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 1rrm_1_A DATA FIRST_RESID 3 DATA SEQUENCE ANRXILNETA WFGRGAVGAL TDEVKRRGYQ KALIVTDKTL VQCGVVAKVT DATA SEQUENCE DKXDAAGLAW AIYDGVVPNP TITVVKEGLG VFQNSGADYL IAIGGGSPQD DATA SEQUENCE TCKAIGIISN NPEFADVRSL EGLSPTNKPS VPILAIPTTA GTAAEVTINY DATA SEQUENCE VITDEEKRRK FVCVDPHDIP QVAFIDADXX DGXPPALKAA TGVDALTHAI DATA SEQUENCE EGYITRGAWA LTDALHIKAI EIIAGALRGS VAGDKDAGEE XALGQYVAGX DATA SEQUENCE GFSNVGLGLV HGXAHPLGAF YNTPHGVANA ILLPHVXRYN ADFTGEKYRD DATA SEQUENCE IARVXGVKVE GXSLEEARNA AVEAVFALNR DVGIPPHLRD VGVRKEDIPA DATA SEQUENCE LAQAALDDVC TGGNPREATL EDIVELYHTA WEGG 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 3 A HA 0.000 nan 4.320 nan 0.000 0.244 3 A C 0.000 177.413 177.584 -0.286 0.000 1.274 3 A CA 0.000 51.908 52.037 -0.215 0.000 0.836 3 A CB 0.000 18.910 19.000 -0.151 0.000 0.831 4 N N 1.471 119.891 118.700 -0.466 0.000 2.421 4 N HA 0.436 5.176 4.740 -0.000 0.000 0.285 4 N C -0.080 175.259 175.510 -0.285 0.000 1.027 4 N CA -0.390 52.336 53.050 -0.540 0.000 0.918 4 N CB 2.094 39.772 38.487 -1.348 0.000 1.152 4 N HN 0.775 nan 8.380 nan 0.000 0.485 8 L N 3.824 125.037 121.223 -0.016 0.000 2.397 8 L HA 0.563 4.902 4.340 -0.000 0.000 0.251 8 L C -0.025 176.851 176.870 0.011 0.000 1.064 8 L CA -0.984 53.847 54.840 -0.015 0.000 0.859 8 L CB 2.073 44.136 42.059 0.007 0.000 1.468 8 L HN 0.435 nan 8.230 nan 0.000 0.411 9 N N 1.243 119.969 118.700 0.043 0.000 2.497 9 N HA -0.001 4.739 4.740 -0.000 0.000 0.268 9 N C 0.528 176.056 175.510 0.029 0.000 1.171 9 N CA 0.117 53.193 53.050 0.044 0.000 0.948 9 N CB 1.742 40.274 38.487 0.076 0.000 1.069 9 N HN 0.677 nan 8.380 nan 0.000 0.460 10 E N 1.203 121.410 120.200 0.012 0.000 2.150 10 E HA -0.080 4.270 4.350 -0.000 0.000 0.193 10 E C -0.412 176.172 176.600 -0.028 0.000 0.985 10 E CA 0.882 57.282 56.400 0.001 0.000 0.814 10 E CB 0.395 30.099 29.700 0.007 0.000 0.752 10 E HN 0.461 nan 8.360 nan 0.000 0.466 11 T N -0.042 114.483 114.554 -0.050 0.000 2.893 11 T HA 0.716 5.065 4.350 -0.000 0.000 0.293 11 T C -1.304 173.280 174.700 -0.193 0.000 1.027 11 T CA -0.325 61.702 62.100 -0.122 0.000 0.988 11 T CB 1.824 70.635 68.868 -0.094 0.000 1.043 11 T HN 0.200 nan 8.240 nan 0.000 0.461 12 A N 1.957 124.593 122.820 -0.307 0.000 2.566 12 A HA 0.721 5.041 4.320 -0.000 0.000 0.297 12 A C -2.366 174.863 177.584 -0.591 0.000 1.059 12 A CA -0.964 50.800 52.037 -0.455 0.000 0.691 12 A CB 1.188 19.944 19.000 -0.406 0.000 1.282 12 A HN 0.782 nan 8.150 nan 0.000 0.401 13 W N 0.984 121.907 121.300 -0.628 0.000 2.587 13 W HA 0.725 5.385 4.660 -0.000 0.000 0.324 13 W C -0.982 175.215 176.519 -0.537 0.000 1.040 13 W CA -0.150 56.990 57.345 -0.340 0.000 1.222 13 W CB 1.737 31.130 29.460 -0.112 0.000 1.381 13 W HN 0.519 nan 8.180 nan 0.000 0.483 14 F N 2.299 122.312 119.950 0.104 0.000 2.532 14 F HA 0.838 5.365 4.527 -0.000 0.000 0.321 14 F C 0.842 176.691 175.800 0.082 0.000 1.089 14 F CA -0.748 57.265 58.000 0.021 0.000 0.926 14 F CB 2.083 41.028 39.000 -0.090 0.000 1.168 14 F HN 0.541 nan 8.300 nan 0.000 0.459 15 G N 1.774 110.716 108.800 0.235 0.000 2.515 15 G HA2 -0.043 3.916 3.960 -0.000 0.000 0.686 15 G HA3 -0.043 3.916 3.960 -0.000 0.000 0.686 15 G C -1.348 173.621 174.900 0.114 0.000 1.274 15 G CA -1.432 43.765 45.100 0.162 0.000 0.874 15 G HN 0.674 nan 8.290 nan 0.000 0.631 16 R N 0.199 120.748 120.500 0.082 0.000 2.484 16 R HA 0.416 4.755 4.340 -0.000 0.000 0.293 16 R C 1.539 177.866 176.300 0.045 0.000 1.023 16 R CA 1.574 57.706 56.100 0.053 0.000 1.037 16 R CB 0.502 30.825 30.300 0.039 0.000 0.951 16 R HN 2.288 nan 8.270 nan 0.000 0.418 17 G N 1.529 110.343 108.800 0.023 0.000 2.176 17 G HA2 -0.348 3.611 3.960 -0.000 0.000 0.232 17 G HA3 -0.348 3.611 3.960 -0.000 0.000 0.232 17 G C 0.918 175.809 174.900 -0.015 0.000 0.986 17 G CA 0.171 45.269 45.100 -0.004 0.000 0.643 17 G HN 0.700 nan 8.290 nan 0.000 0.522 18 A N 0.445 123.290 122.820 0.042 0.000 1.978 18 A HA 0.150 4.469 4.320 -0.000 0.000 0.220 18 A C 2.772 180.363 177.584 0.011 0.000 1.170 18 A CA 3.233 55.322 52.037 0.086 0.000 0.636 18 A CB -0.697 18.415 19.000 0.187 0.000 0.810 18 A HN 1.750 nan 8.150 nan 0.000 0.448 19 V N -2.140 117.737 119.914 -0.062 0.000 2.913 19 V HA -0.001 4.119 4.120 -0.000 0.000 0.260 19 V C 2.101 178.001 176.094 -0.324 0.000 1.098 19 V CA 1.608 63.761 62.300 -0.246 0.000 1.121 19 V CB -1.639 30.057 31.823 -0.212 0.000 0.714 19 V HN 0.398 nan 8.190 nan 0.000 0.487 20 G N -0.038 108.622 108.800 -0.233 0.000 2.559 20 G HA2 0.021 3.981 3.960 -0.000 0.000 0.216 20 G HA3 0.021 3.981 3.960 -0.000 0.000 0.216 20 G C 1.463 176.169 174.900 -0.324 0.000 1.126 20 G CA 0.759 45.716 45.100 -0.238 0.000 0.778 20 G HN 0.870 nan 8.290 nan 0.000 0.543 21 A N -0.021 122.526 122.820 -0.456 0.000 2.178 21 A HA 0.376 4.695 4.320 -0.000 0.000 0.211 21 A C 2.101 179.492 177.584 -0.322 0.000 1.157 21 A CA 0.562 52.235 52.037 -0.608 0.000 0.780 21 A CB -0.120 17.975 19.000 -1.508 0.000 0.828 21 A HN 0.371 nan 8.150 nan 0.000 0.476 22 L N 0.506 121.434 121.223 -0.491 0.000 1.989 22 L HA -0.217 4.123 4.340 -0.000 0.000 0.211 22 L C 2.893 179.657 176.870 -0.176 0.000 1.071 22 L CA 2.704 57.218 54.840 -0.544 0.000 0.749 22 L CB -0.594 40.960 42.059 -0.842 0.000 0.890 22 L HN 0.568 nan 8.230 nan 0.000 0.431 23 T N -3.825 110.632 114.554 -0.161 0.000 2.759 23 T HA -0.266 4.084 4.350 -0.000 0.000 0.269 23 T C 1.591 176.267 174.700 -0.040 0.000 1.042 23 T CA 1.564 63.624 62.100 -0.067 0.000 1.140 23 T CB -0.724 68.107 68.868 -0.061 0.000 0.864 23 T HN 0.506 nan 8.240 nan 0.000 0.455 24 D N 1.070 121.435 120.400 -0.058 0.000 2.117 24 D HA -0.108 4.532 4.640 -0.000 0.000 0.198 24 D C 2.339 178.645 176.300 0.010 0.000 0.982 24 D CA 0.883 54.867 54.000 -0.027 0.000 0.828 24 D CB -0.128 40.648 40.800 -0.040 0.000 0.967 24 D HN 0.311 nan 8.370 nan 0.000 0.464 25 E N -0.026 120.211 120.200 0.061 0.000 2.110 25 E HA -0.107 4.242 4.350 -0.000 0.000 0.193 25 E C 2.409 179.013 176.600 0.006 0.000 0.988 25 E CA 0.468 56.939 56.400 0.118 0.000 0.804 25 E CB -0.312 29.578 29.700 0.318 0.000 0.745 25 E HN 0.263 nan 8.360 nan 0.000 0.458 26 V N 1.670 121.585 119.914 0.000 0.000 2.307 26 V HA -0.245 3.874 4.120 -0.000 0.000 