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 3cqy_1_B DATA FIRST_RESID 2 DATA SEQUENCE NKAYYIGLXS GTSXDGVDAV LVDFAGEQPQ LIGTHTETIP THLLKGLQRL DATA SEQUENCE CLPGTDEINR LGRLDRSVGK LFALAVNNLL AKTKIAKDEI IAIGSHGQTV DATA SEQUENCE RHXPNLEVGF TLQIGDPNTI ATETGIDVIA DFRRKDIALG GQGAPLVPAF DATA SEQUENCE HQQTFAQVGK KRVILNIGGI ANITYLPGNS EEVLGFDTGP GNTLIDAWVQ DATA SEQUENCE QVKNESYDKN GAWAASGKTD PQLLAQLLSH PYFSLAYPKS TGRELFNQAW DATA SEQUENCE LEQQLSAFNQ LNEEDIQSTL LDLTCHSIAQ DILKLAQEGE LFVCGGGAFN DATA SEQUENCE AELXQRLAAL LPGYRIDTTS ALGVDPKWAE GIAFAWLAXR YQLGLPANLP DATA SEQUENCE AVTGASREAI LGGRFSAK 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 2 N HA 0.000 nan 4.740 nan 0.000 0.220 2 N C 0.000 175.449 175.510 -0.102 0.000 1.280 2 N CA 0.000 53.018 53.050 -0.054 0.000 0.885 2 N CB 0.000 38.459 38.487 -0.047 0.000 1.341 3 K N 1.216 121.508 120.400 -0.180 0.000 2.270 3 K HA 0.666 4.986 4.320 -0.000 0.000 0.255 3 K C -1.261 175.155 176.600 -0.306 0.000 0.936 3 K CA -0.544 55.522 56.287 -0.369 0.000 0.809 3 K CB 2.401 34.474 32.500 -0.712 0.000 1.131 3 K HN 0.233 nan 8.250 nan 0.000 0.427 4 A N 3.493 126.177 122.820 -0.227 0.000 2.709 4 A HA 0.375 4.695 4.320 -0.000 0.000 0.332 4 A C -1.444 176.200 177.584 0.099 0.000 1.241 4 A CA -0.656 51.370 52.037 -0.017 0.000 0.782 4 A CB 0.059 19.192 19.000 0.221 0.000 1.109 4 A HN 0.547 nan 8.150 nan 0.000 0.472 5 Y N 0.937 121.236 120.300 -0.001 0.000 2.365 5 Y HA 0.499 5.049 4.550 -0.000 0.000 0.340 5 Y C -0.199 175.615 175.900 -0.144 0.000 1.016 5 Y CA -0.391 57.699 58.100 -0.016 0.000 1.196 5 Y CB 0.259 38.688 38.460 -0.051 0.000 1.167 5 Y HN 0.579 nan 8.280 nan 0.000 0.509 6 Y N 2.468 122.933 120.300 0.276 0.000 2.536 6 Y HA 0.629 5.179 4.550 -0.000 0.000 0.347 6 Y C -0.381 175.620 175.900 0.167 0.000 1.000 6 Y CA -1.100 57.149 58.100 0.249 0.000 1.051 6 Y CB 1.869 40.564 38.460 0.392 0.000 1.259 6 Y HN 0.317 nan 8.280 nan 0.000 0.468 7 I N 1.438 122.199 120.570 0.319 0.000 2.474 7 I HA 0.593 4.762 4.170 -0.000 0.000 0.294 7 I C 0.064 176.337 176.117 0.261 0.000 1.005 7 I CA -0.671 60.752 61.300 0.206 0.000 1.113 7 I CB 1.935 40.008 38.000 0.121 0.000 1.289 7 I HN 0.767 nan 8.210 nan 0.000 0.436 8 G N 6.579 115.509 108.800 0.217 0.000 2.416 8 G HA2 0.754 4.714 3.960 -0.000 0.000 0.324 8 G HA3 0.754 4.714 3.960 -0.000 0.000 0.324 8 G C -0.912 174.101 174.900 0.189 0.000 1.194 8 G CA -0.338 44.915 45.100 0.255 0.000 0.922 8 G HN 0.410 nan 8.290 nan 0.000 0.467 12 G N 1.843 110.640 108.800 -0.005 0.000 2.616 12 G HA2 0.413 4.373 3.960 -0.000 0.000 0.268 12 G HA3 0.413 4.373 3.960 -0.000 0.000 0.268 12 G C 1.206 176.113 174.900 0.012 0.000 1.213 12 G CA 0.134 45.219 45.100 -0.024 0.000 0.926 12 G HN 1.036 nan 8.290 nan 0.000 0.523 13 T N -1.851 112.710 114.554 0.011 0.000 3.113 13 T HA 0.055 4.405 4.350 -0.000 0.000 0.263 13 T C 1.349 176.063 174.700 0.023 0.000 1.143 13 T CA 0.720 62.837 62.100 0.029 0.000 1.090 13 T CB -0.159 68.729 68.868 0.033 0.000 0.922 13 T HN 0.261 nan 8.240 nan 0.000 0.521 17 G N -0.751 108.006 108.800 -0.072 0.000 2.362 17 G HA2 0.293 4.253 3.960 -0.000 0.000 0.656 17 G HA3 0.293 4.253 3.960 -0.000 0.000 0.656 17 G C -1.259 173.576 174.900 -0.109 0.000 1.376 17 G CA -0.542 44.505 45.100 -0.090 0.000 0.971 17 G HN 0.506 nan 8.290 nan 0.000 0.636 18 V N 1.984 121.801 119.914 -0.162 0.000 2.389 18 V HA 0.319 4.439 4.120 -0.000 0.000 0.264 18 V C -0.184 175.777 176.094 -0.221 0.000 1.049 18 V CA -0.598 61.523 62.300 -0.299 0.000 0.932 18 V CB 1.179 32.684 31.823 -0.530 0.000 1.011 18 V HN 0.602 nan 8.190 nan 0.000 0.475 19 D N 4.452 124.773 120.400 -0.131 0.000 2.277 19 D HA 0.581 5.220 4.640 -0.000 0.000 0.249 19 D C 0.082 176.408 176.300 0.044 0.000 1.134 19 D CA 0.221 54.263 54.000 0.070 0.000 0.863 19 D CB 2.007 42.908 40.800 0.168 0.000 1.143 19 D HN 0.685 nan 8.370 nan 0.000 0.458 20 A N 1.862 124.727 122.820 0.076 0.000 2.356 20 A HA 0.617 4.937 4.320 -0.000 0.000 0.310 20 A C -0.413 177.151 177.584 -0.033 0.000 1.075 20 A CA -0.739 51.310 52.037 0.021 0.000 0.746 20 A CB 1.323 20.331 19.000 0.014 0.000 1.221 20 A HN 0.364 nan 8.150 nan 0.000 0.443 21 V N 0.627 120.536 119.914 -0.007 0.000 2.735 21 V HA 0.853 4.973 4.120 -0.000 0.000 0.310 21 V C -0.944 175.122 176.094 -0.046 0.000 1.061 21 V CA -0.933 61.319 62.300 -0.080 0.000 0.913 21 V CB 1.461 33.286 31.823 0.003 0.000 1.005 21 V HN 1.027 nan 8.190 nan 0.000 0.428 22 L N 5.341 126.498 121.223 -0.110 0.000 2.305 22 L HA 0.855 5.195 4.340 -0.000 0.000 0.284 22 L C -0.577 176.239 176.870 -0.089 0.000 1.013 22 L CA -0.113 54.670 54.840 -0.094 0.000 0.819 22 L CB 1.422 43.374 42.059 -0.179 0.000 1.227 22 L HN 0.686 nan 8.230 nan 0.000 0.417 23 V N 3.581 123.470 119.914 -0.042 0.000 2.735 23 V HA 0.480 4.599 4.120 -0.000 0.000 0.310 23 V C -0.981 175.071 176.094 -0.070 0.000 1.061 23 V CA -0.748 61.449 62.300 -0.172 0.000 0.913 23 V CB 1.940 33.481 31.823 -0.469 0.000 1.005 23 V HN 0.712 nan 8.190 nan 0.000 0.428 24 D N 1.928 122.279 120.400 -0.082 0.000 2.349 24 D HA 0.424 5.064 4.640 -0.000 0.000 0.232 24 D C -0.214 176.013 176.300 -0.123 0.000 1.071 24 D CA -0.338 53.671 54.000 0.015 0.000 0.832 24 D CB 1.225 42.076 40.800 0.085 0.000 1.086 24 D HN 0.331 nan 8.370 nan 0.000 0.504 25 F N 2.042 122.110 119.950 0.196 0.000 2.664 25 F HA 0.293 4.820 4.527 -0.000 0.000 0.303 25 F C 2.027 177.889 175.800 0.102 0.000 1.092 25 F CA -0.215 57.880 58.000 0.157 0.000 1.305 25 F CB 0.022 39.108 39.000 0.143 0.000 1.054 25 F HN 0.509 nan 8.300 nan 0.000 0.565 26 A N 0.193 123.134 122.820 0.201 0.000 1.968 26 A HA 0.212 4.532 4.320 -0.000 0.000 0.217 26 A C 1.929 179.570 177.584 0.095 0.000 1.169 26 A CA 1.174 53.281 52.037 0.117 0.000 0.638 26 A CB -1.045 17.974 19.000 0.032 0.000 0.812 26 A HN 0.313 nan 8.150 nan 0.000 0.446 27 G N -1.581 107.274 108.800 0.092 0.000 2.543 27 G HA2 0.341 4.301 3.960 -0.000 0.000 0.290 27 G HA3 0.341 4.301 3.960 -0.000 0.000 0.290 27 G C 0.538 175.493 174.900 0.091 0.000 1.310 27 G CA 0.443 45.587 45.100 0.072 0.000 1.025 27 G HN 0.244 nan 8.290 nan 0.000 0.502 28 E N -1.094 119.145 120.200 0.064 0.000 2.077 28 E HA -0.071 4.278 4.350 -0.000 0.000 0.193 28 E C 0.941 177.584 176.600 0.070 0.000 0.989 28 E CA 1.160 57.595 56.400 0.058 0.000 0.800 28 E CB 0.083 29.802 29.700 0.032 0.000 0.746 28 E HN 0.345 nan 8.360 nan 0.000 0.452 29 Q N 0.370 120.211 119.800 0.068 0.000 2.257 29 Q HA 0.373 4.713 4.340 -0.000 0.000 0.262 29 Q C -2.325 173.747 176.000 0.120 0.000 0.997 29 Q CA -2.373 53.473 55.803 0.072 0.000 0.873 29 Q CB 1.190 29.949 28.738 0.034 0.000 1.312 29 Q HN 0.077 nan 8.270 nan 0.000 0.450 30 P HA 0.034 nan 4.420 nan 0.000 0.268 30 P C -1.022 176.289 177.300 0.019 0.000 1.205 30 P CA 0.207 63.375 63.100 0.113 0.000 0.771 30 P CB 0.426 32.256 31.700 0.217 0.000 0.858 31 Q N 1.644 121.412 119.800 -0.052 0.000 2.368 31 Q HA 0.379 4.719 4.340 -0.000 0.000 0.263 31 Q C -0.799 175.170 176.000 -0.051 0.000 1.009 31 Q CA -1.011 54.781 55.803 -0.019 0.000 0.818 31 Q CB 1.362 30.107 28.738 0.012 0.000 1.239 31 Q HN 0.301 nan 8.270 nan 0.000 0.464 32 L N 4.389 125.596 121.223 -0.027 0.000 2.456 32 L HA 0.051 4.391 4.340 -0.000 0.000 0.277 32 L C 0.246 177.075 176.870 -0.068 0.000 1.124 32 L CA 0.536 55.344 54.840 -0.054 0.000 0.880 32 L CB 0.216 42.261 42.059 -0.023 0.000 1.192 32 L HN 0.746 nan 8.230 nan 0.000 0.463 33 I N 3.632 124.147 120.570 -0.091 0.000 2.731 33 I HA 0.313 4.483 4.170 -0.000 0.000 0.260 33 I C 1.106 177.135 176.117 -0.145 0.000 1.138 33 I CA 0.678 61.921 61.300 -0.095 0.000 1.461 33 I CB -1.079 36.859 38.000 -0.104 0.000 1.128 33 I HN 0.657 nan 8.210 nan 0.000 0.438 34 G N 0.421 109.103 108.800 -0.197 0.000 2.673 34 G HA2 0.533 4.493 3.960 -0.000 0.000 0.292 34 G HA3 0.533 4.493 3.960 -0.000 0.000 0.292 34 G C -1.026 173.661 174.900 -0.354 0.000 1.450 34 G CA -0.131 44.827 45.100 -0.237 0.000 0.837 34 G HN 0.094 nan 8.290 nan 0.000 0.505 35 T N -1.880 112.406 114.554 -0.447 0.000 2.906 35 T HA 0.780 5.130 4.350 -0.000 0.000 0.295 35 T C -1.152 173.332 174.700 -0.360 0.000 1.075 35 T CA -0.834 60.823 62.100 -0.737 0.000 1.005 35 T CB 2.418 70.272 68.868 -1.690 0.000 1.136 35 T HN 1.187 nan 8.240 nan 0.000 0.498 36 H N -0.437 118.394 119.070 -0.399 0.000 3.086 36 H HA 0.531 5.087 4.556 -0.000 0.000 0.353 36 H C -1.500 173.860 175.328 0.053 0.000 1.134 36 H CA -0.210 55.767 56.048 -0.118 0.000 1.248 36 H CB 2.045 31.744 29.762 -0.106 0.000 1.878 36 H HN 0.812 nan 8.280 nan 0.000 0.527 37 T N 4.135 118.448 114.554 -0.402 0.000 2.770 37 T HA 0.216 4.566 4.350 -0.000 0.000 0.283 37 T C -0.481 173.818 174.700 -0.669 0.000 0.988 37 T CA -0.644 61.247 62.100 -0.349 0.000 0.957 37 T CB 0.970 69.789 68.868 -0.081 0.000 0.930 37 T HN 0.489 nan 8.240 nan 0.000 0.443 38 E N 2.973 122.894 120.200 -0.465 0.000 2.081 38 E HA 0.294 4.644 4.350 -0.000 0.000 0.281 38 E C -0.242 176.277 176.600 -0.135 0.000 0.986 38 E CA -0.375 55.876 56.400 -0.250 0.000 0.796 38 E CB 0.390 30.040 29.700 -0.084 0.000 1.085 38 E HN 0.489 nan 8.360 nan 0.000 0.398 39 T N 5.146 119.644 114.554 -0.093 0.000 2.902 39 T HA 0.124 4.474 4.350 -0.000 0.000 0.301 39 T C 0.717 175.386 174.700 -0.051 0.000 1.012 39 T CA 0.026 62.086 62.100 -0.066 0.000 1.151 39 T CB 0.058 68.899 68.868 -0.046 0.000 0.946 39 T HN 0.406 nan 8.240 nan 0.000 0.542 40 I N 5.916 126.455 120.570 -0.052 0.000 2.436 40 I HA 0.175 4.345 4.170 -0.000 0.000 0.289 40 I C -1.722 174.335 176.117 -0.100 0.000 1.083 40 I CA -2.089 59.179 61.300 -0.054 0.000 1.372 40 I CB 0.291 38.272 38.000 -0.031 0.000 1.408 40 I HN 0.402 nan 8.210 nan 0.000 0.516 41 P HA 0.078 nan 4.420 nan 0.000 0.270 41 P C 0.738 177.856 177.300 -0.303 0.000 1.223 41 P CA -0.235 62.704 63.100 -0.267 0.000 0.785 41 P CB 0.391 31.817 31.700 -0.457 0.000 0.923 42 T N -0.491 113.941 114.554 -0.204 0.000 2.746 42 T HA -0.212 4.138 4.350 -0.000 0.000 0.267 42 T C 1.521 176.168 174.700 -0.087 0.000 1.039 42 T CA 2.145 64.184 62.100 -0.102 0.000 1.142 42 T CB -1.258 67.595 68.868 -0.026 0.000 0.866 42 T HN 0.660 nan 8.240 nan 0.000 0.444 43 H N 1.123 120.202 119.070 0.015 0.000 2.387 43 H HA 0.071 4.627 4.556 -0.000 0.000 0.299 43 H C 2.094 177.432 175.328 0.017 0.000 1.099 43 H CA 1.116 57.172 56.048 0.014 0.000 1.315 43 H CB -0.770 28.999 29.762 0.013 0.000 1.380 43 H HN 0.295 nan 8.280 nan 0.000 0.513 44 L N -0.012 121.101 121.223 -0.184 0.000 2.131 44 L HA 0.098 4.438 4.340 -0.000 0.000 0.206 44 L C 2.233 179.094 176.870 -0.015 0.000 1.087 44 L CA 1.035 55.864 54.840 -0.019 0.000 0.767 44 L CB -0.663 41.347 42.059 -0.081 0.000 0.917 44 L HN 0.399 nan 8.230 nan 0.000 0.441 45 L N -0.438 120.752 121.223 -0.055 0.000 2.013 45 L HA -0.295 4.045 4.340 -0.000 0.000 0.212 45 L C 2.613 179.488 176.870 0.009 0.000 1.073 45 L CA 1.752 56.581 54.840 -0.018 0.000 0.753 45 L CB -0.405 41.637 42.059 -0.029 0.000 0.890 45 L HN 0.277 nan 8.230 nan 0.000 0.432 46 K N -0.648 119.762 120.400 0.017 0.000 2.057 46 K HA -0.142 4.178 4.320 -0.000 0.000 0.207 46 K C 2.041 178.665 176.600 0.040 0.000 1.049 46 K CA 1.261 57.568 56.287 0.033 0.000 0.931 46 K CB -0.495 32.031 32.500 0.043 0.000 0.714 46 K HN 0.442 nan 8.250 nan 0.000 0.440 47 G N 1.605 110.435 108.800 0.051 0.000 2.446 47 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.217 47 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.217 47 G C 1.502 176.425 174.900 0.039 0.000 1.168 47 G CA 0.671 45.800 45.100 0.049 0.000 0.771 47 G HN 0.102 nan 8.290 nan 0.000 0.551 48 L N -0.141 121.104 121.223 0.036 0.000 2.042 48 L HA -0.169 4.171 4.340 -0.000 0.000 0.210 48 L C 3.187 180.078 176.870 0.036 0.000 1.076 48 L CA 1.385 56.245 54.840 0.034 0.000 0.749 48 L CB -0.461 41.618 42.059 0.033 0.000 0.893 48 L HN 0.299 nan 8.230 nan 0.000 0.432 49 Q N -0.331 119.490 119.800 0.035 0.000 2.084 49 Q HA -0.205 4.135 4.340 -0.000 0.000 0.202 49 Q C 2.255 178.278 176.000 0.038 0.000 0.978 49 Q CA 1.339 57.164 55.803 0.038 0.000 0.844 49 Q CB -0.114 28.645 28.738 0.036 0.000 0.898 49 Q HN 0.420 nan 8.270 nan 0.000 0.426 50 R N 0.339 120.861 120.500 0.035 0.000 2.303 50 R HA -0.085 4.255 4.340 -0.000 0.000 0.225 50 R C 1.687 178.007 176.300 0.033 0.000 1.114 50 R CA 0.631 56.751 56.100 0.033 0.000 1.007 50 R CB -0.200 30.118 30.300 0.031 0.000 0.861 50 R HN 0.274 nan 8.270 nan 0.000 0.471 51 L N -0.294 120.950 121.223 0.035 0.000 2.610 51 L HA -0.039 4.301 