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 1mqf_1_A DATA FIRST_RESID 4 DATA SEQUENCE KKLTTAAGAP VVDNNNVITA GPRGPMLLQD VWFLEKLAHF DREVIPERRX DATA SEQUENCE HAKGSGAFGT FTVTHDITKY TRAKIFSEVG KKTEMFARFS TVAGERGAAD DATA SEQUENCE AERDIRGFAL KFYTEEGNWD MVGNNTPVFY LRDPLKFPDL NHIVKRDPRT DATA SEQUENCE NMRNMAYKWD FFSHLPESLH QLTIDMSDRG LPLSYRFVHG FGSHTYSFIN DATA SEQUENCE KDNERFWVKF HFRCQQGIKN LMDDEAEALV GKDRESSQRD LFEAIERGDY DATA SEQUENCE PRWKLQIQIM PEKEASTVPY NPFDLTKVWP HADYPLMDVG YFELNRNPDN DATA SEQUENCE YFSDVEQAAF SPANIVPGIS FSPDKMLQGR LFSYGDAHRY RLGVNHHQIP DATA SEQUENCE VNAPKCPFHN YHRDGAMRVD GNSGNGITYE PNSGGVFQEQ PDFKEPPLSI DATA SEQUENCE EGAADHWNHR EDEDYFSQPR ALYELLSDDE HQRMFARIAG ELSQASKETQ DATA SEQUENCE QRQIDLFTKV HPEYGAGVEK AIKVLE 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 4 K HA 0.000 nan 4.320 nan 0.000 0.191 4 K C 0.000 176.582 176.600 -0.030 0.000 0.988 4 K CA 0.000 56.276 56.287 -0.019 0.000 0.838 4 K CB 0.000 32.490 32.500 -0.016 0.000 1.064 5 K N 1.743 122.119 120.400 -0.040 0.000 2.213 5 K HA 0.330 4.649 4.320 -0.001 0.000 0.270 5 K C -0.411 176.141 176.600 -0.081 0.000 1.002 5 K CA -0.782 55.470 56.287 -0.059 0.000 0.868 5 K CB 1.574 34.038 32.500 -0.059 0.000 1.093 5 K HN -0.144 nan 8.250 nan 0.000 0.454 6 L N 3.641 124.798 121.223 -0.111 0.000 2.513 6 L HA 0.052 4.391 4.340 -0.001 0.000 0.272 6 L C 0.069 176.798 176.870 -0.235 0.000 1.187 6 L CA 1.025 55.764 54.840 -0.168 0.000 0.895 6 L CB 0.182 42.113 42.059 -0.214 0.000 1.147 6 L HN 0.817 nan 8.230 nan 0.000 0.483 7 T N 0.429 114.859 114.554 -0.207 0.000 2.910 7 T HA 0.752 5.101 4.350 -0.001 0.000 0.287 7 T C 0.208 174.787 174.700 -0.202 0.000 1.050 7 T CA -0.178 61.802 62.100 -0.199 0.000 1.011 7 T CB 1.280 70.088 68.868 -0.100 0.000 1.195 7 T HN 0.703 nan 8.240 nan 0.000 0.540 8 T N -1.544 112.942 114.554 -0.114 0.000 2.810 8 T HA 0.599 4.949 4.350 -0.001 0.000 0.277 8 T C 1.750 176.490 174.700 0.067 0.000 0.973 8 T CA -0.342 61.795 62.100 0.061 0.000 0.949 8 T CB 0.324 69.259 68.868 0.113 0.000 1.075 8 T HN 0.960 nan 8.240 nan 0.000 0.537 9 A N -0.021 122.858 122.820 0.098 0.000 2.067 9 A HA 0.346 4.665 4.320 -0.001 0.000 0.219 9 A C 2.290 179.906 177.584 0.053 0.000 1.158 9 A CA 1.167 53.236 52.037 0.053 0.000 0.661 9 A CB -1.215 17.818 19.000 0.056 0.000 0.801 9 A HN 1.169 nan 8.150 nan 0.000 0.452 10 A N -1.882 120.973 122.820 0.059 0.000 2.307 10 A HA 0.449 4.768 4.320 -0.001 0.000 0.218 10 A C 1.614 179.212 177.584 0.022 0.000 1.228 10 A CA 1.004 53.066 52.037 0.043 0.000 0.857 10 A CB -0.751 18.279 19.000 0.050 0.000 0.897 10 A HN 1.767 nan 8.150 nan 0.000 0.495 11 G N -1.808 106.999 108.800 0.012 0.000 2.141 11 G HA2 0.094 4.053 3.960 -0.001 0.000 0.242 11 G HA3 0.094 4.053 3.960 -0.001 0.000 0.242 11 G C 0.352 175.239 174.900 -0.023 0.000 0.982 11 G CA 0.265 45.360 45.100 -0.008 0.000 0.662 11 G HN 1.581 nan 8.290 nan 0.000 0.527 12 A N 0.321 123.127 122.820 -0.023 0.000 2.310 12 A HA 0.785 5.105 4.320 -0.001 0.000 0.299 12 A C -1.812 175.720 177.584 -0.087 0.000 1.147 12 A CA -1.350 50.664 52.037 -0.037 0.000 0.818 12 A CB 0.768 19.761 19.000 -0.012 0.000 1.096 12 A HN 0.119 nan 8.150 nan 0.000 0.495 13 P HA 0.180 nan 4.420 nan 0.000 0.266 13 P C -0.723 176.454 177.300 -0.205 0.000 1.195 13 P CA 0.081 63.097 63.100 -0.139 0.000 0.768 13 P CB 0.658 32.299 31.700 -0.098 0.000 0.838 14 V N 4.972 124.693 119.914 -0.323 0.000 2.383 14 V HA 0.022 4.142 4.120 -0.001 0.000 0.275 14 V C 1.482 177.394 176.094 -0.302 0.000 1.036 14 V CA -0.015 61.999 62.300 -0.477 0.000 0.889 14 V CB 1.343 32.580 31.823 -0.975 0.000 0.985 14 V HN 0.391 nan 8.190 nan 0.000 0.459 15 V N 2.638 122.429 119.914 -0.204 0.000 2.283 15 V HA 0.001 4.120 4.120 -0.001 0.000 0.243 15 V C 0.747 176.785 176.094 -0.094 0.000 1.039 15 V CA 1.602 63.834 62.300 -0.114 0.000 1.016 15 V CB -0.050 31.738 31.823 -0.058 0.000 0.650 15 V HN 0.923 nan 8.190 nan 0.000 0.449 16 D N -1.065 119.291 120.400 -0.073 0.000 2.542 16 D HA 0.219 4.858 4.640 -0.001 0.000 0.252 16 D C -0.202 176.131 176.300 0.055 0.000 1.222 16 D CA -0.300 53.695 54.000 -0.008 0.000 0.895 16 D CB 1.356 42.175 40.800 0.031 0.000 1.207 16 D HN 0.063 nan 8.370 nan 0.000 0.558 17 N N 2.769 121.502 118.700 0.055 0.000 2.236 17 N HA 0.130 4.869 4.740 -0.001 0.000 0.196 17 N C 0.283 175.902 175.510 0.182 0.000 1.114 17 N CA 0.219 53.394 53.050 0.208 0.000 0.859 17 N CB 0.341 38.909 38.487 0.135 0.000 0.982 17 N HN 0.279 nan 8.380 nan 0.000 0.493 18 N N -0.937 117.829 118.700 0.111 0.000 2.257 18 N HA 0.128 4.868 4.740 -0.001 0.000 0.200 18 N C -0.900 174.650 175.510 0.067 0.000 1.163 18 N CA 0.119 53.215 53.050 0.078 0.000 0.891 18 N CB 0.511 39.025 38.487 0.044 0.000 1.067 18 N HN 0.140 nan 8.380 nan 0.000 0.497 19 N N 1.350 120.095 118.700 0.074 0.000 2.352 19 N HA 0.204 4.943 4.740 -0.001 0.000 0.291 19 N C -0.156 175.393 175.510 0.065 0.000 1.040 19 N CA -0.313 52.768 53.050 0.051 0.000 0.864 19 N CB 3.195 41.700 38.487 0.029 0.000 1.440 19 N HN -0.192 nan 8.380 nan 0.000 0.483 20 V N -0.432 119.500 119.914 0.031 0.000 3.214 20 V HA 0.512 4.632 4.120 -0.001 0.000 0.306 20 V C 0.715 176.802 176.094 -0.012 0.000 1.078 20 V CA -0.714 61.588 62.300 0.004 0.000 1.077 20 V CB 0.564 32.310 31.823 -0.128 0.000 1.121 20 V HN 0.461 nan 8.190 nan 0.000 0.468 21 I N 2.790 123.350 120.570 -0.017 0.000 2.352 21 I HA 0.423 4.592 4.170 -0.001 0.000 0.290 21 I C 0.562 176.651 176.117 -0.047 0.000 1.036 21 I CA 0.215 61.506 61.300 -0.014 0.000 1.336 21 I CB 1.031 39.037 38.000 0.010 0.000 1.407 21 I HN 1.010 nan 8.210 nan 0.000 0.497 22 T N 2.339 116.871 114.554 -0.037 0.000 2.916 22 T HA 0.669 5.018 4.350 -0.001 0.000 0.292 22 T C -0.148 174.535 174.700 -0.027 0.000 1.064 22 T CA -1.019 61.055 62.100 -0.043 0.000 1.011 22 T CB 1.974 70.814 68.868 -0.046 0.000 1.152 22 T HN 0.550 nan 8.240 nan 0.000 0.510 23 A N 1.240 124.044 122.820 -0.027 0.000 3.004 23 A HA 0.695 5.015 4.320 -0.001 0.000 0.286 23 A C 1.166 178.741 177.584 -0.016 0.000 1.632 23 A CA 0.187 52.213 52.037 -0.018 0.000 1.339 23 A CB -1.630 17.360 19.000 -0.017 0.000 1.136 23 A HN 2.137 nan 8.150 nan 0.000 0.577 24 G N 2.592 111.384 108.800 -0.014 0.000 2.699 24 G HA2 -0.088 3.872 3.960 -0.001 0.000 0.686 24 G HA3 -0.088 3.872 3.960 -0.001 0.000 0.686 24 G C -1.267 173.625 174.900 -0.014 0.000 1.301 24 G CA -0.303 44.790 45.100 -0.012 0.000 0.816 24 G HN 0.359 nan 8.290 nan 0.000 0.595 25 P HA -0.129 nan 4.420 nan 0.000 0.216 25 P C 1.060 178.351 177.300 -0.015 0.000 1.150 25 P CA 1.401 64.494 63.100 -0.012 0.000 0.843 25 P CB 0.097 31.792 31.700 -0.008 0.000 0.787 26 R N -0.183 120.308 120.500 -0.014 0.000 2.700 26 R HA 0.378 4.718 4.340 -0.001 0.000 0.377 26 R C 0.888 177.177 176.300 -0.018 0.000 1.130 26 R CA -0.276 55.815 56.100 -0.016 0.000 1.055 26 R CB 0.835 31.128 30.300 -0.012 0.000 1.387 26 R HN 0.153 nan 8.270 nan 0.000 0.580 27 G N 1.465 110.252 108.800 -0.021 0.000 2.521 27 G HA2 0.441 4.400 3.960 -0.001 0.000 0.323 27 G HA3 0.441 4.400 3.960 -0.001 0.000 0.323 27 G C -2.383 172.497 174.900 -0.033 0.000 1.211 27 G CA -1.127 43.959 45.100 -0.024 0.000 0.979 27 G HN -0.086 nan 8.290 nan 0.000 0.490 28 P HA 0.184 nan 4.420 nan 0.000 0.274 28 P C -0.114 177.149 177.300 -0.062 0.000 1.237 28 P CA -0.270 62.802 63.100 -0.046 0.000 0.793 28 P CB 0.936 32.615 31.700 -0.035 0.000 0.977 29 M N 0.994 120.538 119.600 -0.093 0.000 2.248 29 M HA 0.153 4.633 4.480 -0.001 0.000 0.337 29 M C 0.305 176.549 176.300 -0.092 0.000 1.121 29 M CA 0.193 55.415 55.300 -0.130 0.000 1.155 29 M CB 0.025 32.482 32.600 -0.237 0.000 1.514 29 M HN 0.195 nan 8.290 nan 0.000 0.452 30 L N 2.649 123.825 121.223 -0.079 0.000 2.322 30 L HA 0.211 4.550 4.340 -0.001 0.000 0.279 30 L C 0.860 177.719 176.870 -0.019 0.000 1.036 30 L CA -0.630 54.188 54.840 -0.036 0.000 0.807 30 L CB 1.369 43.418 42.059 -0.016 0.000 1.226 30 L HN 0.704 nan 8.230 nan 0.000 0.433 31 L N 2.410 123.639 121.223 0.010 0.000 2.201 31 L HA -0.184 4.155 4.340 -0.001 0.000 0.212 31 L C 2.415 179.325 176.870 0.067 0.000 1.105 31 L CA 1.584 56.451 54.840 0.045 0.000 0.775 31 L CB -0.466 41.618 42.059 0.041 0.000 0.913 31 L HN 0.802 nan 8.230 nan 0.000 0.440 32 Q N -1.323 118.508 119.800 0.051 0.000 2.541 32 Q HA -0.153 4.186 4.340 -0.001 0.000 0.215 32 Q C 0.135 176.186 176.000 0.086 0.000 0.977 32 Q CA 0.598 56.438 55.803 0.061 0.000 0.934 32 Q CB -0.640 28.124 28.738 0.044 0.000 0.988 32 Q HN 0.360 nan 8.270 nan 0.000 0.521 33 D N 1.843 122.305 120.400 0.102 0.000 2.508 33 D HA 0.013 4.653 4.640 -0.001 0.000 0.224 33 D C 1.214 177.641 176.300 0.213 0.000 1.171 33 D CA -0.193 53.899 54.000 0.152 0.000 1.006 33 D CB 1.142 42.020 40.800 0.130 0.000 1.073 33 D HN 0.203 nan 8.370 nan 0.000 0.513 34 V N 2.338 122.363 119.914 0.186 0.000 2.759 34 V HA -0.081 4.039 4.120 -0.001 0.000 0.256 34 V C 2.052 178.280 176.094 0.224 0.000 1.080 34 V CA 0.674 63.081 62.300 0.177 0.000 1.101 34 V CB -0.908 31.001 31.823 0.143 0.000 0.698 34 V HN 0.594 nan 8.190 nan 0.000 0.477 35 W N 0.438 121.790 121.300 0.087 0.000 2.418 35 W HA -0.170 4.490 4.660 -0.000 0.000 0.292 35 W C 2.261 178.824 176.519 0.073 0.000 1.213 35 W CA 1.277 58.660 57.345 0.063 0.000 1.283 35 W CB -0.255 29.236 29.460 0.052 0.000 1.119 35 W HN 0.395 nan 8.180 nan 0.000 0.542 36 F N 1.879 121.761 119.950 -0.114 0.000 2.095 36 F HA -0.252 4.275 4.527 -0.001 0.000 0.298 36 F C 2.232 177.909 175.800 -0.205 0.000 1.104 36 F CA 2.349 60.221 58.000 -0.212 0.000 1.232 36 F CB -0.942 38.019 39.000 -0.064 0.000 0.987 36 F HN -0.235 nan 8.300 nan 0.000 0.475 37 L N 0.133 121.229 121.223 -0.212 0.000 2.046 37 L HA -0.220 4.119 4.340 -0.001 0.000 0.208 37 L C 2.594 179.308 176.870 -0.260 0.000 1.077 37 L CA 2.036 56.734 54.840 -0.237 0.000 0.747 37 L CB -0.932 41.134 42.059 0.012 0.000 0.896 37 L HN 0.299 nan 8.230 nan 0.000 0.432 38 E N 0.602 120.684 120.200 -0.196 0.000 2.047 38 E HA -0.269 4.081 4.350 -0.001 0.000 0.191 38 E C 2.269 178.702 176.600 -0.279 0.000 0.987 38 E CA 1.241 57.569 56.400 -0.121 0.000 0.799 38 E CB 0.090 29.787 29.700 -0.006 0.000 0.752 38 E HN 0.272 nan 8.360 nan 0.000 0.449 39 K N 0.109 120.063 120.400 -0.744 0.000 2.026 39 K HA -0.133 4.187 4.320 -0.001 0.000 0.208 39 K C 2.147 178.502 176.600 -0.408 0.000 1.048 39 K CA 1.032 56.836 56.287 -0.804 0.000 0.929 39 K CB 0.019 31.773 32.500 -1.243 0.000 0.713 39 K HN 0.183 nan 8.250 nan 0.000 0.439 40 L N 0.384 121.315 121.223 -0.486 0.000 2.217 40 L HA -0.034 4.306 4.340 -0.001 0.000 0.211 40 L C 2.448 179.254 176.870 -0.107 0.000 1.107 40 L CA 1.457 56.123 54.840 -0.291 0.000 0.783 40 L CB -1.142 40.561 42.059 -0.593 0.000 0.919 40 L HN 0.260 nan 8.230 nan 0.000 0.442 41 A N -1.345 121.376 122.820 -0.165 0.000 1.929 41 A HA -0.188 4.131 4.320 -0.001 0.000 0.216 41 A C 2.100 179.614 177.584 -0.116 0.000 1.176 41 A CA 0.979 52.939 52.037 -0.130 0.000 0.628 41 A CB -0.602 18.313 19.000 -0.142 0.000 0.816 41 A HN 0.424 nan 8.150 nan 0.000 0.444 42 H N -2.392 116.609 119.070 -0.114 0.000 2.395 42 H HA -0.074 4.482 4.556 -0.001 0.000 0.299 42 H C 1.945 177.235 175.328 -0.064 0.000 1.070 42 H CA 1.668 57.665 56.048 -0.086 0.000 1.356 42 H CB -0.222 29.491 29.762 -0.081 0.000 1.401 42 H HN 0.617 nan 8.280 nan 0.000 0.524 43 F N 2.502 122.418 119.950 -0.057 0.000 2.134 43 F HA -0.158 4.368 4.527 -0.001 0.000 0.299 43 F C 1.655 177.399 175.800 -0.094 0.000 1.097 43 F CA 1.203 59.147 58.000 -0.094 0.000 1.264 43 F CB -0.186 38.736 39.000 -0.130 0.000 1.001 43 F HN -0.059 nan 8.300 nan 0.000 0.479 44 D N 0.287 120.480 120.400 -0.346 0.000 2.350 44 D HA -0.075 4.565 4.640 -0.001 0.000 0.216 44 D C 1.375 177.490 176.300 -0.307 0.000 0.968 44 D CA 0.876 54.634 54.000 -0.403 0.000 0.894 44 D CB -0.216 40.468 40.800 -0.193 0.000 0.909 44 D HN 0.424 nan 8.370 nan 0.000 0.520 45 R N 0.177 120.530 120.500 -0.243 0.000 2.652 45 R HA 0.197 4.536 4.340 -0.001 0.000 0.372 45 R C 1.058 177.255 176.300 -0.171 0.000 1.104 45 R CA -0.094 55.896 56.100 -0.184 0.000 1.072 45 R CB 0.576 30.779 30.300 -0.161 0.000 1.367 45 R HN 0.133 nan 8.270 nan 0.000 0.577 46 E N 0.474 120.539 120.200 -0.223 0.000 2.152 46 E HA -0.029 4.321 4.350 -0.001 0.000 0.192 46 E C 0.266 176.732 176.600 -0.223 0.000 0.983 46 E CA 0.718 56.975 56.400 -0.239 0.000 0.818 46 E CB 0.397 29.953 29.700 -0.239 0.000 0.758 46 E HN -0.006 nan 8.360 nan 0.000 0.467 47 V N 3.292 123.117 119.914 -0.148 0.000 2.498 47 V HA 0.169 4.289 4.120 -0.001 0.000 0.279 47 V C 0.317 176.416 176.094 0.007 0.000 1.048 47 V CA -0.262 62.010 62.300 -0.047 0.000 0.967 47 V CB 0.616 32.406 31.823 -0.055 0.000 0.988 47 V HN 0.125 nan 8.190 nan 0.000 0.473 48 I N 3.024 123.654 120.570 0.100 0.000 2.863 48 I HA 0.744 4.914 4.170 -0.001 0.000 0.311 48 I C -2.619 173.522 176.117 0.041 0.000 1.026 48 I CA -2.835 58.505 61.300 0.066 0.000 1.077 48 I CB 1.708 39.785 38.000 0.129 0.000 1.262 48 I HN 0.348 nan 8.210 nan 0.000 0.461 49 P HA 0.123 nan 4.420 nan 0.000 0.271 49 P C -1.004 176.329 177.300 0.055 0.000 1.216 49 P CA -0.196 62.919 63.100 0.025 0.000 0.776 49 P CB 0.465 32.174 31.700 0.015 0.000 0.881 50 E N 2.459 122.707 120.200 0.080 0.000 2.391 50 E HA 0.193 4.542 4.350 -0.001 0.000 0.255 50 E C -0.458 176.197 176.600 0.092 0.000 1.187 50 E CA -0.801 55.653 56.400 0.090 0.000 0.941 50 E CB 0.538 30.296 29.700 0.097 0.000 1.010 50 E HN 0.247 nan 8.360 nan 0.000 0.458 51 R N 0.896 121.452 120.500 0.093 0.000 2.570 51 R HA 0.075 4.414 4.340 -0.001 0.000 0.277 51 R C 0.406 176.766 176.300 0.100 0.000 1.039 51 R CA -0.392 55.763 56.100 0.093 0.000 1.065 51 R CB 0.388 30.751 30.300 0.104 0.000 0.964 51 R HN 0.422 nan 8.270 nan 0.000 0.428 55 A N 0.838 123.769 122.820 0.185 0.000 1.972 55 A HA -0.113 4.207 4.320 -0.001 0.000 0.219 55 A C 1.425 179.108 177.584 0.166 0.000 1.169 55 A CA 1.268 53.398 52.037 0.154 0.000 0.635 55 A CB 0.011 19.085 19.000 0.124 0.000 0.810 55 A HN 0.108 nan 8.150 nan 0.000 0.446 56 K N 0.138 120.640 120.400 0.170 0.000 2.248 56 K HA 0.529 4.849 4.320 -0.001 0.000 0.281 56 K C -0.062 176.678 176.600 0.234 0.000 1.054 56 K CA 0.646 57.047 56.287 0.192 0.000 0.903 56 K CB 0.673 33.272 32.500 0.165 0.000 1.077 56 K HN 0.328 nan 8.250 nan 0.000 0.474 57 G N 0.895 109.856 108.800 0.269 0.000 2.608 57 G HA2 0.550 4.510 3.960 -0.001 0.000 0.291 57 G HA3 0.550 4.510 3.960 -0.001 0.000 0.291 57 G C -1.483 173.615 174.900 0.331 0.000 1.425 57 G CA -0.734 44.515 45.100 0.249 0.000 0.787 57 G HN 0.487 nan 8.290 nan 0.000 0.484 58 S N -1.722 114.102 115.700 0.207 0.000 2.569 58 S HA 0.904 5.374 4.470 -0.001 0.000 0.280 58 S C -0.057 174.512 174.600 -0.051 0.000 1.111 58 S CA -0.191 58.171 58.200 0.270 0.000 0.887 58 S CB 2.012 65.487 63.200 0.459 0.000 1.095 58 S HN 1.403 nan 8.310 nan 0.000 0.476 59 G N 0.019 108.803 108.800 -0.027 0.000 2.642 59 G HA2 0.866 4.825 3.960 -0.001 0.000 0.293 59 G HA3 0.866 4.825 3.960 -0.001 0.000 0.293 59 G C -1.595 173.171 174.900 -0.223 0.000 1.341 59 G CA -0.599 44.282 45.100 -0.365 0.000 0.916 59 G HN 1.062 nan 8.290 nan 0.000 0.474 60 A N -0.463 122.032 122.820 -0.542 0.000 2.605 60 A HA 0.738 5.058 4.320 -0.001 0.000 0.294 60 A C -1.750 175.643 177.584 -0.319 0.000 1.062 60 A CA -0.712 51.195 52.037 -0.218 0.000 0.682 60 A CB 0.889 19.849 19.000 -0.068 0.000 1.278 60 A HN 0.618 nan 8.150 nan 0.000 0.410 61 F N 0.656 120.661 119.950 0.092 0.000 2.399 61 F HA 0.731 5.258 4.527 -0.001 0.000 0.328 61 F C 1.172 176.984 175.800 0.020 0.000 1.084 61 F CA 1.077 59.148 58.000 0.119 0.000 1.053 61 F CB 2.295 41.375 39.000 0.134 0.000 1.209 61 F HN 0.954 nan 8.300 nan 0.000 0.502 62 G N 0.110 109.051 108.800 0.236 0.000 2.650 62 G HA2 0.595 4.555 3.960 -0.001 0.000 0.310 62 G HA3 0.595 4.555 3.960 -0.001 0.000 0.310 62 G C -1.717 173.298 174.900 0.192 0.000 1.270 62 G CA -0.746 44.457 45.100 0.172 0.000 0.810 62 G HN 0.495 nan 8.290 nan 0.000 0.493 63 T N 0.210 114.900 114.554 0.226 0.000 2.916 63 T HA 0.540 4.890 4.350 -0.001 0.000 0.298 63 T C -1.663 173.231 174.700 0.324 0.000 1.031 63 T CA -0.223 62.018 62.100 0.234 0.000 0.993 63 T CB 1.911 70.866 68.868 0.144 0.000 1.045 63 T HN 0.499 nan 8.240 nan 0.000 0.454 64 F N 2.434 122.514 119.950 0.217 0.000 2.421 64 F HA 0.652 5.178 4.527 -0.001 0.000 0.337 64 F C -0.192 175.633 175.800 0.042 0.000 1.105 64 F CA -0.206 57.939 58.000 0.241 0.000 1.049 64 F CB 1.330 40.583 39.000 0.422 0.000 1.139 64 F HN 0.461 nan 8.300 nan 0.000 0.479 65 T N 5.389 119.369 114.554 -0.957 