0.245 26 V C 2.275 178.264 176.094 -0.175 0.000 1.045 26 V CA 1.767 64.007 62.300 -0.100 0.000 1.024 26 V CB -0.378 31.453 31.823 0.014 0.000 0.651 26 V HN 0.218 nan 8.190 nan 0.000 0.449 27 K N -0.112 120.239 120.400 -0.083 0.000 2.057 27 K HA -0.146 4.174 4.320 -0.000 0.000 0.207 27 K C 2.330 178.866 176.600 -0.108 0.000 1.049 27 K CA 1.337 57.578 56.287 -0.075 0.000 0.931 27 K CB -0.264 32.216 32.500 -0.033 0.000 0.714 27 K HN 0.380 nan 8.250 nan 0.000 0.440 28 R N 0.612 121.053 120.500 -0.099 0.000 2.152 28 R HA -0.068 4.272 4.340 -0.000 0.000 0.232 28 R C 1.944 178.140 176.300 -0.173 0.000 1.117 28 R CA 1.096 57.140 56.100 -0.094 0.000 0.981 28 R CB -0.043 30.233 30.300 -0.041 0.000 0.870 28 R HN 0.151 nan 8.270 nan 0.000 0.451 29 R N -0.784 119.519 120.500 -0.328 0.000 2.312 29 R HA 0.114 4.454 4.340 -0.000 0.000 0.205 29 R C 0.949 176.904 176.300 -0.575 0.000 0.904 29 R CA 0.508 56.276 56.100 -0.553 0.000 1.052 29 R CB 0.703 30.400 30.300 -1.005 0.000 1.014 29 R HN 0.311 nan 8.270 nan 0.000 0.503 30 G N 0.818 109.397 108.800 -0.368 0.000 2.153 30 G HA2 -0.300 3.659 3.960 -0.000 0.000 0.252 30 G HA3 -0.300 3.659 3.960 -0.000 0.000 0.252 30 G C -0.279 174.570 174.900 -0.085 0.000 0.994 30 G CA 0.040 45.030 45.100 -0.183 0.000 0.698 30 G HN 0.197 nan 8.290 nan 0.000 0.521 31 Y N 0.004 120.229 120.300 -0.124 0.000 2.480 31 Y HA 0.347 4.896 4.550 -0.001 0.000 0.338 31 Y C 1.649 177.561 175.900 0.019 0.000 1.220 31 Y CA -0.325 57.701 58.100 -0.124 0.000 1.430 31 Y CB 0.584 38.693 38.460 -0.586 0.000 1.311 31 Y HN 0.138 nan 8.280 nan 0.000 0.575 32 Q N 1.177 121.155 119.800 0.297 0.000 2.394 32 Q HA 0.118 4.457 4.340 -0.000 0.000 0.218 32 Q C -0.009 176.145 176.000 0.256 0.000 0.907 32 Q CA 0.559 56.493 55.803 0.218 0.000 0.919 32 Q CB 0.766 29.588 28.738 0.140 0.000 1.051 32 Q HN 0.656 nan 8.270 nan 0.000 0.538 33 K N -0.278 120.330 120.400 0.346 0.000 2.561 33 K HA 0.566 4.886 4.320 -0.000 0.000 0.254 33 K C -1.821 174.844 176.600 0.109 0.000 0.942 33 K CA -0.226 56.204 56.287 0.238 0.000 0.818 33 K CB 1.834 34.385 32.500 0.085 0.000 1.306 33 K HN 0.003 nan 8.250 nan 0.000 0.435 34 A N 3.112 125.874 122.820 -0.097 0.000 2.306 34 A HA 0.686 5.006 4.320 -0.000 0.000 0.330 34 A C -1.378 176.110 177.584 -0.160 0.000 1.146 34 A CA -0.718 50.954 52.037 -0.608 0.000 0.827 34 A CB 0.994 19.507 19.000 -0.812 0.000 1.178 34 A HN 0.583 nan 8.150 nan 0.000 0.490 35 L N 2.423 123.570 121.223 -0.127 0.000 2.319 35 L HA 0.571 4.911 4.340 -0.000 0.000 0.281 35 L C -0.920 175.964 176.870 0.023 0.000 1.005 35 L CA -0.163 54.716 54.840 0.065 0.000 0.828 35 L CB 0.787 42.993 42.059 0.245 0.000 1.227 35 L HN 0.585 nan 8.230 nan 0.000 0.415 36 I N 5.809 126.420 120.570 0.068 0.000 2.352 36 I HA 0.250 4.420 4.170 -0.000 0.000 0.290 36 I C -0.464 175.698 176.117 0.075 0.000 1.036 36 I CA -0.518 60.797 61.300 0.025 0.000 1.336 36 I CB 1.319 39.312 38.000 -0.012 0.000 1.407 36 I HN 0.293 nan 8.210 nan 0.000 0.497 37 V N 6.264 126.210 119.914 0.055 0.000 2.350 37 V HA 0.494 4.614 4.120 -0.000 0.000 0.276 37 V C 0.152 176.269 176.094 0.037 0.000 1.028 37 V CA -0.014 62.348 62.300 0.104 0.000 0.860 37 V CB 1.249 33.124 31.823 0.087 0.000 0.990 37 V HN 0.895 nan 8.190 nan 0.000 0.453 38 T N 3.081 117.635 114.554 -0.000 0.000 2.630 38 T HA 0.497 4.846 4.350 -0.000 0.000 0.300 38 T C -1.993 172.652 174.700 -0.092 0.000 1.261 38 T CA -0.237 61.839 62.100 -0.039 0.000 1.060 38 T CB 1.876 70.716 68.868 -0.046 0.000 1.670 38 T HN 0.836 nan 8.240 nan 0.000 0.473 39 D N -0.504 119.849 120.400 -0.080 0.000 2.533 39 D HA 0.486 5.125 4.640 -0.000 0.000 0.247 39 D C 0.597 176.848 176.300 -0.082 0.000 1.056 39 D CA -0.757 53.185 54.000 -0.096 0.000 1.054 39 D CB 1.013 41.777 40.800 -0.059 0.000 1.400 39 D HN 0.505 nan 8.370 nan 0.000 0.533 40 K N -0.753 119.600 120.400 -0.079 0.000 2.147 40 K HA -0.070 4.250 4.320 -0.000 0.000 0.205 40 K C 1.555 178.133 176.600 -0.038 0.000 1.049 40 K CA 1.412 57.665 56.287 -0.057 0.000 0.936 40 K CB -0.283 32.186 32.500 -0.051 0.000 0.722 40 K HN 0.453 nan 8.250 nan 0.000 0.446 41 T N 1.922 116.457 114.554 -0.032 0.000 2.777 41 T HA -0.058 4.292 4.350 -0.000 0.000 0.266 41 T C 1.831 176.516 174.700 -0.024 0.000 1.040 41 T CA 0.934 63.021 62.100 -0.022 0.000 1.141 41 T CB -0.128 68.731 68.868 -0.014 0.000 0.868 41 T HN 0.108 nan 8.240 nan 0.000 0.444 42 L N 0.777 121.983 121.223 -0.029 0.000 2.201 42 L HA -0.049 4.290 4.340 -0.000 0.000 0.212 42 L C 2.536 179.382 176.870 -0.041 0.000 1.105 42 L CA 0.597 55.417 54.840 -0.033 0.000 0.775 42 L CB -0.536 41.502 42.059 -0.035 0.000 0.913 42 L HN 0.153 nan 8.230 nan 0.000 0.440 43 V N -0.725 119.164 119.914 -0.041 0.000 2.323 43 V HA -0.255 3.865 4.120 -0.000 0.000 0.244 43 V C 2.402 178.479 176.094 -0.028 0.000 1.041 43 V CA 1.575 63.852 62.300 -0.039 0.000 1.025 43 V CB -0.317 31.487 31.823 -0.032 0.000 0.656 43 V HN 0.393 nan 8.190 nan 0.000 0.451 44 Q N -0.068 119.719 119.800 -0.023 0.000 2.050 44 Q HA -0.205 4.134 4.340 -0.000 0.000 0.202 44 Q C 2.054 178.044 176.000 -0.016 0.000 0.980 44 Q CA 2.479 58.273 55.803 -0.016 0.000 0.840 44 Q CB -0.771 27.958 28.738 -0.014 0.000 0.898 44 Q HN 0.649 nan 8.270 nan 0.000 0.424 45 C N -0.648 118.640 119.300 -0.019 0.000 2.511 45 C HA 0.297 4.757 4.460 -0.000 0.000 0.277 45 C C 1.641 176.617 174.990 -0.023 0.000 1.451 45 C CA 0.624 59.631 59.018 -0.018 0.000 1.735 45 C CB -1.424 26.307 27.740 -0.016 0.000 1.704 45 C HN 0.806 nan 8.230 nan 0.000 0.571 46 G N 0.027 108.810 108.800 -0.029 0.000 2.159 46 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.256 46 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.256 46 G C 0.690 175.560 174.900 -0.051 0.000 0.977 46 G CA 0.557 45.635 45.100 -0.037 0.000 0.652 46 G HN 0.324 nan 8.290 nan 0.000 0.531 47 V N 0.292 120.177 119.914 -0.050 0.000 2.307 47 V HA -0.198 3.921 4.120 -0.000 0.000 0.245 47 V C 2.881 178.922 176.094 -0.088 0.000 1.045 47 V CA 2.232 64.498 62.300 -0.058 0.000 1.024 47 V CB -0.623 31.175 31.823 -0.043 0.000 0.651 47 V HN 0.359 nan 8.190 nan 0.000 0.449 48 V N 0.489 120.343 119.914 -0.099 0.000 2.407 48 V HA -0.253 3.867 4.120 -0.000 0.000 0.248 48 V C 2.715 178.687 176.094 -0.204 0.000 