4.340 -0.000 0.000 0.232 51 L C 0.517 177.412 176.870 0.042 0.000 1.149 51 L CA 0.091 54.953 54.840 0.036 0.000 0.872 51 L CB 0.211 42.291 42.059 0.035 0.000 0.992 51 L HN 0.221 nan 8.230 nan 0.000 0.447 52 C N 0.694 120.020 119.300 0.043 0.000 2.534 52 C HA 0.473 4.933 4.460 -0.000 0.000 0.285 52 C C 0.233 175.249 174.990 0.043 0.000 1.505 52 C CA -0.625 58.421 59.018 0.047 0.000 1.715 52 C CB -0.936 26.835 27.740 0.051 0.000 2.935 52 C HN 0.343 nan 8.230 nan 0.000 0.540 53 L N 2.135 123.380 121.223 0.037 0.000 2.628 53 L HA 0.449 4.788 4.340 -0.000 0.000 0.258 53 L C -2.696 174.191 176.870 0.028 0.000 1.027 53 L CA -0.983 53.877 54.840 0.033 0.000 0.910 53 L CB 1.668 43.746 42.059 0.033 0.000 1.157 53 L HN -0.020 nan 8.230 nan 0.000 0.452 54 P HA 0.244 nan 4.420 nan 0.000 0.273 54 P C 0.687 177.998 177.300 0.020 0.000 1.250 54 P CA 1.061 64.175 63.100 0.023 0.000 0.793 54 P CB 0.900 32.615 31.700 0.024 0.000 1.011 55 G N 0.177 108.986 108.800 0.016 0.000 2.258 55 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.274 55 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.274 55 G C 0.389 175.297 174.900 0.013 0.000 1.021 55 G CA 0.728 45.836 45.100 0.013 0.000 0.798 55 G HN 0.912 nan 8.290 nan 0.000 0.507 56 T N -3.184 111.378 114.554 0.013 0.000 3.571 56 T HA 0.450 4.800 4.350 -0.000 0.000 0.292 56 T C 0.158 174.865 174.700 0.011 0.000 0.994 56 T CA 0.742 62.850 62.100 0.013 0.000 0.996 56 T CB 0.655 69.533 68.868 0.017 0.000 1.185 56 T HN 0.746 nan 8.240 nan 0.000 0.482 57 D N 2.362 122.767 120.400 0.008 0.000 2.716 57 D HA -0.172 4.468 4.640 -0.000 0.000 0.239 57 D C 1.068 177.371 176.300 0.004 0.000 1.125 57 D CA 1.238 55.241 54.000 0.005 0.000 0.681 57 D CB -1.077 39.725 40.800 0.004 0.000 1.070 57 D HN 0.896 nan 8.370 nan 0.000 0.432 58 E N -0.377 119.827 120.200 0.006 0.000 2.110 58 E HA -0.172 4.178 4.350 -0.000 0.000 0.193 58 E C 2.275 178.876 176.600 0.002 0.000 0.988 58 E CA 0.941 57.346 56.400 0.008 0.000 0.804 58 E CB -0.227 29.481 29.700 0.014 0.000 0.745 58 E HN 0.572 nan 8.360 nan 0.000 0.458 59 I N 1.774 122.341 120.570 -0.005 0.000 2.179 59 I HA -0.246 3.924 4.170 -0.000 0.000 0.242 59 I C 1.993 178.103 176.117 -0.012 0.000 1.088 59 I CA 1.081 62.374 61.300 -0.013 0.000 1.357 59 I CB -0.355 37.633 38.000 -0.020 0.000 1.051 59 I HN 0.111 nan 8.210 nan 0.000 0.409 60 N N 0.654 119.349 118.700 -0.009 0.000 2.166 60 N HA -0.199 4.541 4.740 -0.000 0.000 0.186 60 N C 1.870 177.377 175.510 -0.006 0.000 1.019 60 N CA 1.099 54.144 53.050 -0.008 0.000 0.856 60 N CB -0.433 38.050 38.487 -0.006 0.000 0.993 60 N HN 0.301 nan 8.380 nan 0.000 0.426 61 R N 0.497 120.997 120.500 -0.001 0.000 2.081 61 R HA -0.066 4.274 4.340 -0.000 0.000 0.235 61 R C 2.119 178.419 176.300 0.000 0.000 1.131 61 R CA 0.838 56.940 56.100 0.003 0.000 0.960 61 R CB -0.391 29.914 30.300 0.010 0.000 0.856 61 R HN 0.140 nan 8.270 nan 0.000 0.436 62 L N 0.306 121.527 121.223 -0.003 0.000 2.012 62 L HA -0.072 4.268 4.340 -0.000 0.000 0.210 62 L C 2.187 179.044 176.870 -0.021 0.000 1.073 62 L CA 2.438 57.272 54.840 -0.010 0.000 0.748 62 L CB -0.950 41.103 42.059 -0.011 0.000 0.891 62 L HN 0.307 nan 8.230 nan 0.000 0.431 63 G N -1.113 107.674 108.800 -0.022 0.000 2.421 63 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.216 63 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.216 63 G C 1.762 176.646 174.900 -0.027 0.000 1.171 63 G CA 0.810 45.893 45.100 -0.028 0.000 0.775 63 G HN 0.402 nan 8.290 nan 0.000 0.543 64 R N -0.108 120.382 120.500 -0.017 0.000 2.097 64 R HA -0.012 4.328 4.340 -0.000 0.000 0.236 64 R C 2.636 178.930 176.300 -0.010 0.000 1.135 64 R CA 1.496 57.589 56.100 -0.011 0.000 0.934 64 R CB -0.435 29.863 30.300 -0.003 0.000 0.846 64 R HN 0.391 nan 8.270 nan 0.000 0.431 65 L N 0.303 121.523 121.223 -0.007 0.000 2.131 65 L HA -0.168 4.171 4.340 -0.000 0.000 0.210 65 L C 2.185 179.035 176.870 -0.033 0.000 1.092 65 L CA 1.409 56.246 54.840 -0.004 0.000 0.759 65 L CB -0.571 41.491 42.059 0.006 0.000 0.903 65 L HN 0.336 nan 8.230 nan 0.000 0.435 66 D N 0.090 120.458 120.400 -0.053 0.000 2.149 66 D HA -0.207 4.433 4.640 -0.000 0.000 0.198 66 D C 2.360 178.599 176.300 -0.101 0.000 0.990 66 D CA 1.280 55.222 54.000 -0.095 0.000 0.839 66 D CB 0.181 40.926 40.800 -0.093 0.000 0.948 66 D HN 0.042 nan 8.370 nan 0.000 0.460 67 R N 0.050 120.511 120.500 -0.064 0.000 2.062 67 R HA 0.008 4.348 4.340 -0.000 0.000 0.231 67 R C 2.573 178.856 176.300 -0.028 0.000 1.136 67 R CA 1.112 57.181 56.100 -0.051 0.000 0.948 67 R CB -0.867 29.414 30.300 -0.032 0.000 0.845 67 R HN 0.192 nan 8.270 nan 0.000 0.430 68 S N 0.843 116.540 115.700 -0.005 0.000 2.370 68 S HA -0.103 4.367 4.470 -0.000 0.000 0.226 68 S C 2.184 176.807 174.600 0.038 0.000 1.033 68 S CA 1.363 59.582 58.200 0.032 0.000 1.011 68 S CB -0.267 62.968 63.200 0.059 0.000 0.852 68 S HN 0.059 nan 8.310 nan 0.000 0.457 69 V N 1.571 121.482 119.914 -0.005 0.000 2.358 69 V HA -0.111 4.009 4.120 -0.000 0.000 0.246 69 V C 2.627 178.693 176.094 -0.047 0.000 1.047 69 V CA 1.855 64.145 62.300 -0.017 0.000 1.035 69 V CB -1.460 30.288 31.823 -0.124 0.000 0.658 69 V HN 0.589 nan 8.190 nan 0.000 0.452 70 G N -0.244 108.485 108.800 -0.119 0.000 2.422 70 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.218 70 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.218 70 G C 1.665 176.588 174.900 0.039 0.000 1.146 70 G CA 0.785 45.826 45.100 -0.098 0.000 0.769 70 G HN 0.478 nan 8.290 nan 0.000 0.547 71 K N -0.590 119.837 120.400 0.044 0.000 2.097 71 K HA 0.053 4.373 4.320 -0.000 0.000 0.205 71 K C 2.319 178.988 176.600 0.114 0.000 1.050 71 K CA 0.733 57.061 56.287 0.068 0.000 0.938 71 K CB -0.232 32.299 32.500 0.052 0.000 0.718 71 K HN 0.250 nan 8.250 nan 0.000 0.442 72 L N 0.219 121.534 121.223 0.153 0.000 2.056 72 L HA -0.086 4.254 4.340 -0.000 0.000 0.207 72 L C 1.832 178.838 176.870 0.227 0.000 1.078 72 L CA 1.545 56.490 54.840 0.175 0.000 0.749 72 L CB -0.326 41.841 42.059 0.180 0.000 0.901 72 L HN 0.006 nan 8.230 nan 0.000 0.433 73 F N -0.093 119.866 119.950 0.015 0.000 2.134 73 F HA -0.188 4.339 4.527 -0.000 0.000 0.299 73 F C 2.515 178.333 175.800 0.029 0.000 1.097 73 F CA 1.180 59.193 58.000 0.022 0.000 1.264 73 F CB -1.292 37.711 39.000 0.005 0.000 1.001 73 F HN 0.190 nan 8.300 nan 0.000 0.479 74 A N -0.300 122.640 122.820 0.199 0.000 1.902 74 A HA -0.167 4.153 4.320 -0.000 0.000 0.217 74 A C 2.155 179.784 177.584 0.074 0.000 1.181 74 A CA 1.527 53.630 52.037 0.110 0.000 0.623 74 A CB -1.160 17.886 19.000 0.077 0.000 0.818 74 A HN 0.325 nan 8.150 nan 0.000 0.443 75 L N -0.061 121.208 121.223 0.078 0.000 2.012 75 L HA -0.138 4.201 4.340 -0.000 0.000 0.210 75 L C 2.727 179.634 176.870 0.061 0.000 1.073 75 L CA 2.265 57.140 54.840 0.059 0.000 0.748 75 L CB -0.896 41.204 42.059 0.069 0.000 0.891 75 L HN 0.376 nan 8.230 nan 0.000 0.431 76 A N -1.205 121.660 122.820 0.076 0.000 1.892 76 A HA -0.214 4.106 4.320 -0.000 0.000 0.218 76 A C 2.299 179.933 177.584 0.083 0.000 1.188 76 A CA 2.347 54.455 52.037 0.118 0.000 0.631 76 A CB -1.227 17.755 19.000 -0.030 0.000 0.822 76 A HN 0.330 nan 8.150 nan 0.000 0.447 77 V N 0.772 120.707 119.914 0.036 0.000 2.295 77 V HA -0.249 3.871 4.120 -0.000 0.000 0.246 77 V C 2.272 178.351 176.094 -0.025 0.000 1.049 77 V CA 2.202 64.510 62.300 0.013 0.000 1.024 77 V CB -0.923 30.922 31.823 0.038 0.000 0.648 77 V HN 0.570 nan 8.190 nan 0.000 0.447 78 N N 0.490 119.178 118.700 -0.020 0.000 2.270 78 N HA -0.097 4.642 4.740 -0.000 0.000 0.181 78 N C 1.647 177.100 175.510 -0.095 0.000 1.016 78 N CA 1.031 54.054 53.050 -0.044 0.000 0.870 78 N CB -0.501 37.974 38.487 -0.020 0.000 0.979 78 N HN 0.447 nan 8.380 nan 0.000 0.431 79 N N 0.910 119.529 118.700 -0.136 0.000 2.216 79 N HA -0.068 4.672 4.740 -0.000 0.000 0.183 79 N C 1.775 177.047 175.510 -0.396 0.000 1.017 79 N CA 0.250 53.125 53.050 -0.292 0.000 0.861 79 N CB -0.374 37.865 38.487 -0.413 0.000 0.986 79 N HN 0.177 nan 8.380 nan 0.000 0.428 80 L N 1.278 122.317 121.223 -0.307 0.000 2.017 80 L HA -0.046 4.293 4.340 -0.000 0.000 0.208 80 L C 1.947 178.713 176.870 -0.174 0.000 1.073 80 L CA 1.411 56.122 54.840 -0.215 0.000 0.745 80 L CB -0.691 41.313 42.059 -0.093 0.000 0.894 80 L HN 0.091 nan 8.230 nan 0.000 0.432 81 L N -0.462 120.678 121.223 -0.138 0.000 2.083 81 L HA -0.186 4.154 4.340 -0.000 0.000 0.209 81 L C 2.654 179.452 176.870 -0.121 0.000 1.083 81 L CA 1.170 55.935 54.840 -0.124 0.000 0.752 81 L CB -0.983 41.021 42.059 -0.092 0.000 0.899 81 L HN 0.422 nan 8.230 nan 0.000 0.433 82 A N -0.382 122.362 122.820 -0.125 0.000 2.015 82 A HA -0.196 4.124 4.320 -0.000 0.000 0.219 82 A C 2.366 179.882 177.584 -0.114 0.000 1.163 82 A CA 1.402 53.374 52.037 -0.109 0.000 0.646 82 A CB -0.289 18.647 19.000 -0.106 0.000 0.806 82 A HN 0.278 nan 8.150 nan 0.000 0.448 83 K N -0.743 119.569 120.400 -0.146 0.000 2.228 83 K HA -0.079 4.241 4.320 -0.000 0.000 0.202 83 K C 1.821 178.353 176.600 -0.114 0.000 1.051 83 K CA 1.573 57.781 56.287 -0.133 0.000 0.960 83 K CB 0.007 32.407 32.500 -0.167 0.000 0.743 83 K HN 0.669 nan 8.250 nan 0.000 0.458 84 T N -2.973 111.505 114.554 -0.126 0.000 3.001 84 T HA 0.143 4.493 4.350 -0.000 0.000 0.251 84 T C 0.115 174.748 174.700 -0.111 0.000 1.040 84 T CA -0.257 61.767 62.100 -0.127 0.000 0.985 84 T CB 0.128 68.895 68.868 -0.169 0.000 1.011 84 T HN -0.018 nan 8.240 nan 0.000 0.509 85 K N 1.304 121.644 120.400 -0.099 0.000 3.071 85 K HA -0.103 4.217 4.320 -0.000 0.000 0.262 85 K C -0.543 176.005 176.600 -0.086 0.000 0.977 85 K CA 0.404 56.644 56.287 -0.079 0.000 0.721 85 K CB -2.047 30.419 32.500 -0.057 0.000 1.293 85 K HN 0.484 nan 8.250 nan 0.000 0.475 86 I N 0.454 120.948 120.570 -0.127 0.000 2.437 86 I HA 0.451 4.621 4.170 -0.000 0.000 0.298 86 I C 1.017 177.075 176.117 -0.099 0.000 0.984 86 I CA -0.974 60.239 61.300 -0.145 0.000 1.214 86 I CB 1.310 39.117 38.000 -0.322 0.000 1.365 86 I HN 0.268 nan 8.210 nan 0.000 0.469 87 A N 5.891 128.678 122.820 -0.054 0.000 2.302 87 A HA 0.349 4.669 4.320 -0.000 0.000 0.285 87 A C 1.232 178.798 177.584 -0.030 0.000 1.105 87 A CA -0.580 51.436 52.037 -0.035 0.000 0.816 87 A CB 0.505 19.496 19.000 -0.014 0.000 1.067 87 A HN 0.827 nan 8.150 nan 0.000 0.489 88 K N 0.715 121.101 120.400 -0.024 0.000 2.152 88 K HA -0.204 4.116 4.320 -0.000 0.000 0.206 88 K C 0.507 177.107 176.600 -0.001 0.000 1.048 88 K CA 1.905 58.183 56.287 -0.015 0.000 0.933 88 K CB -0.280 32.215 32.500 -0.008 0.000 0.721 88 K HN 0.766 nan 8.250 nan 0.000 0.447 89 D N 1.233 121.636 120.400 0.004 0.000 2.348 89 D HA -0.140 4.500 4.640 -0.000 0.000 0.216 89 D C 1.010 177.324 176.300 0.024 0.000 0.970 89 D CA 0.691 54.698 54.000 0.011 0.000 0.889 89 D CB -0.016 40.789 40.800 0.010 0.000 0.912 89 D HN 0.515 nan 8.370 nan 0.000 0.524 90 E N 0.067 120.294 120.200 0.045 0.000 2.442 90 E HA 0.058 4.408 4.350 -0.000 0.000 0.195 90 E C 0.445 177.123 176.600 0.130 0.000 1.030 90 E CA -0.047 56.420 56.400 0.111 0.000 0.869 90 E CB 0.525 30.342 29.700 0.196 0.000 0.857 90 E HN 0.264 nan 8.360 nan 0.000 0.505 91 I N 1.750 122.350 120.570 0.051 0.000 2.352 91 I HA 0.057 4.227 4.170 -0.000 0.000 0.290 91 I C 1.408 177.486 176.117 -0.066 0.000 1.036 91 I CA 0.126 61.433 61.300 0.011 0.000 1.336 91 I CB 0.651 38.651 38.000 -0.001 0.000 1.407 91 I HN 0.043 nan 8.210 nan 0.000 0.497 92 I N 4.592 125.032 120.570 -0.217 0.000 2.133 92 I HA -0.095 4.075 4.170 -0.000 0.000 0.238 92 I C 1.106 177.125 176.117 -0.164 0.000 1.074 92 I CA 1.258 62.379 61.300 -0.298 0.000 1.342 92 I CB 0.084 37.691 38.000 -0.655 0.000 1.053 92 I HN 0.741 nan 8.210 nan 0.000 0.404 93 A N -0.240 122.487 122.820 -0.155 0.000 2.606 93 A HA 0.699 5.019 4.320 -0.000 0.000 0.293 93 A C -1.160 176.553 177.584 0.215 0.000 1.082 93 A CA -0.549 51.551 52.037 0.105 0.000 0.685 93 A CB 0.986 20.127 19.000 0.233 0.000 1.284 93 A HN 0.062 nan 8.150 nan 0.000 0.408 94 I N 1.057 121.752 120.570 0.208 0.000 2.385 94 I HA 0.499 4.668 4.170 -0.000 0.000 0.294 94 I C 0.884 177.195 176.117 0.323 0.000 0.988 94 I CA -0.165 61.282 61.300 0.245 0.000 1.265 94 I CB 1.898 40.009 38.000 0.185 0.000 1.388 94 I HN 0.731 nan 8.210 nan 0.000 0.480 95 G N 3.554 112.592 108.800 0.397 0.000 2.468 95 G HA2 0.384 4.344 3.960 -0.000 0.000 0.320 95 G HA3 0.384 4.344 3.960 -0.000 0.000 0.320 95 G C -0.714 174.527 174.900 0.568 0.000 1.137 95 G CA -0.242 45.192 45.100 0.557 