0.000 2.881 65 T HA 0.452 4.801 4.350 -0.001 0.000 0.290 65 T C -0.947 173.251 174.700 -0.838 0.000 1.000 65 T CA -0.623 61.032 62.100 -0.741 0.000 0.978 65 T CB 1.548 69.968 68.868 -0.746 0.000 0.997 65 T HN 0.357 nan 8.240 nan 0.000 0.443 66 V N 3.598 123.323 119.914 -0.316 0.000 2.530 66 V HA 0.321 4.441 4.120 -0.001 0.000 0.282 66 V C 1.516 177.604 176.094 -0.010 0.000 1.048 66 V CA -0.079 62.193 62.300 -0.047 0.000 0.997 66 V CB 1.010 32.939 31.823 0.177 0.000 0.987 66 V HN 1.187 nan 8.190 nan 0.000 0.477 67 T N 0.198 114.797 114.554 0.074 0.000 2.955 67 T HA 0.257 4.606 4.350 -0.001 0.000 0.251 67 T C 0.378 174.973 174.700 -0.176 0.000 1.002 67 T CA 0.144 62.262 62.100 0.030 0.000 0.970 67 T CB 0.089 69.061 68.868 0.173 0.000 1.091 67 T HN 0.653 nan 8.240 nan 0.000 0.495 68 H N 0.445 119.563 119.070 0.080 0.000 2.821 68 H HA 0.590 5.146 4.556 -0.001 0.000 0.373 68 H C -1.358 174.001 175.328 0.053 0.000 1.165 68 H CA -0.913 55.172 56.048 0.061 0.000 1.154 68 H CB 1.462 31.259 29.762 0.059 0.000 1.765 68 H HN 0.016 nan 8.280 nan 0.000 0.549 69 D N 2.366 122.846 120.400 0.133 0.000 2.339 69 D HA 0.104 4.744 4.640 -0.001 0.000 0.241 69 D C 0.380 176.696 176.300 0.027 0.000 1.183 69 D CA -0.096 53.941 54.000 0.062 0.000 0.859 69 D CB 0.557 41.369 40.800 0.020 0.000 1.067 69 D HN 0.646 nan 8.370 nan 0.000 0.484 70 I N 0.900 121.470 120.570 -0.001 0.000 3.833 70 I HA 0.132 4.302 4.170 -0.001 0.000 0.328 70 I C 1.561 177.599 176.117 -0.131 0.000 1.554 70 I CA -0.493 60.780 61.300 -0.045 0.000 1.116 70 I CB 0.368 38.376 38.000 0.013 0.000 1.182 70 I HN 0.103 nan 8.210 nan 0.000 0.459 71 T N -0.833 113.654 114.554 -0.112 0.000 2.977 71 T HA -0.158 4.192 4.350 -0.001 0.000 0.271 71 T C 1.653 176.250 174.700 -0.171 0.000 1.105 71 T CA 1.580 63.615 62.100 -0.108 0.000 1.116 71 T CB -0.412 68.422 68.868 -0.056 0.000 0.878 71 T HN 0.725 nan 8.240 nan 0.000 0.509 72 K N -0.355 119.861 120.400 -0.307 0.000 2.288 72 K HA -0.042 4.278 4.320 -0.001 0.000 0.201 72 K C 1.335 177.657 176.600 -0.464 0.000 1.048 72 K CA 0.943 56.993 56.287 -0.394 0.000 0.956 72 K CB -0.340 31.831 32.500 -0.549 0.000 0.746 72 K HN 0.402 nan 8.250 nan 0.000 0.461 73 Y N 0.818 120.924 120.300 -0.323 0.000 2.522 73 Y HA 0.215 4.764 4.550 -0.001 0.000 0.277 73 Y C 0.741 176.499 175.900 -0.237 0.000 1.104 73 Y CA 0.024 57.819 58.100 -0.508 0.000 1.260 73 Y CB 0.626 38.823 38.460 -0.439 0.000 1.151 73 Y HN 0.011 nan 8.280 nan 0.000 0.539 74 T N 0.385 114.823 114.554 -0.192 0.000 2.912 74 T HA 0.365 4.715 4.350 -0.001 0.000 0.299 74 T C 0.388 174.997 174.700 -0.152 0.000 1.052 74 T CA -0.841 61.076 62.100 -0.305 0.000 0.996 74 T CB 1.206 69.507 68.868 -0.945 0.000 1.070 74 T HN 0.359 nan 8.240 nan 0.000 0.465 75 R N 2.594 123.039 120.500 -0.092 0.000 2.317 75 R HA 0.547 4.886 4.340 -0.001 0.000 0.208 75 R C 0.827 177.100 176.300 -0.045 0.000 0.914 75 R CA -0.161 55.915 56.100 -0.041 0.000 1.060 75 R CB -0.103 30.195 30.300 -0.003 0.000 1.015 75 R HN 0.483 nan 8.270 nan 0.000 0.498 76 A N 2.407 125.164 122.820 -0.104 0.000 2.561 76 A HA 0.032 4.351 4.320 -0.001 0.000 0.251 76 A C 0.697 178.180 177.584 -0.169 0.000 1.062 76 A CA -0.192 51.740 52.037 -0.175 0.000 0.761 76 A CB 0.338 19.148 19.000 -0.316 0.000 0.986 76 A HN 0.200 nan 8.150 nan 0.000 0.510 77 K N 2.490 122.803 120.400 -0.144 0.000 2.281 77 K HA -0.168 4.151 4.320 -0.001 0.000 0.203 77 K C 1.519 178.028 176.600 -0.151 0.000 1.046 77 K CA 1.387 57.614 56.287 -0.100 0.000 0.938 77 K CB -0.326 32.143 32.500 -0.051 0.000 0.737 77 K HN 0.888 nan 8.250 nan 0.000 0.458 78 I N -0.177 120.183 120.570 -0.350 0.000 2.614 78 I HA -0.197 3.972 4.170 -0.001 0.000 0.258 78 I C 0.569 176.480 176.117 -0.344 0.000 1.189 78 I CA 1.083 62.121 61.300 -0.436 0.000 1.462 78 I CB 0.143 37.685 38.000 -0.763 0.000 1.092 78 I HN -0.081 nan 8.210 nan 0.000 0.442 79 F N 0.005 119.943 119.950 -0.020 0.000 2.682 79 F HA 0.176 4.703 4.527 -0.001 0.000 0.308 79 F C 2.461 178.258 175.800 -0.005 0.000 1.093 79 F CA 0.293 58.302 58.000 0.015 0.000 1.244 79 F CB -0.801 38.164 39.000 -0.059 0.000 1.052 79 F HN 0.052 nan 8.300 nan 0.000 0.573 80 S N -0.688 115.072 115.700 0.100 0.000 2.402 80 S HA -0.134 4.335 4.470 -0.001 0.000 0.233 80 S C 0.602 175.237 174.600 0.057 0.000 1.030 80 S CA 1.042 59.277 58.200 0.058 0.000 1.003 80 S CB -0.202 63.012 63.200 0.023 0.000 0.813 80 S HN 0.475 nan 8.310 nan 0.000 0.477 81 E N -0.351 119.892 120.200 0.072 0.000 2.383 81 E HA 0.530 4.880 4.350 -0.001 0.000 0.275 81 E C -1.616 175.025 176.600 0.068 0.000 0.918 81 E CA -0.851 55.582 56.400 0.055 0.000 0.764 81 E CB 2.703 32.426 29.700 0.038 0.000 1.252 81 E HN 0.016 nan 8.360 nan 0.000 0.449 82 V N 1.828 121.768 119.914 0.044 0.000 2.555 82 V HA 0.345 4.464 4.120 -0.001 0.000 0.286 82 V C 1.207 177.314 176.094 0.022 0.000 1.044 82 V CA 1.424 63.743 62.300 0.031 0.000 1.026 82 V CB 0.697 32.519 31.823 -0.001 0.000 0.981 82 V HN 1.079 nan 8.190 nan 0.000 0.480 83 G N 3.882 112.691 108.800 0.016 0.000 2.195 83 G HA2 -0.257 3.703 3.960 -0.001 0.000 0.246 83 G HA3 -0.257 3.703 3.960 -0.001 0.000 0.246 83 G C 0.407 175.314 174.900 0.011 0.000 0.984 83 G CA 0.263 45.368 45.100 0.009 0.000 0.633 83 G HN 0.721 nan 8.290 nan 0.000 0.525 84 K N 1.398 121.817 120.400 0.031 0.000 2.447 84 K HA 0.353 4.672 4.320 -0.001 0.000 0.281 84 K C 0.224 176.854 176.600 0.051 0.000 1.031 84 K CA 0.215 56.531 56.287 0.048 0.000 1.019 84 K CB 0.162 32.705 32.500 0.071 0.000 0.918 84 K HN 0.263 nan 8.250 nan 0.000 0.476 85 K N 2.689 123.122 120.400 0.055 0.000 2.159 85 K HA 0.261 4.580 4.320 -0.001 0.000 0.266 85 K C -0.957 175.720 176.600 0.129 0.000 0.975 85 K CA -0.618 55.713 56.287 0.074 0.000 0.865 85 K CB 1.990 34.520 32.500 0.050 0.000 1.087 85 K HN 0.506 nan 8.250 nan 0.000 0.446 86 T N 2.124 116.804 114.554 0.211 0.000 2.879 86 T HA 0.168 4.518 4.350 -0.001 0.000 0.290 86 T C -0.761 174.110 174.700 0.285 0.000 0.993 86 T CA -0.917 61.330 62.100 0.244 0.000 0.975 86 T CB 1.469 70.508 68.868 0.284 0.000 0.981 86 T HN 0.339 nan 8.240 nan 0.000 0.439 87 E N 3.012 123.363 120.200 0.252 0.000 2.373 87 E HA 0.474 4.824 4.350 -0.001 0.000 0.267 87 E C -0.025 176.794 176.600 0.364 0.000 1.032 87 E CA -0.187 56.383 56.400 0.284 0.000 0.889 87 E CB 0.961 30.795 29.700 0.223 0.000 0.984 87 E HN 0.641 nan 8.360 nan 0.000 0.425 88 M N 0.894 120.648 119.600 0.257 0.000 2.755 88 M HA 0.678 5.157 4.480 -0.001 0.000 0.273 88 M C -1.287 175.039 176.300 0.044 0.000 1.278 88 M CA -1.048 54.211 55.300 -0.069 0.000 0.819 88 M CB 1.532 33.809 32.600 -0.539 0.000 1.694 88 M HN 0.247 nan 8.290 nan 0.000 0.460 89 F N 0.289 119.933 119.950 -0.511 0.000 2.588 89 F HA 0.943 5.469 4.527 -0.001 0.000 0.310 89 F C -1.894 173.470 175.800 -0.727 0.000 1.082 89 F CA -0.711 56.934 58.000 -0.591 0.000 0.929 89 F CB 2.007 40.634 39.000 -0.622 0.000 1.254 89 F HN 1.113 nan 8.300 nan 0.000 0.455 90 A N 5.115 126.890 122.820 -1.741 0.000 2.422 90 A HA 0.811 5.131 4.320 -0.001 0.000 0.302 90 A C -1.535 174.871 177.584 -1.963 0.000 1.041 90 A CA -0.822 50.188 52.037 -1.712 0.000 0.708 90 A CB 1.691 19.720 19.000 -1.619 0.000 1.257 90 A HN 0.859 nan 8.150 nan 0.000 0.414 91 R N 2.209 121.736 120.500 -1.621 0.000 2.476 91 R HA 0.639 4.979 4.340 -0.001 0.000 0.305 91 R C -1.879 173.731 176.300 -1.150 0.000 0.965 91 R CA -0.353 55.035 56.100 -1.186 0.000 0.867 91 R CB 0.869 30.804 30.300 -0.609 0.000 1.176 91 R HN 0.636 nan 8.270 nan 0.000 0.447 92 F N 2.107 121.600 119.950 -0.761 0.000 2.458 92 F HA 0.539 5.065 4.527 -0.001 0.000 0.330 92 F C 0.611 175.944 175.800 -0.777 0.000 1.082 92 F CA -0.539 56.910 58.000 -0.919 0.000 0.995 92 F CB 2.215 40.397 39.000 -1.364 0.000 1.170 92 F HN 0.604 nan 8.300 nan 0.000 0.478 93 S N -0.599 114.964 115.700 -0.229 0.000 2.672 93 S HA 0.701 5.170 4.470 -0.001 0.000 0.271 93 S C -0.665 174.119 174.600 0.306 0.000 1.171 93 S CA -0.818 57.452 58.200 0.117 0.000 0.817 93 S CB 1.555 64.873 63.200 0.197 0.000 1.150 93 S HN 0.687 nan 8.310 nan 0.000 0.478 94 T N -1.808 112.907 114.554 0.269 0.000 2.892 94 T HA 0.749 5.099 4.350 -0.001 0.000 0.280 94 T C 0.741 175.407 174.700 -0.057 0.000 1.004 94 T CA -0.241 61.960 62.100 0.169 0.000 0.950 94 T CB 0.686 69.651 68.868 0.161 0.000 1.309 94 T HN 0.599 nan 8.240 nan 0.000 0.592 95 V N -0.105 119.732 119.914 -0.127 0.000 2.870 95 V HA 0.316 4.435 4.120 -0.001 0.000 0.232 95 V C 2.891 178.932 176.094 -0.089 0.000 1.161 95 V CA 0.789 62.893 62.300 -0.326 0.000 1.204 95 V CB -1.114 30.588 31.823 -0.202 0.000 1.003 95 V HN 1.017 nan 8.190 nan 0.000 0.499 96 A N 0.729 123.542 122.820 -0.011 0.000 1.929 96 A HA 0.218 4.538 4.320 -0.001 0.000 0.216 96 A C 1.620 179.223 177.584 0.030 0.000 1.176 96 A CA 1.169 53.213 52.037 0.011 0.000 0.628 96 A CB -1.034 17.976 19.000 0.016 0.000 0.816 96 A HN 0.584 nan 8.150 nan 0.000 0.444 97 G N 0.331 109.158 108.800 0.046 0.000 2.432 97 G HA2 0.407 4.366 3.960 -0.001 0.000 0.239 97 G HA3 0.407 4.366 3.960 -0.001 0.000 0.239 97 G C -0.250 174.692 174.900 0.069 0.000 1.291 97 G CA -0.268 44.867 45.100 0.059 0.000 0.863 97 G HN 0.453 nan 8.290 nan 0.000 0.560 98 E N -0.141 120.098 120.200 0.064 0.000 2.405 98 E HA 0.211 4.561 4.350 -0.001 0.000 0.253 98 E C 1.848 178.498 176.600 0.084 0.000 1.257 98 E CA -0.324 56.118 56.400 0.070 0.000 0.960 98 E CB 0.483 30.217 29.700 0.056 0.000 1.077 98 E HN 0.617 nan 8.360 nan 0.000 0.512 99 R N -0.227 120.327 120.500 0.089 0.000 2.303 99 R HA -0.048 4.291 4.340 -0.001 0.000 0.225 99 R C 1.092 177.441 176.300 0.081 0.000 1.114 99 R CA 1.517 57.679 56.100 0.103 0.000 1.007 99 R CB -0.310 30.061 30.300 0.118 0.000 0.861 99 R HN 0.441 nan 8.270 nan 0.000 0.471 100 G N -0.228 108.610 108.800 0.063 0.000 3.228 100 G HA2 0.406 4.366 3.960 -0.001 0.000 0.245 100 G HA3 0.406 4.366 3.960 -0.001 0.000 0.245 100 G C 0.229 175.157 174.900 0.046 0.000 1.051 100 G CA 0.040 45.168 45.100 0.047 0.000 0.809 100 G HN 0.442 nan 8.290 nan 0.000 0.531 101 A N 0.566 123.420 122.820 0.056 0.000 2.386 101 A HA 0.677 4.997 4.320 -0.001 0.000 0.246 101 A C 1.010 178.627 177.584 0.056 0.000 1.089 101 A CA 0.352 52.422 52.037 0.054 0.000 0.790 101 A CB 0.130 19.165 19.000 0.059 0.000 1.042 101 A HN 1.113 nan 8.150 nan 0.000 0.497 102 A N 0.554 123.404 122.820 0.049 0.000 2.520 102 A HA 0.298 4.617 4.320 -0.001 0.000 0.245 102 A C 0.646 178.263 177.584 0.055 0.000 1.072 102 A CA 0.137 52.201 52.037 0.045 0.000 0.761 102 A CB -0.099 18.924 19.000 0.038 0.000 1.004 102 A HN 0.790 nan 8.150 nan 0.000 0.499 103 D N 2.269 122.695 120.400 0.044 0.000 2.117 103 D HA -0.022 4.618 4.640 -0.001 0.000 0.198 103 D C 1.429 177.737 176.300 0.013 0.000 0.982 103 D CA 1.914 55.935 54.000 0.035 0.000 0.828 103 D CB -0.075 40.720 40.800 -0.009 0.000 0.967 103 D HN 0.646 nan 8.370 nan 0.000 0.464 104 A N 1.185 124.011 122.820 0.009 0.000 3.117 104 A HA 0.146 4.466 4.320 -0.001 0.000 0.255 104 A C 0.286 177.892 177.584 0.035 0.000 1.583 104 A CA -0.070 51.975 52.037 0.013 0.000 1.234 104 A CB -0.383 18.620 19.000 0.004 0.000 1.076 104 A HN 0.007 nan 8.150 nan 0.000 0.653 105 E N 0.008 120.240 120.200 0.052 0.000 2.232 105 E HA 0.297 4.647 4.350 -0.001 0.000 0.265 105 E C -0.077 176.570 176.600 0.077 0.000 1.001 105 E CA -0.928 55.510 56.400 0.064 0.000 0.870 105 E CB 1.407 31.149 29.700 0.070 0.000 1.175 105 E HN 0.484 nan 8.360 nan 0.000 0.407 106 R N 2.146 122.696 120.500 0.084 0.000 2.272 106 R HA 0.082 4.422 4.340 -0.001 0.000 0.334 106 R C -1.083 175.286 176.300 0.114 0.000 1.117 106 R CA 0.365 56.524 56.100 0.098 0.000 0.966 106 R CB 0.084 30.445 30.300 0.103 0.000 1.049 106 R HN 0.373 nan 8.270 nan 0.000 0.477 107 D N 3.068 123.541 120.400 0.122 0.000 2.671 107 D HA 0.247 4.887 4.640 -0.001 0.000 0.273 107 D C -0.597 175.793 176.300 0.151 0.000 1.264 107 D CA -0.604 53.477 54.000 0.135 0.000 0.788 107 D CB 1.311 42.181 40.800 0.118 0.000 1.324 107 D HN 0.354 nan 8.370 nan 0.000 0.424 108 I N 1.325 121.995 120.570 0.168 0.000 2.720 108 I HA 0.220 4.389 4.170 -0.001 0.000 0.287 108 I C 0.560 176.807 176.117 0.216 0.000 1.090 108 I CA -0.298 61.117 61.300 0.192 0.000 1.384 108 I CB 0.477 38.623 38.000 0.243 0.000 1.420 108 I HN 0.013 nan 8.210 nan 0.000 0.575 109 R N 3.806 124.460 120.500 0.257 0.000 2.338 109 R HA 0.401 4.740 4.340 -0.001 0.000 0.317 109 R C -0.154 176.343 176.300 0.328 0.000 0.968 109 R CA -0.737 55.546 56.100 0.305 0.000 0.849 109 R CB 1.381 31.886 30.300 0.342 0.000 1.128 109 R HN 0.789 nan 8.270 nan 0.000 0.448 110 G N 1.249 110.259 108.800 0.351 0.000 2.483 110 G HA2 0.296 4.256 3.960 -0.001 0.000 0.248 110 G HA3 0.296 4.256 3.960 -0.001 0.000 0.248 110 G C -0.918 174.089 174.900 0.179 0.000 1.248 110 G CA -0.156 45.118 45.100 0.290 0.000 0.838 110 G HN 0.487 nan 8.290 nan 0.000 0.566 111 F N 2.330 122.218 119.950 -0.102 0.000 2.769 111 F HA 0.547 5.074 4.527 -0.001 0.000 0.358 111 F C 0.374 175.907 175.800 -0.446 0.000 1.285 111 F CA -0.830 57.080 58.000 -0.151 0.000 1.199 111 F CB 0.854 39.775 39.000 -0.132 0.000 1.558 111 F HN 0.639 nan 8.300 nan 0.000 0.583 112 A N 5.473 127.860 122.820 -0.722 0.000 2.260 112 A HA 0.779 5.098 4.320 -0.001 0.000 0.308 112 A C -1.101 175.757 177.584 -1.211 0.000 1.254 112 A CA -0.372 51.018 52.037 -1.078 0.000 0.874 112 A CB 0.411 18.377 19.000 -1.724 0.000 1.153 112 A HN 0.628 nan 8.150 nan 0.000 0.527 113 L N 2.006 122.693 121.223 -0.892 0.000 2.362 113 L HA 0.610 4.950 4.340 -0.001 0.000 0.271 113 L C 0.020 176.469 176.870 -0.702 0.000 1.002 113 L CA -0.662 53.590 54.840 -0.980 0.000 0.818 113 L CB 2.158 43.438 42.059 -1.298 0.000 1.298 113 L HN 0.740 nan 8.230 nan 0.000 0.420 114 K N 2.682 122.610 120.400 -0.788 0.000 2.535 114 K HA 0.519 4.839 4.320 -0.001 0.000 0.253 114 K C -1.716 174.268 176.600 -1.027 0.000 0.953 114 K CA -0.424 55.426 56.287 -0.727 0.000 0.863 114 K CB 1.029 33.143 32.500 -0.643 0.000 1.111 114 K HN 0.322 nan 8.250 nan 0.000 0.431 115 F N 3.978 123.553 119.950 -0.626 0.000 2.385 115 F HA 0.290 4.816 4.527 -0.001 0.000 0.360 115 F C -0.380 175.209 175.800 -0.352 0.000 1.122 115 F CA -0.751 56.978 58.000 -0.452 0.000 1.090 115 F CB 0.776 39.601 39.000 -0.292 0.000 1.150 115 F HN 0.419 nan 8.300 nan 0.000 0.472 116 Y N 1.711 122.061 120.300 0.084 0.000 2.570 116 Y HA 0.194 4.744 4.550 -0.001 0.000 0.336 116 Y C 1.138 177.063 175.900 0.042 0.000 1.284 116 Y CA -0.971 57.147 58.100 0.030 0.000 1.761 116 Y CB -0.770 37.686 38.460 -0.007 0.000 1.724 116 Y HN 0.543 nan 8.280 nan 0.000 0.455 117 T N -2.399 112.237 114.554 0.137 0.000 2.816 117 T HA 0.084 4.434 4.350 -0.001 0.000 0.282 117 T C 1.102 175.825 174.700 0.039 0.000 0.993 117 T CA -0.613 61.524 62.100 0.062 0.000 0.994 117 T CB 1.025 69.884 68.868 -0.016 0.000 1.025 117 T HN 0.728 nan 8.240 nan 0.000 0.529 118 E N -0.440 119.767 120.200 0.012 0.000 2.511 118 E HA 0.005 4.355 4.350 -0.001 0.000 0.196 118 E C 0.744 177.337 176.600 -0.011 0.000 1.066 118 E CA 0.507 56.913 56.400 0.009 0.000 0.871 118 E CB -0.055 29.653 29.700 0.014 0.000 0.863 118 E HN 0.826 nan 8.360 nan 0.000 0.520 119 E N 0.435 120.612 120.200 -0.038 0.000 2.968 119 E HA 0.283 4.632 4.350 -0.001 0.000 0.202 119 E C -0.207 176.342 176.600 -0.085 0.000 0.979 119 E CA -0.080 56.265 56.400 -0.091 0.000 1.192 119 E CB 1.264 30.883 29.700 -0.135 0.000 1.059 119 E HN 0.367 nan 8.360 nan 0.000 0.470 120 G N 1.144 109.925 108.800 -0.031 0.000 2.423 120 G HA2 -0.166 3.794 3.960 -0.001 0.000 0.684 120 G HA3 -0.166 3.794 3.960 -0.001 0.000 0.684 120 G C -1.131 173.788 174.900 0.031 0.000 1.309 120 G CA -1.117 43.978 45.100 -0.007 0.000 0.950 120 G HN 0.192 nan 8.290 nan 0.000 0.587 121 N N -0.040 118.679 118.700 0.031 0.000 2.422 121 N HA 0.401 5.141 4.740 -0.001 0.000 0.264 121 N C -0.726 174.838 175.510 0.089 0.000 1.063 121 N CA -0.295 52.764 53.050 0.014 0.000 0.959 121 N CB 1.058 39.512 38.487 -0.055 0.000 1.087 121 N HN 0.583 nan 8.380 nan 0.000 0.483 122 W N 4.184 125.434 121.300 -0.083 0.000 2.314 122 W HA 0.304 4.963 4.660 -0.001 0.000 0.310 122 W C -1.158 175.353 176.519 -0.013 0.000 1.075 122 W CA -1.003 56.312 57.345 -0.051 0.000 1.253 122 W CB 0.397 29.794 29.460 -0.105 0.000 1.238 122 W HN 0.397 nan 8.180 nan 0.000 0.440 123 D N 6.682 127.000 120.400 -0.137 0.000 2.280 123 D HA 0.162 4.801 4.640 -0.001 0.000 0.236 123 D C -0.201 175.833 176.300 -0.442 0.000 1.082 123 D CA -0.226 53.612 54.000 -0.271 0.000 0.834 123 D CB 1.586 42.361 40.800 -0.042 0.000 1.100 123 D HN 0.266 