1.055 48 V CA 1.926 64.136 62.300 -0.150 0.000 1.049 48 V CB -1.187 30.552 31.823 -0.140 0.000 0.662 48 V HN 0.559 nan 8.190 nan 0.000 0.455 49 A N -0.283 122.445 122.820 -0.154 0.000 1.972 49 A HA -0.239 4.080 4.320 -0.000 0.000 0.219 49 A C 2.265 179.759 177.584 -0.149 0.000 1.169 49 A CA 1.823 53.769 52.037 -0.151 0.000 0.635 49 A CB -0.446 18.506 19.000 -0.081 0.000 0.810 49 A HN 0.560 nan 8.150 nan 0.000 0.446 50 K N -0.554 119.770 120.400 -0.127 0.000 2.152 50 K HA -0.093 4.227 4.320 -0.000 0.000 0.206 50 K C 1.740 178.247 176.600 -0.155 0.000 1.048 50 K CA 1.499 57.717 56.287 -0.116 0.000 0.933 50 K CB -0.233 32.210 32.500 -0.095 0.000 0.721 50 K HN 0.383 nan 8.250 nan 0.000 0.447 51 V N 0.745 120.536 119.914 -0.205 0.000 2.374 51 V HA -0.171 3.949 4.120 -0.000 0.000 0.241 51 V C 2.492 178.391 176.094 -0.325 0.000 1.034 51 V CA 2.046 64.194 62.300 -0.254 0.000 1.037 51 V CB -0.444 31.219 31.823 -0.267 0.000 0.682 51 V HN 0.480 nan 8.190 nan 0.000 0.463 52 T N -1.970 112.302 114.554 -0.470 0.000 2.833 52 T HA -0.231 4.119 4.350 -0.000 0.000 0.269 52 T C 1.478 176.015 174.700 -0.272 0.000 1.054 52 T CA 1.700 63.384 62.100 -0.694 0.000 1.135 52 T CB -0.458 67.680 68.868 -1.217 0.000 0.869 52 T HN 0.367 nan 8.240 nan 0.000 0.466 53 D N 1.480 121.780 120.400 -0.167 0.000 2.117 53 D HA 0.058 4.698 4.640 -0.000 0.000 0.197 53 D C 1.270 177.542 176.300 -0.047 0.000 0.987 53 D CA 0.930 54.896 54.000 -0.057 0.000 0.829 53 D CB -0.106 40.661 40.800 -0.055 0.000 0.961 53 D HN 0.559 nan 8.370 nan 0.000 0.460 57 A N 1.239 124.092 122.820 0.056 0.000 1.972 57 A HA 0.169 4.488 4.320 -0.000 0.000 0.219 57 A C 2.002 179.601 177.584 0.026 0.000 1.169 57 A CA 2.385 54.440 52.037 0.029 0.000 0.635 57 A CB -0.383 18.620 19.000 0.006 0.000 0.810 57 A HN 0.263 nan 8.150 nan 0.000 0.446 58 A N -1.907 120.931 122.820 0.031 0.000 2.251 58 A HA 0.430 4.750 4.320 -0.000 0.000 0.209 58 A C 1.701 179.313 177.584 0.046 0.000 1.187 58 A CA 1.091 53.144 52.037 0.027 0.000 0.823 58 A CB -0.833 18.175 19.000 0.014 0.000 0.846 58 A HN 1.859 nan 8.150 nan 0.000 0.486 59 G N -0.767 108.072 108.800 0.065 0.000 2.160 59 G HA2 -0.210 3.749 3.960 -0.000 0.000 0.251 59 G HA3 -0.210 3.749 3.960 -0.000 0.000 0.251 59 G C -0.050 174.906 174.900 0.092 0.000 1.008 59 G CA 0.371 45.511 45.100 0.068 0.000 0.724 59 G HN 0.465 nan 8.290 nan 0.000 0.514 60 L N 0.463 121.769 121.223 0.139 0.000 2.289 60 L HA 0.703 5.042 4.340 -0.000 0.000 0.285 60 L C 1.007 178.034 176.870 0.261 0.000 1.049 60 L CA -0.452 54.501 54.840 0.189 0.000 0.804 60 L CB 1.544 43.726 42.059 0.206 0.000 1.195 60 L HN 0.300 nan 8.230 nan 0.000 0.428 61 A N 5.034 127.968 122.820 0.191 0.000 2.371 61 A HA 0.599 4.919 4.320 -0.000 0.000 0.257 61 A C -0.761 176.949 177.584 0.210 0.000 1.089 61 A CA -0.266 51.826 52.037 0.092 0.000 0.794 61 A CB 0.429 19.443 19.000 0.024 0.000 1.029 61 A HN 0.831 nan 8.150 nan 0.000 0.488 62 W N -1.405 119.901 121.300 0.009 0.000 3.146 62 W HA 0.686 5.346 4.660 -0.000 0.000 0.319 62 W C -0.909 175.597 176.519 -0.022 0.000 1.258 62 W CA -0.569 56.763 57.345 -0.021 0.000 1.189 62 W CB 1.062 30.508 29.460 -0.024 0.000 1.412 62 W HN 1.180 nan 8.180 nan 0.000 0.567 63 A N 1.989 124.965 122.820 0.260 0.000 2.515 63 A HA 0.907 5.227 4.320 -0.000 0.000 0.296 63 A C -1.724 176.053 177.584 0.322 0.000 1.094 63 A CA -0.971 51.163 52.037 0.163 0.000 0.718 63 A CB 2.057 21.081 19.000 0.041 0.000 1.307 63 A HN 0.601 nan 8.150 nan 0.000 0.408 64 I N 0.577 121.317 120.570 0.284 0.000 2.608 64 I HA 0.378 4.548 4.170 -0.000 0.000 0.295 64 I C -1.537 174.710 176.117 0.216 0.000 1.049 64 I CA -0.592 60.853 61.300 0.242 0.000 1.063 64 I CB 2.233 40.374 38.000 0.235 0.000 1.248 64 I HN 0.727 nan 8.210 nan 0.000 0.424 65 Y N 5.368 125.708 120.300 0.067 0.000 2.332 65 Y HA 0.331 4.881 4.550 -0.001 0.000 0.326 65 Y C -0.527 175.393 175.900 0.032 0.000 0.978 65 Y CA -1.443 56.686 58.100 0.047 0.000 1.205 65 Y CB 0.842 39.329 38.460 0.045 0.000 1.131 65 Y HN 0.609 nan 8.280 nan 0.000 0.462 66 D N 1.812 121.920 120.400 -0.488 0.000 2.593 66 D HA 0.210 4.850 4.640 -0.000 0.000 0.241 66 D C 1.222 177.195 176.300 -0.545 0.000 1.257 66 D CA -0.007 53.743 54.000 -0.416 0.000 0.828 66 D CB 0.267 40.958 40.800 -0.181 0.000 1.049 66 D HN 0.687 nan 8.370 nan 0.000 0.490 67 G N -0.046 108.087 108.800 -1.112 0.000 3.088 67 G HA2 0.167 4.127 3.960 -0.000 0.000 0.212 67 G HA3 0.167 4.127 3.960 -0.000 0.000 0.212 67 G C 0.391 175.122 174.900 -0.282 0.000 1.173 67 G CA -0.262 44.477 45.100 -0.602 0.000 0.779 67 G HN 0.220 nan 8.290 nan 0.000 0.540 68 V N 1.215 120.973 119.914 -0.261 0.000 2.655 68 V HA 0.307 4.426 4.120 -0.000 0.000 0.300 68 V C 0.635 176.709 176.094 -0.035 0.000 1.044 68 V CA -0.407 61.865 62.300 -0.046 0.000 1.095 68 V CB 1.122 32.935 31.823 -0.016 0.000 0.952 68 V HN 0.231 nan 8.190 nan 0.000 0.485 69 V N 3.147 123.063 119.914 0.003 0.000 2.864 69 V HA 0.695 4.814 4.120 -0.000 0.000 0.314 69 V C -2.744 173.359 176.094 0.014 0.000 1.073 69 V CA -3.055 59.248 62.300 0.006 0.000 0.956 69 V CB 1.642 33.475 31.823 0.016 0.000 1.023 69 V HN 0.671 nan 8.190 nan 0.000 0.435 70 P HA 0.182 nan 4.420 nan 0.000 0.264 70 P C -0.401 176.914 177.300 0.026 0.000 1.183 70 P CA 0.746 63.862 63.100 0.026 0.000 0.763 70 P CB -0.222 31.499 31.700 0.035 0.000 0.807 71 N N 0.248 118.958 118.700 0.017 0.000 2.681 71 N HA -0.127 4.613 4.740 -0.000 0.000 0.259 71 N C -2.300 173.204 175.510 -0.010 0.000 1.066 71 N CA -0.255 52.794 53.050 -0.001 0.000 0.717 71 N CB -1.189 37.312 38.487 0.024 0.000 0.885 71 N HN 0.431 nan 8.380 nan 0.000 0.547 72 P HA -0.090 nan 4.420 nan 0.000 0.261 72 P C 0.266 177.558 177.300 -0.015 0.000 1.173 72 P CA 0.584 63.683 63.100 -0.002 0.000 0.760 72 P CB 0.609 32.309 31.700 0.001 0.000 0.783 73 T N -0.203 114.364 114.554 0.021 0.000 2.912 73 T HA 0.380 4.730 4.350 -0.000 0.000 0.280 73 T C 1.600 176.340 174.700 0.066 0.000 0.989 73 T CA -0.898 61.225 62.100 0.038 0.000 0.995 73 T CB 0.643 69.541 68.868 0.050 0.000 1.077 73 T HN 0.229 nan 8.240 nan 0.000 0.531 74 I N 0.421 121.056 120.570 0.109 0.000 2.361 74 I HA -0.169 4.001 4.170 -0.000 0.000 0.251 74 I C 2.686 178.861 176.117 0.096 0.000 1.133 74 I CA 