0.000 0.984 95 G HN 0.486 nan 8.290 nan 0.000 0.462 96 S N 1.593 117.624 115.700 0.552 0.000 2.438 96 S HA 0.208 4.678 4.470 -0.000 0.000 0.316 96 S C 1.110 175.965 174.600 0.426 0.000 1.084 96 S CA -0.714 57.743 58.200 0.429 0.000 1.107 96 S CB 0.607 63.974 63.200 0.278 0.000 0.981 96 S HN 0.704 nan 8.310 nan 0.000 0.466 97 H N 4.834 123.964 119.070 0.100 0.000 2.389 97 H HA 0.075 4.631 4.556 -0.000 0.000 0.299 97 H C 1.218 176.536 175.328 -0.016 0.000 1.081 97 H CA 2.019 57.973 56.048 -0.157 0.000 1.345 97 H CB -0.233 28.987 29.762 -0.903 0.000 1.393 97 H HN 0.985 nan 8.280 nan 0.000 0.520 98 G N 0.353 109.140 108.800 -0.021 0.000 2.632 98 G HA2 -0.293 3.666 3.960 -0.000 0.000 0.224 98 G HA3 -0.293 3.666 3.960 -0.000 0.000 0.224 98 G C -0.734 174.166 174.900 0.001 0.000 1.341 98 G CA 0.194 45.094 45.100 -0.333 0.000 0.880 98 G HN 0.628 nan 8.290 nan 0.000 0.566 99 Q N -0.158 119.576 119.800 -0.109 0.000 2.339 99 Q HA 0.634 4.974 4.340 -0.000 0.000 0.268 99 Q C 0.115 176.138 176.000 0.038 0.000 1.027 99 Q CA -0.029 55.815 55.803 0.068 0.000 0.759 99 Q CB 1.102 29.859 28.738 0.031 0.000 1.244 99 Q HN 0.758 nan 8.270 nan 0.000 0.464 100 T N 3.513 118.154 114.554 0.146 0.000 2.867 100 T HA 0.094 4.444 4.350 -0.000 0.000 0.297 100 T C 0.777 175.531 174.700 0.090 0.000 0.989 100 T CA -0.048 62.126 62.100 0.124 0.000 1.159 100 T CB 0.810 69.788 68.868 0.183 0.000 0.928 100 T HN 0.527 nan 8.240 nan 0.000 0.538 101 V N 3.808 123.772 119.914 0.084 0.000 2.788 101 V HA 0.243 4.363 4.120 -0.000 0.000 0.241 101 V C 0.950 177.111 176.094 0.112 0.000 1.083 101 V CA 0.858 63.208 62.300 0.083 0.000 1.103 101 V CB 0.056 31.917 31.823 0.063 0.000 0.800 101 V HN 0.615 nan 8.190 nan 0.000 0.476 102 R N -0.591 120.000 120.500 0.152 0.000 2.698 102 R HA 0.611 4.951 4.340 -0.000 0.000 0.275 102 R C -1.305 175.090 176.300 0.158 0.000 1.001 102 R CA -0.553 55.645 56.100 0.163 0.000 0.896 102 R CB 2.019 32.488 30.300 0.283 0.000 1.218 102 R HN 0.433 nan 8.270 nan 0.000 0.462 106 N N 0.728 119.332 118.700 -0.159 0.000 2.280 106 N HA 0.154 4.894 4.740 -0.000 0.000 0.192 106 N C 0.472 175.943 175.510 -0.065 0.000 1.109 106 N CA 0.021 53.024 53.050 -0.079 0.000 0.855 106 N CB 1.363 39.822 38.487 -0.047 0.000 0.974 106 N HN 0.303 nan 8.380 nan 0.000 0.482 107 L N 1.981 123.148 121.223 -0.095 0.000 2.385 107 L HA 0.059 4.399 4.340 -0.000 0.000 0.285 107 L C 0.965 177.851 176.870 0.026 0.000 1.125 107 L CA 0.252 55.073 54.840 -0.031 0.000 0.890 107 L CB -0.139 41.899 42.059 -0.035 0.000 1.251 107 L HN 0.172 nan 8.230 nan 0.000 0.445 108 E N 1.446 121.660 120.200 0.023 0.000 3.304 108 E HA -0.400 3.950 4.350 -0.000 0.000 0.365 108 E C 1.263 177.886 176.600 0.039 0.000 1.512 108 E CA 2.304 58.724 56.400 0.034 0.000 1.642 108 E CB -0.690 29.040 29.700 0.050 0.000 1.738 108 E HN 0.412 nan 8.360 nan 0.000 0.483 109 V N -0.141 119.808 119.914 0.058 0.000 2.265 109 V HA -0.289 3.831 4.120 -0.000 0.000 0.260 109 V C 1.480 177.620 176.094 0.076 0.000 1.084 109 V CA 2.608 64.951 62.300 0.071 0.000 1.086 109 V CB -1.910 29.969 31.823 0.093 0.000 0.704 109 V HN 1.211 nan 8.190 nan 0.000 0.457 110 G N 0.256 109.114 108.800 0.098 0.000 3.055 110 G HA2 0.157 4.117 3.960 -0.000 0.000 0.686 110 G HA3 0.157 4.117 3.960 -0.000 0.000 0.686 110 G C -0.951 174.034 174.900 0.141 0.000 1.087 110 G CA -0.390 44.727 45.100 0.028 0.000 0.779 110 G HN 1.699 nan 8.290 nan 0.000 0.599 111 F N -1.014 118.916 119.950 -0.033 0.000 2.686 111 F HA 0.925 5.452 4.527 -0.000 0.000 0.311 111 F C -0.463 175.326 175.800 -0.017 0.000 1.128 111 F CA -0.679 57.316 58.000 -0.009 0.000 0.946 111 F CB 1.727 40.728 39.000 0.001 0.000 1.336 111 F HN 0.838 nan 8.300 nan 0.000 0.457 112 T N 2.188 116.886 114.554 0.240 0.000 2.916 112 T HA 0.609 4.959 4.350 -0.000 0.000 0.305 112 T C -2.229 172.656 174.700 0.308 0.000 1.119 112 T CA -0.611 61.619 62.100 0.217 0.000 1.008 112 T CB 1.510 70.559 68.868 0.303 0.000 1.129 112 T HN 0.892 nan 8.240 nan 0.000 0.480 113 L N 3.976 125.359 121.223 0.267 0.000 2.415 113 L HA 0.545 4.885 4.340 -0.000 0.000 0.268 113 L C -1.268 175.654 176.870 0.087 0.000 0.984 113 L CA -0.623 54.326 54.840 0.183 0.000 0.853 113 L CB 1.621 43.815 42.059 0.224 0.000 1.215 113 L HN 0.670 nan 8.230 nan 0.000 0.419 114 Q N 4.044 123.842 119.800 -0.002 0.000 2.312 114 Q HA 0.602 4.941 4.340 -0.000 0.000 0.263 114 Q C -0.447 175.473 176.000 -0.133 0.000 0.995 114 Q CA -0.236 55.504 55.803 -0.105 0.000 0.853 114 Q CB 2.792 31.367 28.738 -0.272 0.000 1.300 114 Q HN 0.631 nan 8.270 nan 0.000 0.448 115 I N -2.151 118.329 120.570 -0.151 0.000 3.076 115 I HA 0.993 5.162 4.170 -0.000 0.000 0.313 115 I C 0.091 176.007 176.117 -0.334 0.000 1.053 115 I CA -1.107 60.080 61.300 -0.190 0.000 1.048 115 I CB 1.912 39.838 38.000 -0.122 0.000 1.264 115 I HN 0.573 nan 8.210 nan 0.000 0.498 116 G N 2.245 110.832 108.800 -0.354 0.000 2.499 116 G HA2 -0.109 3.851 3.960 -0.000 0.000 0.474 116 G HA3 -0.109 3.851 3.960 -0.000 0.000 0.474 116 G C -0.937 173.718 174.900 -0.409 0.000 1.044 116 G CA -0.479 44.305 45.100 -0.526 0.000 1.316 116 G HN 1.064 nan 8.290 nan 0.000 0.617 117 D N 2.933 123.158 120.400 -0.292 0.000 2.426 117 D HA 0.206 4.846 4.640 -0.000 0.000 0.261 117 D C 0.206 176.303 176.300 -0.339 0.000 1.245 117 D CA -1.207 52.621 54.000 -0.286 0.000 0.917 117 D CB 1.176 41.861 40.800 -0.192 0.000 1.123 117 D HN 0.203 nan 8.370 nan 0.000 0.508 118 P HA -0.156 nan 4.420 nan 0.000 0.220 118 P C 0.821 177.872 177.300 -0.414 0.000 1.148 118 P CA 0.809 63.568 63.100 -0.568 0.000 0.803 118 P CB 0.266 31.316 31.700 -1.083 0.000 0.782 119 N N -0.403 118.051 118.700 -0.410 0.000 2.166 119 N HA -0.087 4.653 4.740 -0.000 0.000 0.186 119 N C 1.676 177.145 175.510 -0.069 0.000 1.019 119 N CA 1.616 54.594 53.050 -0.121 0.000 0.856 119 N CB -0.754 37.698 38.487 -0.059 0.000 0.993 119 N HN 0.193 nan 8.380 nan 0.000 0.426 120 T N 2.013 116.507 114.554 -0.100 0.000 2.812 120 T HA 0.065 4.415 4.350 -0.000 0.000 0.264 120 T C 2.179 176.861 174.700 -0.029 0.000 1.042 120 T CA 0.498 62.565 62.100 -0.055 0.000 1.140 120 T CB -0.039 68.791 68.868 -0.063 0.000 0.870 120 T HN 0.169 nan 8.240 nan 0.000 0.445 121 I N 1.541 122.084 120.570 -0.046 0.000 2.179 121 I HA -0.166 4.004 4.170 -0.000 0.000 0.242 121 I C 2.987 179.118 176.117 0.023 0.000 1.088 121 I CA 1.139 62.445 61.300 0.010 0.000 1.357 121 I CB -0.608 37.409 38.000 0.028 0.000 1.051 121 I HN 0.178 nan 8.210 nan 0.000 0.409 122 A N 0.739 123.567 122.820 0.013 0.000 1.865 122 A HA -0.229 4.091 4.320 -0.000 0.000 0.217 122 A C 2.416 180.021 177.584 0.034 0.000 1.191 122 A CA 2.677 54.739 52.037 0.042 0.000 0.623 122 A CB -1.247 17.797 19.000 0.072 0.000 0.826 122 A HN 0.397 nan 8.150 nan 0.000 0.444 123 T N 0.091 114.660 114.554 0.024 0.000 2.684 123 T HA -0.153 4.197 4.350 -0.000 0.000 0.267 123 T C 1.579 176.291 174.700 0.019 0.000 1.036 123 T CA 1.768 63.880 62.100 0.020 0.000 1.148 123 T CB -0.280 68.595 68.868 0.012 0.000 0.863 123 T HN 0.663 nan 8.240 nan 0.000 0.436 124 E N 0.265 120.477 120.200 0.019 0.000 2.489 124 E HA 0.009 4.359 4.350 -0.000 0.000 0.193 124 E C 2.085 178.700 176.600 0.024 0.000 1.057 124 E CA 0.891 57.303 56.400 0.021 0.000 0.866 124 E CB 0.152 29.867 29.700 0.024 0.000 0.916 124 E HN 0.652 nan 8.360 nan 0.000 0.500 125 T N -4.375 110.196 114.554 0.027 0.000 2.978 125 T HA 0.244 4.594 4.350 -0.000 0.000 0.248 125 T C 1.652 176.364 174.700 0.020 0.000 1.018 125 T CA 0.450 62.565 62.100 0.026 0.000 1.026 125 T CB 0.709 69.600 68.868 0.038 0.000 1.032 125 T HN 0.153 nan 8.240 nan 0.000 0.485 126 G N 1.647 110.461 108.800 0.023 0.000 2.159 126 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.256 126 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.256 126 G C -0.054 174.860 174.900 0.024 0.000 0.977 126 G CA 0.284 45.396 45.100 0.021 0.000 0.652 126 G HN 0.684 nan 8.290 nan 0.000 0.531 127 I N 0.942 121.531 120.570 0.033 0.000 2.530 127 I HA 0.346 4.516 4.170 -0.000 0.000 0.297 127 I C -0.412 175.738 176.117 0.054 0.000 1.011 127 I CA -1.213 60.110 61.300 0.038 0.000 1.107 127 I CB 1.483 39.507 38.000 0.039 0.000 1.285 127 I HN -0.138 nan 8.210 nan 0.000 0.436 128 D N 4.588 125.021 120.400 0.055 0.000 2.443 128 D HA 0.189 4.829 4.640 -0.000 0.000 0.239 128 D C -0.421 175.934 176.300 0.092 0.000 1.136 128 D CA 0.262 54.304 54.000 0.070 0.000 0.879 128 D CB 1.320 42.155 40.800 0.058 0.000 1.195 128 D HN 0.017 nan 8.370 nan 0.000 0.443 129 V N 3.361 123.341 119.914 0.110 0.000 2.487 129 V HA 0.285 4.405 4.120 -0.000 0.000 0.298 129 V C -0.054 176.100 176.094 0.101 0.000 1.028 129 V CA -0.889 61.483 62.300 0.121 0.000 0.860 129 V CB 1.829 33.706 31.823 0.090 0.000 0.991 129 V HN 0.315 nan 8.190 nan 0.000 0.427 130 I N 4.158 124.766 120.570 0.063 0.000 2.339 130 I HA 0.832 5.001 4.170 -0.000 0.000 0.290 130 I C 0.365 176.359 176.117 -0.205 0.000 0.994 130 I CA -0.124 61.103 61.300 -0.121 0.000 1.191 130 I CB 1.028 38.989 38.000 -0.066 0.000 1.343 130 I HN 0.753 nan 8.210 nan 0.000 0.458 131 A N 4.362 126.932 122.820 -0.416 0.000 2.524 131 A HA 0.695 5.015 4.320 -0.000 0.000 0.286 131 A C -0.236 176.955 177.584 -0.655 0.000 1.203 131 A CA -0.434 51.308 52.037 -0.491 0.000 0.736 131 A CB 0.938 19.790 19.000 -0.247 0.000 1.322 131 A HN 0.698 nan 8.150 nan 0.000 0.424 132 D N -1.826 118.349 120.400 -0.376 0.000 2.705 132 D HA -0.160 4.480 4.640 -0.000 0.000 0.240 132 D C -0.223 176.017 176.300 -0.100 0.000 1.137 132 D CA 1.054 54.953 54.000 -0.168 0.000 0.677 132 D CB -1.674 39.078 40.800 -0.079 0.000 1.049 132 D HN 0.424 nan 8.370 nan 0.000 0.427 133 F N -0.064 119.995 119.950 0.181 0.000 2.456 133 F HA 0.127 4.654 4.527 -0.000 0.000 0.298 133 F C 2.459 178.373 175.800 0.190 0.000 1.104 133 F CA 0.659 58.785 58.000 0.210 0.000 1.435 133 F CB -0.109 39.060 39.000 0.281 0.000 1.078 133 F HN 0.111 nan 8.300 nan 0.000 0.546 134 R N -0.150 120.564 120.500 0.358 0.000 2.161 134 R HA 0.051 4.390 4.340 -0.000 0.000 0.213 134 R C 2.145 178.577 176.300 0.221 0.000 1.055 134 R CA 0.411 56.687 56.100 0.293 0.000 0.996 134 R CB -0.224 30.258 30.300 0.303 0.000 0.901 134 R HN 0.222 nan 8.270 nan 0.000 0.456 135 R N 0.900 121.508 120.500 0.181 0.000 2.096 135 R HA -0.116 4.224 4.340 -0.000 0.000 0.235 135 R C 2.106 178.486 176.300 0.132 0.000 1.127 135 R CA 1.161 57.349 56.100 0.146 0.000 0.968 135 R CB -0.100 30.271 30.300 0.118 0.000 0.861 135 R HN -0.064 nan 8.270 nan 0.000 0.440 136 K N 1.499 121.982 120.400 0.138 0.000 2.032 136 K HA -0.201 4.119 4.320 -0.000 0.000 0.209 136 K C 1.474 178.145 176.600 0.118 0.000 1.048 136 K CA 2.137 58.497 56.287 0.121 0.000 0.927 136 K CB -0.470 32.109 32.500 0.132 0.000 0.712 136 K HN 0.061 nan 8.250 nan 0.000 0.441 137 D N -0.566 119.918 120.400 0.140 0.000 2.117 137 D HA -0.118 4.522 4.640 -0.000 0.000 0.197 137 D C 1.760 178.129 176.300 0.115 0.000 0.987 137 D CA 1.309 55.386 54.000 0.129 0.000 0.829 137 D CB 0.077 40.967 40.800 0.149 0.000 0.961 137 D HN 0.190 nan 8.370 nan 0.000 0.460 138 I N 1.013 121.656 120.570 0.123 0.000 2.208 138 I HA -0.231 3.939 4.170 -0.000 0.000 0.245 138 I C 2.480 178.648 176.117 0.085 0.000 1.097 138 I CA 1.246 62.607 61.300 0.101 0.000 1.363 138 I CB -1.386 36.679 38.000 0.109 0.000 1.051 138 I HN 0.093 nan 8.210 nan 0.000 0.413 139 A N 0.545 123.416 122.820 0.086 0.000 2.070 139 A HA -0.097 4.223 4.320 -0.000 0.000 0.220 139 A C 2.117 179.738 177.584 0.061 0.000 1.159 139 A CA 1.102 53.182 52.037 0.071 0.000 0.656 139 A CB -0.648 18.393 19.000 0.069 0.000 0.800 139 A HN 0.465 nan 8.150 nan 0.000 0.453 140 L N -1.387 119.875 121.223 0.065 0.000 2.653 140 L HA 0.304 4.644 4.340 -0.000 0.000 0.231 140 L C 1.456 178.359 176.870 0.055 0.000 1.153 140 L CA 0.506 55.380 54.840 0.056 0.000 0.933 140 L CB 0.141 42.236 42.059 0.059 0.000 1.175 140 L HN 0.514 nan 8.230 nan 0.000 0.473 141 G N -0.495 108.339 108.800 0.056 0.000 2.157 141 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.239 141 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.239 141 G C 0.502 175.435 174.900 0.056 0.000 0.982 141 G CA -0.199 44.930 45.100 0.049 0.000 0.650 141 G HN 0.506 nan 8.290 nan 0.000 0.527 142 G N -1.399 107.444 108.800 0.071 0.000 2.535 142 G HA2 0.513 4.473 3.960 -0.000 0.000 0.303 142 G HA3 0.513 4.473 3.960 -0.000 0.000 0.303 142 G C 0.739 175.695 174.900 0.092 0.000 1.237 142 G CA 0.110 45.262 