nan 8.370 nan 0.000 0.486 124 M N 3.871 123.092 119.600 -0.631 0.000 2.208 124 M HA 0.183 4.662 4.480 -0.001 0.000 0.352 124 M C -1.432 174.670 176.300 -0.330 0.000 1.137 124 M CA -0.817 54.167 55.300 -0.527 0.000 1.091 124 M CB 0.515 32.677 32.600 -0.730 0.000 1.309 124 M HN -0.026 nan 8.290 nan 0.000 0.408 125 V N 5.294 125.101 119.914 -0.179 0.000 2.267 125 V HA 0.512 4.632 4.120 -0.001 0.000 0.254 125 V C 0.947 176.997 176.094 -0.073 0.000 1.144 125 V CA -0.418 61.760 62.300 -0.204 0.000 0.992 125 V CB -0.372 31.313 31.823 -0.230 0.000 1.199 125 V HN 0.860 nan 8.190 nan 0.000 0.493 126 G N 3.013 111.778 108.800 -0.058 0.000 2.938 126 G HA2 0.637 4.597 3.960 -0.001 0.000 0.258 126 G HA3 0.637 4.597 3.960 -0.001 0.000 0.258 126 G C -0.772 174.179 174.900 0.085 0.000 1.356 126 G CA -0.602 44.532 45.100 0.057 0.000 1.052 126 G HN 0.481 nan 8.290 nan 0.000 0.550 127 N N -1.073 117.711 118.700 0.140 0.000 2.831 127 N HA 0.217 4.956 4.740 -0.001 0.000 0.276 127 N C 0.361 176.007 175.510 0.227 0.000 1.416 127 N CA -0.711 52.464 53.050 0.208 0.000 0.799 127 N CB 1.449 40.055 38.487 0.199 0.000 1.554 127 N HN 0.509 nan 8.380 nan 0.000 0.541 128 N N -1.217 117.642 118.700 0.264 0.000 2.383 128 N HA -0.022 4.718 4.740 -0.001 0.000 0.192 128 N C -0.334 175.411 175.510 0.393 0.000 1.141 128 N CA 0.154 53.380 53.050 0.293 0.000 0.851 128 N CB 0.103 38.750 38.487 0.267 0.000 0.976 128 N HN 0.388 nan 8.380 nan 0.000 0.465 129 T N 0.473 115.174 114.554 0.246 0.000 2.876 129 T HA 0.377 4.726 4.350 -0.001 0.000 0.289 129 T C -2.297 172.168 174.700 -0.392 0.000 1.014 129 T CA -1.946 60.117 62.100 -0.062 0.000 0.986 129 T CB 2.194 71.023 68.868 -0.064 0.000 1.021 129 T HN -0.149 nan 8.240 nan 0.000 0.458 130 P HA 0.106 nan 4.420 nan 0.000 0.241 130 P C 0.524 177.542 177.300 -0.470 0.000 1.191 130 P CA 0.356 62.890 63.100 -0.942 0.000 0.771 130 P CB -0.019 31.014 31.700 -1.112 0.000 0.929 131 V N -4.756 114.926 119.914 -0.387 0.000 3.139 131 V HA 0.786 4.906 4.120 -0.001 0.000 0.310 131 V C -0.835 175.213 176.094 -0.076 0.000 1.260 131 V CA -1.088 61.053 62.300 -0.264 0.000 1.064 131 V CB 1.905 33.479 31.823 -0.416 0.000 1.160 131 V HN -0.089 nan 8.190 nan 0.000 0.470 132 F N -2.015 117.787 119.950 -0.247 0.000 2.779 132 F HA 0.626 5.153 4.527 -0.001 0.000 0.316 132 F C 0.309 176.025 175.800 -0.141 0.000 1.164 132 F CA -1.001 56.873 58.000 -0.209 0.000 0.924 132 F CB 1.295 40.275 39.000 -0.032 0.000 1.348 132 F HN 0.538 nan 8.300 nan 0.000 0.467 133 Y N 1.330 121.328 120.300 -0.503 0.000 2.200 133 Y HA 0.044 4.594 4.550 -0.000 0.000 0.290 133 Y C 0.633 176.533 175.900 0.001 0.000 1.137 133 Y CA 1.103 59.041 58.100 -0.269 0.000 1.163 133 Y CB -0.491 37.789 38.460 -0.301 0.000 0.988 133 Y HN 0.103 nan 8.280 nan 0.000 0.518 134 L N -0.748 120.689 121.223 0.357 0.000 2.358 134 L HA 0.468 4.807 4.340 -0.001 0.000 0.268 134 L C 1.065 178.052 176.870 0.195 0.000 1.032 134 L CA -0.779 54.232 54.840 0.284 0.000 0.805 134 L CB 1.402 43.683 42.059 0.370 0.000 1.253 134 L HN -0.153 nan 8.230 nan 0.000 0.452 135 R N -0.871 119.646 120.500 0.029 0.000 2.316 135 R HA 0.175 4.514 4.340 -0.001 0.000 0.201 135 R C -0.439 175.804 176.300 -0.096 0.000 0.888 135 R CA 0.061 56.098 56.100 -0.105 0.000 1.041 135 R CB 0.654 30.695 30.300 -0.432 0.000 1.115 135 R HN 0.623 nan 8.270 nan 0.000 0.559 136 D N 0.540 120.921 120.400 -0.031 0.000 2.649 136 D HA 0.160 4.800 4.640 -0.001 0.000 0.249 136 D C -1.964 174.426 176.300 0.150 0.000 1.112 136 D CA -2.055 51.984 54.000 0.065 0.000 0.850 136 D CB 2.597 43.465 40.800 0.115 0.000 1.399 136 D HN -0.165 nan 8.370 nan 0.000 0.503 137 P HA -0.068 nan 4.420 nan 0.000 0.225 137 P C 1.692 179.105 177.300 0.188 0.000 1.148 137 P CA 0.394 63.590 63.100 0.159 0.000 0.779 137 P CB 0.577 32.328 31.700 0.086 0.000 0.780 138 L N -0.686 120.632 121.223 0.159 0.000 2.275 138 L HA -0.063 4.276 4.340 -0.001 0.000 0.215 138 L C 2.237 179.201 176.870 0.157 0.000 1.119 138 L CA 1.093 56.018 54.840 0.141 0.000 0.790 138 L CB -0.499 41.631 42.059 0.119 0.000 0.919 138 L HN -0.112 nan 8.230 nan 0.000 0.443 139 K N -0.872 119.654 120.400 0.210 0.000 2.444 139 K HA -0.004 4.315 4.320 -0.001 0.000 0.193 139 K C 1.672 178.422 176.600 0.250 0.000 1.024 139 K CA 0.399 56.834 56.287 0.247 0.000 1.077 139 K CB -0.051 32.617 32.500 0.280 0.000 0.833 139 K HN 0.151 nan 8.250 nan 0.000 0.517 140 F N 2.540 122.560 119.950 0.117 0.000 2.146 140 F HA -0.053 4.474 4.527 -0.001 0.000 0.298 140 F C -0.945 174.819 175.800 -0.060 0.000 1.096 140 F CA 0.805 58.863 58.000 0.096 0.000 1.275 140 F CB -0.640 38.434 39.000 0.123 0.000 1.008 140 F HN 0.027 nan 8.300 nan 0.000 0.480 141 P HA -0.127 nan 4.420 nan 0.000 0.218 141 P C 1.074 177.904 177.300 -0.783 0.000 1.149 141 P CA 1.673 64.546 63.100 -0.377 0.000 0.817 141 P CB -0.038 31.520 31.700 -0.236 0.000 0.785 142 D N -0.801 119.292 120.400 -0.512 0.000 2.178 142 D HA -0.113 4.526 4.640 -0.001 0.000 0.202 142 D C 1.868 177.592 176.300 -0.961 0.000 0.974 142 D CA 0.892 54.528 54.000 -0.608 0.000 0.841 142 D CB -0.374 40.261 40.800 -0.274 0.000 0.953 142 D HN 0.115 nan 8.370 nan 0.000 0.478 143 L N 1.608 122.379 121.223 -0.753 0.000 2.056 143 L HA -0.102 4.237 4.340 -0.001 0.000 0.207 143 L C 1.788 178.269 176.870 -0.649 0.000 1.078 143 L CA 1.475 55.864 54.840 -0.751 0.000 0.749 143 L CB -0.704 41.108 42.059 -0.412 0.000 0.901 143 L HN -0.077 nan 8.230 nan 0.000 0.433 144 N N -0.422 117.908 118.700 -0.618 0.000 2.069 144 N HA -0.288 4.452 4.740 -0.001 0.000 0.191 144 N C 1.893 177.275 175.510 -0.213 0.000 1.031 144 N CA 2.198 55.010 53.050 -0.396 0.000 0.852 144 N CB -0.353 37.930 38.487 -0.340 0.000 1.018 144 N HN 0.678 nan 8.380 nan 0.000 0.423 145 H N -0.387 118.483 119.070 -0.334 0.000 2.489 145 H HA -0.088 4.468 4.556 -0.001 0.000 0.295 145 H C 1.879 177.034 175.328 -0.288 0.000 1.082 145 H CA 1.383 57.263 56.048 -0.279 0.000 1.295 145 H CB 0.162 29.753 29.762 -0.284 0.000 1.380 145 H HN 0.449 nan 8.280 nan 0.000 0.548 146 I N -1.738 118.646 120.570 -0.310 0.000 3.339 146 I HA -0.021 4.148 4.170 -0.001 0.000 0.285 146 I C 2.131 178.110 176.117 -0.230 0.000 1.201 146 I CA 0.089 61.208 61.300 -0.303 0.000 1.434 146 I CB -0.307 37.383 38.000 -0.517 0.000 1.152 146 I HN 0.013 nan 8.210 nan 0.000 0.443 147 V N -1.349 118.411 119.914 -0.256 0.000 3.041 147 V HA 0.137 4.256 4.120 -0.001 0.000 0.260 147 V C 1.379 177.426 176.094 -0.078 0.000 1.105 147 V CA 0.710 62.917 62.300 -0.154 0.000 1.125 147 V CB -1.206 30.524 31.823 -0.156 0.000 0.730 147 V HN 0.364 nan 8.190 nan 0.000 0.479 148 K N 0.171 120.524 120.400 -0.078 0.000 2.580 148 K HA 0.529 4.849 4.320 -0.001 0.000 0.287 148 K C -0.076 176.512 176.600 -0.019 0.000 1.005 148 K CA -1.070 55.198 56.287 -0.033 0.000 1.200 148 K CB 0.494 32.981 32.500 -0.022 0.000 1.568 148 K HN 0.181 nan 8.250 nan 0.000 0.685 149 R N 1.518 122.012 120.500 -0.010 0.000 2.459 149 R HA 0.078 4.418 4.340 -0.001 0.000 0.281 149 R C -0.327 175.973 176.300 0.000 0.000 1.050 149 R CA -0.492 55.606 56.100 -0.004 0.000 1.055 149 R CB 0.441 30.739 30.300 -0.003 0.000 1.045 149 R HN 0.520 nan 8.270 nan 0.000 0.495 150 D N 3.641 124.054 120.400 0.022 0.000 2.424 150 D HA -0.002 4.638 4.640 -0.001 0.000 0.244 150 D C -1.278 175.036 176.300 0.024 0.000 1.134 150 D CA -1.521 52.519 54.000 0.066 0.000 0.881 150 D CB 1.197 42.020 40.800 0.039 0.000 1.191 150 D HN 0.302 nan 8.370 nan 0.000 0.445 151 P HA -0.125 nan 4.420 nan 0.000 0.221 151 P C 1.140 178.435 177.300 -0.008 0.000 1.145 151 P CA 0.946 64.030 63.100 -0.027 0.000 0.795 151 P CB 0.516 32.181 31.700 -0.058 0.000 0.775 152 R N -0.054 120.455 120.500 0.015 0.000 2.119 152 R HA 0.016 4.355 4.340 -0.001 0.000 0.202 152 R C 2.373 178.674 176.300 0.003 0.000 1.114 152 R CA 1.396 57.501 56.100 0.009 0.000 1.089 152 R CB -0.547 29.764 30.300 0.019 0.000 1.000 152 R HN 0.102 nan 8.270 nan 0.000 0.487 153 T N -1.583 112.972 114.554 0.002 0.000 3.055 153 T HA -0.030 4.319 4.350 -0.001 0.000 0.265 153 T C 0.701 175.397 174.700 -0.006 0.000 1.111 153 T CA 0.941 63.036 62.100 -0.008 0.000 1.118 153 T CB -0.236 68.618 68.868 -0.024 0.000 0.909 153 T HN 0.451 nan 8.240 nan 0.000 0.501 154 N N 0.130 118.828 118.700 -0.003 0.000 2.714 154 N HA -0.147 4.593 4.740 -0.001 0.000 0.250 154 N C -0.667 174.842 175.510 -0.001 0.000 1.117 154 N CA 0.904 53.953 53.050 -0.002 0.000 0.719 154 N CB -1.669 36.818 38.487 -0.001 0.000 1.081 154 N HN 0.701 nan 8.380 nan 0.000 0.557 155 M N -0.199 119.398 119.600 -0.005 0.000 2.619 155 M HA 0.366 4.845 4.480 -0.001 0.000 0.297 155 M C 0.041 176.337 176.300 -0.006 0.000 1.229 155 M CA -0.772 54.526 55.300 -0.004 0.000 0.860 155 M CB 2.023 34.618 32.600 -0.008 0.000 1.741 155 M HN -0.094 nan 8.290 nan 0.000 0.462 156 R N 1.959 122.460 120.500 0.002 0.000 2.404 156 R HA 0.106 4.446 4.340 -0.001 0.000 0.315 156 R C -0.348 175.948 176.300 -0.007 0.000 1.032 156 R CA -0.088 56.014 56.100 0.005 0.000 0.992 156 R CB -0.106 30.206 30.300 0.020 0.000 0.959 156 R HN 0.412 nan 8.270 nan 0.000 0.428 157 N N 4.290 122.975 118.700 -0.026 0.000 2.462 157 N HA 0.035 4.774 4.740 -0.001 0.000 0.242 157 N C 0.730 176.230 175.510 -0.017 0.000 1.010 157 N CA -0.260 52.731 53.050 -0.099 0.000 0.939 157 N CB 0.972 39.279 38.487 -0.300 0.000 1.127 157 N HN 0.448 nan 8.380 nan 0.000 0.509 158 M N 2.128 121.754 119.600 0.044 0.000 2.394 158 M HA -0.008 4.472 4.480 -0.001 0.000 0.264 158 M C 1.804 178.256 176.300 0.254 0.000 1.073 158 M CA 0.569 55.989 55.300 0.201 0.000 1.111 158 M CB -1.382 31.368 32.600 0.249 0.000 1.401 158 M HN 0.607 nan 8.290 nan 0.000 0.448 159 A N -0.599 122.274 122.820 0.088 0.000 1.930 159 A HA -0.144 4.176 4.320 -0.001 0.000 0.217 159 A C 1.908 179.630 177.584 0.231 0.000 1.175 159 A CA 1.183 53.286 52.037 0.109 0.000 0.627 159 A CB -0.696 18.283 19.000 -0.036 0.000 0.815 159 A HN 0.361 nan 8.150 nan 0.000 0.443 160 Y N 0.073 120.405 120.300 0.052 0.000 2.220 160 Y HA -0.068 4.482 4.550 -0.001 0.000 0.291 160 Y C 2.318 178.179 175.900 -0.066 0.000 1.129 160 Y CA 0.957 59.052 58.100 -0.008 0.000 1.161 160 Y CB -0.712 37.714 38.460 -0.057 0.000 0.997 160 Y HN 0.395 nan 8.280 nan 0.000 0.522 161 K N -0.546 119.895 120.400 0.068 0.000 2.009 161 K HA -0.221 4.098 4.320 -0.001 0.000 0.210 161 K C 1.787 178.244 176.600 -0.239 0.000 1.049 161 K CA 2.096 58.263 56.287 -0.200 0.000 0.929 161 K CB -0.509 31.870 32.500 -0.202 0.000 0.714 161 K HN 0.279 nan 8.250 nan 0.000 0.440 162 W N 1.177 122.568 121.300 0.151 0.000 2.678 162 W HA -0.045 4.615 4.660 -0.001 0.000 0.256 162 W C 1.822 178.399 176.519 0.096 0.000 1.280 162 W CA 0.602 58.053 57.345 0.178 0.000 1.345 162 W CB -0.108 29.442 29.460 0.151 0.000 1.118 162 W HN 0.347 nan 8.180 nan 0.000 0.629 163 D N -0.205 120.339 120.400 0.241 0.000 2.123 163 D HA -0.237 4.403 4.640 -0.001 0.000 0.200 163 D C 1.877 178.271 176.300 0.157 0.000 0.976 163 D CA 1.163 55.261 54.000 0.163 0.000 0.831 163 D CB -0.432 40.492 40.800 0.206 0.000 0.974 163 D HN 0.055 nan 8.370 nan 0.000 0.469 164 F N 0.142 120.042 119.950 -0.084 0.000 2.075 164 F HA -0.122 4.404 4.527 -0.001 0.000 0.297 164 F C 1.838 177.541 175.800 -0.163 0.000 1.113 164 F CA 1.350 59.230 58.000 -0.199 0.000 1.218 164 F CB -0.591 38.096 39.000 -0.520 0.000 0.984 164 F HN -0.088 nan 8.300 nan 0.000 0.472 165 F N 0.728 120.609 119.950 -0.115 0.000 2.293 165 F HA -0.090 4.437 4.527 -0.000 0.000 0.300 165 F C 2.886 178.574 175.800 -0.188 0.000 1.086 165 F CA 1.061 58.907 58.000 -0.258 0.000 1.375 165 F CB -1.594 37.223 39.000 -0.305 0.000 1.045 165 F HN 0.134 nan 8.300 nan 0.000 0.516 166 S N -1.497 114.224 115.700 0.034 0.000 2.481 166 S HA -0.146 4.324 4.470 -0.001 0.000 0.231 166 S C 1.607 176.072 174.600 -0.225 0.000 0.996 166 S CA 1.042 59.174 58.200 -0.114 0.000 0.942 166 S CB -0.671 62.436 63.200 -0.154 0.000 0.768 166 S HN 0.428 nan 8.310 nan 0.000 0.520 167 H N 0.604 119.620 119.070 -0.090 0.000 2.553 167 H HA 0.420 4.975 4.556 -0.001 0.000 0.265 167 H C -0.101 175.110 175.328 -0.196 0.000 0.964 167 H CA 0.189 56.160 56.048 -0.128 0.000 1.156 167 H CB 0.252 29.939 29.762 -0.124 0.000 1.411 167 H HN 0.389 nan 8.280 nan 0.000 0.558 168 L N 1.949 123.090 121.223 -0.135 0.000 2.408 168 L HA 0.255 4.595 4.340 -0.001 0.000 0.257 168 L C -1.928 174.797 176.870 -0.241 0.000 1.053 168 L CA -1.601 53.119 54.840 -0.200 0.000 0.922 168 L CB 2.121 44.028 42.059 -0.254 0.000 1.261 168 L HN -0.167 nan 8.230 nan 0.000 0.458 169 P HA -0.144 nan 4.420 nan 0.000 0.226 169 P C 1.244 178.248 177.300 -0.492 0.000 1.153 169 P CA 0.657 63.427 63.100 -0.549 0.000 0.777 169 P CB 0.204 31.363 31.700 -0.903 0.000 0.794 170 E N 0.367 120.337 120.200 -0.382 0.000 2.268 170 E HA -0.119 4.230 4.350 -0.001 0.000 0.195 170 E C 1.402 178.002 176.600 0.000 0.000 0.995 170 E CA 1.472 57.857 56.400 -0.024 0.000 0.836 170 E CB -0.964 28.813 29.700 0.128 0.000 0.763 170 E HN 0.330 nan 8.360 nan 0.000 0.491 171 S N 0.688 116.360 115.700 -0.046 0.000 2.561 171 S HA 0.053 4.522 4.470 -0.001 0.000 0.225 171 S C 2.074 176.632 174.600 -0.069 0.000 0.977 171 S CA -0.004 58.171 58.200 -0.042 0.000 0.926 171 S CB -0.564 62.584 63.200 -0.086 0.000 0.769 171 S HN 0.196 nan 8.310 nan 0.000 0.533 172 L N 0.695 121.903 121.223 -0.025 0.000 2.127 172 L HA -0.150 4.190 4.340 -0.001 0.000 0.211 172 L C 2.810 179.800 176.870 0.200 0.000 1.089 172 L CA 1.920 56.807 54.840 0.079 0.000 0.757 172 L CB -0.764 41.347 42.059 0.087 0.000 0.899 172 L HN 0.517 nan 8.230 nan 0.000 0.434 173 H N -0.829 118.264 119.070 0.038 0.000 2.357 173 H HA -0.215 4.341 4.556 -0.001 0.000 0.301 173 H C 2.393 177.708 175.328 -0.023 0.000 1.082 173 H CA 1.250 57.320 56.048 0.036 0.000 1.342 173 H CB 0.451 30.213 29.762 0.000 0.000 1.389 173 H HN 0.190 nan 8.280 nan 0.000 0.511 174 Q N 0.757 120.511 119.800 -0.076 0.000 2.187 174 Q HA -0.038 4.302 4.340 -0.001 0.000 0.199 174 Q C 2.297 178.186 176.000 -0.184 0.000 0.957 174 Q CA 0.912 56.522 55.803 -0.321 0.000 0.857 174 Q CB -0.130 28.129 28.738 -0.798 0.000 0.929 174 Q HN 0.529 nan 8.270 nan 0.000 0.453 175 L N -0.509 120.689 121.223 -0.042 0.000 2.141 175 L HA -0.138 4.201 4.340 -0.001 0.000 0.209 175 L C 2.041 179.071 176.870 0.266 0.000 1.094 175 L CA 1.522 56.433 54.840 0.118 0.000 0.763 175 L CB -0.456 41.690 42.059 0.146 0.000 0.908 175 L HN 0.213 nan 8.230 nan 0.000 0.437 176 T N -0.179 114.556 114.554 0.302 0.000 2.904 176 T HA -0.052 4.297 4.350 -0.001 0.000 0.267 176 T C 1.899 176.722 174.700 0.206 0.000 1.059 176 T CA 1.040 63.351 62.100 0.352 0.000 1.137 176 T CB -0.044 69.083 68.868 0.432 0.000 0.879 176 T HN 0.198 nan 8.240 nan 0.000 0.467 177 I N 1.184 121.831 120.570 0.128 0.000 2.286 177 I HA -0.119 4.050 4.170 -0.001 0.000 0.245 177 I C 2.237 178.398 176.117 0.073 0.000 1.104 177 I CA 1.010 62.350 61.300 0.067 0.000 1.397 177 I CB -0.317 37.671 38.000 -0.020 0.000 1.072 177 I HN 0.088 nan 8.210 nan 0.000 0.417 178 D N 0.847 121.290 120.400 0.073 0.000 2.123 178 D HA -0.168 4.471 4.640 -0.001 0.000 0.196 178 D C 2.096 178.477 176.300 0.136 0.000 0.992 178 D CA 1.389 55.453 54.000 0.106 0.000 0.833 178 D CB -0.127 40.756 40.800 0.138 0.000 0.954 178 D HN 0.209 nan 8.370 nan 0.000 0.455 179 M N 0.607 120.306 119.600 0.165 0.000 2.595 179 M HA 0.056 4.535 4.480 -0.001 0.000 0.248 179 M C 0.944 177.298 176.300 0.090 0.000 1.119 179 M CA 0.162 55.555 55.300 0.155 0.000 1.079 179 M CB -0.603 32.124 32.600 0.212 0.000 1.472 179 M HN -0.099 nan 8.290 nan 0.000 0.501 180 S N -0.028 115.717 115.700 0.077 0.000 2.655 180 S HA 0.162 4.632 4.470 -0.001 0.000 0.265 180 S C 0.747 175.364 174.600 0.028 0.000 1.240 180 S CA -0.577 57.642 58.200 0.032 0.000 0.986 180 S CB 1.202 64.424 63.200 0.037 0.000 0.985 180 S HN 0.151 nan 8.310 nan 0.000 0.562 181 D N 0.480 120.882 120.400 0.003 0.000 2.221 181 D HA -0.060 4.579 4.640 -0.001 0.000 0.204 181 D C 1.805 178.121 176.300 0.028 0.000 0.982 181 D CA 1.134 55.137 54.000 0.004 0.000 0.857 181 D CB -0.275 40.513 40.800 -0.021 0.000 0.934 181 D HN 0.543 nan 8.370 nan 0.000 0.475 182 R N 0.074 120.600 120.500 0.043 0.000 2.316 182 R HA 0.070 4.409 4.340 -0.001 0.000 0.202 182 R C 1.952 178.303 176.300 0.085 0.000 1.029 182 R CA 0.560 56.701 56.100 0.068 0.000 1.018 182 R CB -0.064 30.287 30.300 0.085 0.000 0.888 182 R HN 0.091 nan 8.270 nan 0.000 0.471 183 G N 0.023 108.870 108.800 0.079 0.000 2.920 183 G HA2 -0.020 3.940 3.960 -0.001 0.000 0.208 183 G HA3 -0.020 3.940 3.960 -0.001 0.000 0.208 183 G C 0.487 175.443 174.900 0.095 0.000 1.159 183 G CA -0.004 45.152 45.100 0.093 0.000 0.784 183 G HN 0.158 nan 8.290 nan 0.000 0.535 184 L N 0.938 122.209 121.223 0.079 0.000 2.489 184 L HA 0.341 4.681 4.340 -0.001 0.000 0.257 184 L C -2.706 174.201 176.870 0.061 0.000 1.215 184 L CA -1.655 53.227 54.840 0.070 0.000 0.915 184 L CB 2.675 44.767 42.059 0.055 0.000 1.146 184 L HN -0.099 nan 8.230 nan 0.000 0.494 185 P HA 0.081 nan 4.420 nan 0.000 0.274 185 P C 0.466 177.807 177.300 0.068 0.000 1.246 185 P CA -0.494 62.660 63.100 0.090 0.000 0.795 185 P CB 1.040 32.824 31.700 0.139 0.000 1.006 186 L N 0.979 122.250 121.223 0.080 0.000 2.072 186 L HA 0.017 4.356 4.340 -0.001 0.000 0.205 186 L C 0.672 177.610 176.870 0.113 0.000 1.079 186 L CA 2.190 57.065 54.840 0.058 0.000 0.752 186 L CB -0.593 41.434 42.059 -0.052 0.000 0.906 186 L HN 0.623 nan 8.230 nan 0.000 0.436 187 S N -4.815 111.013 115.700 0.215 0.000 2.694 187 S HA 0.219 4.688 4.470 -0.001 0.000 0.273 187 S C 0.338 174.978 174.600 0.067 0.000 1.180 187 S CA -0.296 57.935 58.200 0.051 0.000 0.864 187 S CB -0.322 62.955 63.200 0.129 0.000 1.198 187 S HN 0.019 nan 8.310 nan 0.000 0.499 188 Y N 1.049 121.377 120.300 0.046 0.000 2.439 188 Y HA 0.257 4.806 4.550 -0.001 0.000 0.292 188 Y C 2.477 178.290 175.900 -0.145 0.000 1.130 188 Y CA 0.691 58.725 58.100 -0.111 0.000 1.254 188 Y CB -0.479 37.888 38.460 -0.155 0.000 1.000 188 Y HN 0.507 nan 8.280 nan 0.000 0.554 189 R N -0.952 119.487 120.500 -0.103 0.000 2.276 189 R HA 0.011 4.350 4.340 -0.001 0.000 0.203 189 R C -0.058 175.792 176.300 -0.750 0.000 1.017 189 R CA 0.609 56.434 56.100 -0.460 0.000 1.010 189 R CB -0.190 29.617 30.300 -0.822 0.000 0.900 189 R HN 0.230 nan 8.270 nan 0.000 0.469 190 F N 0.349 120.334 119.950 0.057 0.000 2.855 190 F HA 0.199 4.725 4.527 -0.001 0.000 0.317 190 F C 0.171 175.978 175.800 0.012 0.000 1.169 190 F CA -0.917 57.075 58.000 -0.013 0.000 1.299 190 F CB 0.581 39.562 39.000 -0.032 0.000 0.962 190 F HN -0.283 nan 8.300 nan 0.000 0.506 191 V N -3.570 116.476 119.914 0.220 0.000 2.914 191 V HA 0.604 4.724 4.120 -0.001 0.000 0.314 191 V C -0.272 175.998 176.094 0.293 0.000 1.084 191 V CA -0.872 61.550 62.300 0.203 0.000 0.963 191 V CB 1.770 33.749 31.823 0.260 0.000 1.025 191 V HN 0.039 nan 8.190 nan 0.000 0.432 192 H N 1.056 120.249 119.070 0.205 0.000 2.505 192 H HA 0.773 5.329 4.556 -0.001 0.000 0.355 192 H C 0.399 175.470 175.328 -0.428 0.000 1.179 192 H CA 0.367 56.410 56.048 -0.008 0.000 1.343 192 H CB 1.952 31.644 29.762 -0.118 0.000 1.501 192 H HN 1.164 nan 8.280 nan 0.000 0.569 193 G N 0.679 108.983 108.800 -0.826 0.000 2.482 193 G HA2 0.556 4.516 3.960 -0.001 0.000 0.317 193 G HA3 0.556 4.516 3.960 -0.001 0.000 0.317 193 G C -1.489 172.897 174.900 -0.857 0.000 1.241 193 G CA -0.401 43.768 45.100 -1.552 0.000 0.967 193 G HN 0.339 nan 8.290 nan 0.000 0.482 194 F N -0.553 119.274 119.950 -0.204 0.000 2.626 194 F HA 0.546 5.072 4.527 -0.001 0.000 0.311 194 F C 1.142 176.994 175.800 0.086 0.000 1.088 194 F CA -0.487 57.506 58.000 -0.012 0.000 0.949 194 F CB 2.409 41.336 39.000 -0.121 0.000 1.322 194 F HN 0.578 nan 8.300 nan 0.000 0.461 195 G N -0.406 108.632 108.800 0.397 0.000 2.683 195 G HA2 0.225 4.185 3.960 -0.001 0.000 0.213 195 G HA3 0.225 4.185 3.960 -0.001 0.000 0.213 195 G C 0.818 175.884 174.900 0.276 0.000 1.142 195 G CA 0.750 46.130 45.100 0.467 0.000 0.793 195 G HN 0.698 nan 8.290 nan 0.000 0.534 196 S N -0.645 115.093 115.700 0.064 0.000 1.637 196 S HA -0.256 4.213 4.470 -0.001 0.000 0.232 196 S C 0.939 175.403 174.600 -0.227 0.000 0.808 196 S CA 1.542 59.636 58.200 -0.176 0.000 1.437 196 S CB -1.294 61.738 63.200 -0.281 0.000 1.838 196 S HN 0.688 nan 8.310 nan 0.000 0.525 197 H N 1.829 120.868 119.070 -0.051 0.000 2.660 197 H HA 0.369 4.924 4.556 -0.001 0.000 0.374 197 H C 0.454 175.642 175.328 -0.233 0.000 1.291 197 H CA 0.748 56.683 56.048 -0.188 0.000 1.437 197 H CB 0.065 29.601 29.762 -0.377 0.000 1.509 197 H HN 0.340 nan 8.280 nan 0.000 0.614 198 T N 2.027 116.527 114.554 -0.089 0.000 2.817 198 T HA 0.279 4.628 4.350 -0.001 0.000 0.293 198 T C -0.214 174.461 174.700 -0.042 0.000 0.964 198 T CA -0.105 61.936 62.100 -0.098 0.000 1.085 198 T CB 0.153 69.067 68.868 0.076 0.000 0.921 198 T HN 0.311 nan 8.240 nan 0.000 0.502 199 Y N 0.678 121.000 120.300 0.036 0.000 2.833 199 Y HA 0.644 5.193 4.550 -0.001 0.000 0.323 199 Y C 0.815 176.863 175.900 0.246 0.000 1.220 199 Y CA -0.793 57.399 58.100 0.154 0.000 1.174 199 Y CB 1.346 39.861 38.460 0.092 0.000 1.404 199 Y HN 0.681 nan 8.280 nan 0.000 0.607 200 S N -0.233 115.712 115.700 0.407 0.000 2.569 200 S HA 0.707 5.176 4.470 -0.001 0.000 0.280 200 S C -1.794 172.986 174.600 0.300 0.000 1.111 200 S CA -0.748 57.618 58.200 0.277 0.000 0.887 200 S CB 1.847 65.161 63.200 0.189 0.000 1.095 200 S HN 0.265 nan 8.310 nan 0.000 0.476 201 F N 1.309 121.324 119.950 0.108 0.000 2.520 201 F HA 0.634 5.161 4.527 -0.001 0.000 0.322 201 F C -0.545 175.344 175.800 0.148 0.000 1.103 201 F CA -2.006 56.068 58.000 0.125 0.000 0.926 201 F CB 1.832 40.917 39.000 0.143 0.000 1.154 201 F HN 0.486 nan 8.300 nan 0.000 0.453 202 I N 4.376 125.094 120.570 0.246 0.000 2.436 202 I HA 0.224 4.394 4.170 -0.001 0.000 0.289 202 I C -0.215 175.974 176.117 0.120 0.000 1.010 202 I CA -0.819 60.570 61.300 0.148 0.000 1.098 202 I CB 1.419 39.453 38.000 0.057 0.000 1.266 202 I HN 0.514 nan 8.210 nan 0.000 0.434 203 N N 6.198 124.999 118.700 0.168 0.000 2.476 203 N HA 0.241 4.981 4.740 -0.001 0.000 0.287 203 N C 0.653 176.192 175.510 0.048 0.000 1.262 203 N CA -0.680 52.433 53.050 0.105 0.000 0.980 203 N CB 0.579 39.166 38.487 0.165 0.000 1.163 203 N HN 0.546 nan 8.380 nan 0.000 0.592 204 K N -1.775 118.636 120.400 0.019 0.000 2.283 204 K HA -0.030 4.290 4.320 -0.001 0.000 0.202 204 K C -0.211 176.385 176.600 -0.007 0.000 1.048 204 K CA 1.260 57.543 56.287 -0.007 0.000 0.948 204 K CB -0.112 32.375 32.500 -0.021 0.000 0.742 204 K HN 0.392 nan 8.250 nan 0.000 0.458 205 D N 1.374 121.783 120.400 0.014 0.000 2.325 205 D HA 0.028 4.668 4.640 -0.001 0.000 0.225 205 D C -0.335 175.965 176.300 -0.000 0.000 1.096 205 D CA 0.089 54.093 54.000 0.007 0.000 0.844 205 D CB 0.027 40.840 40.800 0.021 0.000 0.925 205 D HN 0.236 nan 8.370 nan 0.000 0.513 206 N N 1.547 120.248 118.700 0.002 0.000 2.747 206 N HA -0.173 4.567 4.740 -0.001 0.000 0.249 206 N C -0.712 174.769 175.510 -0.049 0.000 1.107 206 N CA 0.703 53.742 53.050 -0.017 0.000 0.707 206 N CB -0.984 37.486 38.487 -0.028 0.000 1.054 206 N HN 0.503 nan 8.380 nan 0.000 0.555 207 E N 0.657 120.834 120.200 -0.038 0.000 2.197 207 E HA 0.283 4.633 4.350 -0.001 0.000 0.281 207 E C 0.337 176.766 176.600 -0.285 0.000 0.995 207 E CA -0.545 55.744 56.400 -0.185 0.000 0.808 207 E CB 1.846 31.439 29.700 -0.177 0.000 1.093 207 E HN 0.140 nan 8.360 nan 0.000 0.394 208 R N 3.113 123.340 120.500 -0.454 0.000 2.349 208 R HA 0.372 4.712 4.340 -0.001 0.000 0.299 208 R C -1.292 174.543 176.300 -0.775 0.000 1.027 208 R CA -0.219 55.596 56.100 -0.475 0.000 0.958 208 R CB 0.481 30.476 30.300 -0.509 0.000 1.047 208 R HN 0.377 nan 8.270 nan 0.000 0.468 209 F N 3.336 123.138 119.950 -0.246 0.000 2.539 209 F HA 0.345 4.871 4.527 -0.001 0.000 0.318 209 F C -0.844 174.841 175.800 -0.191 0.000 1.135 209 F CA -0.613 57.274 58.000 -0.189 0.000 0.915 209 F CB 1.147 40.160 39.000 0.022 0.000 1.176 209 F HN 0.477 nan 8.300 nan 0.000 0.440 210 W N 3.477 124.901 121.300 0.207 0.000 2.272 210 W HA 0.626 5.285 4.660 -0.001 0.000 0.318 210 W C -0.405 176.208 176.519 0.157 0.000 1.255 210 W CA -0.799 56.674 57.345 0.213 0.000 1.200 210 W CB 1.100 30.736 29.460 0.294 0.000 1.170 210 W HN 0.294 nan 8.180 nan 0.000 0.549 211 V N 4.169 124.179 119.914 0.160 0.000 2.962 211 V HA 0.533 4.653 4.120 -0.001 0.000 0.313 211 V C -0.905 174.839 176.094 -0.583 0.000 1.099 211 V CA -1.188 60.922 62.300 -0.317 0.000 0.971 211 V CB 2.152 33.410 31.823 -0.941 0.000 1.028 211 V HN 0.356 nan 8.190 nan 0.000 0.430 212 K N 4.263 124.276 120.400 -0.644 0.000 2.345 212 K HA 0.532 4.852 4.320 -0.001 0.000 0.255 212 K C -1.551 174.792 176.600 -0.430 0.000 0.934 212 K CA -0.225 55.700 56.287 -0.604 0.000 0.801 212 K CB 1.830 33.990 32.500 -0.566 0.000 1.137 212 K HN 0.507 nan 8.250 nan 0.000 0.424 213 F N 2.554 122.459 119.950 -0.075 0.000 2.415 213 F HA 0.324 4.851 4.527 -0.001 0.000 0.348 213 F C 0.823 176.528 175.800 -0.158 0.000 1.119 213 F CA -0.390 57.570 58.000 -0.065 0.000 1.069 213 F CB 0.926 39.986 39.000 0.099 0.000 1.124 213 F HN 0.248 nan 8.300 nan 0.000 0.472 214 H N 4.057 123.097 119.070 -0.050 0.000 2.609 214 H HA 0.328 4.884 4.556 -0.001 0.000 0.344 214 H C -1.370 173.730 175.328 -0.379 0.000 1.040 214 H CA -0.600 55.356 56.048 -0.153 0.000 1.216 214 H CB 1.715 31.428 29.762 -0.080 0.000 1.529 214 H HN 0.414 nan 8.280 nan 0.000 0.519 215 F N 3.247 123.107 119.950 -0.151 0.000 2.311 215 F HA 0.281 4.807 4.527 -0.001 0.000 0.371 215 F C 0.630 176.469 175.800 0.065 0.000 1.083 215 F CA -0.901 57.129 58.000 0.051 0.000 1.113 215 F CB 0.703 39.740 39.000 0.061 0.000 1.349 215 F HN 0.213 nan 8.300 nan 0.000 0.470 216 R N 1.536 122.176 120.500 0.233 0.000 2.316 216 R HA 0.120 4.460 4.340 -0.001 0.000 0.314 216 R C -0.252 176.256 176.300 0.347 0.000 1.069 216 R CA -0.325 55.887 56.100 0.187 0.000 0.959 216 R CB 0.920 31.246 30.300 0.044 0.000 0.987 216 R HN 0.636 nan 8.270 nan 0.000 0.446 217 C N 4.111 123.699 119.300 0.481 0.000 2.651 217 C HA 0.051 4.511 4.460 -0.001 0.000 0.410 217 C C 1.402 176.314 174.990 -0.129 0.000 1.372 217 C CA -0.265 58.720 59.018 -0.055 0.000 1.707 217 C CB -0.187 27.513 27.740 -0.066 0.000 2.501 217 C HN 0.617 nan 8.230 nan 0.000 0.598 218 Q N 3.079 122.679 119.800 -0.334 0.000 2.403 218 Q HA 0.036 4.376 4.340 -0.001 0.000 0.203 218 Q C 1.162 177.049 176.000 -0.188 0.000 0.932 218 Q CA 0.726 56.405 55.803 -0.207 0.000 0.945 218 Q CB 0.231 28.842 28.738 -0.212 0.000 1.045 218 Q HN 0.808 nan 8.270 nan 0.000 0.511 219 Q N -0.509 119.156 119.800 -0.225 0.000 2.281 219 Q HA 0.330 4.669 4.340 -0.001 0.000 0.215 219 Q C 0.304 176.368 176.000 0.106 0.000 0.867 219 Q CA 0.544 56.303 55.803 -0.074 0.000 0.940 219 Q CB 1.238 29.844 28.738 -0.219 0.000 1.111 219 Q HN 0.349 nan 8.270 nan 0.000 0.513 220 G N 0.689 109.512 108.800 0.038 0.000 2.712 220 G HA2 -0.171 3.788 3.960 -0.001 0.000 0.686 220 G HA3 -0.171 3.788 3.960 -0.001 0.000 0.686 220 G C -0.863 174.082 174.900 0.075 0.000 1.321 220 G CA -0.922 44.210 45.100 0.053 0.000 0.813 220 G HN 0.061 nan 8.290 nan 0.000 0.599 221 I N 1.406 121.973 120.570 -0.005 0.000 2.337 221 I HA 0.323 4.492 4.170 -0.001 0.000 0.291 221 I C 0.771 176.870 176.117 -0.031 0.000 1.046 221 I CA 0.195 61.481 61.300 -0.023 0.000 1.324 221 I CB 0.747 38.708 38.000 -0.065 0.000 1.409 221 I HN 0.402 nan 8.210 nan 0.000 0.494 222 K N 6.066 126.444 120.400 -0.037 0.000 2.345 222 K HA 0.500 4.820 4.320 -0.001 0.000 0.255 222 K C -0.638 175.910 176.600 -0.086 0.000 0.934 222 K CA -0.819 55.360 56.287 -0.180 0.000 0.801 222 K CB 2.353 34.512 32.500 -0.569 0.000 1.137 222 K HN 0.446 nan 8.250 nan 0.000 0.424 223 N N 2.033 120.686 118.700 -0.078 0.000 2.545 223 N HA 0.534 5.274 4.740 -0.001 0.000 0.289 223 N C -0.980 174.503 175.510 -0.046 0.000 1.279 223 N CA -0.656 52.374 53.050 -0.033 0.000 0.824 223 N CB 1.482 39.961 38.487 -0.013 0.000 1.395 223 N HN 0.271 nan 8.380 nan 0.000 0.526 224 L N 1.308 122.519 121.223 -0.019 0.000 2.346 224 L HA 0.458 4.798 4.340 -0.001 0.000 0.276 224 L C -0.069 176.795 176.870 -0.010 0.000 1.006 224 L CA -0.725 54.103 54.840 -0.019 0.000 0.817 224 L CB 1.643 43.698 42.059 -0.007 0.000 1.272 224 L HN 0.271 nan 8.230 nan 0.000 0.421 225 M N 1.298 120.888 119.600 -0.016 0.000 2.247 225 M HA 0.100 4.580 4.480 -0.001 0.000 0.326 225 M C 1.032 177.332 176.300 0.000 0.000 1.134 225 M CA 0.039 55.332 55.300 -0.011 0.000 1.136 225 M CB 0.798 33.387 32.600 -0.018 0.000 1.454 225 M HN 0.549 nan 8.290 nan 0.000 0.467 226 D N 1.197 121.601 120.400 0.007 0.000 2.133 226 D HA -0.207 4.433 4.640 -0.001 0.000 0.195 226 D C 1.176 177.484 176.300 0.013 0.000 0.997 226 D CA 1.806 55.816 54.000 0.017 0.000 0.840 226 D CB -0.071 40.743 40.800 0.023 0.000 0.947 226 D HN 0.623 nan 8.370 nan 0.000 0.452 227 D N 0.871 121.275 120.400 0.007 0.000 2.183 227 D HA -0.144 4.496 4.640 -0.001 0.000 0.203 227 D C 1.584 177.885 176.300 0.002 0.000 0.969 227 D CA 0.746 54.749 54.000 0.005 0.000 0.842 227 D CB -0.556 40.245 40.800 0.002 0.000 0.957 227 D HN 0.303 nan 8.370 nan 0.000 0.484 228 E N 0.561 120.760 120.200 -0.002 0.000 2.112 228 E HA 0.030 4.380 4.350 -0.001 0.000 0.190 228 E C 2.220 178.820 176.600 0.000 0.000 0.979 228 E CA 0.809 57.206 56.400 -0.005 0.000 0.814 228 E CB -0.023 29.669 29.700 -0.013 0.000 0.762 228 E HN 0.370 nan 8.360 nan 0.000 0.460 229 A N 1.563 124.386 122.820 0.005 0.000 1.930 229 A HA -0.201 4.119 4.320 -0.001 0.000 0.217 229 A C 1.920 179.513 177.584 0.014 0.000 1.175 229 A CA 1.181 53.225 52.037 0.011 0.000 0.627 229 A CB -0.284 18.726 19.000 0.018 0.000 0.815 229 A HN 0.126 nan 8.150 nan 0.000 0.443 230 E N -0.267 119.942 120.200 0.015 0.000 2.072 230 E HA -0.117 4.233 4.350 -0.001 0.000 0.191 230 E C 2.329 178.936 176.600 0.012 0.000 0.985 230 E CA 0.905 57.315 56.400 0.016 0.000 0.801 230 E CB -0.253 29.456 29.700 0.017 0.000 0.750 230 E HN 0.613 nan 8.360 nan 0.000 0.452 231 A N 1.178 124.003 122.820 0.009 0.000 1.902 231 A HA -0.159 4.160 4.320 -0.001 0.000 0.217 231 A C 2.139 179.727 177.584 0.007 0.000 1.181 231 A CA 0.952 52.993 52.037 0.007 0.000 0.623 231 A CB -0.434 18.568 19.000 0.003 0.000 0.818 231 A HN 0.204 nan 8.150 nan 0.000 0.443 232 L N -0.269 120.958 121.223 0.007 0.000 2.056 232 L HA -0.057 4.282 4.340 -0.001 0.000 0.207 232 L C 2.371 179.247 176.870 0.009 0.000 1.078 232 L CA 1.642 56.486 54.840 0.007 0.000 0.749 232 L CB -0.429 41.633 42.059 0.005 0.000 0.901 232 L HN 0.141 nan 8.230 nan 0.000 0.433 233 V N -0.038 119.884 119.914 0.012 0.000 2.343 233 V HA -0.197 3.923 4.120 -0.001 0.000 0.247 233 V C 2.575 178.677 176.094 0.014 0.000 1.051 233 V CA 1.756 64.065 62.300 0.015 0.000 1.036 233 V CB -1.473 30.362 31.823 0.020 0.000 0.654 233 V HN 0.623 nan 8.190 nan 0.000 0.451 234 G N -0.621 108.187 108.800 0.013 0.000 2.448 234 G HA2 -0.217 3.743 3.960 -0.001 0.000 0.219 234 G HA3 -0.217 3.743 3.960 -0.001 0.000 0.219 234 G C 1.668 176.574 174.900 0.010 0.000 1.127 234 G CA 0.710 45.816 45.100 0.011 0.000 0.766 234 G HN 0.492 nan 8.290 nan 0.000 0.552 235 K N -0.989 119.417 120.400 0.009 0.000 2.308 235 K HA 0.121 4.440 4.320 -0.001 0.000 0.197 235 K C -0.400 176.205 176.600 0.008 0.000 1.049 235 K CA 0.329 56.621 56.287 0.008 0.000 0.991 235 K CB 0.558 33.063 32.500 0.008 0.000 0.836 235 K HN 0.155 nan 8.250 nan 0.000 0.500 236 D N -0.625 119.781 120.400 0.009 0.000 2.738 236 D HA 0.187 4.827 4.640 -0.001 0.000 0.218 236 D C -0.290 176.016 176.300 0.010 0.000 1.345 236 D CA -0.272 53.733 54.000 0.009 0.000 0.943 236 D CB 1.261 42.067 40.800 0.009 0.000 1.514 236 D HN -0.289 nan 8.370 nan 0.000 0.585 237 R N 1.146 121.652 120.500 0.010 0.000 2.276 237 R HA 0.176 4.516 4.340 -0.001 0.000 0.196 237 R C 0.472 176.782 176.300 0.016 0.000 0.961 237 R CA 0.689 56.798 56.100 0.016 0.000 1.024 237 R CB 0.418 30.729 30.300 0.017 0.000 0.940 237 R HN 0.317 nan 8.270 nan 0.000 0.480 238 E N -0.588 119.618 120.200 0.010 0.000 2.609 238 E HA 0.083 4.433 4.350 -0.001 0.000 0.208 238 E C 0.669 177.277 176.600 0.014 0.000 1.013 238 E CA 0.151 56.558 56.400 0.011 0.000 1.093 238 E CB 0.649 30.345 29.700 -0.008 0.000 1.129 238 E HN 0.207 nan 8.360 nan 0.000 0.450 239 S N -0.194 115.509 115.700 0.005 0.000 2.383 239 S HA -0.150 4.320 4.470 -0.001 0.000 0.229 239 S C 1.986 176.580 174.600 -0.011 0.000 1.030 239 S CA 1.329 59.531 58.200 0.003 0.000 1.002 239 S CB -0.137 63.061 63.200 -0.004 0.000 0.829 239 S HN 0.099 nan 8.310 nan 0.000 0.467 240 S N 1.403 117.056 115.700 -0.077 0.000 2.414 240 S HA -0.013 4.456 4.470 -0.001 0.000 0.227 240 S C 1.996 176.612 174.600 0.026 0.000 1.022 240 S CA 1.057 59.138 58.200 -0.199 0.000 0.958 240 S CB -0.367 62.407 63.200 -0.710 0.000 0.797 240 S HN 0.646 nan 8.310 nan 0.000 0.493 241 Q N 2.191 122.059 119.800 0.113 0.000 2.083 241 Q HA 0.067 4.407 4.340 -0.001 0.000 0.198 241 Q C 2.064 178.181 176.000 0.195 0.000 0.969 241 Q CA 1.424 57.350 55.803 0.205 0.000 0.838 241 Q CB -0.294 28.526 28.738 0.137 0.000 