1.190 62.573 61.300 0.140 0.000 1.413 74 I CB -0.662 37.446 38.000 0.181 0.000 1.073 74 I HN 0.768 nan 8.210 nan 0.000 0.424 75 T N 0.476 115.079 114.554 0.080 0.000 2.746 75 T HA -0.122 4.228 4.350 -0.000 0.000 0.267 75 T C 2.021 176.766 174.700 0.075 0.000 1.039 75 T CA 1.241 63.382 62.100 0.068 0.000 1.142 75 T CB -0.253 68.652 68.868 0.062 0.000 0.866 75 T HN 0.118 nan 8.240 nan 0.000 0.444 76 V N 1.211 121.180 119.914 0.091 0.000 2.427 76 V HA -0.126 3.994 4.120 -0.000 0.000 0.248 76 V C 2.631 178.782 176.094 0.095 0.000 1.051 76 V CA 1.154 63.536 62.300 0.138 0.000 1.048 76 V CB -0.628 31.279 31.823 0.142 0.000 0.666 76 V HN 0.311 nan 8.190 nan 0.000 0.456 77 V N -0.207 119.742 119.914 0.060 0.000 2.295 77 V HA -0.266 3.854 4.120 -0.000 0.000 0.246 77 V C 2.424 178.507 176.094 -0.019 0.000 1.049 77 V CA 2.031 64.342 62.300 0.018 0.000 1.024 77 V CB -0.653 31.199 31.823 0.049 0.000 0.648 77 V HN 0.533 nan 8.190 nan 0.000 0.447 78 K N -0.220 120.188 120.400 0.012 0.000 2.057 78 K HA -0.220 4.099 4.320 -0.000 0.000 0.206 78 K C 2.231 178.805 176.600 -0.044 0.000 1.050 78 K CA 1.673 57.961 56.287 0.000 0.000 0.935 78 K CB -0.154 32.362 32.500 0.027 0.000 0.715 78 K HN 0.563 nan 8.250 nan 0.000 0.439 79 E N 0.363 120.536 120.200 -0.046 0.000 2.047 79 E HA -0.148 4.202 4.350 -0.000 0.000 0.191 79 E C 2.105 178.501 176.600 -0.340 0.000 0.987 79 E CA 1.264 57.611 56.400 -0.088 0.000 0.799 79 E CB -0.136 29.589 29.700 0.042 0.000 0.752 79 E HN 0.362 nan 8.360 nan 0.000 0.449 80 G N 1.367 109.821 108.800 -0.578 0.000 2.422 80 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.218 80 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.218 80 G C 1.508 176.169 174.900 -0.398 0.000 1.146 80 G CA 0.844 45.343 45.100 -1.003 0.000 0.769 80 G HN 0.312 nan 8.290 nan 0.000 0.547 81 L N 1.593 122.699 121.223 -0.195 0.000 2.046 81 L HA 0.148 4.487 4.340 -0.000 0.000 0.208 81 L C 2.767 179.640 176.870 0.005 0.000 1.077 81 L CA 2.396 57.209 54.840 -0.046 0.000 0.747 81 L CB -1.039 41.009 42.059 -0.019 0.000 0.896 81 L HN 0.148 nan 8.230 nan 0.000 0.432 82 G N -1.010 107.759 108.800 -0.052 0.000 2.440 82 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.218 82 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.218 82 G C 1.529 176.405 174.900 -0.041 0.000 1.154 82 G CA 1.126 46.206 45.100 -0.033 0.000 0.767 82 G HN 0.343 nan 8.290 nan 0.000 0.552 83 V N 0.398 120.259 119.914 -0.088 0.000 2.343 83 V HA -0.139 3.981 4.120 -0.000 0.000 0.247 83 V C 2.321 178.410 176.094 -0.008 0.000 1.051 83 V CA 1.827 64.095 62.300 -0.054 0.000 1.036 83 V CB -0.633 31.135 31.823 -0.091 0.000 0.654 83 V HN 0.381 nan 8.190 nan 0.000 0.451 84 F N 1.192 121.067 119.950 -0.125 0.000 2.102 84 F HA -0.219 4.308 4.527 -0.000 0.000 0.298 84 F C 2.536 178.299 175.800 -0.062 0.000 1.105 84 F CA 2.002 59.949 58.000 -0.087 0.000 1.239 84 F CB -0.434 38.507 39.000 -0.098 0.000 0.991 84 F HN 0.158 nan 8.300 nan 0.000 0.474 85 Q N -0.202 119.537 119.800 -0.102 0.000 2.170 85 Q HA -0.192 4.147 4.340 -0.000 0.000 0.203 85 Q C 1.441 177.326 176.000 -0.191 0.000 0.976 85 Q CA 1.492 57.188 55.803 -0.178 0.000 0.858 85 Q CB -0.335 28.389 28.738 -0.023 0.000 0.907 85 Q HN 0.432 nan 8.270 nan 0.000 0.433 86 N N -0.286 118.335 118.700 -0.132 0.000 2.412 86 N HA -0.041 4.699 4.740 -0.000 0.000 0.184 86 N C 1.483 176.921 175.510 -0.121 0.000 1.101 86 N CA 0.883 53.871 53.050 -0.104 0.000 0.881 86 N CB 0.303 38.754 38.487 -0.059 0.000 0.969 86 N HN 0.217 nan 8.380 nan 0.000 0.459 87 S N -0.829 114.768 115.700 -0.172 0.000 2.478 87 S HA 0.167 4.637 4.470 -0.000 0.000 0.222 87 S C 1.604 176.096 174.600 -0.179 0.000 1.008 87 S CA 0.752 58.861 58.200 -0.152 0.000 0.928 87 S CB 0.014 63.136 63.200 -0.130 0.000 0.781 87 S HN 0.317 nan 8.310 nan 0.000 0.518 88 G N 1.139 109.786 108.800 -0.256 0.000 2.179 88 G HA2 -0.135 3.824 3.960 -0.000 0.000 0.260 88 G HA3 -0.135 3.824 3.960 -0.000 0.000 0.260 88 G C 0.316 175.088 174.900 -0.212 0.000 0.977 88 G CA 0.099 45.074 45.100 -0.207 0.000 0.641 88 G HN 1.311 nan 8.290 nan 0.000 0.533 89 A N 0.510 123.149 122.820 -0.301 0.000 2.483 89 A HA 0.509 4.829 4.320 -0.000 0.000 0.238 89 A C 1.191 178.697 177.584 -0.130 0.000 1.070 89 A CA 1.058 52.990 52.037 -0.175 0.000 0.770 89 A CB 0.287 19.219 19.000 -0.114 0.000 1.008 89 A HN 0.827 nan 8.150 nan 0.000 0.497 90 D N -1.356 119.108 120.400 0.106 0.000 2.433 90 D HA 0.205 4.845 4.640 -0.000 0.000 0.211 90 D C -0.195 176.241 176.300 0.228 0.000 1.114 90 D CA 0.374 54.480 54.000 0.177 0.000 0.837 90 D CB -0.296 40.602 40.800 0.163 0.000 0.984 90 D HN 0.642 nan 8.370 nan 0.000 0.505 91 Y N -1.719 118.589 120.300 0.013 0.000 2.689 91 Y HA 0.634 5.183 4.550 -0.001 0.000 0.333 91 Y C -2.111 173.799 175.900 0.016 0.000 1.208 91 Y CA -1.619 56.380 58.100 -0.168 0.000 1.055 91 Y CB 0.963 38.999 38.460 -0.706 0.000 1.304 91 Y HN -0.231 nan 8.280 nan 0.000 0.455 92 L N 2.990 124.144 121.223 -0.115 0.000 2.354 92 L HA 0.636 4.976 4.340 -0.000 0.000 0.269 92 L C -0.937 175.885 176.870 -0.080 0.000 1.005 92 L CA -0.886 53.852 54.840 -0.170 0.000 0.819 92 L CB 2.306 44.250 42.059 -0.192 0.000 1.311 92 L HN 0.608 nan 8.230 nan 0.000 0.423 93 I N 2.357 122.870 120.570 -0.094 0.000 2.411 93 I HA 0.451 4.620 4.170 -0.000 0.000 0.284 93 I C -0.122 175.992 176.117 -0.004 0.000 1.012 93 I CA -0.482 60.816 61.300 -0.003 0.000 1.119 93 I CB 1.861 39.841 38.000 -0.032 0.000 1.261 93 I HN 0.624 nan 8.210 nan 0.000 0.448 94 A N 8.274 131.109 122.820 0.025 0.000 2.269 94 A HA 0.700 5.020 4.320 -0.000 0.000 0.302 94 A C -0.348 177.249 177.584 0.023 0.000 1.266 94 A CA -0.221 51.827 52.037 0.017 0.000 0.894 94 A CB 0.020 19.031 19.000 0.018 0.000 1.147 94 A HN 0.703 nan 8.150 nan 0.000 0.537 95 I N 3.192 123.763 120.570 0.001 0.000 2.354 95 I HA 0.630 4.800 4.170 -0.000 0.000 0.286 95 I C 0.721 176.837 176.117 -0.002 0.000 1.007 95 I CA 0.194 61.489 61.300 -0.009 0.000 1.167 95 I CB 1.381 39.352 38.000 -0.049 0.000 1.320 95 I HN 0.924 nan 8.210 nan 0.000 0.458 96 G N 3.864 112.674 108.800 0.016 0.000 2.350 96 G HA2 0.281 4.241 3.960 -0.000 0.000 0.282 96 G HA3 0.281 4.241 3.960 -0.000 0.000 0.282 96 G C -0.511 174.415 174.900 0.042 0.000 