45.100 0.086 0.000 0.986 142 G HN 0.108 nan 8.290 nan 0.000 0.494 143 Q N -0.558 119.313 119.800 0.119 0.000 2.432 143 Q HA 0.076 4.416 4.340 -0.000 0.000 0.205 143 Q C 1.946 178.074 176.000 0.213 0.000 0.945 143 Q CA 0.930 56.818 55.803 0.141 0.000 0.924 143 Q CB 0.480 29.326 28.738 0.180 0.000 1.016 143 Q HN 1.142 nan 8.270 nan 0.000 0.503 144 G N 0.534 109.461 108.800 0.212 0.000 2.184 144 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.264 144 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.264 144 G C 0.236 175.296 174.900 0.266 0.000 0.975 144 G CA 0.533 45.796 45.100 0.272 0.000 0.642 144 G HN 0.740 nan 8.290 nan 0.000 0.536 145 A N -0.859 122.098 122.820 0.229 0.000 2.597 145 A HA 0.792 5.112 4.320 -0.000 0.000 0.292 145 A C -3.073 174.613 177.584 0.170 0.000 1.057 145 A CA -0.412 51.726 52.037 0.168 0.000 0.674 145 A CB 1.436 20.496 19.000 0.100 0.000 1.278 145 A HN 0.329 nan 8.150 nan 0.000 0.416 146 P HA 0.419 nan 4.420 nan 0.000 0.277 146 P C 0.230 177.558 177.300 0.047 0.000 1.240 146 P CA -0.275 62.869 63.100 0.074 0.000 0.798 146 P CB 0.865 32.591 31.700 0.044 0.000 0.979 147 L N 1.867 123.093 121.223 0.005 0.000 2.513 147 L HA -0.018 4.322 4.340 -0.000 0.000 0.222 147 L C 2.291 179.063 176.870 -0.164 0.000 1.096 147 L CA 0.468 55.278 54.840 -0.050 0.000 0.857 147 L CB -0.388 41.625 42.059 -0.077 0.000 1.026 147 L HN 0.197 nan 8.230 nan 0.000 0.469 148 V N -2.738 117.033 119.914 -0.237 0.000 2.594 148 V HA -0.054 4.066 4.120 -0.000 0.000 0.253 148 V C -0.375 175.423 176.094 -0.494 0.000 1.069 148 V CA 0.724 62.763 62.300 -0.435 0.000 1.082 148 V CB -2.090 29.374 31.823 -0.598 0.000 0.680 148 V HN 0.243 nan 8.190 nan 0.000 0.469 149 P HA -0.194 nan 4.420 nan 0.000 0.217 149 P C 1.936 179.153 177.300 -0.138 0.000 1.151 149 P CA 2.694 65.716 63.100 -0.131 0.000 0.849 149 P CB -0.255 31.436 31.700 -0.015 0.000 0.787 150 A N -1.430 121.315 122.820 -0.124 0.000 1.930 150 A HA -0.188 4.132 4.320 -0.000 0.000 0.217 150 A C 2.082 179.441 177.584 -0.376 0.000 1.175 150 A CA 1.282 53.270 52.037 -0.082 0.000 0.627 150 A CB -1.754 17.337 19.000 0.153 0.000 0.815 150 A HN 0.177 nan 8.150 nan 0.000 0.443 151 F N 0.545 119.908 119.950 -0.979 0.000 2.134 151 F HA -0.166 4.361 4.527 -0.000 0.000 0.299 151 F C 2.195 177.518 175.800 -0.796 0.000 1.097 151 F CA 2.097 59.168 58.000 -1.547 0.000 1.264 151 F CB -0.709 37.357 39.000 -1.556 0.000 1.001 151 F HN 0.445 nan 8.300 nan 0.000 0.479 152 H N -1.301 117.349 119.070 -0.700 0.000 2.353 152 H HA -0.191 4.365 4.556 -0.000 0.000 0.300 152 H C 2.145 177.199 175.328 -0.456 0.000 1.090 152 H CA 1.014 56.717 56.048 -0.575 0.000 1.327 152 H CB -0.103 29.613 29.762 -0.077 0.000 1.383 152 H HN 0.288 nan 8.280 nan 0.000 0.508 153 Q N 1.368 121.050 119.800 -0.196 0.000 2.061 153 Q HA -0.212 4.128 4.340 -0.000 0.000 0.204 153 Q C 2.266 178.129 176.000 -0.228 0.000 0.984 153 Q CA 1.815 57.523 55.803 -0.158 0.000 0.846 153 Q CB -0.216 28.464 28.738 -0.097 0.000 0.902 153 Q HN 0.472 nan 8.270 nan 0.000 0.421 154 Q N -1.436 118.178 119.800 -0.310 0.000 2.170 154 Q HA -0.113 4.226 4.340 -0.000 0.000 0.203 154 Q C 1.076 176.847 176.000 -0.382 0.000 0.976 154 Q CA 1.810 57.455 55.803 -0.263 0.000 0.858 154 Q CB 0.147 28.792 28.738 -0.156 0.000 0.907 154 Q HN 0.516 nan 8.270 nan 0.000 0.433 155 T N -0.938 113.194 114.554 -0.703 0.000 3.042 155 T HA 0.079 4.429 4.350 -0.000 0.000 0.245 155 T C 0.677 175.009 174.700 -0.613 0.000 1.029 155 T CA 0.320 61.916 62.100 -0.840 0.000 1.120 155 T CB 0.087 67.993 68.868 -1.603 0.000 0.917 155 T HN 0.167 nan 8.240 nan 0.000 0.467 156 F N 1.464 121.189 119.950 -0.374 0.000 2.712 156 F HA 0.604 5.131 4.527 -0.000 0.000 0.297 156 F C 1.329 176.958 175.800 -0.286 0.000 1.114 156 F CA -1.637 56.141 58.000 -0.371 0.000 1.305 156 F CB -0.637 38.102 39.000 -0.435 0.000 1.086 156 F HN 0.001 nan 8.300 nan 0.000 0.599 157 A N 0.814 123.599 122.820 -0.060 0.000 2.445 157 A HA 0.383 4.703 4.320 -0.000 0.000 0.242 157 A C -0.056 177.490 177.584 -0.063 0.000 1.075 157 A CA 0.122 52.121 52.037 -0.063 0.000 0.777 157 A CB 0.160 19.112 19.000 -0.080 0.000 1.013 157 A HN 0.311 nan 8.150 nan 0.000 0.493 158 Q N 1.722 121.492 119.800 -0.050 0.000 2.275 158 Q HA 0.477 4.816 4.340 -0.000 0.000 0.266 158 Q C -1.339 174.641 176.000 -0.034 0.000 1.002 158 Q CA -0.477 55.302 55.803 -0.039 0.000 0.761 158 Q CB 1.605 30.326 28.738 -0.028 0.000 1.255 158 Q HN 0.591 nan 8.270 nan 0.000 0.446 159 V N 4.281 124.175 119.914 -0.033 0.000 2.584 159 V HA 0.284 4.404 4.120 -0.000 0.000 0.303 159 V C 1.508 177.589 176.094 -0.022 0.000 1.035 159 V CA 2.032 64.314 62.300 -0.029 0.000 1.172 159 V CB 0.339 32.148 31.823 -0.024 0.000 0.896 159 V HN 1.115 nan 8.190 nan 0.000 0.486 160 G N 3.976 112.764 108.800 -0.021 0.000 2.194 160 G HA2 -0.174 3.786 3.960 -0.000 0.000 0.236 160 G HA3 -0.174 3.786 3.960 -0.000 0.000 0.236 160 G C 0.112 175.003 174.900 -0.014 0.000 0.987 160 G CA -0.136 44.955 45.100 -0.015 0.000 0.635 160 G HN 0.545 nan 8.290 nan 0.000 0.520 161 K N 0.603 120.993 120.400 -0.016 0.000 2.324 161 K HA 0.474 4.794 4.320 -0.000 0.000 0.253 161 K C -0.316 176.277 176.600 -0.013 0.000 0.932 161 K CA -0.708 55.575 56.287 -0.006 0.000 0.799 161 K CB 1.938 34.448 32.500 0.016 0.000 1.154 161 K HN 0.206 nan 8.250 nan 0.000 0.425 162 K N 3.054 123.456 120.400 0.002 0.000 2.248 162 K HA 0.312 4.632 4.320 -0.000 0.000 0.281 162 K C -0.170 176.485 176.600 0.091 0.000 1.054 162 K CA -0.302 56.005 56.287 0.033 0.000 0.903 162 K CB 1.083 33.649 32.500 0.111 0.000 1.077 162 K HN 0.279 nan 8.250 nan 0.000 0.474 163 R N 1.875 122.430 120.500 0.091 0.000 2.561 163 R HA 0.422 4.762 4.340 -0.000 0.000 0.297 163 R C -1.012 175.410 176.300 0.204 0.000 0.969 163 R CA -0.908 55.305 56.100 0.188 0.000 0.879 163 R CB 1.984 32.397 30.300 0.188 0.000 1.178 163 R HN 0.237 nan 8.270 nan 0.000 0.445 164 V N 4.715 124.768 119.914 0.233 0.000 2.459 164 V HA 0.420 4.540 4.120 -0.000 0.000 0.295 164 V C -0.102 176.025 176.094 0.055 0.000 1.029 164 V CA -0.844 61.543 62.300 0.144 0.000 0.874 164 V CB 1.807 33.671 31.823 0.069 0.000 0.985 164 V HN 0.557 nan 8.190 nan 0.000 0.438 165 I N 5.776 126.341 120.570 -0.008 0.000 2.339 165 I HA 0.424 4.594 4.170 -0.000 0.000 0.290 165 I C -0.422 175.641 176.117 -0.090 0.000 0.994 165 I CA -0.676 60.550 61.300 -0.125 0.000 1.191 165 I CB 1.346 39.131 38.000 -0.358 0.000 1.343 165 I HN 0.444 nan 8.210 nan 0.000 0.458 166 L N 7.188 128.343 121.223 -0.114 0.000 2.298 166 L HA 0.495 4.835 4.340 -0.000 0.000 0.284 166 L C -0.509 176.316 176.870 -0.075 0.000 1.013 166 L CA -0.167 54.611 54.840 -0.103 0.000 0.824 166 L CB 1.110 43.084 42.059 -0.142 0.000 1.221 166 L HN 0.606 nan 8.230 nan 0.000 0.418 167 N N 5.226 123.911 118.700 -0.024 0.000 2.437 167 N HA 0.431 5.171 4.740 -0.000 0.000 0.259 167 N C -1.175 174.318 175.510 -0.028 0.000 0.983 167 N CA -0.291 52.758 53.050 -0.002 0.000 0.937 167 N CB 0.681 39.208 38.487 0.067 0.000 1.122 167 N HN 0.629 nan 8.380 nan 0.000 0.499 168 I N 3.209 123.752 120.570 -0.044 0.000 2.361 168 I HA 0.384 4.554 4.170 -0.000 0.000 0.282 168 I C 1.158 177.259 176.117 -0.026 0.000 1.075 168 I CA -0.601 60.675 61.300 -0.041 0.000 1.205 168 I CB 0.819 38.788 38.000 -0.052 0.000 1.406 168 I HN 0.575 nan 8.210 nan 0.000 0.481 169 G N 3.009 111.796 108.800 -0.021 0.000 2.773 169 G HA2 0.382 4.342 3.960 -0.000 0.000 0.186 169 G HA3 0.382 4.342 3.960 -0.000 0.000 0.186 169 G C 1.079 175.971 174.900 -0.013 0.000 1.411 169 G CA 0.129 45.217 45.100 -0.021 0.000 1.054 169 G HN 0.539 nan 8.290 nan 0.000 0.579 170 G N -0.657 108.138 108.800 -0.009 0.000 2.476 170 G HA2 -0.061 3.899 3.960 -0.000 0.000 0.218 170 G HA3 -0.061 3.899 3.960 -0.000 0.000 0.218 170 G C 0.703 175.600 174.900 -0.005 0.000 1.164 170 G CA 0.711 45.814 45.100 0.006 0.000 0.768 170 G HN 0.287 nan 8.290 nan 0.000 0.560 171 I N 0.944 121.505 120.570 -0.015 0.000 2.437 171 I HA 0.578 4.748 4.170 -0.000 0.000 0.298 171 I C 0.376 176.477 176.117 -0.027 0.000 0.984 171 I CA -1.406 59.876 61.300 -0.030 0.000 1.214 171 I CB 1.281 39.272 38.000 -0.016 0.000 1.365 171 I HN 0.126 nan 8.210 nan 0.000 0.469 172 A N 6.903 129.703 122.820 -0.033 0.000 2.306 172 A HA 0.654 4.974 4.320 -0.000 0.000 0.314 172 A C -0.251 177.321 177.584 -0.021 0.000 1.164 172 A CA -0.623 51.395 52.037 -0.032 0.000 0.822 172 A CB 0.515 19.488 19.000 -0.046 0.000 1.130 172 A HN 0.849 nan 8.150 nan 0.000 0.496 173 N N 1.689 120.365 118.700 -0.039 0.000 2.260 173 N HA 0.528 5.268 4.740 -0.000 0.000 0.293 173 N C -1.019 174.419 175.510 -0.120 0.000 1.058 173 N CA -0.482 52.528 53.050 -0.067 0.000 0.824 173 N CB 1.964 40.446 38.487 -0.009 0.000 1.551 173 N HN 0.726 nan 8.380 nan 0.000 0.475 174 I N -1.571 118.837 120.570 -0.271 0.000 2.525 174 I HA 0.585 4.755 4.170 -0.000 0.000 0.301 174 I C -0.849 175.156 176.117 -0.186 0.000 0.992 174 I CA -0.551 60.595 61.300 -0.256 0.000 1.162 174 I CB 2.099 39.880 38.000 -0.365 0.000 1.332 174 I HN 0.276 nan 8.210 nan 0.000 0.458 175 T N 4.491 119.034 114.554 -0.019 0.000 2.779 175 T HA 0.317 4.667 4.350 -0.000 0.000 0.280 175 T C -1.059 173.707 174.700 0.111 0.000 0.987 175 T CA -0.150 61.997 62.100 0.079 0.000 0.966 175 T CB 0.678 69.707 68.868 0.269 0.000 0.933 175 T HN 0.489 nan 8.240 nan 0.000 0.442 176 Y N 4.277 124.558 120.300 -0.032 0.000 2.335 176 Y HA 0.542 5.092 4.550 -0.000 0.000 0.339 176 Y C -0.972 174.941 175.900 0.022 0.000 0.987 176 Y CA -1.622 56.474 58.100 -0.006 0.000 1.140 176 Y CB 0.424 38.873 38.460 -0.017 0.000 1.173 176 Y HN 0.520 nan 8.280 nan 0.000 0.486 177 L N 10.069 131.072 121.223 -0.366 0.000 2.335 177 L HA 0.344 4.683 4.340 -0.000 0.000 0.268 177 L C -1.678 174.867 176.870 -0.541 0.000 1.037 177 L CA -1.633 52.998 54.840 -0.348 0.000 0.895 177 L CB 1.375 43.360 42.059 -0.123 0.000 1.266 177 L HN 0.530 nan 8.230 nan 0.000 0.439 178 P HA -0.098 nan 4.420 nan 0.000 0.223 178 P C 1.112 178.282 177.300 -0.216 0.000 1.151 178 P CA 1.182 63.942 63.100 -0.567 0.000 0.787 178 P CB 0.470 31.947 31.700 -0.372 0.000 0.788 179 G N 0.775 109.478 108.800 -0.162 0.000 2.153 179 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.252 179 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.252 179 G C 0.128 174.995 174.900 -0.055 0.000 0.994 179 G CA 0.567 45.616 45.100 -0.085 0.000 0.698 179 G HN 0.647 nan 8.290 nan 0.000 0.521 180 N N -2.757 115.910 118.700 -0.055 0.000 3.621 180 N HA 0.508 5.248 4.740 -0.000 0.000 0.345 180 N C 0.937 176.435 175.510 -0.019 0.000 1.646 180 N CA 0.261 53.296 53.050 -0.026 0.000 0.731 180 N CB -0.238 38.244 38.487 -0.009 0.000 2.435 180 N HN -0.025 nan 8.380 nan 0.000 0.613 181 S N -0.938 114.761 115.700 -0.003 0.000 2.527 181 S HA 0.106 4.576 4.470 -0.000 0.000 0.222 181 S C -0.084 174.524 174.600 0.014 0.000 0.985 181 S CA 0.056 58.259 58.200 0.004 0.000 0.921 181 S CB -0.479 62.727 63.200 0.010 0.000 0.772 181 S HN 0.441 nan 8.310 nan 0.000 0.529 182 E N 2.368 122.580 120.200 0.021 0.000 2.418 182 E HA 0.046 4.395 4.350 -0.000 0.000 0.261 182 E C 0.266 176.884 176.600 0.031 0.000 1.070 182 E CA -0.043 56.384 56.400 0.045 0.000 0.931 182 E CB 0.369 30.118 29.700 0.082 0.000 0.954 182 E HN 0.483 nan 8.360 nan 0.000 0.439 183 E N 0.879 121.115 120.200 0.060 0.000 2.366 183 E HA 0.143 4.493 4.350 -0.000 0.000 0.266 183 E C -0.460 176.169 176.600 0.048 0.000 1.051 183 E CA -0.628 55.804 56.400 0.053 0.000 0.884 183 E CB 0.757 30.501 29.700 0.074 0.000 1.006 183 E HN 0.083 nan 8.360 nan 0.000 0.417 184 V N 3.633 123.557 119.914 0.018 0.000 2.599 184 V HA 0.003 4.123 4.120 -0.000 0.000 0.300 184 V C 0.493 176.634 176.094 0.077 0.000 1.034 184 V CA 0.491 62.799 62.300 0.013 0.000 1.115 184 V CB -0.284 31.540 31.823 0.001 0.000 0.934 184 V HN 0.517 nan 8.190 nan 0.000 0.485 185 L N 3.827 125.120 121.223 0.117 0.000 2.303 185 L HA 1.001 5.341 4.340 -0.000 0.000 0.266 185 L C 0.319 177.254 176.870 0.109 0.000 1.011 185 L CA -0.487 54.417 54.840 0.105 0.000 0.818 185 L CB 2.289 44.361 42.059 0.022 0.000 1.326 185 L HN 0.796 nan 8.230 nan 0.000 0.435 186 G N 1.209 110.105 108.800 0.160 0.000 2.655 186 G HA2 0.634 4.594 3.960 -0.000 0.000 0.296 186 G HA3 0.634 4.594 3.960 -0.000 0.000 0.296 186 G C -1.701 173.372 174.900 0.288 0.000 1.485 186 G CA -0.438 44.722 45.100 0.100 0.000 0.869 186 G HN 0.568 nan 8.290 nan 0.000 0.540 187 F N -1.167 118.816 119.950 