0.900 241 Q HN 0.423 nan 8.270 nan 0.000 0.436 242 R N 0.152 120.724 120.500 0.121 0.000 2.081 242 R HA -0.156 4.183 4.340 -0.001 0.000 0.235 242 R C 1.944 178.352 176.300 0.179 0.000 1.131 242 R CA 1.763 57.940 56.100 0.128 0.000 0.960 242 R CB -0.492 29.852 30.300 0.073 0.000 0.856 242 R HN 0.514 nan 8.270 nan 0.000 0.436 243 D N 0.182 120.670 120.400 0.146 0.000 2.097 243 D HA -0.188 4.451 4.640 -0.001 0.000 0.195 243 D C 1.941 178.352 176.300 0.185 0.000 0.989 243 D CA 1.103 55.193 54.000 0.151 0.000 0.827 243 D CB 0.117 40.990 40.800 0.120 0.000 0.966 243 D HN 0.217 nan 8.370 nan 0.000 0.456 244 L N 0.010 121.372 121.223 0.232 0.000 2.056 244 L HA -0.045 4.295 4.340 -0.001 0.000 0.207 244 L C 2.258 179.290 176.870 0.270 0.000 1.078 244 L CA 1.295 56.295 54.840 0.268 0.000 0.749 244 L CB -0.933 41.348 42.059 0.371 0.000 0.901 244 L HN 0.017 nan 8.230 nan 0.000 0.433 245 F N 0.657 120.708 119.950 0.168 0.000 2.075 245 F HA -0.210 4.317 4.527 -0.001 0.000 0.297 245 F C 2.403 178.286 175.800 0.138 0.000 1.113 245 F CA 2.045 60.139 58.000 0.156 0.000 1.218 245 F CB -0.141 38.943 39.000 0.140 0.000 0.984 245 F HN 0.167 nan 8.300 nan 0.000 0.472 246 E N -0.151 120.254 120.200 0.342 0.000 2.204 246 E HA -0.174 4.176 4.350 -0.001 0.000 0.195 246 E C 2.198 178.870 176.600 0.120 0.000 0.990 246 E CA 0.739 57.272 56.400 0.222 0.000 0.821 246 E CB -0.287 29.538 29.700 0.209 0.000 0.750 246 E HN 0.510 nan 8.360 nan 0.000 0.477 247 A N 0.910 123.802 122.820 0.119 0.000 1.897 247 A HA -0.085 4.234 4.320 -0.001 0.000 0.215 247 A C 2.089 179.730 177.584 0.095 0.000 1.181 247 A CA 0.735 52.826 52.037 0.090 0.000 0.620 247 A CB -0.276 18.780 19.000 0.093 0.000 0.821 247 A HN 0.112 nan 8.150 nan 0.000 0.443 248 I N -0.742 119.897 120.570 0.115 0.000 2.439 248 I HA -0.167 4.003 4.170 -0.001 0.000 0.251 248 I C 2.444 178.637 176.117 0.127 0.000 1.139 248 I CA 1.319 62.739 61.300 0.200 0.000 1.438 248 I CB -0.176 37.888 38.000 0.106 0.000 1.085 248 I HN 0.486 nan 8.210 nan 0.000 0.427 249 E N 1.822 122.006 120.200 -0.027 0.000 2.106 249 E HA -0.233 4.117 4.350 -0.001 0.000 0.192 249 E C 2.107 178.718 176.600 0.019 0.000 0.984 249 E CA 0.965 57.342 56.400 -0.038 0.000 0.806 249 E CB 0.111 29.781 29.700 -0.051 0.000 0.750 249 E HN 0.494 nan 8.360 nan 0.000 0.458 250 R N -1.205 119.303 120.500 0.013 0.000 2.317 250 R HA 0.183 4.522 4.340 -0.001 0.000 0.208 250 R C 1.196 177.436 176.300 -0.100 0.000 0.914 250 R CA 0.719 56.809 56.100 -0.018 0.000 1.060 250 R CB 0.363 30.663 30.300 -0.000 0.000 1.015 250 R HN 0.169 nan 8.270 nan 0.000 0.498 251 G N 1.181 109.872 108.800 -0.182 0.000 2.175 251 G HA2 -0.273 3.687 3.960 -0.001 0.000 0.244 251 G HA3 -0.273 3.687 3.960 -0.001 0.000 0.244 251 G C -0.339 174.130 174.900 -0.719 0.000 0.982 251 G CA 0.192 44.938 45.100 -0.589 0.000 0.641 251 G HN 0.458 nan 8.290 nan 0.000 0.527 252 D N 1.005 121.224 120.400 -0.302 0.000 2.619 252 D HA 0.368 5.007 4.640 -0.001 0.000 0.224 252 D C 0.154 176.445 176.300 -0.016 0.000 1.133 252 D CA -0.593 53.312 54.000 -0.159 0.000 1.017 252 D CB -0.578 40.190 40.800 -0.054 0.000 1.077 252 D HN 0.260 nan 8.370 nan 0.000 0.503 253 Y N 2.700 123.005 120.300 0.008 0.000 2.605 253 Y HA 0.195 4.745 4.550 -0.001 0.000 0.336 253 Y C -1.483 174.407 175.900 -0.017 0.000 1.111 253 Y CA -3.056 55.060 58.100 0.026 0.000 1.422 253 Y CB -0.482 38.014 38.460 0.061 0.000 1.193 253 Y HN 0.250 nan 8.280 nan 0.000 0.526 254 P HA 0.206 nan 4.420 nan 0.000 0.271 254 P C -0.336 176.890 177.300 -0.123 0.000 1.216 254 P CA -0.317 62.713 63.100 -0.117 0.000 0.771 254 P CB 1.291 32.929 31.700 -0.104 0.000 0.864 255 R N 2.864 123.130 120.500 -0.390 0.000 2.740 255 R HA 0.580 4.919 4.340 -0.001 0.000 0.282 255 R C -1.302 174.699 176.300 -0.498 0.000 0.969 255 R CA -0.610 55.341 56.100 -0.247 0.000 0.918 255 R CB 1.522 31.756 30.300 -0.111 0.000 1.175 255 R HN 0.543 nan 8.270 nan 0.000 0.464 256 W N 2.682 123.830 121.300 -0.254 0.000 3.129 256 W HA 0.352 5.012 4.660 -0.001 0.000 0.333 256 W C -0.747 175.864 176.519 0.153 0.000 1.141 256 W CA -0.724 56.567 57.345 -0.091 0.000 1.224 256 W CB 2.232 31.588 29.460 -0.173 0.000 1.393 256 W HN 0.350 nan 8.180 nan 0.000 0.499 257 K N 2.692 123.334 120.400 0.404 0.000 2.234 257 K HA 0.320 4.640 4.320 -0.001 0.000 0.277 257 K C -0.443 176.353 176.600 0.326 0.000 1.038 257 K CA -0.896 55.606 56.287 0.359 0.000 0.888 257 K CB 1.621 34.238 32.500 0.196 0.000 1.091 257 K HN 0.207 nan 8.250 nan 0.000 0.467 258 L N 4.038 125.471 121.223 0.350 0.000 2.313 258 L HA 0.161 4.501 4.340 -0.001 0.000 0.282 258 L C -0.821 176.072 176.870 0.039 0.000 1.092 258 L CA 0.629 55.492 54.840 0.039 0.000 0.831 258 L CB 0.613 42.781 42.059 0.181 0.000 1.159 258 L HN 0.562 nan 8.230 nan 0.000 0.442 259 Q N 5.787 125.556 119.800 -0.051 0.000 2.377 259 Q HA 0.683 5.023 4.340 -0.001 0.000 0.271 259 Q C -1.039 174.966 176.000 0.008 0.000 1.077 259 Q CA -0.761 55.024 55.803 -0.029 0.000 0.820 259 Q CB 2.874 31.564 28.738 -0.079 0.000 1.347 259 Q HN 0.778 nan 8.270 nan 0.000 0.444 260 I N -2.019 118.548 120.570 -0.005 0.000 2.892 260 I HA 0.527 4.697 4.170 -0.001 0.000 0.306 260 I C -1.008 175.086 176.117 -0.037 0.000 1.078 260 I CA -1.078 60.223 61.300 0.003 0.000 1.032 260 I CB 2.144 40.131 38.000 -0.021 0.000 1.229 260 I HN 0.433 nan 8.210 nan 0.000 0.435 261 Q N 3.571 123.364 119.800 -0.011 0.000 2.333 261 Q HA 0.583 4.923 4.340 -0.001 0.000 0.268 261 Q C -1.405 174.657 176.000 0.104 0.000 1.007 261 Q CA -0.685 55.178 55.803 0.100 0.000 0.810 261 Q CB 3.003 31.895 28.738 0.256 0.000 1.264 261 Q HN 0.603 nan 8.270 nan 0.000 0.452 262 I N 2.775 123.369 120.570 0.038 0.000 2.441 262 I HA 0.422 4.591 4.170 -0.001 0.000 0.295 262 I C -0.906 175.196 176.117 -0.025 0.000 0.994 262 I CA -0.348 60.900 61.300 -0.088 0.000 1.144 262 I CB 1.428 39.076 38.000 -0.587 0.000 1.314 262 I HN 0.600 nan 8.210 nan 0.000 0.445 263 M N 9.332 128.913 119.600 -0.032 0.000 2.124 263 M HA 0.537 5.017 4.480 -0.001 0.000 0.280 263 M C -2.731 173.627 176.300 0.095 0.000 0.954 263 M CA -1.660 53.525 55.300 -0.191 0.000 0.958 263 M CB 1.976 34.084 32.600 -0.820 0.000 1.611 263 M HN 0.209 nan 8.290 nan 0.000 0.449 264 P HA 0.017 nan 4.420 nan 0.000 0.266 264 P C 0.181 177.440 177.300 -0.069 0.000 1.195 264 P CA 0.349 63.474 63.100 0.042 0.000 0.768 264 P CB 0.564 32.326 31.700 0.104 0.000 0.838 265 E N 4.011 124.033 120.200 -0.298 0.000 2.108 265 E HA -0.342 4.007 4.350 -0.001 0.000 0.203 265 E C 1.496 178.142 176.600 0.077 0.000 1.022 265 E CA 2.039 58.312 56.400 -0.210 0.000 0.823 265 E CB -0.005 29.473 29.700 -0.369 0.000 0.744 265 E HN 0.460 nan 8.360 nan 0.000 0.456 266 K N 0.055 120.451 120.400 -0.005 0.000 2.147 266 K HA -0.165 4.155 4.320 -0.001 0.000 0.205 266 K C 1.697 178.320 176.600 0.037 0.000 1.049 266 K CA 1.675 57.975 56.287 0.022 0.000 0.936 266 K CB -0.183 32.312 32.500 -0.009 0.000 0.722 266 K HN 0.173 nan 8.250 nan 0.000 0.446 267 E N 0.725 120.948 120.200 0.039 0.000 2.418 267 E HA -0.066 4.284 4.350 -0.001 0.000 0.197 267 E C 1.871 178.437 176.600 -0.057 0.000 1.026 267 E CA 0.559 56.964 56.400 0.007 0.000 0.862 267 E CB -0.013 29.714 29.700 0.045 0.000 0.799 267 E HN 0.526 nan 8.360 nan 0.000 0.518 268 A N 1.235 124.060 122.820 0.009 0.000 2.066 268 A HA -0.117 4.202 4.320 -0.001 0.000 0.218 268 A C 2.211 179.723 177.584 -0.120 0.000 1.157 268 A CA 1.392 53.362 52.037 -0.111 0.000 0.670 268 A CB -0.154 18.880 19.000 0.057 0.000 0.804 268 A HN 0.268 nan 8.150 nan 0.000 0.453 269 S N -1.303 114.374 115.700 -0.038 0.000 2.575 269 S HA -0.000 4.469 4.470 -0.001 0.000 0.215 269 S C 1.346 175.897 174.600 -0.083 0.000 0.966 269 S CA 0.937 59.110 58.200 -0.045 0.000 0.911 269 S CB -0.426 62.774 63.200 0.000 0.000 0.780 269 S HN 0.680 nan 8.310 nan 0.000 0.514 270 T N -0.473 114.016 114.554 -0.110 0.000 2.985 270 T HA 0.297 4.646 4.350 -0.001 0.000 0.254 270 T C 0.529 175.116 174.700 -0.189 0.000 1.021 270 T CA 0.239 62.270 62.100 -0.115 0.000 0.957 270 T CB -0.562 68.261 68.868 -0.074 0.000 1.047 270 T HN 0.378 nan 8.240 nan 0.000 0.511 271 V N 1.259 120.987 119.914 -0.310 0.000 2.614 271 V HA 0.412 4.531 4.120 -0.001 0.000 0.291 271 V C -1.317 174.443 176.094 -0.557 0.000 1.049 271 V CA -1.771 60.197 62.300 -0.555 0.000 1.038 271 V CB 0.531 31.780 31.823 -0.956 0.000 0.980 271 V HN 0.090 nan 8.190 nan 0.000 0.481 272 P HA 0.118 nan 4.420 nan 0.000 0.258 272 P C -0.572 176.683 177.300 -0.074 0.000 1.319 272 P CA 0.666 63.649 63.100 -0.194 0.000 0.785 272 P CB -0.612 31.065 31.700 -0.038 0.000 1.252 273 Y N -3.221 117.045 120.300 -0.057 0.000 2.715 273 Y HA 0.618 5.167 4.550 -0.001 0.000 0.331 273 Y C -0.329 175.518 175.900 -0.087 0.000 1.197 273 Y CA -2.021 56.048 58.100 -0.052 0.000 1.079 273 Y CB -0.132 38.316 38.460 -0.021 0.000 1.298 273 Y HN -0.368 nan 8.280 nan 0.000 0.477 274 N N 2.857 121.658 118.700 0.168 0.000 2.437 274 N HA 0.311 5.051 4.740 -0.001 0.000 0.243 274 N C -2.037 173.514 175.510 0.068 0.000 1.041 274 N CA -2.764 50.314 53.050 0.046 0.000 0.940 274 N CB 1.052 39.585 38.487 0.076 0.000 1.133 274 N HN 0.516 nan 8.380 nan 0.000 0.506 275 P HA 0.037 nan 4.420 nan 0.000 0.242 275 P C -0.111 177.006 177.300 -0.304 0.000 1.197 275 P CA 0.556 63.566 63.100 -0.150 0.000 0.765 275 P CB -0.044 31.269 31.700 -0.644 0.000 0.936 276 F N -0.630 119.350 119.950 0.051 0.000 2.668 276 F HA 0.286 4.813 4.527 -0.001 0.000 0.301 276 F C 0.747 176.546 175.800 -0.002 0.000 1.106 276 F CA -1.186 56.786 58.000 -0.047 0.000 1.289 276 F CB -0.233 38.671 39.000 -0.160 0.000 1.006 276 F HN -0.165 nan 8.300 nan 0.000 0.535 277 D N 1.352 121.834 120.400 0.138 0.000 2.316 277 D HA 0.074 4.714 4.640 -0.001 0.000 0.245 277 D C 1.141 177.488 176.300 0.079 0.000 1.171 277 D CA -0.002 54.063 54.000 0.109 0.000 0.856 277 D CB 1.419 42.278 40.800 0.099 0.000 1.090 277 D HN 0.135 nan 8.370 nan 0.000 0.476 278 L N 4.162 125.436 121.223 0.085 0.000 2.275 278 L HA -0.082 4.258 4.340 -0.001 0.000 0.215 278 L C 2.134 179.025 176.870 0.035 0.000 1.119 278 L CA 1.676 56.549 54.840 0.054 0.000 0.790 278 L CB -0.529 41.597 42.059 0.112 0.000 0.919 278 L HN 0.576 nan 8.230 nan 0.000 0.443 279 T N -4.209 110.389 114.554 0.073 0.000 3.129 279 T HA 0.111 4.460 4.350 -0.001 0.000 0.251 279 T C 0.746 175.549 174.700 0.172 0.000 1.117 279 T CA -0.018 62.139 62.100 0.095 0.000 1.034 279 T CB -0.150 68.789 68.868 0.119 0.000 0.968 279 T HN 0.196 nan 8.240 nan 0.000 0.526 280 K N 0.884 121.345 120.400 0.102 0.000 2.350 280 K HA 0.694 5.014 4.320 -0.001 0.000 0.241 280 K C -0.790 175.827 176.600 0.030 0.000 0.994 280 K CA -1.093 55.256 56.287 0.104 0.000 0.839 280 K CB 2.790 35.322 32.500 0.055 0.000 1.244 280 K HN 0.118 nan 8.250 nan 0.000 0.443 281 V N -2.340 117.599 119.914 0.042 0.000 3.046 281 V HA 0.613 4.732 4.120 -0.001 0.000 0.316 281 V C -1.373 174.779 176.094 0.098 0.000 1.104 281 V CA -1.009 61.294 62.300 0.004 0.000 1.006 281 V CB 1.369 33.219 31.823 0.046 0.000 1.058 281 V HN 0.625 nan 8.190 nan 0.000 0.440 282 W N 0.897 122.182 121.300 -0.025 0.000 2.390 282 W HA 0.662 5.321 4.660 -0.001 0.000 0.312 282 W C -2.460 174.127 176.519 0.115 0.000 1.123 282 W CA -2.627 54.715 57.345 -0.005 0.000 1.202 282 W CB 0.133 29.678 29.460 0.142 0.000 1.251 282 W HN 0.419 nan 8.180 nan 0.000 0.511 283 P HA 0.000 nan 4.420 nan 0.000 0.268 283 P C 0.652 178.167 177.300 0.357 0.000 1.205 283 P CA 0.303 63.546 63.100 0.239 0.000 0.771 283 P CB 0.823 32.592 31.700 0.115 0.000 0.858 284 H N 1.679 120.811 119.070 0.103 0.000 2.457 284 H HA -0.026 4.530 4.556 -0.001 0.000 0.294 284 H C 1.875 177.222 175.328 0.032 0.000 1.064 284 H CA 1.629 57.721 56.048 0.074 0.000 1.330 284 H CB -0.787 28.998 29.762 0.039 0.000 1.395 284 H HN 0.429 nan 8.280 nan 0.000 0.541 285 A N 0.357 123.260 122.820 0.139 0.000 2.015 285 A HA -0.116 4.203 4.320 -0.001 0.000 0.219 285 A C 1.559 179.117 177.584 -0.043 0.000 1.163 285 A CA 1.762 53.824 52.037 0.042 0.000 0.646 285 A CB 0.003 19.022 19.000 0.030 0.000 0.806 285 A HN 0.272 nan 8.150 nan 0.000 0.448 286 D N -2.160 118.192 120.400 -0.080 0.000 2.269 286 D HA 0.115 4.755 4.640 -0.001 0.000 0.220 286 D C -0.517 175.359 176.300 -0.706 0.000 0.962 286 D CA 1.068 54.850 54.000 -0.364 0.000 0.884 286 D CB 0.002 40.633 40.800 -0.281 0.000 1.023 286 D HN 0.446 nan 8.370 nan 0.000 0.484 287 Y N 0.832 121.192 120.300 0.099 0.000 2.488 287 Y HA 0.325 4.874 4.550 -0.001 0.000 0.330 287 Y C -2.283 173.640 175.900 0.038 0.000 1.013 287 Y CA -2.633 55.520 58.100 0.089 0.000 1.304 287 Y CB 1.596 40.165 38.460 0.181 0.000 1.098 287 Y HN -0.142 nan 8.280 nan 0.000 0.498 288 P HA 0.118 nan 4.420 nan 0.000 0.274 288 P C -0.647 176.598 177.300 -0.092 0.000 1.231 288 P CA -0.399 62.680 63.100 -0.036 0.000 0.790 288 P CB 1.628 33.320 31.700 -0.013 0.000 0.951 289 L N 2.668 123.762 121.223 -0.216 0.000 2.313 289 L HA 0.267 4.607 4.340 -0.001 0.000 0.282 289 L C 0.909 177.700 176.870 -0.131 0.000 1.092 289 L CA 0.686 55.387 54.840 -0.233 0.000 0.831 289 L CB -0.313 41.527 42.059 -0.365 0.000 1.159 289 L HN 0.300 nan 8.230 nan 0.000 0.442 290 M N 2.730 122.273 119.600 -0.094 0.000 2.336 290 M HA 0.330 4.809 4.480 -0.001 0.000 0.342 290 M C -0.504 175.738 176.300 -0.097 0.000 1.128 290 M CA -0.744 54.509 55.300 -0.079 0.000 1.016 290 M CB 1.464 34.054 32.600 -0.016 0.000 1.665 290 M HN 0.439 nan 8.290 nan 0.000 0.445 291 D N 1.743 122.028 120.400 -0.192 0.000 2.382 291 D HA 0.148 4.788 4.640 -0.001 0.000 0.245 291 D C 0.420 176.672 176.300 -0.079 0.000 1.120 291 D CA 0.129 54.012 54.000 -0.194 0.000 0.890 291 D CB 2.013 42.565 40.800 -0.413 0.000 1.201 291 D HN 0.310 nan 8.370 nan 0.000 0.433 292 V N 0.551 120.528 119.914 0.104 0.000 3.054 292 V HA 0.424 4.544 4.120 -0.001 0.000 0.227 292 V C 0.889 177.170 176.094 0.312 0.000 1.252 292 V CA 0.797 63.213 62.300 0.193 0.000 1.279 292 V CB 0.544 32.448 31.823 0.134 0.000 1.118 292 V HN 0.763 nan 8.190 nan 0.000 0.504 293 G N -0.615 108.384 108.800 0.330 0.000 2.428 293 G HA2 0.496 4.456 3.960 -0.001 0.000 0.305 293 G HA3 0.496 4.456 3.960 -0.001 0.000 0.305 293 G C -2.052 173.005 174.900 0.263 0.000 1.260 293 G CA 0.056 45.254 45.100 0.163 0.000 0.853 293 G HN 0.458 nan 8.290 nan 0.000 0.480 294 Y N -1.270 118.967 120.300 -0.105 0.000 2.615 294 Y HA 0.854 5.404 4.550 -0.001 0.000 0.341 294 Y C -1.164 174.904 175.900 0.279 0.000 1.089 294 Y CA -2.181 56.026 58.100 0.179 0.000 1.049 294 Y CB 1.792 40.320 38.460 0.114 0.000 1.296 294 Y HN 1.110 nan 8.280 nan 0.000 0.470 295 F N 0.214 120.511 119.950 0.578 0.000 2.565 295 F HA 0.815 5.342 4.527 -0.001 0.000 0.313 295 F C -1.371 174.750 175.800 0.534 0.000 1.091 295 F CA -1.101 57.205 58.000 0.511 0.000 0.915 295 F CB 2.187 41.590 39.000 0.672 0.000 1.208 295 F HN 0.721 nan 8.300 nan 0.000 0.453 296 E N 4.288 124.797 120.200 0.515 0.000 2.266 296 E HA 0.587 4.936 4.350 -0.001 0.000 0.268 296 E C -1.861 174.945 176.600 0.343 0.000 0.879 296 E CA -1.027 55.594 56.400 0.368 0.000 0.762 296 E CB 2.496 32.388 29.700 0.319 0.000 1.199 296 E HN 0.835 nan 8.360 nan 0.000 0.422 297 L N 3.768 125.177 121.223 0.310 0.000 2.268 297 L HA 0.278 4.618 4.340 -0.001 0.000 0.289 297 L C 0.027 176.869 176.870 -0.047 0.000 1.064 297 L CA -0.562 54.392 54.840 0.190 0.000 0.824 297 L CB 0.083 42.300 42.059 0.264 0.000 1.202 297 L HN 0.691 nan 8.230 nan 0.000 0.433 298 N N 1.988 120.538 118.700 -0.250 0.000 2.171 298 N HA 0.091 4.830 4.740 -0.001 0.000 0.212 298 N C 0.170 175.424 175.510 -0.426 0.000 1.184 298 N CA -0.412 52.145 53.050 -0.821 0.000 0.888 298 N CB 0.586 38.513 38.487 -0.933 0.000 1.038 298 N HN 0.440 nan 8.380 nan 0.000 0.517 299 R N 0.180 120.620 120.500 -0.100 0.000 2.533 299 R HA 0.341 4.681 4.340 -0.001 0.000 0.288 299 R C -1.554 174.825 176.300 0.132 0.000 1.039 299 R CA -0.526 55.584 56.100 0.017 0.000 0.909 299 R CB 0.990 31.312 30.300 0.037 0.000 1.195 299 R HN 0.107 nan 8.270 nan 0.000 0.438 300 N N 4.113 122.850 118.700 0.061 0.000 2.530 300 N HA 0.219 4.959 4.740 -0.001 0.000 0.273 300 N C -2.394 173.275 175.510 0.264 0.000 1.173 300 N CA -1.296 51.809 53.050 0.093 0.000 0.967 300 N CB 1.020 39.379 38.487 -0.213 0.000 1.109 300 N HN 0.312 nan 8.380 nan 0.000 0.453 301 P HA 0.014 nan 4.420 nan 0.000 0.269 301 P C -0.137 177.349 177.300 0.310 0.000 1.209 301 P CA -0.113 63.258 63.100 0.451 0.000 0.776 301 P CB 0.689 32.630 31.700 0.402 0.000 0.876 302 D N 0.047 120.577 120.400 0.216 0.000 2.117 302 D HA -0.074 