1.314 96 G CA -0.289 44.823 45.100 0.020 0.000 0.915 96 G HN 0.745 nan 8.290 nan 0.000 0.499 97 G N -1.065 107.762 108.800 0.044 0.000 2.504 97 G HA2 0.544 4.504 3.960 -0.000 0.000 0.257 97 G HA3 0.544 4.504 3.960 -0.000 0.000 0.257 97 G C 1.533 176.474 174.900 0.067 0.000 1.451 97 G CA 0.649 45.788 45.100 0.065 0.000 1.059 97 G HN 1.781 nan 8.290 nan 0.000 0.550 98 G N -0.599 108.251 108.800 0.083 0.000 2.450 98 G HA2 -0.142 3.818 3.960 -0.000 0.000 0.220 98 G HA3 -0.142 3.818 3.960 -0.000 0.000 0.220 98 G C 2.017 176.942 174.900 0.042 0.000 1.130 98 G CA 1.620 46.766 45.100 0.076 0.000 0.760 98 G HN 0.493 nan 8.290 nan 0.000 0.557 99 S N 1.587 117.306 115.700 0.033 0.000 2.348 99 S HA -0.060 4.409 4.470 -0.000 0.000 0.221 99 S C 0.134 174.744 174.600 0.016 0.000 1.033 99 S CA 1.551 59.761 58.200 0.017 0.000 1.010 99 S CB -0.808 62.403 63.200 0.018 0.000 0.891 99 S HN 0.310 nan 8.310 nan 0.000 0.442 100 P HA -0.033 nan 4.420 nan 0.000 0.217 100 P C 1.392 178.698 177.300 0.009 0.000 1.151 100 P CA 0.997 64.108 63.100 0.018 0.000 0.828 100 P CB -0.052 31.655 31.700 0.012 0.000 0.788 101 Q N -0.541 119.268 119.800 0.015 0.000 2.079 101 Q HA -0.163 4.177 4.340 -0.000 0.000 0.200 101 Q C 1.497 177.480 176.000 -0.029 0.000 0.974 101 Q CA 1.339 57.145 55.803 0.006 0.000 0.840 101 Q CB -0.582 28.178 28.738 0.037 0.000 0.898 101 Q HN 0.288 nan 8.270 nan 0.000 0.430 102 D N -0.185 120.209 120.400 -0.010 0.000 2.149 102 D HA -0.078 4.562 4.640 -0.000 0.000 0.201 102 D C 1.795 178.025 176.300 -0.116 0.000 0.972 102 D CA 1.153 55.139 54.000 -0.023 0.000 0.835 102 D CB -0.183 40.646 40.800 0.048 0.000 0.966 102 D HN 0.131 nan 8.370 nan 0.000 0.476 103 T N -0.270 114.248 114.554 -0.061 0.000 2.746 103 T HA -0.169 4.180 4.350 -0.000 0.000 0.267 103 T C 2.151 176.777 174.700 -0.124 0.000 1.039 103 T CA 0.965 63.030 62.100 -0.057 0.000 1.142 103 T CB -0.604 68.282 68.868 0.031 0.000 0.866 103 T HN 0.263 nan 8.240 nan 0.000 0.444 104 C N 1.517 120.748 119.300 -0.115 0.000 2.429 104 C HA -0.023 4.437 4.460 -0.000 0.000 0.277 104 C C 2.643 177.479 174.990 -0.256 0.000 1.262 104 C CA 0.791 59.717 59.018 -0.153 0.000 1.733 104 C CB -0.925 26.758 27.740 -0.096 0.000 2.010 104 C HN 0.524 nan 8.230 nan 0.000 0.483 105 K N 0.511 120.714 120.400 -0.329 0.000 2.057 105 K HA -0.090 4.230 4.320 -0.000 0.000 0.207 105 K C 2.301 178.488 176.600 -0.689 0.000 1.049 105 K CA 1.573 57.561 56.287 -0.499 0.000 0.931 105 K CB -0.342 31.784 32.500 -0.623 0.000 0.714 105 K HN 0.558 nan 8.250 nan 0.000 0.440 106 A N 1.500 123.857 122.820 -0.771 0.000 1.883 106 A HA -0.178 4.142 4.320 -0.000 0.000 0.217 106 A C 2.129 179.567 177.584 -0.243 0.000 1.186 106 A CA 1.421 53.169 52.037 -0.482 0.000 0.624 106 A CB -0.651 18.232 19.000 -0.196 0.000 0.822 106 A HN 0.185 nan 8.150 nan 0.000 0.444 107 I N -0.375 120.051 120.570 -0.240 0.000 2.179 107 I HA -0.224 3.946 4.170 -0.000 0.000 0.242 107 I C 2.735 178.672 176.117 -0.299 0.000 1.088 107 I CA 1.253 62.414 61.300 -0.232 0.000 1.357 107 I CB -0.733 37.105 38.000 -0.270 0.000 1.051 107 I HN 0.409 nan 8.210 nan 0.000 0.409 108 G N 0.901 109.492 108.800 -0.349 0.000 2.442 108 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.219 108 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.219 108 G C 1.707 176.492 174.900 -0.192 0.000 1.141 108 G CA 0.624 45.524 45.100 -0.333 0.000 0.763 108 G HN 0.312 nan 8.290 nan 0.000 0.554 109 I N 0.314 120.790 120.570 -0.157 0.000 2.233 109 I HA -0.055 4.114 4.170 -0.000 0.000 0.243 109 I C 2.633 178.752 176.117 0.004 0.000 1.093 109 I CA 0.696 61.959 61.300 -0.062 0.000 1.380 109 I CB -0.145 37.834 38.000 -0.036 0.000 1.067 109 I HN 0.133 nan 8.210 nan 0.000 0.413 110 I N -0.122 120.455 120.570 0.012 0.000 2.286 110 I HA -0.306 3.864 4.170 -0.000 0.000 0.248 110 I C 2.735 178.895 176.117 0.070 0.000 1.115 110 I CA 1.171 62.524 61.300 0.088 0.000 1.392 110 I CB -0.382 37.667 38.000 0.081 0.000 1.065 110 I HN 0.189 nan 8.210 nan 0.000 0.418 111 S N 1.040 116.751 115.700 0.019 0.000 2.383 111 S HA -0.169 4.300 4.470 -0.000 0.000 0.229 111 S C 1.647 176.292 174.600 0.075 0.000 1.030 111 S CA 1.719 59.959 58.200 0.067 0.000 1.002 111 S CB -0.202 63.035 63.200 0.062 0.000 0.829 111 S HN 0.429 nan 8.310 nan 0.000 0.467 112 N N 1.485 120.212 118.700 0.044 0.000 2.236 112 N HA 0.197 4.937 4.740 -0.000 0.000 0.196 112 N C -0.613 174.936 175.510 0.064 0.000 1.114 112 N CA 0.138 53.213 53.050 0.041 0.000 0.859 112 N CB 0.287 38.774 38.487 0.001 0.000 0.982 112 N HN 0.382 nan 8.380 nan 0.000 0.493 113 N N 0.574 119.342 118.700 0.114 0.000 2.711 113 N HA 0.131 4.871 4.740 -0.000 0.000 0.263 113 N C -2.174 173.468 175.510 0.220 0.000 1.667 113 N CA -0.759 52.417 53.050 0.210 0.000 0.785 113 N CB 2.072 40.769 38.487 0.350 0.000 1.231 113 N HN 0.048 nan 8.380 nan 0.000 0.503 114 P HA -0.190 nan 4.420 nan 0.000 0.222 114 P C 1.062 178.367 177.300 0.008 0.000 1.142 114 P CA 1.279 64.418 63.100 0.066 0.000 0.788 114 P CB 0.365 32.086 31.700 0.036 0.000 0.767 115 E N -0.298 119.847 120.200 -0.091 0.000 2.409 115 E HA -0.125 4.225 4.350 -0.000 0.000 0.198 115 E C 0.561 176.926 176.600 -0.392 0.000 1.024 115 E CA 0.652 56.881 56.400 -0.284 0.000 0.861 115 E CB -0.831 28.601 29.700 -0.447 0.000 0.788 115 E HN 0.299 nan 8.360 nan 0.000 0.521 116 F N 0.859 120.828 119.950 0.033 0.000 2.730 116 F HA 0.442 4.969 4.527 -0.001 0.000 0.295 116 F C 1.892 177.718 175.800 0.044 0.000 1.143 116 F CA -0.139 57.886 58.000 0.041 0.000 1.367 116 F CB 0.392 39.431 39.000 0.065 0.000 0.970 116 F HN 0.029 nan 8.300 nan 0.000 0.514 117 A N 0.300 123.198 122.820 0.130 0.000 2.125 117 A HA -0.199 4.121 4.320 -0.000 0.000 0.219 117 A C 2.136 179.775 177.584 0.091 0.000 1.156 117 A CA 1.868 53.964 52.037 0.097 0.000 0.671 117 A CB -0.592 18.438 19.000 0.050 0.000 0.794 117 A HN 0.523 nan 8.150 nan 0.000 0.459 118 D N -0.965 119.487 120.400 0.086 0.000 2.347 118 D HA 0.013 4.653 4.640 -0.000 0.000 0.215 118 D C 1.141 177.500 176.300 0.099 0.000 0.976 118 D CA 1.089 55.130 54.000 0.067 0.000 0.884 118 D CB -0.180 40.639 40.800 0.032 0.000 0.915 118 D HN 0.334 nan 8.370 nan 0.000 0.526 119 V N 1.085 121.095 119.914 0.160 0.000 0.489 119 V HA -0.489 3.631 4.120 -0.000 0.000 0.092 119 V C 2.390 178.587 176.094 0.172 0.000 2.367 119 V CA 2.793 65.230 62.300 0.228 0.000 3.630 119 V CB -1.824 30.159 31.823 0.266 0.000 0.914 119 V HN 0.504 nan 8.190 nan 0.000 0.957 120 R N 2.313 122.779 120.500 -0.057 0.000 2.200 120 R HA -0.104 4.236 4.340 -0.000 0.000 0.234 120 R C 1.872 177.943 176.300 -0.382 0.000 1.127 120 R CA 1.907 57.653 56.100 -0.589 0.000 0.989 120 R CB -0.789 29.222 30.300 -0.483 0.000 0.869 120 R HN 0.903 nan 8.270 nan 0.000 0.459 121 S N 0.616 116.280 115.700 -0.059 0.000 2.603 121 S HA 0.047 4.517 4.470 -0.000 0.000 0.229 121 S C 1.655 176.343 174.600 0.147 0.000 0.972 121 S CA 0.345 58.589 58.200 0.072 0.000 0.935 121 S CB -0.150 63.164 63.200 0.190 0.000 0.769 121 S HN 0.356 nan 8.310 nan 0.000 0.536 122 L N 0.927 122.193 121.223 0.072 0.000 2.558 122 L HA 0.266 4.605 4.340 -0.000 0.000 0.225 122 L C 1.239 178.095 176.870 -0.024 0.000 1.128 122 L CA 0.034 54.857 54.840 -0.028 0.000 0.868 122 L CB -0.280 41.803 42.059 0.041 0.000 1.006 122 L HN 0.422 nan 8.230 nan 0.000 0.454 123 E N 0.657 120.857 120.200 -0.001 0.000 2.481 123 E HA 0.246 4.596 4.350 -0.000 0.000 0.263 123 E C 0.883 177.480 176.600 -0.004 0.000 0.992 123 E CA 0.740 57.171 56.400 0.053 0.000 0.938 123 E CB 0.412 30.096 29.700 -0.026 0.000 0.933 123 E HN 0.229 nan 8.360 nan 0.000 0.453 124 G N 2.857 111.654 108.800 -0.005 0.000 2.553 124 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.242 124 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.242 124 G C -0.285 174.586 174.900 -0.049 0.000 1.277 124 G CA -0.179 44.911 45.100 -0.016 0.000 0.910 124 G HN 0.623 nan 8.290 nan 0.000 0.576 125 L N 1.816 123.018 121.223 -0.035 0.000 2.415 125 L HA 0.298 4.638 4.340 -0.000 0.000 0.269 125 L C 0.924 177.761 176.870 -0.055 0.000 1.244 125 L CA -0.206 54.606 54.840 -0.047 0.000 1.113 125 L CB -0.075 41.967 42.059 -0.030 0.000 1.352 125 L HN 0.489 nan 8.230 nan 0.000 0.433 126 S N 4.321 119.960 115.700 -0.101 0.000 2.737 126 S HA 0.011 4.480 4.470 -0.000 0.000 0.315 126 S C -1.588 172.949 174.600 -0.105 0.000 1.236 126 S CA -0.646 57.454 58.200 -0.167 0.000 1.093 126 S CB 0.020 63.060 63.200 -0.265 0.000 0.832 126 S HN 0.431 nan 8.310 nan 0.000 0.507 127 P HA 0.084 nan 4.420 nan 0.000 0.220 127 P C 0.038 177.483 177.300 0.243 0.000 1.778 127 P CA -0.331 62.847 63.100 0.131 0.000 0.912 127 P CB -0.890 30.928 31.700 0.196 0.000 1.861 128 T N -2.278 112.349 114.554 0.121 0.000 2.910 128 T HA 0.237 4.587 4.350 -0.000 0.000 0.293 128 T C 1.005 175.916 174.700 0.351 0.000 1.015 128 T CA -0.466 61.791 62.100 0.262 0.000 1.094 128 T CB 1.079 70.056 68.868 0.181 0.000 0.968 128 T HN 0.104 nan 8.240 nan 0.000 0.521 129 N N 0.411 119.281 118.700 0.283 0.000 2.415 129 N HA 0.071 4.810 4.740 -0.000 0.000 0.174 129 N C 0.040 175.585 175.510 0.060 0.000 1.048 129 N CA 0.044 53.226 53.050 0.220 0.000 0.895 129 N CB 0.322 38.892 38.487 0.140 0.000 1.036 129 N HN 0.337 nan 8.380 nan 0.000 0.449 130 K N 1.281 121.597 120.400 -0.140 0.000 2.259 130 K HA 0.454 4.773 4.320 -0.000 0.000 0.249 130 K C -2.675 173.496 176.600 -0.716 0.000 0.942 130 K CA -2.091 53.986 56.287 -0.351 0.000 0.816 130 K CB 1.771 34.199 32.500 -0.120 0.000 1.155 130 K HN -0.219 nan 8.250 nan 0.000 0.428 131 P HA 0.008 nan 4.420 nan 0.000 0.270 131 P C -0.032 177.168 177.300 -0.166 0.000 1.223 131 P CA -0.065 62.800 63.100 -0.391 0.000 0.785 131 P CB 0.591 32.210 31.700 -0.135 0.000 0.923 132 S N 1.273 116.932 115.700 -0.068 0.000 2.589 132 S HA 0.103 4.573 4.470 -0.000 0.000 0.265 132 S C 0.169 174.731 174.600 -0.063 0.000 1.342 132 S CA -0.640 57.521 58.200 -0.065 0.000 1.005 132 S CB 0.051 63.213 63.200 -0.063 0.000 0.909 132 S HN 0.162 nan 8.310 nan 0.000 0.555 133 V N 4.888 124.744 119.914 -0.097 0.000 2.788 133 V HA 0.165 4.285 4.120 -0.000 0.000 0.307 133 V C -1.945 174.106 176.094 -0.073 0.000 1.069 133 V CA -1.089 61.164 62.300 -0.079 0.000 1.173 133 V CB 0.146 31.860 31.823 -0.183 0.000 0.925 133 V HN 0.798 nan 8.190 nan 0.000 0.492 134 P HA 0.112 nan 4.420 nan 0.000 0.262 134 P C -0.609 176.694 177.300 0.005 0.000 1.182 134 P CA 0.604 63.698 63.100 -0.010 0.000 0.761 134 P CB 0.215 31.874 31.700 -0.069 0.000 0.795 135 I N 3.942 124.540 120.570 0.048 0.000 2.433 135 I HA 0.293 4.463 4.170 -0.000 0.000 0.292 135 I C -0.477 175.731 176.117 0.152 0.000 1.001 135 I CA -0.895 60.444 61.300 0.065 0.000 1.119 135 I CB 1.631 39.633 38.000 0.004 0.000 1.289 135 I HN 0.030 nan 8.210 nan 0.000 0.438 136 L N 6.019 127.377 121.223 0.226 0.000 2.298 136 L HA 0.612 4.951 4.340 -0.000 0.000 0.284 136 L C 0.118 177.151 176.870 0.272 0.000 1.013 136 L CA -0.167 54.874 54.840 0.335 0.000 0.824 136 L CB 1.473 43.831 42.059 0.499 0.000 1.221 136 L HN 0.656 nan 8.230 nan 0.000 0.418 137 A N 5.525 128.491 122.820 0.243 0.000 2.292 137 A HA 0.835 5.155 4.320 -0.000 0.000 0.319 137 A C -0.354 177.381 177.584 0.252 0.000 1.206 137 A CA -0.314 51.835 52.037 0.186 0.000 0.835 137 A CB 0.330 19.398 19.000 0.115 0.000 1.164 137 A HN 0.633 nan 8.150 nan 0.000 0.505 138 I N 4.741 125.416 120.570 0.175 0.000 2.537 138 I HA 0.260 4.430 4.170 -0.000 0.000 0.276 138 I C -2.360 173.813 176.117 0.093 0.000 1.063 138 I CA -1.899 59.491 61.300 0.150 0.000 1.144 138 I CB 1.919 39.962 38.000 0.071 0.000 1.252 138 I HN 0.461 nan 8.210 nan 0.000 0.480 139 P HA 0.091 nan 4.420 nan 0.000 0.271 139 P C 0.492 177.834 177.300 0.071 0.000 1.218 139 P CA 0.068 63.224 63.100 0.093 0.000 0.780 139 P CB 1.207 32.982 31.700 0.124 0.000 0.901 140 T N -2.819 111.771 114.554 0.060 0.000 3.043 140 T HA 0.167 4.517 4.350 -0.000 0.000 0.272 140 T C 0.549 175.280 174.700 0.052 0.000 0.990 140 T CA -0.054 62.073 62.100 0.044 0.000 0.897 140 T CB -0.488 68.394 68.868 0.024 0.000 1.111 140 T HN 0.554 nan 8.240 nan 0.000 0.529 141 T N -0.639 113.958 114.554 0.071 0.000 2.916 141 T HA 0.775 5.125 4.350 -0.000 0.000 0.292 141 T C -0.450 174.308 174.700 0.096 0.000 1.055 141 T CA -0.722 61.423 62.100 0.075 0.000 1.009 141 T CB 1.950 70.865 68.868 0.078 0.000 1.118 141 T HN 0.256 nan 8.240 nan 0.000 0.497 142 A N 0.573 123.446 122.820 0.089 0.000 3.079 142 A HA 0.756 5.076 4.320 -0.000 0.000 0.315 142 A C 0.999 