0.055 0.000 2.770 187 F HA 0.593 5.120 4.527 -0.000 0.000 0.313 187 F C -1.495 174.379 175.800 0.123 0.000 1.154 187 F CA -1.497 56.567 58.000 0.107 0.000 0.923 187 F CB 0.844 39.926 39.000 0.137 0.000 1.301 187 F HN 0.313 nan 8.300 nan 0.000 0.449 188 D N 1.440 122.056 120.400 0.358 0.000 2.348 188 D HA 0.218 4.858 4.640 -0.000 0.000 0.253 188 D C 1.209 177.792 176.300 0.470 0.000 1.161 188 D CA 0.438 54.612 54.000 0.291 0.000 0.876 188 D CB 1.867 42.839 40.800 0.287 0.000 1.160 188 D HN 0.802 nan 8.370 nan 0.000 0.459 189 T N -0.096 114.622 114.554 0.274 0.000 2.985 189 T HA 0.289 4.639 4.350 -0.000 0.000 0.266 189 T C 1.079 176.068 174.700 0.483 0.000 1.076 189 T CA 0.589 62.912 62.100 0.372 0.000 1.135 189 T CB 0.245 69.203 68.868 0.149 0.000 0.890 189 T HN 0.597 nan 8.240 nan 0.000 0.480 190 G N 1.590 110.532 108.800 0.236 0.000 2.260 190 G HA2 0.253 4.213 3.960 -0.000 0.000 0.250 190 G HA3 0.253 4.213 3.960 -0.000 0.000 0.250 190 G C -3.124 171.575 174.900 -0.335 0.000 1.340 190 G CA -0.587 44.419 45.100 -0.156 0.000 1.056 190 G HN 0.293 nan 8.290 nan 0.000 0.471 191 P HA 0.354 nan 4.420 nan 0.000 0.271 191 P C 0.590 177.801 177.300 -0.147 0.000 1.216 191 P CA 1.033 63.919 63.100 -0.357 0.000 0.776 191 P CB 1.437 32.908 31.700 -0.381 0.000 0.881 192 G N 2.444 111.198 108.800 -0.077 0.000 2.529 192 G HA2 -0.003 3.957 3.960 -0.000 0.000 0.220 192 G HA3 -0.003 3.957 3.960 -0.000 0.000 0.220 192 G C 0.869 175.764 174.900 -0.007 0.000 1.976 192 G CA 0.016 45.092 45.100 -0.040 0.000 0.789 192 G HN 0.414 nan 8.290 nan 0.000 0.695 193 N N 0.105 118.814 118.700 0.015 0.000 2.254 193 N HA 0.034 4.774 4.740 -0.000 0.000 0.190 193 N C 1.926 177.483 175.510 0.077 0.000 1.107 193 N CA 0.595 53.676 53.050 0.053 0.000 0.869 193 N CB 0.481 38.999 38.487 0.053 0.000 0.983 193 N HN 0.301 nan 8.380 nan 0.000 0.487 194 T N 1.207 115.799 114.554 0.063 0.000 2.720 194 T HA 0.004 4.354 4.350 -0.000 0.000 0.268 194 T C 1.809 176.593 174.700 0.140 0.000 1.037 194 T CA 1.047 63.203 62.100 0.093 0.000 1.144 194 T CB 0.025 68.945 68.868 0.086 0.000 0.864 194 T HN 0.106 nan 8.240 nan 0.000 0.444 195 L N 1.041 122.351 121.223 0.146 0.000 2.127 195 L HA 0.168 4.508 4.340 -0.000 0.000 0.203 195 L C 2.586 179.582 176.870 0.210 0.000 1.080 195 L CA 0.950 55.905 54.840 0.191 0.000 0.768 195 L CB -0.569 41.607 42.059 0.196 0.000 0.924 195 L HN 0.396 nan 8.230 nan 0.000 0.444 196 I N -2.325 118.350 120.570 0.174 0.000 2.361 196 I HA -0.198 3.972 4.170 -0.000 0.000 0.251 196 I C 1.713 177.992 176.117 0.269 0.000 1.133 196 I CA 1.372 62.803 61.300 0.219 0.000 1.413 196 I CB -0.547 37.548 38.000 0.159 0.000 1.073 196 I HN 0.142 nan 8.210 nan 0.000 0.424 197 D N 2.178 122.709 120.400 0.218 0.000 2.097 197 D HA -0.091 4.548 4.640 -0.000 0.000 0.197 197 D C 2.472 178.899 176.300 0.211 0.000 0.984 197 D CA 1.984 56.109 54.000 0.208 0.000 0.826 197 D CB -0.201 40.695 40.800 0.160 0.000 0.973 197 D HN 0.482 nan 8.370 nan 0.000 0.460 198 A N 0.609 123.562 122.820 0.222 0.000 1.908 198 A HA -0.199 4.121 4.320 -0.000 0.000 0.218 198 A C 2.194 179.966 177.584 0.313 0.000 1.181 198 A CA 1.357 53.535 52.037 0.235 0.000 0.627 198 A CB -1.196 17.948 19.000 0.240 0.000 0.818 198 A HN 0.484 nan 8.150 nan 0.000 0.445 199 W N -0.219 121.172 121.300 0.151 0.000 2.407 199 W HA -0.109 4.551 4.660 0.000 0.000 0.305 199 W C 2.089 178.770 176.519 0.270 0.000 1.196 199 W CA 1.650 59.110 57.345 0.191 0.000 1.311 199 W CB -0.122 29.441 29.460 0.171 0.000 1.135 199 W HN 0.234 nan 8.180 nan 0.000 0.514 200 V N 1.392 121.500 119.914 0.324 0.000 2.515 200 V HA -0.299 3.821 4.120 -0.000 0.000 0.250 200 V C 2.171 178.206 176.094 -0.099 0.000 1.058 200 V CA 2.255 64.613 62.300 0.096 0.000 1.064 200 V CB -0.283 31.649 31.823 0.182 0.000 0.675 200 V HN 0.238 nan 8.190 nan 0.000 0.461 201 Q N -0.888 118.912 119.800 0.001 0.000 2.119 201 Q HA -0.267 4.073 4.340 -0.000 0.000 0.201 201 Q C 2.284 178.239 176.000 -0.076 0.000 0.972 201 Q CA 1.947 57.734 55.803 -0.025 0.000 0.847 201 Q CB -0.183 28.578 28.738 0.039 0.000 0.903 201 Q HN 0.592 nan 8.270 nan 0.000 0.433 202 Q N 0.153 119.903 119.800 -0.084 0.000 2.046 202 Q HA -0.111 4.229 4.340 -0.000 0.000 0.200 202 Q C 1.847 177.682 176.000 -0.275 0.000 0.975 202 Q CA 1.539 57.256 55.803 -0.143 0.000 0.836 202 Q CB 0.018 28.692 28.738 -0.108 0.000 0.896 202 Q HN 0.221 nan 8.270 nan 0.000 0.428 203 V N 0.128 119.785 119.914 -0.428 0.000 2.374 203 V HA -0.052 4.068 4.120 -0.000 0.000 0.241 203 V C 1.769 177.640 176.094 -0.372 0.000 1.034 203 V CA 1.610 63.635 62.300 -0.457 0.000 1.037 203 V CB -0.228 31.255 31.823 -0.568 0.000 0.682 203 V HN 0.188 nan 8.190 nan 0.000 0.463 204 K N -0.336 119.808 120.400 -0.426 0.000 2.352 204 K HA 0.204 4.524 4.320 -0.000 0.000 0.194 204 K C 0.342 176.794 176.600 -0.245 0.000 1.038 204 K CA 0.233 56.287 56.287 -0.389 0.000 1.023 204 K CB -0.220 31.951 32.500 -0.548 0.000 0.840 204 K HN 0.572 nan 8.250 nan 0.000 0.519 205 N N 1.694 120.278 118.700 -0.193 0.000 2.747 205 N HA -0.174 4.565 4.740 -0.000 0.000 0.249 205 N C -1.063 174.385 175.510 -0.103 0.000 1.107 205 N CA 0.540 53.518 53.050 -0.120 0.000 0.707 205 N CB -0.894 37.534 38.487 -0.100 0.000 1.054 205 N HN 0.323 nan 8.380 nan 0.000 0.555 206 E N -0.943 119.185 120.200 -0.119 0.000 2.244 206 E HA 0.396 4.746 4.350 -0.000 0.000 0.266 206 E C 0.659 177.252 176.600 -0.012 0.000 0.914 206 E CA -0.353 55.998 56.400 -0.082 0.000 0.794 206 E CB 1.019 30.631 29.700 -0.146 0.000 1.210 206 E HN 0.233 nan 8.360 nan 0.000 0.414 207 S N 1.197 116.936 115.700 0.065 0.000 2.406 207 S HA -0.082 4.388 4.470 -0.000 0.000 0.228 207 S C 0.354 175.109 174.600 0.257 0.000 1.020 207 S CA 0.691 58.976 58.200 0.143 0.000 0.965 207 S CB -0.422 62.868 63.200 0.150 0.000 0.798 207 S HN 0.602 nan 8.310 nan 0.000 0.488 208 Y N -0.744 119.560 120.300 0.007 0.000 2.656 208 Y HA 0.655 5.204 4.550 -0.000 0.000 0.334 208 Y C -1.882 174.046 175.900 0.047 0.000 1.179 208 Y CA -1.542 56.582 58.100 0.040 0.000 1.050 208 Y CB 0.664 39.145 38.460 0.035 0.000 1.308 208 Y HN -0.097 nan 8.280 nan 0.000 0.456 209 D N 2.628 123.006 120.400 -0.037 0.000 2.411 209 D HA 0.130 4.770 4.640 -0.000 0.000 0.225 209 D C -0.693 175.496 176.300 -0.185 0.000 1.156 209 D CA -0.323 53.634 54.000 -0.072 0.000 0.874 209 D CB 0.761 41.686 40.800 0.208 0.000 1.034 209 D HN 0.469 nan 8.370 nan 0.000 0.502 210 K N 3.602 123.729 120.400 -0.454 0.000 2.430 210 K HA -0.051 4.269 4.320 -0.000 0.000 0.280 210 K C 0.500 177.075 176.600 -0.042 0.000 1.063 210 K CA 0.428 56.514 56.287 -0.334 0.000 1.071 210 K CB -0.294 32.005 32.500 -0.335 0.000 0.899 210 K HN 0.770 nan 8.250 nan 0.000 0.473 211 N N 2.300 121.045 118.700 0.076 0.000 2.828 211 N HA -0.236 4.504 4.740 -0.000 0.000 0.248 211 N C 0.359 175.912 175.510 0.073 0.000 1.044 211 N CA 0.691 53.794 53.050 0.088 0.000 0.851 211 N CB -0.593 37.932 38.487 0.062 0.000 1.136 211 N HN 0.943 nan 8.380 nan 0.000 0.572 212 G N -0.984 107.865 108.800 0.082 0.000 2.179 212 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.257 212 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.257 212 G C 0.931 175.880 174.900 0.082 0.000 1.010 212 G CA 1.126 46.276 45.100 0.083 0.000 0.736 212 G HN 0.857 nan 8.290 nan 0.000 0.513 213 A N -0.861 122.012 122.820 0.088 0.000 1.898 213 A HA 0.108 4.428 4.320 -0.000 0.000 0.216 213 A C 2.015 179.700 177.584 0.168 0.000 1.181 213 A CA 2.042 54.135 52.037 0.093 0.000 0.620 213 A CB -0.548 18.489 19.000 0.062 0.000 0.819 213 A HN 1.094 nan 8.150 nan 0.000 0.442 214 W N 0.740 122.030 121.300 -0.016 0.000 2.379 214 W HA -0.074 4.586 4.660 0.000 0.000 0.307 214 W C 2.522 179.056 176.519 0.024 0.000 1.200 214 W CA 1.521 58.866 57.345 -0.000 0.000 1.297 214 W CB -0.606 28.851 29.460 -0.006 0.000 1.140 214 W HN 0.366 nan 8.180 nan 0.000 0.507 215 A N 0.630 123.456 122.820 0.009 0.000 1.908 215 A HA -0.104 4.216 4.320 -0.000 0.000 0.218 215 A C 2.160 179.691 177.584 -0.089 0.000 1.181 215 A CA 2.939 54.902 52.037 -0.123 0.000 0.627 215 A CB -1.505 17.469 19.000 -0.043 0.000 0.818 215 A HN 0.371 nan 8.150 nan 0.000 0.445 216 A N 0.242 123.053 122.820 -0.015 0.000 1.972 216 A HA -0.089 4.231 4.320 -0.000 0.000 0.219 216 A C 2.409 179.985 177.584 -0.013 0.000 1.169 216 A CA 2.233 54.265 52.037 -0.008 0.000 0.635 216 A CB -0.922 18.087 19.000 0.017 0.000 0.810 216 A HN 1.097 nan 8.150 nan 0.000 0.446 217 S N -0.842 114.859 115.700 0.002 0.000 2.515 217 S HA 0.284 4.754 4.470 -0.000 0.000 0.231 217 S C 1.054 175.635 174.600 -0.032 0.000 0.987 217 S CA 0.429 58.639 58.200 0.015 0.000 0.936 217 S CB -0.554 62.702 63.200 0.093 0.000 0.766 217 S HN 0.715 nan 8.310 nan 0.000 0.528 218 G N 0.296 109.036 108.800 -0.100 0.000 2.521 218 G HA2 0.545 4.505 3.960 -0.000 0.000 0.323 218 G HA3 0.545 4.505 3.960 -0.000 0.000 0.323 218 G C -1.210 173.634 174.900 -0.092 0.000 1.211 218 G CA -0.913 44.111 45.100 -0.126 0.000 0.979 218 G HN 0.254 nan 8.290 nan 0.000 0.490 219 K N 0.274 120.621 120.400 -0.089 0.000 2.413 219 K HA 0.344 4.664 4.320 -0.000 0.000 0.257 219 K C -0.399 176.143 176.600 -0.097 0.000 0.946 219 K CA -0.368 55.874 56.287 -0.074 0.000 0.823 219 K CB 1.378 33.849 32.500 -0.048 0.000 1.109 219 K HN 0.454 nan 8.250 nan 0.000 0.427 220 T N 2.589 117.082 114.554 -0.102 0.000 2.928 220 T HA -0.064 4.286 4.350 -0.000 0.000 0.305 220 T C -0.143 174.485 174.700 -0.119 0.000 1.035 220 T CA 0.318 62.340 62.100 -0.130 0.000 1.145 220 T CB 0.309 69.099 68.868 -0.131 0.000 0.963 220 T HN 0.428 nan 8.240 nan 0.000 0.545 221 D N 4.160 124.470 120.400 -0.151 0.000 2.347 221 D HA 0.180 4.820 4.640 -0.000 0.000 0.235 221 D C -1.587 174.630 176.300 -0.138 0.000 1.149 221 D CA -2.389 51.536 54.000 -0.126 0.000 0.850 221 D CB 1.693 42.402 40.800 -0.153 0.000 1.061 221 D HN 0.139 nan 8.370 nan 0.000 0.487 222 P HA -0.146 nan 4.420 nan 0.000 0.220 222 P C 1.142 178.403 177.300 -0.065 0.000 1.148 222 P CA 0.939 63.985 63.100 -0.089 0.000 0.803 222 P CB 0.467 32.135 31.700 -0.054 0.000 0.782 223 Q N -0.200 119.593 119.800 -0.013 0.000 2.020 223 Q HA -0.115 4.225 4.340 -0.000 0.000 0.198 223 Q C 2.018 178.030 176.000 0.020 0.000 0.974 223 Q CA 1.156 57.000 55.803 0.068 0.000 0.829 223 Q CB -1.385 27.468 28.738 0.192 0.000 0.894 223 Q HN 0.031 nan 8.270 nan 0.000 0.433 224 L N 0.105 121.203 121.223 -0.209 0.000 2.013 224 L HA -0.149 4.191 4.340 -0.000 0.000 0.212 224 L C 2.133 178.825 176.870 -0.298 0.000 1.073 224 L CA 1.847 56.343 54.840 -0.573 0.000 0.753 224 L CB -1.156 40.321 42.059 -0.970 0.000 0.890 224 L HN 0.487 nan 8.230 nan 0.000 0.432 225 L N -0.147 120.933 121.223 -0.239 0.000 1.989 225 L HA -0.153 4.187 4.340 -0.000 0.000 0.211 225 L C 2.539 179.328 176.870 -0.134 0.000 1.071 225 L CA 2.273 56.989 54.840 -0.206 0.000 0.749 225 L CB -1.249 40.657 42.059 -0.255 0.000 0.890 225 L HN 0.308 nan 8.230 nan 0.000 0.431 226 A N -1.182 121.583 122.820 -0.092 0.000 1.908 226 A HA -0.312 4.008 4.320 -0.000 0.000 0.218 226 A C 2.335 179.938 177.584 0.032 0.000 1.181 226 A CA 2.006 54.025 52.037 -0.030 0.000 0.627 226 A CB -0.777 18.218 19.000 -0.008 0.000 0.818 226 A HN 0.696 nan 8.150 nan 0.000 0.445 227 Q N -0.406 119.419 119.800 0.043 0.000 2.050 227 Q HA -0.138 4.202 4.340 -0.000 0.000 0.202 227 Q C 2.054 178.153 176.000 0.166 0.000 0.980 227 Q CA 1.575 57.439 55.803 0.103 0.000 0.840 227 Q CB -0.233 28.579 28.738 0.123 0.000 0.898 227 Q HN 0.695 nan 8.270 nan 0.000 0.424 228 L N 0.234 121.532 121.223 0.126 0.000 2.046 228 L HA -0.201 4.139 4.340 -0.000 0.000 0.208 228 L C 2.262 179.413 176.870 0.468 0.000 1.077 228 L CA 0.483 55.514 54.840 0.319 0.000 0.747 228 L CB -0.357 41.812 42.059 0.184 0.000 0.896 228 L HN 0.278 nan 8.230 nan 0.000 0.432 229 L N -0.211 121.119 121.223 0.178 0.000 2.478 229 L HA -0.052 4.288 4.340 -0.000 0.000 0.223 229 L C 2.504 179.534 176.870 0.266 0.000 1.140 229 L CA 1.431 56.274 54.840 0.005 0.000 0.842 229 L CB -0.670 41.298 42.059 -0.150 0.000 0.953 229 L HN 0.310 nan 8.230 nan 0.000 0.452 230 S N -2.887 113.003 115.700 0.316 0.000 2.593 230 S HA -0.067 4.403 4.470 -0.000 0.000 0.217 230 S C 0.948 175.778 174.600 0.383 0.000 0.966 230 S CA -0.355 58.020 58.200 0.293 0.000 0.914 230 S CB -0.906 62.404 63.200 0.182 0.000 0.776 230 S HN 0.543 nan 8.310 nan 0.000 0.523 231 H N 3.390 122.764 119.070 0.506 0.000 3.094 231 H HA 0.127 4.683 4.556 -0.000 