4.565 4.640 -0.001 0.000 0.198 302 D C 0.474 176.885 176.300 0.185 0.000 0.982 302 D CA 1.639 55.734 54.000 0.159 0.000 0.828 302 D CB 0.007 40.850 40.800 0.073 0.000 0.967 302 D HN 0.355 nan 8.370 nan 0.000 0.464 303 N N -0.866 117.945 118.700 0.186 0.000 2.371 303 N HA -0.029 4.710 4.740 -0.001 0.000 0.291 303 N C -0.091 175.556 175.510 0.228 0.000 1.053 303 N CA -0.355 52.816 53.050 0.201 0.000 0.870 303 N CB 1.514 40.096 38.487 0.158 0.000 1.503 303 N HN -0.145 nan 8.380 nan 0.000 0.485 304 Y N 4.121 124.521 120.300 0.166 0.000 2.145 304 Y HA -0.186 4.364 4.550 -0.001 0.000 0.286 304 Y C 1.803 177.793 175.900 0.151 0.000 1.145 304 Y CA 1.750 59.946 58.100 0.160 0.000 1.148 304 Y CB -0.147 38.403 38.460 0.150 0.000 0.981 304 Y HN 0.676 nan 8.280 nan 0.000 0.507 305 F N 0.168 120.224 119.950 0.177 0.000 2.075 305 F HA -0.223 4.303 4.527 -0.001 0.000 0.297 305 F C 2.504 178.281 175.800 -0.038 0.000 1.113 305 F CA 2.167 60.212 58.000 0.074 0.000 1.218 305 F CB -0.814 38.247 39.000 0.101 0.000 0.984 305 F HN -0.045 nan 8.300 nan 0.000 0.472 306 S N -0.008 115.741 115.700 0.083 0.000 2.368 306 S HA -0.187 4.282 4.470 -0.001 0.000 0.225 306 S C 1.524 176.005 174.600 -0.198 0.000 1.030 306 S CA 1.604 59.770 58.200 -0.057 0.000 0.999 306 S CB -0.354 62.881 63.200 0.059 0.000 0.844 306 S HN 0.499 nan 8.310 nan 0.000 0.459 307 D N -0.058 120.234 120.400 -0.180 0.000 2.323 307 D HA 0.125 4.765 4.640 -0.001 0.000 0.218 307 D C 1.835 177.857 176.300 -0.462 0.000 0.973 307 D CA 0.611 54.430 54.000 -0.301 0.000 0.890 307 D CB 0.117 40.856 40.800 -0.101 0.000 1.011 307 D HN 0.278 nan 8.370 nan 0.000 0.499 308 V N 0.599 120.271 119.914 -0.404 0.000 2.627 308 V HA -0.026 4.093 4.120 -0.001 0.000 0.239 308 V C 2.251 178.098 176.094 -0.412 0.000 1.077 308 V CA 0.650 62.717 62.300 -0.388 0.000 1.103 308 V CB -0.041 31.349 31.823 -0.721 0.000 0.802 308 V HN -0.056 nan 8.190 nan 0.000 0.482 309 E N 0.893 120.771 120.200 -0.537 0.000 2.106 309 E HA -0.194 4.156 4.350 -0.001 0.000 0.192 309 E C 2.108 178.475 176.600 -0.388 0.000 0.984 309 E CA 1.454 57.649 56.400 -0.340 0.000 0.806 309 E CB -0.156 29.421 29.700 -0.205 0.000 0.750 309 E HN 0.610 nan 8.360 nan 0.000 0.458 310 Q N -0.357 119.121 119.800 -0.536 0.000 2.403 310 Q HA 0.254 4.594 4.340 -0.001 0.000 0.203 310 Q C -0.250 175.528 176.000 -0.370 0.000 0.932 310 Q CA 0.157 55.671 55.803 -0.481 0.000 0.945 310 Q CB 0.562 28.970 28.738 -0.550 0.000 1.045 310 Q HN 0.187 nan 8.270 nan 0.000 0.511 311 A N 1.074 123.690 122.820 -0.339 0.000 2.450 311 A HA 0.488 4.807 4.320 -0.001 0.000 0.255 311 A C -0.181 177.190 177.584 -0.355 0.000 1.096 311 A CA 0.030 51.841 52.037 -0.378 0.000 0.778 311 A CB 0.286 19.142 19.000 -0.238 0.000 1.031 311 A HN 0.263 nan 8.150 nan 0.000 0.494 312 A N 2.793 125.271 122.820 -0.569 0.000 2.291 312 A HA 0.710 5.030 4.320 -0.001 0.000 0.311 312 A C -0.864 176.355 177.584 -0.608 0.000 1.224 312 A CA -0.373 51.236 52.037 -0.713 0.000 0.821 312 A CB 0.180 18.508 19.000 -1.121 0.000 1.172 312 A HN 0.638 nan 8.150 nan 0.000 0.494 313 F N 1.400 121.286 119.950 -0.108 0.000 2.469 313 F HA 0.718 5.245 4.527 -0.001 0.000 0.332 313 F C 0.774 176.667 175.800 0.154 0.000 1.103 313 F CA -0.205 57.776 58.000 -0.031 0.000 0.979 313 F CB 2.480 41.419 39.000 -0.101 0.000 1.137 313 F HN 0.472 nan 8.300 nan 0.000 0.463 314 S N 3.031 118.839 115.700 0.179 0.000 2.566 314 S HA 0.419 4.889 4.470 -0.001 0.000 0.273 314 S C -2.402 172.152 174.600 -0.076 0.000 1.157 314 S CA -1.331 56.864 58.200 -0.007 0.000 0.938 314 S CB 1.809 65.124 63.200 0.192 0.000 1.087 314 S HN 0.249 nan 8.310 nan 0.000 0.474 315 P HA 0.078 nan 4.420 nan 0.000 0.225 315 P C 1.059 178.516 177.300 0.261 0.000 1.148 315 P CA 0.848 63.974 63.100 0.043 0.000 0.779 315 P CB 0.131 31.794 31.700 -0.061 0.000 0.780 316 A N -0.566 122.340 122.820 0.145 0.000 2.014 316 A HA -0.104 4.215 4.320 -0.001 0.000 0.218 316 A C 1.081 178.862 177.584 0.328 0.000 1.163 316 A CA 0.736 52.929 52.037 0.260 0.000 0.652 316 A CB -1.302 17.773 19.000 0.126 0.000 0.808 316 A HN 0.255 nan 8.150 nan 0.000 0.449 317 N N 0.878 119.720 118.700 0.237 0.000 2.549 317 N HA 0.394 5.134 4.740 -0.001 0.000 0.267 317 N C -0.477 175.196 175.510 0.272 0.000 1.182 317 N CA -0.187 52.985 53.050 0.203 0.000 1.019 317 N CB 0.003 38.563 38.487 0.122 0.000 1.380 317 N HN 0.622 nan 8.380 nan 0.000 0.505 318 I N -1.626 119.088 120.570 0.241 0.000 2.910 318 I HA 0.683 4.852 4.170 -0.001 0.000 0.310 318 I C 0.082 176.223 176.117 0.039 0.000 1.043 318 I CA -1.359 60.044 61.300 0.173 0.000 1.053 318 I CB 1.357 39.376 38.000 0.032 0.000 1.242 318 I HN -0.088 nan 8.210 nan 0.000 0.452 319 V N -0.485 119.383 119.914 -0.078 0.000 2.919 319 V HA 0.695 4.814 4.120 -0.001 0.000 0.316 319 V C -2.728 173.270 176.094 -0.161 0.000 1.077 319 V CA -2.634 59.589 62.300 -0.129 0.000 0.977 319 V CB 0.978 32.707 31.823 -0.156 0.000 1.039 319 V HN 0.611 nan 8.190 nan 0.000 0.441 320 P HA 0.380 nan 4.420 nan 0.000 0.264 320 P C 0.905 178.166 177.300 -0.065 0.000 1.193 320 P CA 1.854 64.918 63.100 -0.060 0.000 0.763 320 P CB 0.814 32.531 31.700 0.029 0.000 0.810 321 G N 2.469 111.246 108.800 -0.039 0.000 2.238 321 G HA2 -0.176 3.784 3.960 -0.001 0.000 0.217 321 G HA3 -0.176 3.784 3.960 -0.001 0.000 0.217 321 G C -0.018 174.867 174.900 -0.025 0.000 0.996 321 G CA -0.382 44.682 45.100 -0.060 0.000 0.632 321 G HN 0.476 nan 8.290 nan 0.000 0.503 322 I N 1.081 121.623 120.570 -0.047 0.000 2.465 322 I HA 0.723 4.893 4.170 -0.001 0.000 0.291 322 I C 0.132 176.224 176.117 -0.041 0.000 1.014 322 I CA -0.682 60.652 61.300 0.056 0.000 1.093 322 I CB 2.021 39.886 38.000 -0.226 0.000 1.267 322 I HN 0.154 nan 8.210 nan 0.000 0.431 323 S N 3.886 119.598 115.700 0.020 0.000 2.880 323 S HA 0.712 5.182 4.470 -0.001 0.000 0.308 323 S C -0.824 173.754 174.600 -0.035 0.000 1.195 323 S CA -0.430 57.609 58.200 -0.268 0.000 0.866 323 S CB 0.978 64.040 63.200 -0.231 0.000 1.254 323 S HN 0.307 nan 8.310 nan 0.000 0.571 324 F N 1.802 121.922 119.950 0.284 0.000 2.355 324 F HA 0.783 5.309 4.527 -0.000 0.000 0.340 324 F C 0.987 176.935 175.800 0.246 0.000 1.067 324 F CA -0.320 57.816 58.000 0.226 0.000 1.116 324 F CB 0.143 39.203 39.000 0.101 0.000 1.582 324 F HN 0.623 nan 8.300 nan 0.000 0.512 325 S N -0.860 115.016 115.700 0.293 0.000 2.596 325 S HA 0.467 4.936 4.470 -0.001 0.000 0.270 325 S C -2.755 171.699 174.600 -0.243 0.000 1.155 325 S CA -1.151 57.075 58.200 0.044 0.000 0.827 325 S CB 1.847 65.030 63.200 -0.028 0.000 1.130 325 S HN 0.325 nan 8.310 nan 0.000 0.467 326 P HA 0.107 nan 4.420 nan 0.000 0.258 326 P C -0.369 176.694 177.300 -0.395 0.000 1.319 326 P CA 0.114 62.901 63.100 -0.520 0.000 0.785 326 P CB -0.594 30.703 31.700 -0.672 0.000 1.252 327 D N 1.422 121.645 120.400 -0.295 0.000 2.389 327 D HA -0.031 4.609 4.640 -0.001 0.000 0.263 327 D C 1.147 177.377 176.300 -0.116 0.000 1.255 327 D CA 0.222 54.165 54.000 -0.096 0.000 0.914 327 D CB 0.789 41.563 40.800 -0.043 0.000 1.116 327 D HN 0.003 nan 8.370 nan 0.000 0.502 328 K N 3.399 123.768 120.400 -0.052 0.000 2.127 328 K HA -0.187 4.133 4.320 -0.001 0.000 0.208 328 K C 1.898 178.475 176.600 -0.037 0.000 1.047 328 K CA 1.107 57.374 56.287 -0.033 0.000 0.927 328 K CB -0.008 32.504 32.500 0.019 0.000 0.716 328 K HN 0.538 nan 8.250 nan 0.000 0.450 329 M N 0.245 119.839 119.600 -0.010 0.000 2.156 329 M HA -0.097 4.383 4.480 -0.001 0.000 0.264 329 M C 2.305 178.508 176.300 -0.162 0.000 1.067 329 M CA 1.027 56.336 55.300 0.016 0.000 1.131 329 M CB -0.736 31.973 32.600 0.181 0.000 1.368 329 M HN 0.154 nan 8.290 nan 0.000 0.416 330 L N 0.965 121.925 121.223 -0.439 0.000 2.056 330 L HA -0.154 4.185 4.340 -0.001 0.000 0.207 330 L C 2.411 179.043 176.870 -0.397 0.000 1.078 330 L CA 1.811 56.212 54.840 -0.733 0.000 0.749 330 L CB -0.818 40.697 42.059 -0.906 0.000 0.901 330 L HN 0.265 nan 8.230 nan 0.000 0.433 331 Q N -0.194 119.436 119.800 -0.283 0.000 2.135 331 Q HA -0.131 4.209 4.340 -0.001 0.000 0.204 331 Q C 2.087 178.000 176.000 -0.144 0.000 0.981 331 Q CA 1.600 57.272 55.803 -0.219 0.000 0.856 331 Q CB -0.729 27.918 28.738 -0.151 0.000 0.902 331 Q HN 0.684 nan 8.270 nan 0.000 0.425 332 G N 0.586 109.329 108.800 -0.095 0.000 2.421 332 G HA2 -0.215 3.745 3.960 -0.001 0.000 0.217 332 G HA3 -0.215 3.745 3.960 -0.001 0.000 0.217 332 G C 1.506 176.414 174.900 0.014 0.000 1.143 332 G CA 0.120 45.213 45.100 -0.013 0.000 0.784 332 G HN 0.264 nan 8.290 nan 0.000 0.541 333 R N -0.143 120.325 120.500 -0.053 0.000 2.189 333 R HA 0.147 4.487 4.340 -0.001 0.000 0.223 333 R C 2.306 178.611 176.300 0.008 0.000 1.092 333 R CA 0.349 56.467 56.100 0.030 0.000 0.989 333 R CB -0.302 29.966 30.300 -0.053 0.000 0.876 333 R HN 0.341 nan 8.270 nan 0.000 0.457 334 L N -0.375 120.783 121.223 -0.107 0.000 2.275 334 L HA -0.122 4.217 4.340 -0.001 0.000 0.215 334 L C 1.982 178.858 176.870 0.011 0.000 1.119 334 L CA 0.846 55.601 54.840 -0.141 0.000 0.790 334 L CB -0.296 41.561 42.059 -0.336 0.000 0.919 334 L HN 0.158 nan 8.230 nan 0.000 0.443 335 F N -0.283 119.628 119.950 -0.065 0.000 2.298 335 F HA -0.021 4.505 4.527 -0.001 0.000 0.282 335 F C 2.707 178.494 175.800 -0.020 0.000 1.045 335 F CA 1.147 59.125 58.000 -0.036 0.000 1.280 335 F CB -0.478 38.497 39.000 -0.041 0.000 1.114 335 F HN -0.129 nan 8.300 nan 0.000 0.546 336 S N -0.185 115.367 115.700 -0.248 0.000 2.378 336 S HA -0.304 4.165 4.470 -0.001 0.000 0.229 336 S C 2.108 176.468 174.600 -0.400 0.000 1.052 336 S CA 2.294 60.275 58.200 -0.364 0.000 1.084 336 S CB -0.852 62.247 63.200 -0.169 0.000 0.950 336 S HN 0.520 nan 8.310 nan 0.000 0.440 337 Y N 1.304 121.370 120.300 -0.391 0.000 2.145 337 Y HA 0.034 4.583 4.550 -0.001 0.000 0.286 337 Y C 2.851 178.259 175.900 -0.820 0.000 1.145 337 Y CA 1.073 58.849 58.100 -0.542 0.000 1.148 337 Y CB -1.225 37.018 38.460 -0.363 0.000 0.981 337 Y HN 0.397 nan 8.280 nan 0.000 0.507 338 G N -0.673 107.950 108.800 -0.295 0.000 2.418 338 G HA2 -0.324 3.635 3.960 -0.001 0.000 0.217 338 G HA3 -0.324 3.635 3.960 -0.001 0.000 0.217 338 G C 1.288 176.056 174.900 -0.221 0.000 1.158 338 G CA 1.335 46.335 45.100 -0.167 0.000 0.771 338 G HN 0.414 nan 8.290 nan 0.000 0.545 339 D N 0.642 120.813 120.400 -0.382 0.000 2.117 339 D HA 0.026 4.666 4.640 -0.001 0.000 0.197 339 D C 2.675 178.835 176.300 -0.234 0.000 0.987 339 D CA 1.435 55.204 54.000 -0.384 0.000 0.829 339 D CB -0.304 40.002 40.800 -0.824 0.000 0.961 339 D HN 0.239 nan 8.370 nan 0.000 0.460 340 A N -0.821 121.815 122.820 -0.307 0.000 1.930 340 A HA -0.148 4.171 4.320 -0.001 0.000 0.217 340 A C 1.942 179.490 177.584 -0.059 0.000 1.175 340 A CA 1.565 53.492 52.037 -0.183 0.000 0.627 340 A CB -0.941 17.884 19.000 -0.291 0.000 0.815 340 A HN 0.474 nan 8.150 nan 0.000 0.443 341 H N -0.848 118.152 119.070 -0.116 0.000 2.357 341 H HA -0.029 4.527 4.556 -0.001 0.000 0.301 341 H C 2.387 177.617 175.328 -0.163 0.000 1.082 341 H CA 1.179 57.093 56.048 -0.224 0.000 1.342 341 H CB -0.008 29.476 29.762 -0.464 0.000 1.389 341 H HN 0.381 nan 8.280 nan 0.000 0.511 342 R N -0.073 120.470 120.500 0.073 0.000 2.120 342 R HA -0.178 4.162 4.340 -0.001 0.000 0.234 342 R C 1.926 178.291 176.300 0.107 0.000 1.123 342 R CA 1.497 57.668 56.100 0.118 0.000 0.975 342 R CB -0.220 30.148 30.300 0.112 0.000 0.866 342 R HN 0.414 nan 8.270 nan 0.000 0.446 343 Y N 1.056 121.351 120.300 -0.010 0.000 2.201 343 Y HA -0.054 4.496 4.550 -0.001 0.000 0.292 343 Y C 2.461 178.361 175.900 -0.001 0.000 1.119 343 Y CA 1.145 59.240 58.100 -0.007 0.000 1.127 343 Y CB -0.125 38.321 38.460 -0.024 0.000 1.019 343 Y HN -0.212 nan 8.280 nan 0.000 0.514 344 R N -0.140 120.285 120.500 -0.125 0.000 2.092 344 R HA -0.079 4.261 4.340 -0.001 0.000 0.231 344 R C 1.561 177.767 176.300 -0.157 0.000 1.119 344 R CA 2.083 58.074 56.100 -0.182 0.000 0.970 344 R CB -0.184 30.109 30.300 -0.010 0.000 0.864 344 R HN 0.493 nan 8.270 nan 0.000 0.440 345 L N -1.669 119.493 121.223 -0.101 0.000 2.577 345 L HA 0.394 4.733 4.340 -0.001 0.000 0.225 345 L C 0.647 177.506 176.870 -0.019 0.000 1.053 345 L CA 0.171 54.966 54.840 -0.074 0.000 0.866 345 L CB 0.978 42.977 42.059 -0.100 0.000 1.132 345 L HN 0.432 nan 8.230 nan 0.000 0.486 346 G N -0.498 108.313 108.800 0.018 0.000 2.459 346 G HA2 -0.142 3.818 3.960 -0.001 0.000 0.685 346 G HA3 -0.142 3.818 3.960 -0.001 0.000 0.685 346 G C -0.079 174.912 174.900 0.152 0.000 1.303 346 G CA -0.355 44.776 45.100 0.050 0.000 0.907 346 G HN -0.302 nan 8.290 nan 0.000 0.632 347 V N 0.335 120.317 119.914 0.114 0.000 2.515 347 V HA -0.036 4.084 4.120 -0.001 0.000 0.250 347 V C 1.654 177.792 176.094 0.074 0.000 1.058 347 V CA 2.232 64.606 62.300 0.123 0.000 1.064 347 V CB -0.319 31.541 31.823 0.062 0.000 0.675 347 V HN 0.617 nan 8.190 nan 0.000 0.461 348 N N 0.329 119.049 118.700 0.034 0.000 2.466 348 N HA 0.047 4.787 4.740 -0.001 0.000 0.251 348 N C 1.039 176.406 175.510 -0.238 0.000 1.164 348 N CA 0.505 53.517 53.050 -0.063 0.000 0.888 348 N CB -0.181 38.268 38.487 -0.063 0.000 1.177 348 N HN 0.867 nan 8.380 nan 0.000 0.498 349 H N -0.880 118.162 119.070 -0.047 0.000 2.543 349 H HA -0.066 4.489 4.556 -0.001 0.000 0.286 349 H C 1.827 177.085 175.328 -0.117 0.000 1.037 349 H CA 1.100 57.086 56.048 -0.104 0.000 1.250 349 H CB -0.415 29.290 29.762 -0.095 0.000 1.373 349 H HN 0.403 nan 8.280 nan 0.000 0.580 350 H N 0.591 119.498 119.070 -0.271 0.000 2.491 350 H HA -0.068 4.487 4.556 -0.001 0.000 0.290 350 H C 1.114 176.414 175.328 -0.048 0.000 1.050 350 H CA 1.173 57.147 56.048 -0.123 0.000 1.309 350 H CB -0.137 29.619 29.762 -0.010 0.000 1.392 350 H HN 0.553 nan 8.280 nan 0.000 0.554 351 Q N 0.883 120.392 119.800 -0.485 0.000 2.369 351 Q HA 0.164 4.503 4.340 -0.001 0.000 0.206 351 Q C 0.629 176.537 176.000 -0.154 0.000 0.963 351 Q CA 0.125 55.760 55.803 -0.280 0.000 0.894 351 Q CB 0.342 28.892 28.738 -0.313 0.000 0.965 351 Q HN 0.471 nan 8.270 nan 0.000 0.475 352 I N 2.516 122.997 120.570 -0.149 0.000 2.587 352 I HA -0.038 4.131 4.170 -0.001 0.000 0.284 352 I C -1.627 174.405 176.117 -0.142 0.000 1.134 352 I CA -1.490 59.730 61.300 -0.133 0.000 1.410 352 I CB 0.663 38.574 38.000 -0.149 0.000 1.392 352 I HN -0.089 nan 8.210 nan 0.000 0.545 353 P HA -0.251 nan 4.420 nan 0.000 0.218 353 P C 1.720 178.914 177.300 -0.177 0.000 1.154 353 P CA 1.106 64.112 63.100 -0.155 0.000 0.872 353 P CB 0.215 31.829 31.700 -0.144 0.000 0.790 354 V N -0.544 119.258 119.914 -0.187 0.000 2.626 354 V HA -0.155 3.965 4.120 -0.001 0.000 0.252 354 V C 1.523 177.522 176.094 -0.158 0.000 1.067 354 V CA 1.956 64.131 62.300 -0.209 0.000 1.081 354 V CB -0.900 30.629 31.823 -0.491 0.000 0.686 354 V HN 0.106 nan 8.190 nan 0.000 0.468 355 N N 0.562 119.149 118.700 -0.188 0.000 2.373 355 N HA 0.199 4.938 4.740 -0.001 0.000 0.181 355 N C 0.631 176.091 175.510 -0.083 0.000 1.082 355 N CA 0.759 53.713 53.050 -0.161 0.000 0.885 355 N CB -0.027 38.371 38.487 -0.149 0.000 0.977 355 N HN 0.528 nan 8.380 nan 0.000 0.462 356 A N 2.549 125.307 122.820 -0.104 0.000 2.386 356 A HA 0.369 4.688 4.320 -0.001 0.000 0.248 356 A C -2.107 175.369 177.584 -0.180 0.000 1.082 356 A CA -0.864 51.067 52.037 -0.177 0.000 0.789 356 A CB 0.006 18.891 19.000 -0.191 0.000 1.025 356 A HN -0.006 nan 8.150 nan 0.000 0.490 357 P HA 0.327 nan 4.420 nan 0.000 0.281 357 P C -0.636 176.536 177.300 -0.213 0.000 1.249 357 P CA -0.340 62.623 63.100 -0.229 0.000 0.810 357 P CB 1.157 32.638 31.700 -0.367 0.000 1.008 358 K N -0.082 120.252 120.400 -0.110 0.000 2.373 358 K HA 0.184 4.504 4.320 -0.001 0.000 0.202 358 K C 0.626 177.193 176.600 -0.054 0.000 1.025 358 K CA -0.053 56.162 56.287 -0.120 0.000 1.115 358 K CB -0.049 32.354 32.500 -0.161 0.000 0.858 358 K HN 0.582 nan 8.250 nan 0.000 0.525 359 C N -0.359 118.920 119.300 -0.034 0.000 2.423 359 C HA 0.595 5.054 4.460 -0.001 0.000 0.378 359 C C -2.426 172.585 174.990 0.034 0.000 1.244 359 C CA -2.493 56.526 59.018 0.002 0.000 1.978 359 C CB 0.559 28.304 27.740 0.008 0.000 2.252 359 C HN 0.037 nan 8.230 nan 0.000 0.526 360 P HA 0.089 nan 4.420 nan 0.000 0.258 360 P C -1.003 176.427 177.300 0.217 0.000 1.172 360 P CA 0.737 63.903 63.100 0.111 0.000 0.762 360 P CB -0.193 31.560 31.700 0.088 0.000 0.764 361 F N 4.555 124.514 119.950 0.016 0.000 2.403 361 F HA 0.303 4.830 4.527 -0.001 0.000 0.355 361 F C -0.145 175.679 175.800 0.040 0.000 1.119 361 F CA -0.909 57.107 58.000 0.027 0.000 1.007 361 F CB 0.506 39.512 39.000 0.011 0.000 1.194 361 F HN 0.315 nan 8.300 nan 0.000 0.443 362 H