178.648 177.584 0.108 0.000 1.334 142 A CA -0.044 52.057 52.037 0.106 0.000 1.048 142 A CB -0.853 18.198 19.000 0.086 0.000 1.156 142 A HN 1.437 nan 8.150 nan 0.000 0.523 143 G N -0.433 108.453 108.800 0.142 0.000 3.355 143 G HA2 0.020 3.979 3.960 -0.000 0.000 0.198 143 G HA3 0.020 3.979 3.960 -0.000 0.000 0.198 143 G C 1.255 176.311 174.900 0.260 0.000 1.540 143 G CA 0.997 46.183 45.100 0.143 0.000 0.796 143 G HN 0.831 nan 8.290 nan 0.000 0.900 144 T N -1.197 113.540 114.554 0.305 0.000 3.054 144 T HA 0.410 4.760 4.350 -0.000 0.000 0.259 144 T C 1.900 176.857 174.700 0.427 0.000 1.092 144 T CA 1.698 64.074 62.100 0.460 0.000 1.121 144 T CB -0.011 69.046 68.868 0.315 0.000 0.912 144 T HN 1.777 nan 8.240 nan 0.000 0.489 145 A N 0.533 123.533 122.820 0.299 0.000 2.847 145 A HA -0.110 4.210 4.320 -0.000 0.000 0.263 145 A C 1.878 179.512 177.584 0.084 0.000 1.391 145 A CA 1.335 53.481 52.037 0.182 0.000 0.866 145 A CB -2.370 16.732 19.000 0.170 0.000 1.057 145 A HN 1.531 nan 8.150 nan 0.000 0.673 146 A N 0.238 123.134 122.820 0.126 0.000 2.076 146 A HA -0.078 4.241 4.320 -0.000 0.000 0.220 146 A C 1.866 179.477 177.584 0.045 0.000 1.160 146 A CA 1.850 53.935 52.037 0.081 0.000 0.653 146 A CB -0.404 18.654 19.000 0.096 0.000 0.801 146 A HN 1.190 nan 8.150 nan 0.000 0.455 147 E N -0.401 119.842 120.200 0.071 0.000 2.274 147 E HA -0.071 4.279 4.350 -0.000 0.000 0.194 147 E C 1.424 178.047 176.600 0.038 0.000 0.996 147 E CA 1.537 57.986 56.400 0.081 0.000 0.840 147 E CB -0.333 29.457 29.700 0.151 0.000 0.772 147 E HN 0.436 nan 8.360 nan 0.000 0.491 148 V N 1.446 121.316 119.914 -0.074 0.000 3.502 148 V HA 0.056 4.176 4.120 -0.000 0.000 0.288 148 V C 0.703 176.661 176.094 -0.227 0.000 1.461 148 V CA 0.814 63.003 62.300 -0.186 0.000 1.029 148 V CB 0.583 32.076 31.823 -0.550 0.000 0.843 148 V HN 0.435 nan 8.190 nan 0.000 0.438 149 T N -0.929 113.491 114.554 -0.222 0.000 2.847 149 T HA 0.391 4.741 4.350 -0.000 0.000 0.279 149 T C 0.901 175.527 174.700 -0.124 0.000 0.984 149 T CA 0.156 62.094 62.100 -0.269 0.000 0.988 149 T CB 1.366 70.019 68.868 -0.358 0.000 1.040 149 T HN 0.417 nan 8.240 nan 0.000 0.528 150 I N -1.641 118.861 120.570 -0.113 0.000 3.904 150 I HA 0.391 4.560 4.170 -0.000 0.000 0.333 150 I C -0.150 175.976 176.117 0.017 0.000 1.361 150 I CA -1.022 60.261 61.300 -0.030 0.000 1.116 150 I CB -0.724 37.250 38.000 -0.044 0.000 1.028 150 I HN 0.458 nan 8.210 nan 0.000 0.398 151 N N 1.287 119.996 118.700 0.014 0.000 2.471 151 N HA 0.702 5.442 4.740 -0.000 0.000 0.288 151 N C -1.424 174.176 175.510 0.150 0.000 1.220 151 N CA -0.725 52.336 53.050 0.018 0.000 0.893 151 N CB 1.440 39.933 38.487 0.011 0.000 1.256 151 N HN 0.268 nan 8.380 nan 0.000 0.534 152 Y N -3.095 117.185 120.300 -0.034 0.000 2.521 152 Y HA 0.576 5.125 4.550 -0.000 0.000 0.328 152 Y C -1.849 173.974 175.900 -0.128 0.000 1.151 152 Y CA -1.264 56.797 58.100 -0.066 0.000 1.054 152 Y CB 0.591 39.012 38.460 -0.064 0.000 1.338 152 Y HN 0.290 nan 8.280 nan 0.000 0.453 153 V N 5.800 125.676 119.914 -0.064 0.000 2.487 153 V HA 0.697 4.817 4.120 -0.000 0.000 0.298 153 V C -1.249 174.646 176.094 -0.333 0.000 1.028 153 V CA -0.693 61.433 62.300 -0.290 0.000 0.860 153 V CB 1.149 32.757 31.823 -0.358 0.000 0.991 153 V HN 0.723 nan 8.190 nan 0.000 0.427 154 I N 4.713 124.877 120.570 -0.678 0.000 2.648 154 I HA 0.478 4.648 4.170 -0.000 0.000 0.304 154 I C 0.402 176.109 176.117 -0.683 0.000 1.009 154 I CA -0.343 60.564 61.300 -0.654 0.000 1.114 154 I CB 2.077 39.655 38.000 -0.703 0.000 1.293 154 I HN 0.494 nan 8.210 nan 0.000 0.449 155 T N 3.161 117.562 114.554 -0.255 0.000 2.744 155 T HA 0.138 4.488 4.350 -0.000 0.000 0.291 155 T C -0.107 174.661 174.700 0.114 0.000 0.957 155 T CA -0.297 61.766 62.100 -0.062 0.000 1.002 155 T CB 0.712 69.572 68.868 -0.015 0.000 0.919 155 T HN 0.381 nan 8.240 nan 0.000 0.468 156 D N 2.981 123.537 120.400 0.260 0.000 2.468 156 D HA 0.121 4.760 4.640 -0.000 0.000 0.218 156 D C 1.079 177.454 176.300 0.125 0.000 1.155 156 D CA -0.256 53.911 54.000 0.278 0.000 0.924 156 D CB 0.656 41.633 40.800 0.295 0.000 1.029 156 D HN 0.540 nan 8.370 nan 0.000 0.515 157 E N 2.079 122.329 120.200 0.085 0.000 2.118 157 E HA -0.216 4.134 4.350 -0.000 0.000 0.195 157 E C 1.372 177.979 176.600 0.012 0.000 0.992 157 E CA 0.779 57.200 56.400 0.035 0.000 0.804 157 E CB 0.294 30.012 29.700 0.030 0.000 0.741 157 E HN 0.623 nan 8.360 nan 0.000 0.458 158 E N 1.119 121.333 120.200 0.024 0.000 2.077 158 E HA -0.193 4.157 4.350 -0.000 0.000 0.193 158 E C 1.221 177.816 176.600 -0.007 0.000 0.989 158 E CA 1.100 57.502 56.400 0.005 0.000 0.800 158 E CB 0.166 29.872 29.700 0.010 0.000 0.746 158 E HN 0.071 nan 8.360 nan 0.000 0.452 159 K N 0.090 120.495 120.400 0.009 0.000 2.387 159 K HA 0.128 4.448 4.320 -0.000 0.000 0.198 159 K C -0.090 176.509 176.600 -0.001 0.000 1.022 159 K CA -0.224 56.065 56.287 0.004 0.000 1.128 159 K CB 0.345 32.855 32.500 0.016 0.000 0.853 159 K HN 0.017 nan 8.250 nan 0.000 0.523 160 R N 2.110 122.597 120.500 -0.022 0.000 3.092 160 R HA -0.218 4.122 4.340 -0.000 0.000 0.245 160 R C -1.340 174.980 176.300 0.033 0.000 0.881 160 R CA 0.701 56.760 56.100 -0.068 0.000 0.614 160 R CB -1.165 28.983 30.300 -0.253 0.000 1.128 160 R HN 0.464 nan 8.270 nan 0.000 0.483 161 R N 0.348 120.911 120.500 0.104 0.000 2.604 161 R HA 0.323 4.662 4.340 -0.000 0.000 0.261 161 R C -1.561 174.844 176.300 0.176 0.000 1.080 161 R CA -1.268 54.932 56.100 0.167 0.000 0.917 161 R CB 0.994 31.398 30.300 0.173 0.000 1.252 161 R HN 0.031 nan 8.270 nan 0.000 0.456 162 K N 2.681 123.153 120.400 0.120 0.000 2.227 162 K HA 0.315 4.634 4.320 -0.000 0.000 0.280 162 K C -0.907 175.706 176.600 0.023 0.000 1.041 162 K CA -0.495 55.780 56.287 -0.021 0.000 0.905 162 K CB 0.735 33.158 32.500 -0.128 0.000 1.068 162 K HN 0.483 nan 8.250 nan 0.000 0.470 163 F N 0.052 119.958 119.950 -0.073 0.000 2.482 163 F HA 0.494 5.020 4.527 -0.001 0.000 0.331 163 F C -0.418 175.304 175.800 -0.130 0.000 1.115 163 F CA -1.474 56.483 58.000 -0.071 0.000 0.955 163 F CB 0.666 39.645 39.000 -0.036 0.000 1.136 163 F HN -0.006 nan 8.300 nan 0.000 0.452 164 V N 2.914 122.828 119.914 0.000 0.000 2.498 164 V HA 0.262 4.382 4.120 -0.000 0.000 