0.000 0.320 231 H C -1.642 173.833 175.328 0.246 0.000 1.000 231 H CA -0.677 55.601 56.048 0.384 0.000 1.413 231 H CB 0.702 30.685 29.762 0.368 0.000 1.405 231 H HN 0.055 nan 8.280 nan 0.000 0.586 232 P HA -0.240 nan 4.420 nan 0.000 0.217 232 P C 0.964 178.346 177.300 0.137 0.000 1.148 232 P CA 1.296 64.419 63.100 0.039 0.000 0.828 232 P CB -0.128 31.515 31.700 -0.094 0.000 0.783 233 Y N -0.307 120.118 120.300 0.209 0.000 2.151 233 Y HA -0.252 4.298 4.550 -0.000 0.000 0.284 233 Y C 1.883 177.740 175.900 -0.070 0.000 1.166 233 Y CA 1.622 59.705 58.100 -0.029 0.000 1.163 233 Y CB -0.999 37.305 38.460 -0.260 0.000 0.974 233 Y HN -0.160 nan 8.280 nan 0.000 0.511 234 F N -0.914 119.205 119.950 0.282 0.000 2.333 234 F HA -0.145 4.382 4.527 -0.000 0.000 0.300 234 F C 2.402 178.210 175.800 0.014 0.000 1.083 234 F CA 1.454 59.541 58.000 0.146 0.000 1.395 234 F CB -0.765 38.360 39.000 0.209 0.000 1.056 234 F HN -0.063 nan 8.300 nan 0.000 0.529 235 S N -0.393 115.383 115.700 0.126 0.000 2.548 235 S HA 0.210 4.680 4.470 -0.000 0.000 0.215 235 S C 0.769 175.323 174.600 -0.076 0.000 0.976 235 S CA -0.187 58.035 58.200 0.037 0.000 0.908 235 S CB -0.147 63.085 63.200 0.054 0.000 0.781 235 S HN 0.058 nan 8.310 nan 0.000 0.519 236 L N 2.219 123.339 121.223 -0.171 0.000 2.456 236 L HA 0.306 4.646 4.340 -0.000 0.000 0.272 236 L C 0.708 177.412 176.870 -0.276 0.000 1.189 236 L CA -0.702 53.995 54.840 -0.238 0.000 0.846 236 L CB 0.244 42.096 42.059 -0.345 0.000 1.111 236 L HN 0.156 nan 8.230 nan 0.000 0.475 237 A N 3.101 125.754 122.820 -0.278 0.000 2.386 237 A HA 0.321 4.641 4.320 -0.000 0.000 0.248 237 A C -0.559 176.773 177.584 -0.420 0.000 1.082 237 A CA -0.379 51.415 52.037 -0.404 0.000 0.789 237 A CB 0.122 18.890 19.000 -0.386 0.000 1.025 237 A HN 0.569 nan 8.150 nan 0.000 0.490 238 Y N 0.454 120.471 120.300 -0.472 0.000 2.326 238 Y HA 0.571 5.121 4.550 -0.000 0.000 0.333 238 Y C -2.343 173.436 175.900 -0.201 0.000 1.240 238 Y CA -3.137 54.680 58.100 -0.471 0.000 1.365 238 Y CB -1.040 36.844 38.460 -0.959 0.000 1.289 238 Y HN 0.427 nan 8.280 nan 0.000 0.548 239 P HA 0.209 nan 4.420 nan 0.000 0.268 239 P C -1.368 175.992 177.300 0.100 0.000 1.205 239 P CA -0.323 62.882 63.100 0.175 0.000 0.771 239 P CB 0.453 32.249 31.700 0.160 0.000 0.858 240 K N 0.061 120.571 120.400 0.183 0.000 2.557 240 K HA 0.684 5.003 4.320 -0.000 0.000 0.257 240 K C -1.332 175.469 176.600 0.334 0.000 0.933 240 K CA -0.764 55.635 56.287 0.185 0.000 0.820 240 K CB 1.573 34.085 32.500 0.020 0.000 1.330 240 K HN 0.408 nan 8.250 nan 0.000 0.432 241 S N 0.590 116.491 115.700 0.336 0.000 2.661 241 S HA 0.735 5.204 4.470 -0.000 0.000 0.285 241 S C -1.060 173.732 174.600 0.320 0.000 1.138 241 S CA -0.576 57.843 58.200 0.365 0.000 0.855 241 S CB 2.275 65.688 63.200 0.355 0.000 1.136 241 S HN 0.797 nan 8.310 nan 0.000 0.484 242 T N -0.623 114.060 114.554 0.216 0.000 2.889 242 T HA 0.696 5.046 4.350 -0.000 0.000 0.315 242 T C 0.426 175.194 174.700 0.113 0.000 1.291 242 T CA 0.090 62.234 62.100 0.074 0.000 1.028 242 T CB 1.077 69.773 68.868 -0.287 0.000 1.235 242 T HN 1.093 nan 8.240 nan 0.000 0.491 243 G N 1.395 110.256 108.800 0.101 0.000 2.968 243 G HA2 0.329 4.289 3.960 -0.000 0.000 0.206 243 G HA3 0.329 4.289 3.960 -0.000 0.000 0.206 243 G C 0.532 175.440 174.900 0.014 0.000 2.051 243 G CA -0.242 44.902 45.100 0.074 0.000 0.773 243 G HN 0.649 nan 8.290 nan 0.000 0.741 244 R N 0.580 121.085 120.500 0.009 0.000 2.476 244 R HA 0.138 4.478 4.340 -0.000 0.000 0.276 244 R C 1.849 178.122 176.300 -0.045 0.000 0.941 244 R CA 0.158 56.260 56.100 0.002 0.000 1.088 244 R CB 0.661 30.983 30.300 0.036 0.000 1.216 244 R HN 0.548 nan 8.270 nan 0.000 0.533 245 E N 0.725 120.871 120.200 -0.090 0.000 2.285 245 E HA -0.113 4.237 4.350 -0.000 0.000 0.194 245 E C 1.004 177.465 176.600 -0.231 0.000 0.997 245 E CA 1.036 57.366 56.400 -0.117 0.000 0.845 245 E CB 0.294 29.930 29.700 -0.105 0.000 0.782 245 E HN 0.144 nan 8.360 nan 0.000 0.491 246 L N -0.469 120.497 121.223 -0.429 0.000 2.453 246 L HA 0.261 4.601 4.340 -0.000 0.000 0.190 246 L C 0.495 176.700 176.870 -1.109 0.000 1.093 246 L CA 0.725 55.038 54.840 -0.879 0.000 0.834 246 L CB -0.543 40.718 42.059 -1.331 0.000 1.090 246 L HN -0.055 nan 8.230 nan 0.000 0.489 247 F N 1.688 121.334 119.950 -0.507 0.000 2.351 247 F HA 0.372 4.898 4.527 -0.000 0.000 0.362 247 F C 0.207 175.982 175.800 -0.040 0.000 1.131 247 F CA -0.898 56.881 58.000 -0.368 0.000 1.187 247 F CB -0.539 38.238 39.000 -0.372 0.000 1.434 247 F HN 0.213 nan 8.300 nan 0.000 0.553 248 N N -0.439 118.405 118.700 0.240 0.000 2.647 248 N HA 0.274 5.014 4.740 -0.000 0.000 0.266 248 N C 0.434 176.119 175.510 0.291 0.000 1.373 248 N CA -1.003 52.181 53.050 0.224 0.000 0.807 248 N CB 0.820 39.385 38.487 0.130 0.000 1.513 248 N HN 0.197 nan 8.380 nan 0.000 0.505 249 Q N 0.049 119.980 119.800 0.217 0.000 2.112 249 Q HA -0.170 4.170 4.340 -0.000 0.000 0.206 249 Q C 1.656 177.767 176.000 0.186 0.000 0.987 249 Q CA 2.796 58.721 55.803 0.203 0.000 0.858 249 Q CB -0.546 28.293 28.738 0.168 0.000 0.905 249 Q HN 0.768 nan 8.270 nan 0.000 0.420 250 A N -0.636 122.290 122.820 0.177 0.000 1.898 250 A HA -0.177 4.143 4.320 -0.000 0.000 0.216 250 A C 1.804 179.497 177.584 0.182 0.000 1.181 250 A CA 1.303 53.431 52.037 0.153 0.000 0.620 250 A CB -1.244 17.835 19.000 0.131 0.000 0.819 250 A HN 0.776 nan 8.150 nan 0.000 0.442 251 W N 0.403 121.731 121.300 0.047 0.000 2.379 251 W HA -0.133 4.527 4.660 -0.000 0.000 0.307 251 W C 1.684 178.244 176.519 0.069 0.000 1.200 251 W CA 1.662 59.036 57.345 0.048 0.000 1.297 251 W CB -0.409 29.061 29.460 0.016 0.000 1.140 251 W HN 0.283 nan 8.180 nan 0.000 0.507 252 L N 1.492 122.748 121.223 0.056 0.000 2.042 252 L HA -0.214 4.125 4.340 -0.000 0.000 0.210 252 L C 2.350 179.102 176.870 -0.198 0.000 1.076 252 L CA 2.778 57.511 54.840 -0.178 0.000 0.749 252 L CB -1.328 40.770 42.059 0.066 0.000 0.893 252 L HN 0.289 nan 8.230 nan 0.000 0.432 253 E N -1.427 118.747 120.200 -0.043 0.000 2.072 253 E HA -0.289 4.061 4.350 -0.000 0.000 0.191 253 E C 2.182 178.750 176.600 -0.054 0.000 0.985 253 E CA 1.003 57.401 56.400 -0.004 0.000 0.801 253 E CB -0.108 29.634 29.700 0.069 0.000 0.750 253 E HN 0.531 nan 8.360 nan 0.000 0.452 254 Q N 0.333 120.079 119.800 -0.089 0.000 2.084 254 Q HA -0.184 4.156 4.340 -0.000 0.000 0.202 254 Q C 2.087 177.991 176.000 -0.159 0.000 0.978 254 Q CA 1.687 57.431 55.803 -0.097 0.000 0.844 254 Q CB -0.118 28.582 28.738 -0.064 0.000 0.898 254 Q HN 0.276 nan 8.270 nan 0.000 0.426 255 Q N -0.640 118.954 119.800 -0.344 0.000 2.124 255 Q HA -0.106 4.234 4.340 -0.000 0.000 0.202 255 Q C 1.670 177.604 176.000 -0.110 0.000 0.977 255 Q CA 0.932 56.528 55.803 -0.345 0.000 0.850 255 Q CB -0.159 28.140 28.738 -0.731 0.000 0.901 255 Q HN 0.307 nan 8.270 nan 0.000 0.429 256 L N 0.907 122.054 121.223 -0.127 0.000 2.492 256 L HA -0.019 4.321 4.340 -0.000 0.000 0.223 256 L C 2.253 179.182 176.870 0.099 0.000 1.132 256 L CA 1.065 55.901 54.840 -0.007 0.000 0.850 256 L CB -0.825 41.146 42.059 -0.147 0.000 0.966 256 L HN 0.173 nan 8.230 nan 0.000 0.454 257 S N -1.001 114.720 115.700 0.034 0.000 2.440 257 S HA -0.152 4.318 4.470 -0.000 0.000 0.238 257 S C 2.001 176.593 174.600 -0.014 0.000 1.010 257 S CA 0.959 59.169 58.200 0.016 0.000 0.972 257 S CB -0.311 62.887 63.200 -0.004 0.000 0.774 257 S HN 0.324 nan 8.310 nan 0.000 0.501 258 A N 0.434 123.214 122.820 -0.066 0.000 2.081 258 A HA 0.425 4.745 4.320 -0.000 0.000 0.214 258 A C 0.976 178.352 177.584 -0.348 0.000 1.158 258 A CA 0.078 51.955 52.037 -0.266 0.000 0.724 258 A CB -0.476 18.254 19.000 -0.449 0.000 0.826 258 A HN 0.555 nan 8.150 nan 0.000 0.463 259 F N 1.709 121.623 119.950 -0.060 0.000 2.974 259 F HA 0.120 4.647 4.527 -0.000 0.000 0.292 259 F C 1.488 177.270 175.800 -0.030 0.000 1.209 259 F CA -0.418 57.548 58.000 -0.056 0.000 1.366 259 F CB -0.266 38.678 39.000 -0.095 0.000 1.033 259 F HN 0.324 nan 8.300 nan 0.000 0.516 260 N N 0.383 119.145 118.700 0.103 0.000 2.364 260 N HA -0.211 4.529 4.740 -0.000 0.000 0.183 260 N C 1.005 176.577 175.510 0.104 0.000 1.022 260 N CA 1.030 54.140 53.050 0.100 0.000 0.883 260 N CB -0.163 38.360 38.487 0.060 0.000 0.965 260 N HN 0.464 nan 8.380 nan 0.000 0.438 261 Q N -0.025 119.828 119.800 0.089 0.000 2.188 261 Q HA 0.360 4.699 4.340 -0.000 0.000 0.212 261 Q C -0.222 175.836 176.000 0.097 0.000 0.846 261 Q CA -0.321 55.531 55.803 0.083 0.000 0.989 261 Q CB 0.517 29.285 28.738 0.051 0.000 1.114 261 Q HN 0.314 nan 8.270 nan 0.000 0.488 262 L N 1.555 122.853 121.223 0.125 0.000 2.426 262 L HA 0.120 4.459 4.340 -0.000 0.000 0.271 262 L C 0.356 177.292 176.870 0.109 0.000 1.169 262 L CA -0.442 54.459 54.840 0.102 0.000 0.836 262 L CB 0.421 42.524 42.059 0.073 0.000 1.112 262 L HN 0.241 nan 8.230 nan 0.000 0.465 263 N N 2.249 120.999 118.700 0.083 0.000 2.458 263 N HA -0.057 4.683 4.740 -0.000 0.000 0.258 263 N C 0.720 176.315 175.510 0.142 0.000 1.219 263 N CA 0.097 53.208 53.050 0.103 0.000 0.902 263 N CB 0.973 39.498 38.487 0.062 0.000 1.076 263 N HN 0.538 nan 8.380 nan 0.000 0.455 264 E N 1.699 122.049 120.200 0.250 0.000 2.110 264 E HA -0.214 4.136 4.350 -0.000 0.000 0.193 264 E C 1.087 177.750 176.600 0.106 0.000 0.988 264 E CA 1.453 58.113 56.400 0.433 0.000 0.804 264 E CB 0.113 30.129 29.700 0.527 0.000 0.745 264 E HN 0.590 nan 8.360 nan 0.000 0.458 265 E N 0.834 120.963 120.200 -0.117 0.000 2.110 265 E HA -0.190 4.160 4.350 -0.000 0.000 0.193 265 E C 1.441 177.814 176.600 -0.377 0.000 0.988 265 E CA 1.392 57.456 56.400 -0.560 0.000 0.804 265 E CB -0.147 29.403 29.700 -0.250 0.000 0.745 265 E HN 0.247 nan 8.360 nan 0.000 0.458 266 D N 0.476 120.766 120.400 -0.184 0.000 2.117 266 D HA -0.077 4.563 4.640 -0.000 0.000 0.198 266 D C 2.003 178.166 176.300 -0.228 0.000 0.982 266 D CA 0.755 54.655 54.000 -0.166 0.000 0.828 266 D CB -0.248 40.494 40.800 -0.096 0.000 0.967 266 D HN 0.195 nan 8.370 nan 0.000 0.464 267 I N 0.610 121.038 120.570 -0.236 0.000 2.163 267 I HA -0.328 3.842 4.170 -0.000 0.000 0.243 267 I C 2.506 178.365 176.117 -0.431 0.000 1.085 267 I CA 1.115 62.164 61.300 -0.418 0.000 1.347 267 I CB -0.188 37.418 38.000 -0.656 0.000 1.044 267 I HN -0.042 nan 8.210 nan 0.000 0.408 268 Q N 0.649 120.232 119.800 -0.361 0.000 2.061 268 Q HA -0.234 4.106 4.340 -0.000 0.000 0.204 268 Q C 2.363 178.216 176.000 -0.246 0.000 0.984 268 Q CA 2.506 58.127 55.803 -0.304 0.000 0.846 268 Q CB -0.446 27.872 28.738 -0.701 0.000 0.902 268 Q HN 0.380 nan 8.270 nan 0.000 0.421 269 S N -1.384 114.153 115.700 -0.272 0.000 2.370 269 S HA -0.181 4.289 4.470 -0.000 0.000 0.226 269 S C 1.843 176.345 174.600 -0.163 0.000 1.033 269 S CA 1.857 59.947 58.200 -0.183 0.000 1.011 269 S CB -0.646 62.453 63.200 -0.170 0.000 0.852 269 S HN 0.655 nan 8.310 nan 0.000 0.457 270 T N 2.901 117.330 114.554 -0.209 0.000 2.746 270 T HA 0.002 4.352 4.350 -0.000 0.000 0.267 270 T C 1.765 176.351 174.700 -0.190 0.000 1.039 270 T CA 1.507 63.475 62.100 -0.219 0.000 1.142 270 T CB -0.446 68.248 68.868 -0.291 0.000 0.866 270 T HN 0.338 nan 8.240 nan 0.000 0.444 271 L N 0.234 121.340 121.223 -0.195 0.000 2.083 271 L HA -0.064 4.276 4.340 -0.000 0.000 0.209 271 L C 2.470 179.303 176.870 -0.061 0.000 1.083 271 L CA 0.712 55.480 54.840 -0.120 0.000 0.752 271 L CB -0.574 41.417 42.059 -0.114 0.000 0.899 271 L HN 0.215 nan 8.230 nan 0.000 0.433 272 L N 0.043 121.231 121.223 -0.059 0.000 2.017 272 L HA -0.228 4.112 4.340 -0.000 0.000 0.208 272 L C 2.040 178.897 176.870 -0.023 0.000 1.073 272 L CA 1.899 56.722 54.840 -0.028 0.000 0.745 272 L CB -0.688 41.357 42.059 -0.023 0.000 0.894 272 L HN 0.175 nan 8.230 nan 0.000 0.432 273 D N -0.841 119.540 120.400 -0.032 0.000 2.178 273 D HA -0.186 4.454 4.640 -0.000 0.000 0.201 273 D C 2.167 178.471 176.300 0.008 0.000 0.980 273 D CA 1.239 55.258 54.000 0.030 0.000 0.842 273 D CB -0.163 40.600 40.800 -0.061 0.000 0.948 273 D HN 0.308 nan 8.370 nan 0.000 0.472 274 L N 0.694 121.872 121.223 -0.075 0.000 2.012 274 L HA -0.171 4.169 4.340 -0.000 0.000 0.210 274 L C 2.125 178.938 176.870 -0.095 0.000 1.073 274 L CA 1.805 56.584 54.840 -0.101 0.000 0.748 274 L CB -0.998 41.029 42.059 -0.053 0.000 0.891 274 L HN -0.053 nan 8.230 nan 0.000 0.431 275 T N -1.065 113.454 114.554 -0.058 0.000 2.674 275 T HA -0.220 4.129 4.350 -0.000 0.000 0.265 275 T C 1.971 176.637 174.700 -0.057 0.000 1.039 275 T