N 5.956 125.004 119.070 -0.038 0.000 2.541 362 H HA 0.234 4.790 4.556 -0.001 0.000 0.246 362 H C -0.611 174.592 175.328 -0.208 0.000 1.341 362 H CA -0.252 55.712 56.048 -0.141 0.000 1.469 362 H CB 0.420 30.172 29.762 -0.017 0.000 1.472 362 H HN 0.646 nan 8.280 nan 0.000 0.503 363 N N 2.478 120.935 118.700 -0.405 0.000 2.470 363 N HA -0.070 4.670 4.740 -0.001 0.000 0.268 363 N C 0.533 175.974 175.510 -0.114 0.000 1.136 363 N CA -0.022 52.777 53.050 -0.419 0.000 0.961 363 N CB 0.808 38.800 38.487 -0.825 0.000 1.067 363 N HN 0.514 nan 8.380 nan 0.000 0.468 364 Y N 4.523 124.590 120.300 -0.388 0.000 2.347 364 Y HA 0.039 4.588 4.550 -0.001 0.000 0.294 364 Y C 0.500 176.143 175.900 -0.428 0.000 1.117 364 Y CA 0.577 58.347 58.100 -0.549 0.000 1.184 364 Y CB -0.016 37.992 38.460 -0.754 0.000 1.047 364 Y HN 0.574 nan 8.280 nan 0.000 0.546 365 H N 2.869 121.799 119.070 -0.234 0.000 3.237 365 H HA -0.027 4.528 4.556 -0.001 0.000 0.270 365 H C 0.210 175.385 175.328 -0.254 0.000 0.900 365 H CA 0.476 56.391 56.048 -0.222 0.000 1.415 365 H CB -0.176 29.528 29.762 -0.097 0.000 1.484 365 H HN 0.321 nan 8.280 nan 0.000 0.540 366 R N 3.081 123.463 120.500 -0.197 0.000 2.357 366 R HA 0.049 4.389 4.340 -0.001 0.000 0.296 366 R C -0.040 176.232 176.300 -0.046 0.000 1.052 366 R CA -0.318 55.691 56.100 -0.152 0.000 0.988 366 R CB 0.556 30.725 30.300 -0.217 0.000 1.025 366 R HN 0.699 nan 8.270 nan 0.000 0.469 367 D N 1.509 121.895 120.400 -0.023 0.000 3.528 367 D HA -0.256 4.383 4.640 -0.001 0.000 0.163 367 D C 0.212 176.525 176.300 0.022 0.000 1.069 367 D CA 1.993 55.994 54.000 0.002 0.000 1.082 367 D CB -1.335 39.463 40.800 -0.004 0.000 0.538 367 D HN 1.006 nan 8.370 nan 0.000 0.579 368 G N -0.588 108.223 108.800 0.019 0.000 2.733 368 G HA2 0.394 4.354 3.960 -0.001 0.000 0.686 368 G HA3 0.394 4.354 3.960 -0.001 0.000 0.686 368 G C 0.022 174.934 174.900 0.021 0.000 1.373 368 G CA 0.511 45.626 45.100 0.025 0.000 0.838 368 G HN 1.456 nan 8.290 nan 0.000 0.588 369 A N 0.867 123.697 122.820 0.018 0.000 2.531 369 A HA 0.629 4.949 4.320 -0.001 0.000 0.236 369 A C 1.391 178.977 177.584 0.004 0.000 1.062 369 A CA 1.623 53.665 52.037 0.010 0.000 0.760 369 A CB 0.088 19.093 19.000 0.008 0.000 0.995 369 A HN 2.581 nan 8.150 nan 0.000 0.501 370 M N 0.647 120.246 119.600 -0.000 0.000 2.253 370 M HA -0.143 4.336 4.480 -0.001 0.000 0.195 370 M C 0.041 176.334 176.300 -0.012 0.000 0.512 370 M CA 0.593 55.889 55.300 -0.006 0.000 0.442 370 M CB -1.250 31.344 32.600 -0.010 0.000 1.189 370 M HN 0.788 nan 8.290 nan 0.000 0.923 371 R N 0.492 120.992 120.500 -0.000 0.000 2.272 371 R HA 0.490 4.829 4.340 -0.001 0.000 0.334 371 R C 0.969 177.271 176.300 0.003 0.000 1.117 371 R CA 0.441 56.545 56.100 0.007 0.000 0.966 371 R CB 0.179 30.491 30.300 0.021 0.000 1.049 371 R HN 0.502 nan 8.270 nan 0.000 0.477 372 V N 0.081 119.991 119.914 -0.006 0.000 3.645 372 V HA 0.189 4.308 4.120 -0.001 0.000 0.275 372 V C 0.783 176.880 176.094 0.004 0.000 1.356 372 V CA 0.643 62.941 62.300 -0.003 0.000 1.051 372 V CB 0.472 32.288 31.823 -0.010 0.000 0.828 372 V HN 0.627 nan 8.190 nan 0.000 0.441 373 D N 1.134 121.544 120.400 0.017 0.000 2.349 373 D HA 0.263 4.903 4.640 -0.001 0.000 0.224 373 D C 1.614 177.929 176.300 0.024 0.000 1.029 373 D CA 0.815 54.837 54.000 0.036 0.000 0.879 373 D CB 0.185 41.039 40.800 0.091 0.000 0.906 373 D HN 0.915 nan 8.370 nan 0.000 0.528 374 G N -0.202 108.606 108.800 0.013 0.000 2.179 374 G HA2 -0.297 3.663 3.960 -0.001 0.000 0.220 374 G HA3 -0.297 3.663 3.960 -0.001 0.000 0.220 374 G C 0.362 175.258 174.900 -0.005 0.000 0.990 374 G CA -0.063 45.037 45.100 -0.001 0.000 0.646 374 G HN 0.559 nan 8.290 nan 0.000 0.517 375 N N -1.205 117.497 118.700 0.004 0.000 6.891 375 N HA -0.202 4.537 4.740 -0.001 0.000 0.420 375 N C 1.433 176.926 175.510 -0.028 0.000 0.939 375 N CA 2.106 55.154 53.050 -0.004 0.000 1.300 375 N CB -1.218 37.266 38.487 -0.006 0.000 0.824 375 N HN 1.214 nan 8.380 nan 0.000 0.284 376 S N -0.722 114.957 115.700 -0.034 0.000 2.558 376 S HA 0.445 4.914 4.470 -0.001 0.000 0.217 376 S C 0.820 175.478 174.600 0.097 0.000 0.975 376 S CA 1.197 59.388 58.200 -0.016 0.000 0.912 376 S CB 0.144 63.267 63.200 -0.128 0.000 0.776 376 S HN 1.402 nan 8.310 nan 0.000 0.526 377 G N 0.502 109.331 108.800 0.049 0.000 2.351 377 G HA2 0.257 4.216 3.960 -0.001 0.000 0.296 377 G HA3 0.257 4.216 3.960 -0.001 0.000 0.296 377 G C -0.795 174.130 174.900 0.041 0.000 1.685 377 G CA -0.836 44.301 45.100 0.062 0.000 0.936 377 G HN 0.023 nan 8.290 nan 0.000 0.714 378 N N -0.052 118.661 118.700 0.021 0.000 2.236 378 N HA 0.214 4.954 4.740 -0.001 0.000 0.196 378 N C 1.350 176.881 175.510 0.035 0.000 1.114 378 N CA 0.948 54.011 53.050 0.021 0.000 0.859 378 N CB 1.492 39.982 38.487 0.004 0.000 0.982 378 N HN 0.789 nan 8.380 nan 0.000 0.493 379 G N 0.147 108.978 108.800 0.051 0.000 2.581 379 G HA2 0.355 4.314 3.960 -0.001 0.000 0.194 379 G HA3 0.355 4.314 3.960 -0.001 0.000 0.194 379 G C -0.170 174.810 174.900 0.133 0.000 1.814 379 G CA -0.303 44.839 45.100 0.070 0.000 0.745 379 G HN 0.068 nan 8.290 nan 0.000 0.802 380 I N 2.451 123.092 120.570 0.119 0.000 2.471 380 I HA 0.254 4.424 4.170 -0.001 0.000 0.286 380 I C 0.793 177.082 176.117 0.286 0.000 1.079 380 I CA 0.351 61.744 61.300 0.155 0.000 1.398 380 I CB 1.671 39.610 38.000 -0.102 0.000 1.403 380 I HN 0.438 nan 8.210 nan 0.000 0.530 381 T N 2.029 116.818 114.554 0.391 0.000 3.337 381 T HA 0.262 4.612 4.350 -0.001 0.000 0.299 381 T C -0.421 174.464 174.700 0.308 0.000 0.998 381 T CA -0.436 61.848 62.100 0.306 0.000 0.948 381 T CB -0.364 68.566 68.868 0.103 0.000 1.170 381 T HN 0.471 nan 8.240 nan 0.000 0.508 382 Y N -1.614 118.855 120.300 0.283 0.000 2.609 382 Y HA 0.899 5.448 4.550 -0.001 0.000 0.342 382 Y C -0.940 175.108 175.900 0.247 0.000 1.058 382 Y CA -1.744 56.496 58.100 0.232 0.000 1.055 382 Y CB 1.403 39.946 38.460 0.138 0.000 1.292 382 Y HN -0.006 nan 8.280 nan 0.000 0.476 383 E N 2.599 122.894 120.200 0.159 0.000 2.304 383 E HA 0.380 4.730 4.350 -0.001 0.000 0.277 383 E C -2.912 173.746 176.600 0.095 0.000 0.898 383 E CA -1.908 54.523 56.400 0.052 0.000 0.764 383 E CB 2.296 31.984 29.700 -0.020 0.000 1.216 383 E HN 0.804 nan 8.360 nan 0.000 0.419 384 P HA 0.273 nan 4.420 nan 0.000 0.275 384 P C -0.941 176.422 177.300 0.104 0.000 1.227 384 P CA -0.227 62.918 63.100 0.074 0.000 0.781 384 P CB 0.728 32.466 31.700 0.064 0.000 0.906 385 N N -0.933 117.760 118.700 -0.010 0.000 2.571 385 N HA 0.345 5.085 4.740 -0.001 0.000 0.273 385 N C -0.243 175.257 175.510 -0.016 0.000 1.340 385 N CA -0.961 52.055 53.050 -0.056 0.000 0.789 385 N CB 0.908 39.150 38.487 -0.408 0.000 1.514 385 N HN 0.042 nan 8.380 nan 0.000 0.499 386 S N -1.506 114.199 115.700 0.009 0.000 2.572 386 S HA 0.263 4.733 4.470 -0.001 0.000 0.228 386 S C 1.080 175.670 174.600 -0.017 0.000 0.963 386 S CA -0.206 57.999 58.200 0.008 0.000 0.939 386 S CB -0.050 63.171 63.200 0.036 0.000 0.804 386 S HN 0.775 nan 8.310 nan 0.000 0.480 387 G N 0.547 109.316 108.800 -0.052 0.000 3.126 387 G HA2 0.427 4.387 3.960 -0.001 0.000 0.224 387 G HA3 0.427 4.387 3.960 -0.001 0.000 0.224 387 G C 0.991 175.841 174.900 -0.083 0.000 1.142 387 G CA 0.063 45.125 45.100 -0.064 0.000 0.759 387 G HN 0.632 nan 8.290 nan 0.000 0.550 388 G N -0.612 108.139 108.800 -0.081 0.000 2.179 388 G HA2 -0.132 3.828 3.960 -0.001 0.000 0.257 388 G HA3 -0.132 3.828 3.960 -0.001 0.000 0.257 388 G C 0.335 175.158 174.900 -0.128 0.000 1.010 388 G CA 0.587 45.638 45.100 -0.083 0.000 0.736 388 G HN 1.420 nan 8.290 nan 0.000 0.513 389 V N -4.064 115.734 119.914 -0.193 0.000 2.881 389 V HA 0.856 4.975 4.120 -0.001 0.000 0.316 389 V C 1.177 177.077 176.094 -0.323 0.000 1.070 389 V CA -0.692 61.392 62.300 -0.361 0.000 0.976 389 V CB 1.163 32.648 31.823 -0.563 0.000 1.038 389 V HN 1.051 nan 8.190 nan 0.000 0.446 390 F N -0.418 119.370 119.950 -0.270 0.000 3.093 390 F HA -0.163 4.364 4.527 -0.001 0.000 0.287 390 F C 0.773 176.440 175.800 -0.220 0.000 0.882 390 F CA 0.645 58.470 58.000 -0.293 0.000 1.063 390 F CB -2.059 36.852 39.000 -0.149 0.000 1.097 390 F HN 0.693 nan 8.300 nan 0.000 0.604 391 Q N 1.752 121.506 119.800 -0.078 0.000 2.297 391 Q HA 0.169 4.508 4.340 -0.001 0.000 0.267 391 Q C 0.918 176.898 176.000 -0.033 0.000 1.006 391 Q CA 0.049 55.824 55.803 -0.047 0.000 0.896 391 Q CB 0.758 29.466 28.738 -0.050 0.000 1.186 391 Q HN 0.680 nan 8.270 nan 0.000 0.392 392 E N 1.914 122.102 120.200 -0.019 0.000 2.408 392 E HA 0.017 4.367 4.350 -0.001 0.000 0.259 392 E C -0.736 175.883 176.600 0.033 0.000 1.110 392 E CA -0.136 56.262 56.400 -0.003 0.000 0.929 392 E CB 0.546 30.242 29.700 -0.007 0.000 0.971 392 E HN 0.393 nan 8.360 nan 0.000 0.438 393 Q N 1.653 121.500 119.800 0.078 0.000 2.571 393 Q HA 0.190 4.530 4.340 -0.001 0.000 0.243 393 Q C -2.043 174.053 176.000 0.160 0.000 1.055 393 Q CA -1.762 54.136 55.803 0.158 0.000 0.815 393 Q CB 1.422 30.344 28.738 0.307 0.000 1.151 393 Q HN 0.498 nan 8.270 nan 0.000 0.519 394 P HA -0.135 nan 4.420 nan 0.000 0.225 394 P C 0.258 177.548 177.300 -0.017 0.000 1.148 394 P CA 0.898 64.016 63.100 0.029 0.000 0.779 394 P CB 0.389 32.090 31.700 0.001 0.000 0.780 395 D N -1.492 118.851 120.400 -0.095 0.000 2.310 395 D HA -0.068 4.571 4.640 -0.001 0.000 0.212 395 D C 0.760 176.806 176.300 -0.424 0.000 0.965 395 D CA 0.935 54.751 54.000 -0.306 0.000 0.879 395 D CB -0.416 40.087 40.800 -0.495 0.000 0.921 395 D HN 0.277 nan 8.370 nan 0.000 0.510 396 F N 0.681 120.622 119.950 -0.016 0.000 2.639 396 F HA 0.205 4.731 4.527 -0.001 0.000 0.300 396 F C 0.916 176.704 175.800 -0.020 0.000 1.109 396 F CA -0.435 57.554 58.000 -0.019 0.000 1.335 396 F CB -0.066 38.924 39.000 -0.018 0.000 1.014 396 F HN -0.438 nan 8.300 nan 0.000 0.537 397 K N 1.763 122.216 120.400 0.089 0.000 2.489 397 K HA 0.031 4.351 4.320 -0.001 0.000 0.278 397 K C 0.156 176.778 176.600 0.036 0.000 1.000 397 K CA 0.490 56.808 56.287 0.052 0.000 1.012 397 K CB 0.419 32.928 32.500 0.016 0.000 0.903 397 K HN 0.294 nan 8.250 nan 0.000 0.485 398 E N 3.870 124.088 120.200 0.030 0.000 2.191 398 E HA 0.238 4.587 4.350 -0.001 0.000 0.274 398 E C -2.105 174.494 176.600 -0.002 0.000 0.948 398 E CA -2.053 54.354 56.400 0.011 0.000 0.802 398 E CB 1.088 30.792 29.700 0.007 0.000 1.137 398 E HN 0.442 nan 8.360 nan 0.000 0.397 399 P HA 0.121 nan 4.420 nan 0.000 0.270 399 P C -2.492 174.796 177.300 -0.020 0.000 1.223 399 P CA -0.934 62.149 63.100 -0.029 0.000 0.785 399 P CB -0.308 31.359 31.700 -0.055 0.000 0.923 400 P HA 0.232 nan 4.420 nan 0.000 0.272 400 P C -0.815 176.486 177.300 0.000 0.000 1.240 400 P CA -0.220 62.879 63.100 -0.001 0.000 0.791 400 P CB 0.256 31.956 31.700 -0.000 0.000 0.978 401 L N 1.347 122.582 121.223 0.021 0.000 2.319 401 L HA 0.357 4.697 4.340 -0.001 0.000 0.281 401 L C -0.179 176.712 176.870 0.035 0.000 1.005 401 L CA -0.320 54.544 54.840 0.040 0.000 0.828 401 L CB 0.811 42.915 42.059 0.076 0.000 1.227 401 L HN 0.428 nan 8.230 nan 0.000 0.415 402 S N 5.035 120.756 115.700 0.034 0.000 2.549 402 S HA 0.522 4.992 4.470 -0.001 0.000 0.283 402 S C 0.028 174.638 174.600 0.017 0.000 1.320 402 S CA -0.406 57.807 58.200 0.023 0.000 1.058 402 S CB 0.328 63.540 63.200 0.020 0.000 0.882 402 S HN 0.515 nan 8.310 nan 0.000 0.498 403 I N 1.869 122.441 120.570 0.003 0.000 2.404 403 I HA 0.391 4.560 4.170 -0.001 0.000 0.293 403 I C -0.501 175.602 176.117 -0.023 0.000 0.992 403 I CA -0.611 60.680 61.300 -0.015 0.000 1.149 403 I CB 1.754 39.749 38.000 -0.008 0.000 1.315 403 I HN 0.603 nan 8.210 nan 0.000 0.446 404 E N 4.364 124.532 120.200 -0.053 0.000 2.155 404 E HA 0.718 5.067 4.350 -0.001 0.000 0.264 404 E C -0.099 176.432 176.600 -0.114 0.000 0.886 404 E CA -0.256 56.105 56.400 -0.065 0.000 0.752 404 E CB 1.861 31.519 29.700 -0.070 0.000 1.133 404 E HN 0.828 nan 8.360 nan 0.000 0.414 405 G N 1.448 110.214 108.800 -0.058 0.000 2.555 405 G HA2 0.283 4.243 3.960 -0.001 0.000 0.686 405 G HA3 0.283 4.243 3.960 -0.001 0.000 0.686 405 G C -0.555 174.403 174.900 0.097 0.000 1.275 405 G CA -0.591 44.490 45.100 -0.031 0.000 0.871 405 G HN 0.679 nan 8.290 nan 0.000 0.603 406 A N -0.153 122.845 122.820 0.297 0.000 2.257 406 A HA 1.007 5.327 4.320 -0.001 0.000 0.289 406 A C 0.956 178.774 177.584 0.389 0.000 1.095 406 A CA 0.791 53.003 52.037 0.291 0.000 0.836 406 A CB 0.775 19.924 19.000 0.248 0.000 1.111 406 A HN 2.603 nan 8.150 nan 0.000 0.497 407 A N 0.630 123.578 122.820 0.213 0.000 2.354 407 A HA 0.572 4.892 4.320 -0.001 0.000 0.281 407 A C -0.239 177.388 177.584 0.073 0.000 1.174 407 A CA 0.117 52.250 52.037 0.161 0.000 0.828 407 A CB -0.106 18.928 19.000 0.057 0.000 1.099 407 A HN 0.900 nan 8.150 nan 0.000 0.516 408 D N -0.528 119.890 120.400 0.030 0.000 2.764 408 D HA 0.128 4.768 4.640 -0.001 0.000 0.293 408 D C -1.278 174.844 176.300 -0.297 0.000 1.287 408 D CA -0.490 53.340 54.000 -0.283 0.000 0.768 408 D CB 0.586 40.977 40.800 -0.683 0.000 1.288 408 D HN 0.534 nan 8.370 nan 0.000 0.426 409 H N 1.257 120.168 119.070 -0.265 0.000 2.969 409 H HA 0.183 4.739 4.556 -0.001 0.000 0.269 409 H C -0.551 174.660 175.328 -0.195 0.000 1.223 409 H CA 0.014 55.990 56.048 -0.120 0.000 1.400 409 H CB -0.092 29.613 29.762 -0.094 0.000 1.500 409 H HN 0.105 nan 8.280 nan 0.000 0.486 410 W N 2.649 124.017 121.300 0.113 0.000 2.331 410 W HA 0.081 4.741 4.660 -0.000 0.000 0.306 410 W C 0.875 177.450 176.519 0.095 0.000 1.162 410 W CA -0.613 56.783 57.345 0.084 0.000 1.232 410 W CB 0.340 29.836 29.460 0.060 0.000 1.235 410 W HN 0.454 nan 8.180 nan 0.000 0.479 411 N N 2.904 121.751 118.700 0.245 0.000 2.427 411 N HA -0.096 4.644 4.740 -0.001 0.000 0.269 411 N C 1.114 176.711 175.510 0.146 0.000 1.235 411 N CA 0.267 53.387 53.050 0.118 0.000 0.934 411 N CB 0.370 38.879 38.487 0.036 0.000 1.121 411 N HN 0.537 nan 8.380 nan 0.000 0.480 412 H N 2.283 121.449 119.070 0.159 0.000 2.546 412 H HA 0.140 4.695 4.556 -0.001 0.000 0.277 412 H C 0.764 176.162 175.328 0.118 0.000 1.004 412 H CA 0.922 57.053 56.048 0.138 0.000 1.231 412 H CB 0.104 29.950 29.762 0.138 0.000 1.382 412 H HN 0.433 nan 8.280 nan 0.000 0.580 413 R N 0.927 121.333 120.500 -0.156 0.000 2.328 413 R HA -0.003 4.337 4.340 -0.001 0.000 0.206 413 R C 0.673 176.979 176.300 0.010 0.000 0.990 413 R CA 0.257 56.340 56.100 -0.027 0.000 1.085 413 R CB 0.132 30.396 30.300 -0.059 0.000 0.998 413 R HN 0.480 nan 8.270 nan 0.000 0.484 414 E N 0.762 120.980 120.200 0.031 0.000 2.285 414 E HA -0.086 4.264 4.350 -0.001 0.000 0.194 414 E C 0.032 176.624 176.600 -0.014 0.000 0.997 414 E CA 0.687 57.105 56.400 0.030 0.000 0.845 414 E CB 0.071 29.814 29.700 0.071 0.000 0.782 414 E HN 0.166 nan 8.360 nan 0.000 0.491 415 D N 1.158 121.538 120.400 -0.033 0.000 2.428 415 D HA 0.055 4.695 4.640 -0.001 0.000 0.221 415 D C -0.051 176.034 176.300 -0.359 0.000 1.123 415 D CA -0.022 53.911 54.000 -0.111 0.000 0.869 415 D CB 0.492 41.270 40.800 -0.037 0.000 1.032 415 D HN -0.122 nan 8.370 nan 0.000 0.506 416 E N 2.152 122.102 120.200 -0.416 0.000 2.451 416 E HA -0.004 4.346 4.350 -0.001 0.000 0.194 416 E C -0.385 175.745 176.600 -0.783 0.000 1.027 416 E CA -0.161 55.774 56.400 -0.776 0.000 0.914 416 E CB 0.468 30.017 29.700 -0.252 0.000 1.054 416 E HN 0.310 nan 8.360 nan 0.000 0.461 417 D N 0.060 120.135 120.400 -0.543 0.000 2.551 417 D HA -0.012 4.628 4.640 -0.001 0.000 0.223 417 D C -0.141 175.945 176.300 -0.357 0.000 1.144 417 D CA -0.022 53.796 54.000 -0.303 0.000 1.025 417 D CB -0.139 40.588 40.800 -0.122 0.000 1.085 417 D HN 0.117 nan 8.370 nan 0.000 0.506 418 Y N 0.786 120.800 120.300 -0.477 0.000 2.481 418 Y HA 0.166 4.715 4.550 -0.001 0.000 0.258 418 Y C 1.175 176.686 175.900 -0.648 0.000 1.103 418 Y CA -0.127 57.581 58.100 -0.654 0.000 1.287 418 Y CB -0.095 37.736 38.460 -1.047 0.000 1.108 418 Y HN 0.218 nan 8.280 nan 0.000 0.529 419 F N -1.086 118.963 119.950 0.165 0.000 2.559 419 F HA 0.042 4.569 4.527 -0.001 0.000 0.286 419 F C 2.484 178.317 175.800 0.056 0.000 1.108 419 F CA 0.518 58.580 58.000 0.103 0.000 1.436 419 F CB -0.987 38.070 39.000 0.095 0.000 1.130 419 F HN -0.037 nan 8.300 nan 0.000 0.584 420 S N 0.405 116.206 115.700 0.168 0.000 2.370 420 S HA -0.255 4.214 4.470 -0.001 0.000 0.226 420 S C 1.808 176.420 174.600 0.021 0.000 1.033 420 S CA 1.477 59.734 58.200 0.096 0.000 1.011 420 S CB -0.734 62.504 63.200 0.063 0.000 0.852 420 S HN 0.517 nan 8.310 nan 0.000 0.457 421 Q N 1.206 120.956 119.800 -0.083 0.000 2.083 421 Q HA 0.044 4.384 4.340 -0.001 0.000 0.198 421 