997 278 S HN 0.502 nan 8.310 nan 0.000 0.470 279 S N 3.209 118.929 115.700 0.033 0.000 2.503 279 S HA 0.682 5.152 4.470 -0.000 0.000 0.301 279 S C -1.141 173.447 174.600 -0.021 0.000 1.087 279 S CA -0.556 57.667 58.200 0.039 0.000 1.042 279 S CB 1.435 64.656 63.200 0.035 0.000 1.043 279 S HN 0.816 nan 8.310 nan 0.000 0.489 280 E N 1.479 121.662 120.200 -0.029 0.000 2.343 280 E HA 0.453 4.803 4.350 -0.000 0.000 0.278 280 E C -1.229 175.245 176.600 -0.210 0.000 0.910 280 E CA -0.643 55.652 56.400 -0.175 0.000 0.757 280 E CB 1.452 30.980 29.700 -0.286 0.000 1.218 280 E HN 0.582 nan 8.360 nan 0.000 0.435 281 R N 3.507 123.835 120.500 -0.287 0.000 2.338 281 R HA 0.421 4.761 4.340 -0.000 0.000 0.317 281 R C -1.461 174.628 176.300 -0.352 0.000 0.968 281 R CA -0.361 55.622 56.100 -0.195 0.000 0.849 281 R CB 0.600 30.846 30.300 -0.091 0.000 1.128 281 R HN 0.477 nan 8.270 nan 0.000 0.448 282 Y N 2.318 122.614 120.300 -0.006 0.000 2.446 282 Y HA 0.326 4.875 4.550 -0.000 0.000 0.338 282 Y C -0.025 175.847 175.900 -0.046 0.000 1.055 282 Y CA -0.641 57.438 58.100 -0.035 0.000 1.101 282 Y CB 1.831 40.261 38.460 -0.050 0.000 1.221 282 Y HN 0.410 nan 8.280 nan 0.000 0.460 283 K N 3.968 124.416 120.400 0.080 0.000 2.265 283 K HA 0.573 4.893 4.320 -0.000 0.000 0.267 283 K C -1.448 175.125 176.600 -0.045 0.000 0.994 283 K CA -0.280 56.016 56.287 0.016 0.000 0.860 283 K CB 0.531 33.030 32.500 -0.002 0.000 1.099 283 K HN 0.694 nan 8.250 nan 0.000 0.448 284 I N 3.178 123.699 120.570 -0.081 0.000 2.359 284 I HA 0.159 4.329 4.170 -0.000 0.000 0.294 284 I C -0.415 175.563 176.117 -0.230 0.000 0.987 284 I CA -0.609 60.560 61.300 -0.218 0.000 1.225 284 I CB 1.495 39.272 38.000 -0.372 0.000 1.366 284 I HN 0.594 nan 8.210 nan 0.000 0.466 285 D N 5.906 126.145 120.400 -0.269 0.000 2.454 285 D HA 0.166 4.806 4.640 -0.000 0.000 0.247 285 D C 0.232 176.340 176.300 -0.320 0.000 1.129 285 D CA -0.526 53.350 54.000 -0.206 0.000 0.877 285 D CB 0.765 41.473 40.800 -0.153 0.000 1.082 285 D HN 0.393 nan 8.370 nan 0.000 0.537 286 W N 2.370 123.664 121.300 -0.008 0.000 2.525 286 W HA 0.027 4.686 4.660 -0.000 0.000 0.259 286 W C 1.836 178.285 176.519 -0.116 0.000 1.253 286 W CA 0.107 57.444 57.345 -0.013 0.000 1.262 286 W CB 0.285 29.797 29.460 0.087 0.000 1.122 286 W HN 0.469 nan 8.180 nan 0.000 0.607 287 E N 0.380 120.618 120.200 0.063 0.000 2.057 287 E HA -0.070 4.280 4.350 -0.000 0.000 0.190 287 E C 1.851 178.395 176.600 -0.094 0.000 0.969 287 E CA 0.769 57.174 56.400 0.008 0.000 0.812 287 E CB -0.164 29.551 29.700 0.025 0.000 0.777 287 E HN 0.182 nan 8.360 nan 0.000 0.455 288 K N 0.802 121.115 120.400 -0.144 0.000 2.432 288 K HA -0.018 4.302 4.320 -0.000 0.000 0.196 288 K C -0.257 176.149 176.600 -0.323 0.000 1.038 288 K CA 0.319 56.503 56.287 -0.173 0.000 0.986 288 K CB 0.145 32.565 32.500 -0.133 0.000 0.782 288 K HN 0.088 nan 8.250 nan 0.000 0.485 289 E N 1.455 121.301 120.200 -0.591 0.000 2.230 289 E HA -0.211 4.138 4.350 -0.000 0.000 0.206 289 E C -0.999 174.923 176.600 -1.131 0.000 1.309 289 E CA 0.699 56.309 56.400 -1.315 0.000 0.697 289 E CB -1.236 28.027 29.700 -0.727 0.000 1.146 289 E HN 0.564 nan 8.360 nan 0.000 0.363 290 E N -0.184 119.539 120.200 -0.795 0.000 2.408 290 E HA 0.692 5.042 4.350 -0.000 0.000 0.275 290 E C -0.594 175.879 176.600 -0.211 0.000 0.935 290 E CA -1.045 55.228 56.400 -0.212 0.000 0.775 290 E CB 1.933 31.574 29.700 -0.099 0.000 1.277 290 E HN 0.091 nan 8.360 nan 0.000 0.455 291 M N 2.127 121.488 119.600 -0.399 0.000 2.326 291 M HA 0.413 4.893 4.480 -0.000 0.000 0.306 291 M C -1.493 174.706 176.300 -0.168 0.000 1.054 291 M CA -0.208 54.805 55.300 -0.478 0.000 0.922 291 M CB 2.264 34.169 32.600 -1.158 0.000 1.632 291 M HN 0.901 nan 8.290 nan 0.000 0.436 292 T N 0.868 115.405 114.554 -0.027 0.000 2.901 292 T HA 0.766 5.116 4.350 -0.000 0.000 0.293 292 T C -0.998 173.764 174.700 0.102 0.000 1.084 292 T CA -0.880 61.256 62.100 0.059 0.000 1.008 292 T CB 1.871 70.751 68.868 0.020 0.000 1.170 292 T HN 0.786 nan 8.240 nan 0.000 0.509 293 N N 0.000 118.739 118.700 0.065 0.000 1.763 293 N HA 0.000 4.740 4.740 -0.000 0.000 0.220 293 N CA 0.000 53.008 53.050 -0.070 0.000 0.885 293 N CB 0.000 38.360 38.487 -0.212 0.000 1.341 293 N HN 0.000 nan 8.380 nan 0.000 0.667