CA 1.807 63.872 62.100 -0.059 0.000 1.150 275 T CB -0.781 68.063 68.868 -0.041 0.000 0.864 275 T HN 0.507 nan 8.240 nan 0.000 0.427 276 C N 0.803 120.082 119.300 -0.035 0.000 2.432 276 C HA -0.068 4.392 4.460 -0.000 0.000 0.277 276 C C 2.650 177.570 174.990 -0.116 0.000 1.249 276 C CA 0.251 59.227 59.018 -0.071 0.000 1.725 276 C CB -1.311 26.395 27.740 -0.057 0.000 2.028 276 C HN 0.622 nan 8.230 nan 0.000 0.477 277 H N 0.963 119.953 119.070 -0.134 0.000 2.357 277 H HA -0.111 4.445 4.556 -0.000 0.000 0.301 277 H C 2.546 177.772 175.328 -0.169 0.000 1.082 277 H CA 2.059 58.020 56.048 -0.145 0.000 1.342 277 H CB -0.313 29.357 29.762 -0.153 0.000 1.389 277 H HN 0.607 nan 8.280 nan 0.000 0.511 278 S N 0.514 116.145 115.700 -0.115 0.000 2.383 278 S HA -0.078 4.391 4.470 -0.000 0.000 0.227 278 S C 2.247 176.829 174.600 -0.031 0.000 1.026 278 S CA 0.661 58.756 58.200 -0.174 0.000 0.981 278 S CB -0.570 62.409 63.200 -0.370 0.000 0.818 278 S HN 0.247 nan 8.310 nan 0.000 0.472 279 I N 2.322 122.859 120.570 -0.056 0.000 2.163 279 I HA -0.110 4.060 4.170 -0.000 0.000 0.240 279 I C 3.125 179.177 176.117 -0.109 0.000 1.081 279 I CA 1.139 62.396 61.300 -0.071 0.000 1.353 279 I CB -0.722 37.214 38.000 -0.107 0.000 1.054 279 I HN 0.406 nan 8.210 nan 0.000 0.407 280 A N 0.095 122.824 122.820 -0.151 0.000 1.883 280 A HA -0.308 4.012 4.320 -0.000 0.000 0.217 280 A C 2.239 179.752 177.584 -0.118 0.000 1.186 280 A CA 1.874 53.802 52.037 -0.183 0.000 0.624 280 A CB -0.805 18.054 19.000 -0.234 0.000 0.822 280 A HN 0.484 nan 8.150 nan 0.000 0.444 281 Q N -0.711 119.045 119.800 -0.074 0.000 2.077 281 Q HA -0.226 4.114 4.340 -0.000 0.000 0.206 281 Q C 1.626 177.641 176.000 0.025 0.000 0.989 281 Q CA 1.757 57.549 55.803 -0.018 0.000 0.853 281 Q CB -0.210 28.529 28.738 0.001 0.000 0.907 281 Q HN 0.625 nan 8.270 nan 0.000 0.418 282 D N 0.116 120.553 120.400 0.061 0.000 2.117 282 D HA -0.089 4.551 4.640 -0.000 0.000 0.198 282 D C 1.857 178.195 176.300 0.065 0.000 0.982 282 D CA 0.819 54.910 54.000 0.153 0.000 0.828 282 D CB -0.103 40.868 40.800 0.286 0.000 0.967 282 D HN 0.235 nan 8.370 nan 0.000 0.464 283 I N 0.702 121.238 120.570 -0.057 0.000 2.163 283 I HA -0.263 3.907 4.170 -0.000 0.000 0.243 283 I C 2.365 178.438 176.117 -0.073 0.000 1.085 283 I CA 0.823 62.038 61.300 -0.141 0.000 1.347 283 I CB -0.181 37.626 38.000 -0.321 0.000 1.044 283 I HN -0.015 nan 8.210 nan 0.000 0.408 284 L N 0.292 121.487 121.223 -0.047 0.000 2.131 284 L HA -0.198 4.142 4.340 -0.000 0.000 0.210 284 L C 2.438 179.319 176.870 0.020 0.000 1.092 284 L CA 1.290 56.139 54.840 0.015 0.000 0.759 284 L CB -0.516 41.546 42.059 0.005 0.000 0.903 284 L HN 0.183 nan 8.230 nan 0.000 0.435 285 K N -0.017 120.395 120.400 0.019 0.000 2.211 285 K HA -0.109 4.211 4.320 -0.000 0.000 0.203 285 K C 2.030 178.625 176.600 -0.008 0.000 1.050 285 K CA 0.985 57.288 56.287 0.028 0.000 0.945 285 K CB -0.020 32.520 32.500 0.066 0.000 0.732 285 K HN 0.294 nan 8.250 nan 0.000 0.451 286 L N -0.105 121.069 121.223 -0.082 0.000 2.068 286 L HA 0.027 4.367 4.340 -0.000 0.000 0.204 286 L C 0.683 177.404 176.870 -0.248 0.000 1.076 286 L CA 0.279 54.933 54.840 -0.309 0.000 0.753 286 L CB 0.049 41.733 42.059 -0.626 0.000 0.910 286 L HN 0.045 nan 8.230 nan 0.000 0.439 287 A N -1.333 121.449 122.820 -0.064 0.000 2.577 287 A HA 0.373 4.693 4.320 -0.000 0.000 0.297 287 A C -0.226 177.453 177.584 0.159 0.000 1.060 287 A CA -0.584 51.490 52.037 0.061 0.000 0.697 287 A CB 1.157 20.238 19.000 0.135 0.000 1.281 287 A HN 0.141 nan 8.150 nan 0.000 0.402 288 Q N 0.354 120.205 119.800 0.084 0.000 2.398 288 Q HA 0.088 4.428 4.340 -0.000 0.000 0.204 288 Q C -0.364 175.645 176.000 0.016 0.000 0.932 288 Q CA 0.879 56.743 55.803 0.102 0.000 0.916 288 Q CB 0.590 29.352 28.738 0.039 0.000 1.024 288 Q HN 0.775 nan 8.270 nan 0.000 0.504 289 E N -0.670 119.407 120.200 -0.205 0.000 2.314 289 E HA 0.619 4.969 4.350 -0.000 0.000 0.272 289 E C -0.545 175.599 176.600 -0.760 0.000 0.884 289 E CA -0.508 55.589 56.400 -0.505 0.000 0.753 289 E CB 2.339 31.892 29.700 -0.245 0.000 1.213 289 E HN 0.149 nan 8.360 nan 0.000 0.432 290 G N 1.674 109.790 108.800 -1.140 0.000 2.392 290 G HA2 0.158 4.118 3.960 -0.000 0.000 0.260 290 G HA3 0.158 4.118 3.960 -0.000 0.000 0.260 290 G C -1.496 173.110 174.900 -0.490 0.000 1.226 290 G CA -0.765 43.935 45.100 -0.667 0.000 0.913 290 G HN 0.387 nan 8.290 nan 0.000 0.483 291 E N -0.452 119.675 120.200 -0.122 0.000 2.210 291 E HA 0.543 4.893 4.350 -0.000 0.000 0.266 291 E C -1.466 175.089 176.600 -0.075 0.000 0.883 291 E CA -0.702 55.632 56.400 -0.109 0.000 0.761 291 E CB 2.775 32.452 29.700 -0.039 0.000 1.156 291 E HN 0.375 nan 8.360 nan 0.000 0.412 292 L N 3.836 124.871 121.223 -0.314 0.000 2.313 292 L HA 0.524 4.864 4.340 -0.000 0.000 0.283 292 L C -1.794 174.626 176.870 -0.750 0.000 1.013 292 L CA -0.326 54.307 54.840 -0.344 0.000 0.816 292 L CB 0.513 42.423 42.059 -0.249 0.000 1.236 292 L HN 0.387 nan 8.230 nan 0.000 0.419 293 F N 5.043 124.874 119.950 -0.200 0.000 2.460 293 F HA 0.573 5.100 4.527 -0.000 0.000 0.341 293 F C -0.140 175.475 175.800 -0.309 0.000 1.130 293 F CA -0.871 56.950 58.000 -0.299 0.000 0.962 293 F CB 1.790 40.511 39.000 -0.466 0.000 1.171 293 F HN 0.120 nan 8.300 nan 0.000 0.436 294 V N 3.023 122.846 119.914 -0.151 0.000 2.472 294 V HA 0.602 4.722 4.120 -0.000 0.000 0.290 294 V C 0.147 176.126 176.094 -0.192 0.000 1.037 294 V CA -0.809 61.384 62.300 -0.178 0.000 0.908 294 V CB 1.154 32.859 31.823 -0.197 0.000 0.985 294 V HN 1.038 nan 8.190 nan 0.000 0.454 295 C N 1.669 120.875 119.300 -0.156 0.000 3.259 295 C HA 1.074 5.533 4.460 -0.000 0.000 0.328 295 C C 0.522 175.452 174.990 -0.101 0.000 1.425 295 C CA -0.327 58.612 59.018 -0.131 0.000 1.465 295 C CB 0.884 28.606 27.740 -0.031 0.000 1.890 295 C HN 1.930 nan 8.230 nan 0.000 0.450 296 G N -0.235 108.530 108.800 -0.058 0.000 2.796 296 G HA2 0.353 4.312 3.960 -0.000 0.000 0.571 296 G HA3 0.353 4.312 3.960 -0.000 0.000 0.571 296 G C 0.675 175.579 174.900 0.005 0.000 1.370 296 G CA 0.007 45.093 45.100 -0.024 0.000 0.856 296 G HN 2.273 nan 8.290 nan 0.000 0.538 297 G N -0.301 108.523 108.800 0.040 0.000 2.450 297 G HA2 0.176 4.136 3.960 -0.000 0.000 0.220 297 G HA3 0.176 4.136 3.960 -0.000 0.000 0.220 297 G C 1.977 176.954 174.900 0.128 0.000 1.130 297 G CA 2.056 47.230 45.100 0.124 0.000 0.760 297 G HN 1.981 nan 8.290 nan 0.000 0.557 298 G N 1.005 109.816 108.800 0.018 0.000 2.462 298 G HA2 0.038 3.998 3.960 -0.000 0.000 0.220 298 G HA3 0.038 3.998 3.960 -0.000 0.000 0.220 298 G C 1.955 176.801 174.900 -0.089 0.000 1.121 298 G CA 1.330 46.423 45.100 -0.012 0.000 0.758 298 G HN 0.657 nan 8.290 nan 0.000 0.559 299 A N 0.130 122.804 122.820 -0.243 0.000 2.076 299 A HA 0.150 4.470 4.320 -0.000 0.000 0.220 299 A C 1.842 179.111 177.584 -0.525 0.000 1.160 299 A CA 1.069 52.831 52.037 -0.458 0.000 0.653 299 A CB -0.403 18.189 19.000 -0.680 0.000 0.801 299 A HN 0.351 nan 8.150 nan 0.000 0.455 300 F N -0.625 119.311 119.950 -0.023 0.000 2.749 300 F HA 0.200 4.727 4.527 -0.000 0.000 0.300 300 F C 0.928 176.742 175.800 0.023 0.000 1.103 300 F CA -0.483 57.516 58.000 -0.002 0.000 1.342 300 F CB -0.069 38.929 39.000 -0.005 0.000 1.098 300 F HN 0.093 nan 8.300 nan 0.000 0.586 301 N N 1.641 120.424 118.700 0.139 0.000 2.402 301 N HA 0.143 4.883 4.740 -0.000 0.000 0.259 301 N C 1.116 176.657 175.510 0.050 0.000 1.167 301 N CA 0.414 53.529 53.050 0.108 0.000 0.949 301 N CB 1.054 39.597 38.487 0.092 0.000 1.212 301 N HN 0.190 nan 8.380 nan 0.000 0.493 302 A N 3.629 126.484 122.820 0.058 0.000 1.908 302 A HA -0.203 4.117 4.320 -0.000 0.000 0.218 302 A C 1.956 179.546 177.584 0.010 0.000 1.181 302 A CA 1.649 53.703 52.037 0.028 0.000 0.627 302 A CB -0.431 18.591 19.000 0.036 0.000 0.818 302 A HN 0.704 nan 8.150 nan 0.000 0.445 303 E N -0.121 120.090 120.200 0.019 0.000 2.051 303 E HA -0.070 4.279 4.350 -0.000 0.000 0.192 303 E C 1.122 177.718 176.600 -0.007 0.000 0.991 303 E CA 0.562 56.966 56.400 0.007 0.000 0.799 303 E CB -0.418 29.292 29.700 0.017 0.000 0.748 303 E HN 0.574 nan 8.360 nan 0.000 0.449 307 R N 0.534 121.002 120.500 -0.054 0.000 2.092 307 R HA -0.039 4.301 4.340 -0.000 0.000 0.231 307 R C 2.080 178.317 176.300 -0.105 0.000 1.119 307 R CA 1.407 57.469 56.100 -0.065 0.000 0.970 307 R CB -0.068 30.204 30.300 -0.046 0.000 0.864 307 R HN 0.188 nan 8.270 nan 0.000 0.440 308 L N 0.719 121.875 121.223 -0.112 0.000 2.017 308 L HA -0.094 4.245 4.340 -0.000 0.000 0.208 308 L C 2.334 179.120 176.870 -0.140 0.000 1.073 308 L CA 1.839 56.591 54.840 -0.147 0.000 0.745 308 L CB -0.786 41.184 42.059 -0.148 0.000 0.894 308 L HN 0.139 nan 8.230 nan 0.000 0.432 309 A N -0.675 122.080 122.820 -0.109 0.000 1.892 309 A HA -0.239 4.081 4.320 -0.000 0.000 0.218 309 A C 2.426 179.966 177.584 -0.073 0.000 1.188 309 A CA 2.155 54.141 52.037 -0.085 0.000 0.631 309 A CB -1.179 17.780 19.000 -0.069 0.000 0.822 309 A HN 0.502 nan 8.150 nan 0.000 0.447 310 A N -0.841 121.935 122.820 -0.074 0.000 2.019 310 A HA 0.055 4.375 4.320 -0.000 0.000 0.219 310 A C 2.031 179.565 177.584 -0.084 0.000 1.164 310 A CA 1.396 53.393 52.037 -0.066 0.000 0.644 310 A CB -0.467 18.499 19.000 -0.056 0.000 0.805 310 A HN 0.482 nan 8.150 nan 0.000 0.449 311 L N -1.238 119.909 121.223 -0.127 0.000 2.492 311 L HA 0.170 4.510 4.340 -0.000 0.000 0.223 311 L C 0.170 176.969 176.870 -0.118 0.000 1.132 311 L CA 0.302 55.044 54.840 -0.164 0.000 0.850 311 L CB 0.048 41.942 42.059 -0.276 0.000 0.966 311 L HN 0.254 nan 8.230 nan 0.000 0.454 312 L N 0.847 122.018 121.223 -0.086 0.000 2.732 312 L HA 0.232 4.572 4.340 -0.000 0.000 0.246 312 L C -1.485 175.421 176.870 0.060 0.000 1.407 312 L CA -0.915 53.914 54.840 -0.017 0.000 0.861 312 L CB 0.721 42.699 42.059 -0.136 0.000 1.161 312 L HN -0.131 nan 8.230 nan 0.000 0.510 313 P HA -0.122 nan 4.420 nan 0.000 0.220 313 P C 1.409 178.723 177.300 0.023 0.000 1.148 313 P CA 1.048 64.157 63.100 0.015 0.000 0.803 313 P CB 0.342 32.041 31.700 -0.002 0.000 0.782 314 G N -2.188 106.643 108.800 0.051 0.000 2.848 314 G HA2 -0.081 3.879 3.960 -0.000 0.000 0.208 314 G HA3 -0.081 3.879 3.960 -0.000 0.000 0.208 314 G C -0.006 174.819 174.900 -0.125 0.000 1.152 314 G CA 0.078 45.162 45.100 -0.027 0.000 0.789 314 G HN 0.248 nan 8.290 nan 0.000 0.531 315 Y N -0.452 119.800 120.300 -0.080 0.000 2.387 315 Y HA 0.461 5.011 4.550 -0.000 0.000 0.336 315 Y C 0.647 176.470 175.900 -0.128 0.000 1.067 315 Y CA -1.190 56.846 58.100 -0.107 0.000 1.114 315 Y CB 1.402 39.786 38.460 -0.126 0.000 1.208 315 Y HN -0.138 nan 8.280 nan 0.000 0.458 316 R N 4.594 125.066 120.500 -0.048 0.000 2.308 316 R HA 0.503 4.843 4.340 -0.000 0.000 0.305 316 R C -1.458 174.741 176.300 -0.169 0.000 1.053 316 R CA -0.084 55.952 56.100 -0.106 0.000 0.957 316 R CB 0.218 30.435 30.300 -0.138 0.000 1.022 316 R HN 0.750 nan 8.270 nan 0.000 0.461 317 I N 3.661 124.127 120.570 -0.175 0.000 2.465 317 I HA 0.368 4.538 4.170 -0.000 0.000 0.291 317 I C -0.423 175.548 176.117 -0.244 0.000 1.014 317 I CA -0.705 60.454 61.300 -0.235 0.000 1.093 317 I CB 2.010 39.912 38.000 -0.164 0.000 1.267 317 I HN 0.620 nan 8.210 nan 0.000 0.431 318 D N 2.154 122.365 120.400 -0.315 0.000 2.643 318 D HA 0.305 4.945 4.640 -0.000 0.000 0.283 318 D C -0.779 175.429 176.300 -0.153 0.000 1.242 318 D CA -0.092 53.795 54.000 -0.189 0.000 0.863 318 D CB 2.624 43.355 40.800 -0.115 0.000 1.382 318 D HN 0.580 nan 8.370 nan 0.000 0.444 319 T N -2.665 111.835 114.554 -0.090 0.000 2.824 319 T HA 0.292 4.642 4.350 -0.000 0.000 0.277 319 T C 1.480 176.174 174.700 -0.011 0.000 0.975 319 T CA 0.372 62.407 62.100 -0.109 0.000 0.966 319 T CB 0.826 69.585 68.868 -0.182 0.000 1.054 319 T HN 0.409 nan 8.240 nan 0.000 0.533 320 T N -1.304 113.186 114.554 -0.106 0.000 3.051 320 T HA -0.093 4.257 4.350 -0.000 0.000 0.269 320 T C 1.992 176.638 174.700 -0.090 0.000 1.127 320 T CA 1.044 63.008 62.100 -0.226 0.000 1.107 320 T CB -0.988 67.690 68.868 -0.316 0.000 0.898 320 T HN 0.740 nan 8.240 nan 0.000 0.517 321 S N 1.754 117.451 115.700 -0.006 0.000 2.447 321 S HA 0.199 4.668 4.470 -0.000 0.000 0.233 321 S C 2.378 176.998 174.600 0.033 0.000 1.006 321 S CA 0.469 58.694 58.200 0.041 0.000 0.957 321 S CB -0.702 62.540 63.200 0.070 0.000 0.773 321 S HN 0.705 nan 8.310 nan 0.000 0.507 322 A N 1.677 124.522 122.820 0.041 0.000 2.024 322 A HA 0.129 4.449 4.320 -0.000 0.000 0.220 