Q C -0.488 175.312 176.000 -0.333 0.000 0.969 421 Q CA 1.254 56.902 55.803 -0.259 0.000 0.838 421 Q CB -1.008 27.487 28.738 -0.406 0.000 0.900 421 Q HN 0.583 nan 8.270 nan 0.000 0.436 422 P HA -0.140 nan 4.420 nan 0.000 0.226 422 P C 0.936 178.343 177.300 0.179 0.000 1.153 422 P CA 1.048 64.154 63.100 0.011 0.000 0.777 422 P CB -0.073 31.738 31.700 0.186 0.000 0.794 423 R N 0.633 121.237 120.500 0.173 0.000 2.066 423 R HA -0.039 4.301 4.340 -0.001 0.000 0.232 423 R C 2.242 178.672 176.300 0.217 0.000 1.131 423 R CA 1.511 57.756 56.100 0.242 0.000 0.955 423 R CB -0.772 29.660 30.300 0.220 0.000 0.851 423 R HN 0.016 nan 8.270 nan 0.000 0.432 424 A N 1.215 124.107 122.820 0.121 0.000 1.933 424 A HA -0.162 4.158 4.320 -0.001 0.000 0.218 424 A C 2.026 179.663 177.584 0.088 0.000 1.175 424 A CA 1.262 53.351 52.037 0.087 0.000 0.628 424 A CB -0.543 18.478 19.000 0.035 0.000 0.814 424 A HN 0.407 nan 8.150 nan 0.000 0.444 425 L N -1.785 119.498 121.223 0.099 0.000 2.027 425 L HA -0.089 4.250 4.340 -0.001 0.000 0.206 425 L C 2.283 179.222 176.870 0.115 0.000 1.074 425 L CA 2.297 57.204 54.840 0.112 0.000 0.745 425 L CB -0.947 41.210 42.059 0.163 0.000 0.898 425 L HN 0.492 nan 8.230 nan 0.000 0.433 426 Y N 0.910 121.219 120.300 0.016 0.000 2.165 426 Y HA -0.272 4.277 4.550 -0.001 0.000 0.286 426 Y C 2.341 178.259 175.900 0.030 0.000 1.155 426 Y CA 2.298 60.359 58.100 -0.065 0.000 1.164 426 Y CB -0.213 38.129 38.460 -0.196 0.000 0.978 426 Y HN 0.403 nan 8.280 nan 0.000 0.513 427 E N -0.190 120.048 120.200 0.063 0.000 2.338 427 E HA -0.135 4.215 4.350 -0.001 0.000 0.197 427 E C 1.918 178.492 176.600 -0.044 0.000 1.007 427 E CA 0.870 57.274 56.400 0.006 0.000 0.849 427 E CB -0.129 29.638 29.700 0.112 0.000 0.774 427 E HN 0.530 nan 8.360 nan 0.000 0.506 428 L N 0.478 121.676 121.223 -0.041 0.000 2.375 428 L HA 0.087 4.426 4.340 -0.001 0.000 0.215 428 L C 0.720 177.514 176.870 -0.126 0.000 1.108 428 L CA -0.000 54.803 54.840 -0.060 0.000 0.830 428 L CB 0.132 42.177 42.059 -0.024 0.000 0.959 428 L HN 0.043 nan 8.230 nan 0.000 0.457 429 L N -0.148 120.963 121.223 -0.187 0.000 2.395 429 L HA 0.209 4.548 4.340 -0.001 0.000 0.269 429 L C 0.916 177.420 176.870 -0.610 0.000 1.133 429 L CA -0.414 54.233 54.840 -0.320 0.000 0.812 429 L CB 1.155 43.048 42.059 -0.277 0.000 1.125 429 L HN 0.109 nan 8.230 nan 0.000 0.452 430 S N -0.035 115.347 115.700 -0.529 0.000 2.608 430 S HA 0.060 4.529 4.470 -0.001 0.000 0.261 430 S C 0.554 174.685 174.600 -0.782 0.000 1.314 430 S CA -0.617 57.271 58.200 -0.520 0.000 0.992 430 S CB 0.972 63.991 63.200 -0.302 0.000 0.935 430 S HN 0.607 nan 8.310 nan 0.000 0.564 431 D N 0.632 120.743 120.400 -0.481 0.000 2.144 431 D HA -0.059 4.581 4.640 -0.001 0.000 0.199 431 D C 1.300 177.444 176.300 -0.259 0.000 0.984 431 D CA 1.216 55.021 54.000 -0.325 0.000 0.834 431 D CB -0.384 40.339 40.800 -0.129 0.000 0.955 431 D HN 0.587 nan 8.370 nan 0.000 0.465 432 D N 0.280 120.540 120.400 -0.233 0.000 2.144 432 D HA -0.123 4.516 4.640 -0.001 0.000 0.200 432 D C 1.885 178.057 176.300 -0.212 0.000 0.978 432 D CA 0.631 54.527 54.000 -0.174 0.000 0.833 432 D CB -0.105 40.615 40.800 -0.134 0.000 0.961 432 D HN 0.373 nan 8.370 nan 0.000 0.470 433 E N -0.299 119.730 120.200 -0.286 0.000 2.107 433 E HA -0.144 4.205 4.350 -0.001 0.000 0.191 433 E C 1.781 178.191 176.600 -0.315 0.000 0.982 433 E CA 0.658 56.897 56.400 -0.268 0.000 0.809 433 E CB 0.066 29.605 29.700 -0.268 0.000 0.756 433 E HN 0.485 nan 8.360 nan 0.000 0.459 434 H N -0.512 118.254 119.070 -0.506 0.000 2.353 434 H HA -0.093 4.463 4.556 -0.001 0.000 0.300 434 H C 2.186 176.749 175.328 -1.275 0.000 1.090 434 H CA 0.969 56.483 56.048 -0.890 0.000 1.327 434 H CB 0.287 29.595 29.762 -0.758 0.000 1.383 434 H HN 0.139 nan 8.280 nan 0.000 0.508 435 Q N 0.665 120.153 119.800 -0.520 0.000 2.119 435 Q HA -0.094 4.246 4.340 -0.001 0.000 0.201 435 Q C 2.258 178.149 176.000 -0.182 0.000 0.972 435 Q CA 1.024 56.673 55.803 -0.256 0.000 0.847 435 Q CB -0.141 28.567 28.738 -0.051 0.000 0.903 435 Q HN 0.526 nan 8.270 nan 0.000 0.433 436 R N -0.220 120.165 120.500 -0.191 0.000 2.092 436 R HA 0.034 4.374 4.340 -0.001 0.000 0.231 436 R C 2.407 178.651 176.300 -0.093 0.000 1.119 436 R CA 1.064 57.101 56.100 -0.104 0.000 0.970 436 R CB -0.191 30.053 30.300 -0.093 0.000 0.864 436 R HN 0.258 nan 8.270 nan 0.000 0.440 437 M N -0.249 119.235 119.600 -0.194 0.000 2.117 437 M HA -0.134 4.346 4.480 -0.001 0.000 0.262 437 M C 1.710 178.023 176.300 0.022 0.000 1.065 437 M CA 1.616 56.849 55.300 -0.113 0.000 1.114 437 M CB -0.244 32.237 32.600 -0.197 0.000 1.361 437 M HN 0.024 nan 8.290 nan 0.000 0.408 438 F N 0.538 120.494 119.950 0.010 0.000 2.134 438 F HA -0.083 4.443 4.527 -0.001 0.000 0.299 438 F C 2.723 178.507 175.800 -0.027 0.000 1.097 438 F CA 1.063 59.051 58.000 -0.020 0.000 1.264 438 F CB -1.678 37.319 39.000 -0.006 0.000 1.001 438 F HN 0.108 nan 8.300 nan 0.000 0.479 439 A N 0.149 123.069 122.820 0.167 0.000 1.930 439 A HA -0.162 4.158 4.320 -0.001 0.000 0.217 439 A C 2.358 179.982 177.584 0.067 0.000 1.175 439 A CA 1.381 53.473 52.037 0.092 0.000 0.627 439 A CB -0.636 18.400 19.000 0.061 0.000 0.815 439 A HN 0.293 nan 8.150 nan 0.000 0.443 440 R N -0.526 120.015 120.500 0.069 0.000 2.075 440 R HA 0.028 4.367 4.340 -0.001 0.000 0.232 440 R C 1.922 178.278 176.300 0.094 0.000 1.126 440 R CA 1.531 57.681 56.100 0.083 0.000 0.963 440 R CB -0.402 29.952 30.300 0.091 0.000 0.858 440 R HN 0.574 nan 8.270 nan 0.000 0.435 441 I N 0.320 120.933 120.570 0.072 0.000 2.286 441 I HA -0.201 3.968 4.170 -0.001 0.000 0.245 441 I C 2.541 178.587 176.117 -0.118 0.000 1.104 441 I CA 1.045 62.332 61.300 -0.021 0.000 1.397 441 I CB -0.394 37.553 38.000 -0.088 0.000 1.072 441 I HN 0.179 nan 8.210 nan 0.000 0.417 442 A N 1.119 123.909 122.820 -0.051 0.000 1.908 442 A HA -0.162 4.158 4.320 -0.001 0.000 0.218 442 A C 2.440 179.998 177.584 -0.043 0.000 1.181 442 A CA 1.985 53.987 52.037 -0.059 0.000 0.627 442 A CB -1.483 17.511 19.000 -0.011 0.000 0.818 442 A HN 0.468 nan 8.150 nan 0.000 0.445 443 G N -0.777 108.023 108.800 0.001 0.000 2.432 443 G HA2 -0.182 3.777 3.960 -0.001 0.000 0.219 443 G HA3 -0.182 3.777 3.960 -0.001 0.000 0.219 443 G C 1.465 176.385 174.900 0.034 0.000 1.135 443 G CA 1.074 46.189 45.100 0.024 0.000 0.767 443 G HN 0.682 nan 8.290 nan 0.000 0.550 444 E N -0.727 119.495 120.200 0.037 0.000 2.099 444 E HA 0.095 4.445 4.350 -0.001 0.000 0.191 444 E C 2.281 178.844 176.600 -0.061 0.000 0.962 444 E CA -0.044 56.420 56.400 0.106 0.000 0.826 444 E CB -0.129 29.799 29.700 0.380 0.000 0.788 444 E HN 0.263 nan 8.360 nan 0.000 0.461 445 L N 1.682 122.686 121.223 -0.364 0.000 2.191 445 L HA -0.122 4.218 4.340 -0.001 0.000 0.212 445 L C 2.267 179.037 176.870 -0.166 0.000 1.103 445 L CA 1.710 56.279 54.840 -0.451 0.000 0.769 445 L CB -0.434 41.264 42.059 -0.601 0.000 0.908 445 L HN 0.059 nan 8.230 nan 0.000 0.438 446 S N -1.931 113.708 115.700 -0.101 0.000 2.447 446 S HA -0.191 4.279 4.470 -0.001 0.000 0.233 446 S C 1.711 176.299 174.600 -0.020 0.000 1.006 446 S CA 0.788 58.958 58.200 -0.050 0.000 0.957 446 S CB -0.508 62.670 63.200 -0.035 0.000 0.773 446 S HN 0.657 nan 8.310 nan 0.000 0.507 447 Q N 0.910 120.709 119.800 -0.003 0.000 2.435 447 Q HA 0.359 4.698 4.340 -0.001 0.000 0.207 447 Q C 0.972 176.987 176.000 0.026 0.000 0.956 447 Q CA 0.503 56.316 55.803 0.015 0.000 0.917 447 Q CB -0.122 28.636 28.738 0.034 0.000 0.997 447 Q HN 0.746 nan 8.270 nan 0.000 0.497 448 A N 1.215 124.058 122.820 0.039 0.000 2.272 448 A HA 0.396 4.716 4.320 -0.001 0.000 0.275 448 A C 0.373 177.980 177.584 0.039 0.000 1.096 448 A CA -0.494 51.583 52.037 0.067 0.000 0.822 448 A CB 0.475 19.542 19.000 0.112 0.000 1.088 448 A HN 0.272 nan 8.150 nan 0.000 0.495 449 S N 0.233 115.964 115.700 0.052 0.000 2.600 449 S HA 0.170 4.639 4.470 -0.001 0.000 0.265 449 S C 0.686 175.299 174.600 0.021 0.000 1.325 449 S CA -0.347 57.875 58.200 0.037 0.000 1.002 449 S CB 0.613 63.844 63.200 0.051 0.000 0.921 449 S HN 0.563 nan 8.310 nan 0.000 0.554 450 K N 1.114 121.521 120.400 0.012 0.000 2.147 450 K HA -0.122 4.198 4.320 -0.001 0.000 0.205 450 K C 1.981 178.580 176.600 -0.001 0.000 1.049 450 K CA 1.594 57.882 56.287 0.001 0.000 0.936 450 K CB -0.545 31.955 32.500 -0.001 0.000 0.722 450 K HN 0.891 nan 8.250 nan 0.000 0.446 451 E N 0.490 120.695 120.200 0.008 0.000 2.047 451 E HA -0.128 4.222 4.350 -0.001 0.000 0.191 451 E C 1.480 178.074 176.600 -0.009 0.000 0.987 451 E CA 1.395 57.797 56.400 0.004 0.000 0.799 451 E CB 0.173 29.885 29.700 0.020 0.000 0.752 451 E HN 0.164 nan 8.360 nan 0.000 0.449 452 T N 0.792 115.349 114.554 0.005 0.000 2.812 452 T HA -0.125 4.225 4.350 -0.001 0.000 0.264 452 T C 1.830 176.528 174.700 -0.004 0.000 1.042 452 T CA 1.144 63.246 62.100 0.003 0.000 1.140 452 T CB -0.127 68.782 68.868 0.067 0.000 0.870 452 T HN 0.236 nan 8.240 nan 0.000 0.445 453 Q N 0.477 120.273 119.800 -0.008 0.000 2.061 453 Q HA -0.204 4.135 4.340 -0.001 0.000 0.204 453 Q C 2.509 178.485 176.000 -0.039 0.000 0.984 453 Q CA 1.549 57.333 55.803 -0.032 0.000 0.846 453 Q CB -0.184 28.533 28.738 -0.034 0.000 0.902 453 Q HN 0.348 nan 8.270 nan 0.000 0.421 454 Q N 0.845 120.624 119.800 -0.035 0.000 2.079 454 Q HA -0.140 4.200 4.340 -0.001 0.000 0.200 454 Q C 1.870 177.839 176.000 -0.052 0.000 0.974 454 Q CA 1.532 57.312 55.803 -0.039 0.000 0.840 454 Q CB -0.095 28.625 28.738 -0.031 0.000 0.898 454 Q HN 0.168 nan 8.270 nan 0.000 0.430 455 R N -0.614 119.850 120.500 -0.060 0.000 2.081 455 R HA -0.192 4.148 4.340 -0.001 0.000 0.235 455 R C 2.112 178.346 176.300 -0.110 0.000 1.131 455 R CA 1.751 57.801 56.100 -0.083 0.000 0.960 455 R CB -0.055 30.178 30.300 -0.111 0.000 0.856 455 R HN 0.259 nan 8.270 nan 0.000 0.436 456 Q N 0.259 119.994 119.800 -0.108 0.000 2.172 456 Q HA -0.039 4.301 4.340 -0.001 0.000 0.200 456 Q C 1.820 177.700 176.000 -0.199 0.000 0.964 456 Q CA 1.132 56.823 55.803 -0.187 0.000 0.855 456 Q CB 0.062 28.741 28.738 -0.099 0.000 0.918 456 Q HN 0.287 nan 8.270 nan 0.000 0.444 457 I N 1.041 121.576 120.570 -0.058 0.000 2.226 457 I HA -0.226 3.943 4.170 -0.001 0.000 0.245 457 I C 1.336 177.429 176.117 -0.040 0.000 1.100 457 I CA 1.334 62.641 61.300 0.010 0.000 1.374 457 I CB -1.203 36.783 38.000 -0.023 0.000 1.057 457 I HN 0.240 nan 8.210 nan 0.000 0.413 458 D N 0.753 121.104 120.400 -0.082 0.000 2.178 458 D HA -0.116 4.523 4.640 -0.001 0.000 0.201 458 D C 2.445 178.660 176.300 -0.141 0.000 0.980 458 D CA 0.908 54.848 54.000 -0.099 0.000 0.842 458 D CB -0.117 40.632 40.800 -0.085 0.000 0.948 458 D HN 0.304 nan 8.370 nan 0.000 0.472 459 L N -0.583 120.538 121.223 -0.170 0.000 2.109 459 L HA -0.085 4.255 4.340 -0.001 0.000 0.207 459 L C 2.145 178.908 176.870 -0.179 0.000 1.086 459 L CA 0.570 55.309 54.840 -0.167 0.000 0.760 459 L CB -0.277 41.651 42.059 -0.217 0.000 0.910 459 L HN -0.057 nan 8.230 nan 0.000 0.437 460 F N 0.126 119.948 119.950 -0.213 0.000 2.325 460 F HA -0.132 4.395 4.527 -0.001 0.000 0.299 460 F C 2.629 178.259 175.800 -0.283 0.000 1.090 460 F CA 1.108 58.859 58.000 -0.415 0.000 1.392 460 F CB -1.134 37.503 39.000 -0.605 0.000 1.053 460 F HN -0.012 nan 8.300 nan 0.000 0.521 461 T N -0.511 114.021 114.554 -0.037 0.000 2.821 461 T HA -0.140 4.210 4.350 -0.001 0.000 0.267 461 T C 1.952 176.564 174.700 -0.145 0.000 1.046 461 T CA 1.051 63.106 62.100 -0.075 0.000 1.139 461 T CB -0.138 68.676 68.868 -0.089 0.000 0.871 461 T HN 0.182 nan 8.240 nan 0.000 0.454 462 K N 0.606 120.841 120.400 -0.275 0.000 2.283 462 K HA 0.024 4.344 4.320 -0.001 0.000 0.202 462 K C 2.087 178.462 176.600 -0.376 0.000 1.048 462 K CA 0.548 56.509 56.287 -0.542 0.000 0.948 462 K CB -0.062 31.730 32.500 -1.180 0.000 0.742 462 K HN 0.190 nan 8.250 nan 0.000 0.458 463 V N -0.306 119.569 119.914 -0.064 0.000 2.379 463 V HA -0.070 4.049 4.120 -0.001 0.000 0.243 463 V C 0.669 176.860 176.094 0.162 0.000 1.035 463 V CA 1.000 63.412 62.300 0.186 0.000 1.035 463 V CB -0.178 31.837 31.823 0.321 0.000 0.673 463 V HN 0.365 nan 8.190 nan 0.000 0.457 464 H N -1.860 117.197 119.070 -0.023 0.000 3.151 464 H HA 0.191 4.747 4.556 -0.001 0.000 0.333 464 H C -2.590 172.696 175.328 -0.069 0.000 1.093 464 H CA -0.859 55.150 56.048 -0.064 0.000 1.342 464 H CB 2.426 32.067 29.762 -0.201 0.000 1.983 464 H HN -0.100 nan 8.280 nan 0.000 0.503 465 P HA -0.116 nan 4.420 nan 0.000 0.218 465 P C 1.237 178.591 177.300 0.090 0.000 1.148 465 P CA 1.193 64.300 63.100 0.013 0.000 0.822 465 P CB 0.403 32.076 31.700 -0.044 0.000 0.784 466 E N -1.930 118.443 120.200 0.287 0.000 2.150 466 E HA -0.210 4.140 4.350 -0.001 0.000 0.193 466 E C 1.680 178.310 176.600 0.051 0.000 0.985 466 E CA 0.649 57.172 56.400 0.205 0.000 0.814 466 E CB -0.305 29.600 29.700 0.342 0.000 0.752 466 E HN 0.150 nan 8.360 nan 0.000 0.466 467 Y N 0.530 120.703 120.300 -0.212 0.000 2.133 467 Y HA -0.021 4.529 4.550 -0.001 0.000 0.287 467 Y C 2.214 177.893 175.900 -0.368 0.000 1.134 467 Y CA 1.682 59.563 58.100 -0.365 0.000 1.133 467 Y CB -0.895 37.201 38.460 -0.607 0.000 0.987 467 Y HN 0.073 nan 8.280 nan 0.000 0.502 468 G N -0.518 108.250 108.800 -0.053 0.000 2.418 468 G HA2 -0.204 3.756 3.960 -0.001 0.000 0.217 468 G HA3 -0.204 3.756 3.960 -0.001 0.000 0.217 468 G C 1.869 176.673 174.900 -0.161 0.000 1.158 468 G CA 1.156 46.204 45.100 -0.087 0.000 0.771 468 G HN 0.544 nan 8.290 nan 0.000 0.545 469 A N 0.799 123.519 122.820 -0.167 0.000 1.930 469 A HA 0.205 4.525 4.320 -0.001 0.000 0.217 469 A C 2.682 180.075 177.584 -0.318 0.000 1.175 469 A CA 1.959 53.889 52.037 -0.178 0.000 0.627 469 A CB -0.936 17.998 19.000 -0.110 0.000 0.815 469 A HN 0.500 nan 8.150 nan 0.000 0.443 470 G N -0.695 107.741 108.800 -0.608 0.000 2.408 470 G HA2 -0.061 3.899 3.960 -0.001 0.000 0.217 470 G HA3 -0.061 3.899 3.960 -0.001 0.000 0.217 470 G C 1.440 175.777 174.900 -0.939 0.000 1.150 470 G CA 1.224 45.607 45.100 -1.196 0.000 0.776 470 G HN 0.314 nan 8.290 nan 0.000 0.542 471 V N 0.366 119.887 119.914 -0.655 0.000 2.488 471 V HA -0.080 4.040 4.120 -0.001 0.000 0.246 471 V C 2.502 178.483 176.094 -0.189 0.000 1.046 471 V CA 1.995 64.111 62.300 -0.306 0.000 1.053 471 V CB -0.116 31.540 31.823 -0.277 0.000 0.679 471 V HN 0.536 nan 8.190 nan 0.000 0.458 472 E N 0.377 120.468 120.200 -0.180 0.000 2.106 472 E HA -0.253 4.097 4.350 -0.001 0.000 0.192 472 E C 2.304 178.844 176.600 -0.100 0.000 0.984 472 E CA 1.303 57.634 56.400 -0.115 0.000 0.806 472 E CB -0.046 29.595 29.700 -0.099 0.000 0.750 472 E HN 0.524 nan 8.360 nan 0.000 0.458 473 K N -0.056 120.269 120.400 -0.125 0.000 2.057 473 K HA -0.091 4.228 4.320 -0.001 0.000 0.206 473 K C 2.024 178.594 176.600 -0.051 0.000 1.050 473 K CA 1.042 57.280 56.287 -0.082 0.000 0.935 473 K CB -0.137 32.309 32.500 -0.090 0.000 0.715 473 K HN 0.145 nan 8.250 nan 0.000 0.439 474 A N 1.092 123.881 122.820 -0.052 0.000 2.019 474 A HA -0.099 4.221 4.320 -0.001 0.000 0.219 474 A C 1.983 179.558 177.584 -0.014 0.000 1.164 474 A CA 1.154 53.191 52.037 -0.001 0.000 0.644 474 A CB -0.432 18.599 19.000 0.051 0.000 0.805 474 A HN 0.332 nan 8.150 nan 0.000 0.449 475 I N -1.012 119.535 120.570 -0.039 0.000 2.353 475 I HA -0.175 3.994 4.170 -0.001 0.000 0.248 475 I C 2.471 178.572 176.117 -0.028 0.000 1.119 475 I CA 1.495 62.772 61.300 -0.039 0.000 1.417 475 I CB -0.143 37.824 38.000 -0.056 0.000 1.078 475 I HN 0.324 nan 8.210 nan 0.000 0.421 476 K N 0.876 121.258 120.400 -0.029 0.000 2.103 476 K HA -0.106 4.214 4.320 -0.001 0.000 0.204 476 K C 2.046 178.638 176.600 -0.013 0.000 1.052 476 K CA 1.067 57.341 56.287 -0.022 0.000 0.945 476 K CB 0.168 32.653 32.500 -0.026 0.000 0.722 476 K HN 0.077 nan 8.250 nan 0.000 0.443 477 V N 1.434 121.342 119.914 -0.009 0.000 2.427 477 V HA -0.211 3.909 4.120 -0.001 0.000 0.248 477 V C 2.158 178.253 176.094 0.002 0.000 1.051 477 V CA 1.223 63.523 62.300 -0.000 0.000 1.048 477 V CB -0.287 31.541 31.823 0.008 0.000 0.666 477 V HN 0.323 nan 8.190 nan 0.000 0.456 478 L N -0.238 120.985 121.223 0.000 0.000 2.109 478 L HA 0.040 4.379 4.340 -0.001 0.000 0.207 478 L C 1.387 178.256 176.870 -0.001 0.000 1.086 478 L CA 1.455 56.296 54.840 0.001 0.000 0.760 478 L CB -0.285 41.775 42.059 0.001 0.000 0.910 478 L HN 0.384 nan 8.230 nan 0.000 0.437 479 E N 0.000 120.197 120.200 -0.006 0.000 2.725 479 E HA 0.000 4.350 4.350 -0.001 0.000 0.291 479 E CA 0.000 56.396 56.400 -0.006 0.000 0.976 479 E CB 0.000 29.694 29.700 -0.010 0.000 0.812 479 E HN 0.000 nan 8.360 nan 0.000 0.440