322 A C 1.874 179.451 177.584 -0.013 0.000 1.164 322 A CA 1.099 53.176 52.037 0.067 0.000 0.643 322 A CB -0.604 18.521 19.000 0.207 0.000 0.806 322 A HN 0.595 nan 8.150 nan 0.000 0.451 323 L N -1.554 119.600 121.223 -0.116 0.000 2.910 323 L HA 0.326 4.666 4.340 -0.000 0.000 0.252 323 L C 1.330 178.219 176.870 0.031 0.000 1.195 323 L CA 0.293 55.052 54.840 -0.134 0.000 1.003 323 L CB -0.010 41.829 42.059 -0.367 0.000 1.328 323 L HN 0.495 nan 8.230 nan 0.000 0.540 324 G N 0.686 109.514 108.800 0.048 0.000 2.160 324 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.251 324 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.251 324 G C -0.062 174.923 174.900 0.140 0.000 1.008 324 G CA 0.157 45.308 45.100 0.084 0.000 0.724 324 G HN 0.168 nan 8.290 nan 0.000 0.514 325 V N 0.834 120.861 119.914 0.188 0.000 2.483 325 V HA 0.383 4.503 4.120 -0.000 0.000 0.297 325 V C 0.041 176.269 176.094 0.222 0.000 1.027 325 V CA -1.228 61.226 62.300 0.256 0.000 0.855 325 V CB 1.864 33.945 31.823 0.429 0.000 0.995 325 V HN 0.350 nan 8.190 nan 0.000 0.424 326 D N 7.869 128.422 120.400 0.254 0.000 2.434 326 D HA 0.068 4.708 4.640 -0.000 0.000 0.252 326 D C -1.282 175.152 176.300 0.224 0.000 1.185 326 D CA -1.224 52.939 54.000 0.272 0.000 0.886 326 D CB 2.022 43.084 40.800 0.437 0.000 1.148 326 D HN 0.265 nan 8.370 nan 0.000 0.483 327 P HA -0.130 nan 4.420 nan 0.000 0.225 327 P C 1.142 178.466 177.300 0.040 0.000 1.148 327 P CA 0.844 63.959 63.100 0.025 0.000 0.779 327 P CB 0.332 31.917 31.700 -0.191 0.000 0.780 328 K N -0.898 119.526 120.400 0.040 0.000 2.155 328 K HA -0.096 4.224 4.320 -0.000 0.000 0.203 328 K C 1.198 177.454 176.600 -0.574 0.000 1.052 328 K CA 1.155 57.235 56.287 -0.345 0.000 0.948 328 K CB -0.238 31.832 32.500 -0.717 0.000 0.728 328 K HN 0.147 nan 8.250 nan 0.000 0.448 329 W N -0.582 120.801 121.300 0.137 0.000 3.127 329 W HA 0.350 5.010 4.660 -0.000 0.000 0.344 329 W C 1.726 178.325 176.519 0.134 0.000 1.151 329 W CA -0.128 57.282 57.345 0.108 0.000 1.765 329 W CB 0.323 29.835 29.460 0.088 0.000 1.085 329 W HN 0.025 nan 8.180 nan 0.000 0.596 330 A N 0.911 123.915 122.820 0.306 0.000 1.927 330 A HA -0.310 4.010 4.320 -0.000 0.000 0.220 330 A C 1.837 179.581 177.584 0.267 0.000 1.185 330 A CA 2.322 54.565 52.037 0.343 0.000 0.639 330 A CB -0.645 18.570 19.000 0.358 0.000 0.820 330 A HN 0.423 nan 8.150 nan 0.000 0.451 331 E N -1.018 119.309 120.200 0.212 0.000 2.072 331 E HA -0.070 4.280 4.350 -0.000 0.000 0.191 331 E C 2.143 178.885 176.600 0.237 0.000 0.985 331 E CA 0.821 57.336 56.400 0.191 0.000 0.801 331 E CB -0.401 29.388 29.700 0.148 0.000 0.750 331 E HN 0.537 nan 8.360 nan 0.000 0.452 332 G N 1.184 110.129 108.800 0.242 0.000 2.440 332 G HA2 -0.255 3.704 3.960 -0.000 0.000 0.218 332 G HA3 -0.255 3.704 3.960 -0.000 0.000 0.218 332 G C 1.558 176.583 174.900 0.208 0.000 1.154 332 G CA 0.906 46.163 45.100 0.261 0.000 0.767 332 G HN 0.230 nan 8.290 nan 0.000 0.552 333 I N 1.424 122.081 120.570 0.145 0.000 2.226 333 I HA -0.177 3.993 4.170 -0.000 0.000 0.245 333 I C 3.296 179.268 176.117 -0.241 0.000 1.100 333 I CA 0.944 62.277 61.300 0.054 0.000 1.374 333 I CB -0.231 37.848 38.000 0.132 0.000 1.057 333 I HN 0.238 nan 8.210 nan 0.000 0.413 334 A N 0.722 123.163 122.820 -0.632 0.000 1.908 334 A HA -0.229 4.091 4.320 -0.000 0.000 0.218 334 A C 2.100 179.353 177.584 -0.552 0.000 1.181 334 A CA 1.722 53.136 52.037 -1.039 0.000 0.627 334 A CB -1.040 17.460 19.000 -0.833 0.000 0.818 334 A HN 0.368 nan 8.150 nan 0.000 0.445 335 F N -0.065 119.773 119.950 -0.186 0.000 2.259 335 F HA -0.008 4.519 4.527 -0.000 0.000 0.298 335 F C 2.739 178.525 175.800 -0.023 0.000 1.088 335 F CA 0.850 58.769 58.000 -0.134 0.000 1.358 335 F CB -0.339 38.669 39.000 0.013 0.000 1.040 335 F HN 0.260 nan 8.300 nan 0.000 0.505 336 A N -0.740 122.221 122.820 0.235 0.000 1.933 336 A HA -0.269 4.050 4.320 -0.000 0.000 0.218 336 A C 2.011 179.702 177.584 0.178 0.000 1.175 336 A CA 1.557 53.794 52.037 0.333 0.000 0.628 336 A CB -1.526 17.738 19.000 0.441 0.000 0.814 336 A HN 0.645 nan 8.150 nan 0.000 0.444 337 W N 0.476 121.650 121.300 -0.211 0.000 2.388 337 W HA -0.086 4.574 4.660 -0.000 0.000 0.294 337 W C 1.693 177.884 176.519 -0.547 0.000 1.212 337 W CA 1.618 58.551 57.345 -0.687 0.000 1.271 337 W CB -0.147 28.919 29.460 -0.656 0.000 1.126 337 W HN 0.249 nan 8.180 nan 0.000 0.535 338 L N 0.600 121.650 121.223 -0.289 0.000 2.083 338 L HA -0.071 4.269 4.340 -0.000 0.000 0.209 338 L C 2.108 178.871 176.870 -0.179 0.000 1.083 338 L CA 0.590 55.161 54.840 -0.447 0.000 0.752 338 L CB -1.602 39.827 42.059 -1.051 0.000 0.899 338 L HN -0.012 nan 8.230 nan 0.000 0.433 342 Y N 2.934 123.153 120.300 -0.135 0.000 2.114 342 Y HA -0.316 4.234 4.550 -0.000 0.000 0.282 342 Y C 2.623 178.514 175.900 -0.015 0.000 1.165 342 Y CA 2.848 60.939 58.100 -0.015 0.000 1.148 342 Y CB 0.085 38.605 38.460 0.100 0.000 0.972 342 Y HN 0.149 nan 8.280 nan 0.000 0.504 343 Q N 0.542 120.521 119.800 0.299 0.000 2.135 343 Q HA -0.164 4.176 4.340 -0.000 0.000 0.204 343 Q C 1.696 177.735 176.000 0.066 0.000 0.981 343 Q CA 2.006 57.957 55.803 0.247 0.000 0.856 343 Q CB -0.419 28.509 28.738 0.318 0.000 0.902 343 Q HN 0.666 nan 8.270 nan 0.000 0.425 344 L N -1.306 119.898 121.223 -0.032 0.000 2.591 344 L HA 0.240 4.579 4.340 -0.000 0.000 0.228 344 L C 1.000 177.805 176.870 -0.109 0.000 1.133 344 L CA 0.396 55.191 54.840 -0.076 0.000 0.880 344 L CB -0.270 41.713 42.059 -0.127 0.000 1.033 344 L HN 0.525 nan 8.230 nan 0.000 0.450 345 G N 1.117 109.824 108.800 -0.154 0.000 2.176 345 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.252 345 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.252 345 G C -0.074 174.729 174.900 -0.162 0.000 1.024 345 G CA -0.021 44.968 45.100 -0.185 0.000 0.755 345 G HN 0.252 nan 8.290 nan 0.000 0.507 346 L N 0.756 121.874 121.223 -0.175 0.000 2.334 346 L HA 0.587 4.927 4.340 -0.000 0.000 0.273 346 L C -1.624 175.162 176.870 -0.140 0.000 1.013 346 L CA -2.495 52.251 54.840 -0.157 0.000 0.816 346 L CB 2.166 44.107 42.059 -0.196 0.000 1.278 346 L HN -0.047 nan 8.230 nan 0.000 0.431 347 P HA 0.192 nan 4.420 nan 0.000 0.276 347 P C -0.458 176.822 177.300 -0.033 0.000 1.261 347 P CA -0.264 62.812 63.100 -0.040 0.000 0.800 347 P CB 1.843 33.536 31.700 -0.010 0.000 1.066 348 A N 0.239 123.076 122.820 0.029 0.000 2.425 348 A HA 0.123 4.443 4.320 -0.000 0.000 0.201 348 A C 0.779 178.440 177.584 0.128 0.000 1.431 348 A CA -0.096 52.001 52.037 0.099 0.000 1.066 348 A CB -0.422 18.619 19.000 0.068 0.000 1.318 348 A HN 0.696 nan 8.150 nan 0.000 0.534 349 N N 0.466 119.223 118.700 0.096 0.000 2.463 349 N HA 0.513 5.253 4.740 -0.000 0.000 0.270 349 N C -0.852 174.707 175.510 0.080 0.000 1.205 349 N CA -0.031 53.073 53.050 0.091 0.000 0.974 349 N CB 0.956 39.502 38.487 0.099 0.000 1.197 349 N HN 0.166 nan 8.380 nan 0.000 0.504 350 L N 0.426 121.696 121.223 0.079 0.000 2.404 350 L HA 0.321 4.661 4.340 -0.000 0.000 0.272 350 L C -1.758 175.161 176.870 0.082 0.000 0.980 350 L CA -1.804 53.080 54.840 0.073 0.000 0.836 350 L CB 2.596 44.696 42.059 0.067 0.000 1.238 350 L HN 0.337 nan 8.230 nan 0.000 0.408 351 P HA -0.285 nan 4.420 nan 0.000 0.217 351 P C 1.353 178.709 177.300 0.094 0.000 1.158 351 P CA 1.898 65.044 63.100 0.078 0.000 0.887 351 P CB 0.323 32.062 31.700 0.064 0.000 0.792 352 A N -1.465 121.414 122.820 0.099 0.000 2.067 352 A HA -0.088 4.232 4.320 -0.000 0.000 0.219 352 A C 2.230 179.907 177.584 0.155 0.000 1.158 352 A CA 1.381 53.494 52.037 0.127 0.000 0.661 352 A CB -1.320 17.752 19.000 0.119 0.000 0.801 352 A HN 0.063 nan 8.150 nan 0.000 0.452 353 V N -0.274 119.720 119.914 0.134 0.000 2.331 353 V HA -0.119 4.001 4.120 -0.000 0.000 0.242 353 V C 2.808 179.005 176.094 0.172 0.000 1.034 353 V CA 2.274 64.665 62.300 0.152 0.000 1.027 353 V CB -0.709 31.182 31.823 0.114 0.000 0.667 353 V HN 0.767 nan 8.190 nan 0.000 0.457 354 T N -3.359 111.280 114.554 0.142 0.000 3.014 354 T HA 0.328 4.678 4.350 -0.000 0.000 0.250 354 T C 1.562 176.336 174.700 0.124 0.000 1.060 354 T CA 1.072 63.258 62.100 0.143 0.000 1.040 354 T CB 0.862 69.808 68.868 0.131 0.000 0.971 354 T HN 0.963 nan 8.240 nan 0.000 0.497 355 G N 1.569 110.436 108.800 0.110 0.000 2.176 355 G HA2 -0.059 3.901 3.960 -0.000 0.000 0.253 355 G HA3 -0.059 3.901 3.960 -0.000 0.000 0.253 355 G C 0.430 175.373 174.900 0.072 0.000 0.979 355 G CA -0.024 45.127 45.100 0.085 0.000 0.641 355 G HN 1.209 nan 8.290 nan 0.000 0.530 356 A N 0.538 123.406 122.820 0.079 0.000 2.547 356 A HA 0.575 4.895 4.320 -0.000 0.000 0.233 356 A C 1.818 179.437 177.584 0.059 0.000 1.067 356 A CA 1.424 53.503 52.037 0.070 0.000 0.763 356 A CB 0.223 19.270 19.000 0.078 0.000 1.007 356 A HN 1.731 nan 8.150 nan 0.000 0.506 357 S N 0.701 116.430 115.700 0.050 0.000 2.489 357 S HA 0.131 4.601 4.470 -0.000 0.000 0.228 357 S C 0.640 175.263 174.600 0.039 0.000 0.995 357 S CA 0.597 58.822 58.200 0.041 0.000 0.934 357 S CB -0.312 62.908 63.200 0.035 0.000 0.771 357 S HN 1.070 nan 8.310 nan 0.000 0.522 358 R N -0.297 120.229 120.500 0.043 0.000 2.712 358 R HA 0.411 4.751 4.340 -0.000 0.000 0.272 358 R C -1.933 174.393 176.300 0.044 0.000 1.032 358 R CA -0.946 55.177 56.100 0.038 0.000 0.874 358 R CB 0.531 30.848 30.300 0.029 0.000 1.256 358 R HN 0.054 nan 8.270 nan 0.000 0.468 359 E N 0.383 120.606 120.200 0.039 0.000 2.384 359 E HA 0.406 4.756 4.350 -0.000 0.000 0.266 359 E C -0.616 176.002 176.600 0.031 0.000 1.012 359 E CA 0.324 56.748 56.400 0.039 0.000 0.901 359 E CB 1.257 30.975 29.700 0.030 0.000 0.967 359 E HN 0.583 nan 8.360 nan 0.000 0.435 360 A N 3.263 126.105 122.820 0.038 0.000 2.587 360 A HA 0.498 4.818 4.320 -0.000 0.000 0.293 360 A C -0.779 176.825 177.584 0.032 0.000 1.087 360 A CA -0.796 51.259 52.037 0.031 0.000 0.692 360 A CB 0.935 19.964 19.000 0.047 0.000 1.291 360 A HN 0.560 nan 8.150 nan 0.000 0.407 361 I N 1.535 122.110 120.570 0.009 0.000 2.452 361 I HA 0.185 4.355 4.170 -0.000 0.000 0.287 361 I C -0.550 175.634 176.117 0.112 0.000 1.079 361 I CA 0.258 61.564 61.300 0.010 0.000 1.387 361 I CB 0.384 38.314 38.000 -0.117 0.000 1.404 361 I HN 0.402 nan 8.210 nan 0.000 0.522 362 L N 6.258 127.611 121.223 0.217 0.000 2.322 362 L HA 0.828 5.168 4.340 -0.000 0.000 0.279 362 L C 0.539 177.678 176.870 0.448 0.000 1.036 362 L CA -0.508 54.525 54.840 0.322 0.000 0.807 362 L CB 1.459 43.740 42.059 0.370 0.000 1.226 362 L HN 0.877 nan 8.230 nan 0.000 0.433 363 G N 1.406 110.345 108.800 0.231 0.000 2.612 363 G HA2 0.214 4.174 3.960 -0.000 0.000 0.686 363 G HA3 0.214 4.174 3.960 -0.000 0.000 0.686 363 G C -0.673 174.214 174.900 -0.022 0.000 1.274 363 G CA -0.530 44.496 45.100 -0.124 0.000 0.849 363 G HN 0.979 nan 8.290 nan 0.000 0.595 364 G N -0.669 108.020 108.800 -0.185 0.000 2.482 364 G HA2 0.761 4.721 3.960 -0.000 0.000 0.317 364 G HA3 0.761 4.721 3.960 -0.000 0.000 0.317 364 G C -0.290 174.347 174.900 -0.438 0.000 1.241 364 G CA -0.323 44.652 45.100 -0.208 0.000 0.967 364 G HN 0.811 nan 8.290 nan 0.000 0.482 365 R N 1.263 121.408 120.500 -0.591 0.000 2.294 365 R HA 0.525 4.865 4.340 -0.000 0.000 0.319 365 R C -1.384 174.581 176.300 -0.557 0.000 0.984 365 R CA -0.542 55.263 56.100 -0.491 0.000 0.861 365 R CB 0.547 30.630 30.300 -0.363 0.000 1.104 365 R HN 0.300 nan 8.270 nan 0.000 0.451 366 F N 2.341 122.219 119.950 -0.120 0.000 2.427 366 F HA 0.256 4.782 4.527 -0.000 0.000 0.348 366 F C 0.620 176.396 175.800 -0.039 0.000 1.125 366 F CA -0.701 57.258 58.000 -0.067 0.000 0.989 366 F CB 2.114 41.072 39.000 -0.070 0.000 1.165 366 F HN 0.419 nan 8.300 nan 0.000 0.442 367 S N 2.026 117.775 115.700 0.081 0.000 2.548 367 S HA 0.463 4.933 4.470 -0.000 0.000 0.277 367 S C 1.030 175.671 174.600 0.069 0.000 1.315 367 S CA -0.168 58.065 58.200 0.055 0.000 1.050 367 S CB 1.082 64.296 63.200 0.024 0.000 0.918 367 S HN 0.792 nan 8.310 nan 0.000 0.497 368 A N 5.100 127.953 122.820 0.055 0.000 2.206 368 A HA 0.153 4.473 4.320 -0.000 0.000 0.211 368 A C 1.069 178.673 177.584 0.034 0.000 1.158 368 A CA 0.564 52.628 52.037 0.046 0.000 0.761 368 A CB -0.146 18.878 19.000 0.039 0.000 0.801 368 A HN 0.799 nan 8.150 nan 0.000 0.473 369 K N 0.000 120.418 120.400 0.030 0.000 2.780 369 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 369 K CA 0.000 56.300 56.287 0.022 0.000 0.838 369 K CB 0.000 32.511 32.500 0.018 0.000 1.064 369 K HN 0.000 nan 8.250 nan 0.000 0.543