0.279 164 V C -0.163 175.867 176.094 -0.106 0.000 1.048 164 V CA -0.519 61.720 62.300 -0.101 0.000 0.967 164 V CB 0.919 32.744 31.823 0.003 0.000 0.988 164 V HN 1.043 nan 8.190 nan 0.000 0.473 165 C N 5.053 124.141 119.300 -0.354 0.000 2.345 165 C HA 0.662 5.121 4.460 -0.000 0.000 0.323 165 C C 0.097 174.832 174.990 -0.425 0.000 1.276 165 C CA -0.832 57.895 59.018 -0.486 0.000 1.543 165 C CB 0.824 27.931 27.740 -1.056 0.000 2.211 165 C HN 0.633 nan 8.230 nan 0.000 0.493 166 V N 3.395 123.179 119.914 -0.217 0.000 2.357 166 V HA 0.612 4.732 4.120 -0.000 0.000 0.284 166 V C -0.717 175.319 176.094 -0.096 0.000 1.018 166 V CA 0.148 62.375 62.300 -0.122 0.000 0.841 166 V CB 1.444 33.227 31.823 -0.066 0.000 0.991 166 V HN 0.912 nan 8.190 nan 0.000 0.437 167 D N 5.705 126.075 120.400 -0.050 0.000 2.688 167 D HA 0.364 5.003 4.640 -0.000 0.000 0.210 167 D C -2.355 173.936 176.300 -0.015 0.000 1.333 167 D CA -1.401 52.577 54.000 -0.037 0.000 0.920 167 D CB 3.117 43.923 40.800 0.010 0.000 1.554 167 D HN 0.115 nan 8.370 nan 0.000 0.579 168 P HA -0.077 nan 4.420 nan 0.000 0.221 168 P C 0.768 178.082 177.300 0.022 0.000 1.145 168 P CA 1.087 64.151 63.100 -0.059 0.000 0.795 168 P CB 0.069 31.698 31.700 -0.118 0.000 0.775 169 H N -0.989 118.088 119.070 0.012 0.000 2.545 169 H HA -0.089 4.467 4.556 -0.000 0.000 0.282 169 H C 1.059 176.393 175.328 0.010 0.000 1.020 169 H CA 0.852 56.908 56.048 0.012 0.000 1.243 169 H CB -0.126 29.642 29.762 0.010 0.000 1.377 169 H HN 0.312 nan 8.280 nan 0.000 0.581 170 D N 0.011 120.494 120.400 0.139 0.000 2.349 170 D HA -0.019 4.621 4.640 -0.000 0.000 0.214 170 D C 0.472 176.796 176.300 0.040 0.000 1.063 170 D CA -0.309 53.734 54.000 0.071 0.000 0.847 170 D CB -0.232 40.633 40.800 0.108 0.000 0.933 170 D HN 0.141 nan 8.370 nan 0.000 0.513 171 I N 1.468 122.066 120.570 0.047 0.000 2.668 171 I HA 0.159 4.329 4.170 -0.000 0.000 0.285 171 I C -2.252 173.882 176.117 0.029 0.000 1.168 171 I CA -2.241 59.075 61.300 0.026 0.000 1.424 171 I CB 0.371 38.383 38.000 0.020 0.000 1.377 171 I HN -0.153 nan 8.210 nan 0.000 0.560 172 P HA 0.063 nan 4.420 nan 0.000 0.269 172 P C -0.098 177.231 177.300 0.047 0.000 1.209 172 P CA -0.216 62.908 63.100 0.039 0.000 0.776 172 P CB 0.496 32.222 31.700 0.044 0.000 0.876 173 Q N 0.676 120.519 119.800 0.073 0.000 2.123 173 Q HA 0.024 4.364 4.340 -0.000 0.000 0.199 173 Q C 0.337 176.361 176.000 0.042 0.000 0.966 173 Q CA 1.319 57.169 55.803 0.078 0.000 0.845 173 Q CB -0.068 28.754 28.738 0.139 0.000 0.907 173 Q HN 0.286 nan 8.270 nan 0.000 0.439 174 V N -0.457 119.474 119.914 0.027 0.000 2.888 174 V HA 0.718 4.838 4.120 -0.000 0.000 0.309 174 V C -1.036 174.926 176.094 -0.220 0.000 1.114 174 V CA -1.035 61.188 62.300 -0.129 0.000 0.940 174 V CB 1.928 33.658 31.823 -0.154 0.000 1.021 174 V HN 0.123 nan 8.190 nan 0.000 0.426 175 A N 3.298 125.886 122.820 -0.386 0.000 2.355 175 A HA 0.953 5.272 4.320 -0.000 0.000 0.317 175 A C -1.392 175.837 177.584 -0.592 0.000 1.094 175 A CA -0.365 51.497 52.037 -0.291 0.000 0.764 175 A CB 1.023 19.979 19.000 -0.074 0.000 1.230 175 A HN 0.666 nan 8.150 nan 0.000 0.448 176 F N 2.077 121.996 119.950 -0.050 0.000 2.434 176 F HA 0.465 4.992 4.527 -0.000 0.000 0.355 176 F C -0.417 175.313 175.800 -0.118 0.000 1.115 176 F CA -0.384 57.574 58.000 -0.071 0.000 1.010 176 F CB 1.571 40.553 39.000 -0.029 0.000 1.234 176 F HN 0.273 nan 8.300 nan 0.000 0.439 177 I N 3.013 123.505 120.570 -0.130 0.000 2.313 177 I HA 0.212 4.382 4.170 -0.000 0.000 0.286 177 I C -0.480 175.648 176.117 0.019 0.000 1.091 177 I CA -0.109 61.136 61.300 -0.091 0.000 1.216 177 I CB 0.294 38.130 38.000 -0.273 0.000 1.434 177 I HN 0.370 nan 8.210 nan 0.000 0.487 178 D N 4.440 124.876 120.400 0.061 0.000 2.440 178 D HA 0.441 5.080 4.640 -0.000 0.000 0.239 178 D C 0.929 177.261 176.300 0.053 0.000 1.084 178 D CA -0.391 53.646 54.000 0.062 0.000 0.843 178 D CB 2.041 42.870 40.800 0.047 0.000 1.097 178 D HN 0.472 nan 8.370 nan 0.000 0.531 179 A N 3.993 126.848 122.820 0.058 0.000 2.070 179 A HA -0.093 4.227 4.320 -0.000 0.000 0.220 179 A C 0.943 178.547 177.584 0.032 0.000 1.159 179 A CA 0.734 52.801 52.037 0.050 0.000 0.656 179 A CB -0.150 18.882 19.000 0.052 0.000 0.800 179 A HN 0.529 nan 8.150 nan 0.000 0.453 187 P HA -0.253 nan 4.420 nan 0.000 0.216 187 P C 1.113 178.412 177.300 -0.001 0.000 1.154 187 P CA 2.148 65.248 63.100 0.000 0.000 0.865 187 P CB -0.016 31.683 31.700 -0.002 0.000 0.789 188 A N -1.202 121.617 122.820 -0.002 0.000 1.972 188 A HA -0.164 4.156 4.320 -0.000 0.000 0.219 188 A C 2.100 179.683 177.584 -0.001 0.000 1.169 188 A CA 1.309 53.343 52.037 -0.005 0.000 0.635 188 A CB -1.466 17.530 19.000 -0.005 0.000 0.810 188 A HN 0.165 nan 8.150 nan 0.000 0.446 189 L N -0.318 120.909 121.223 0.005 0.000 2.109 189 L HA -0.028 4.312 4.340 -0.000 0.000 0.207 189 L C 2.131 179.009 176.870 0.013 0.000 1.086 189 L CA 1.972 56.819 54.840 0.012 0.000 0.760 189 L CB -0.469 41.600 42.059 0.017 0.000 0.910 189 L HN 0.302 nan 8.230 nan 0.000 0.437 190 K N -0.473 119.934 120.400 0.011 0.000 2.097 190 K HA -0.109 4.211 4.320 -0.000 0.000 0.206 190 K C 2.073 178.676 176.600 0.004 0.000 1.049 190 K CA 1.283 57.578 56.287 0.013 0.000 0.933 190 K CB -0.356 32.150 32.500 0.011 0.000 0.717 190 K HN 0.464 nan 8.250 nan 0.000 0.442 191 A N 1.652 124.469 122.820 -0.004 0.000 1.858 191 A HA -0.118 4.202 4.320 -0.000 0.000 0.216 191 A C 2.413 179.982 177.584 -0.025 0.000 1.190 191 A CA 1.886 53.914 52.037 -0.016 0.000 0.617 191 A CB -0.790 18.200 19.000 -0.018 0.000 0.827 191 A HN 0.324 nan 8.150 nan 0.000 0.443 192 A N -0.312 122.497 122.820 -0.019 0.000 1.877 192 A HA -0.116 4.204 4.320 -0.000 0.000 0.216 192 A C 2.467 180.034 177.584 -0.029 0.000 1.186 192 A CA 2.726 54.746 52.037 -0.028 0.000 0.620 192 A CB -1.492 17.501 19.000 -0.012 0.000 0.822 192 A HN 0.808 nan 8.150 nan 0.000 0.443 193 T N -2.871 111.683 114.554 0.001 0.000 2.915 193 T HA 0.070 4.419 4.350 -0.000 0.000 0.269 193 T C 1.826 176.523 174.700 -0.004 0.000 1.071 193 T CA 1.507 63.618 62.100 0.018 0.000 1.132 193 T CB -0.677 68.222 68.868 0.052 0.000 0.878 193 T HN 0.404 nan 8.240 nan 0.000 0.479 194 G N 0.910 109.704 108.800 -0.010 0.000 2.408 194 G HA2 -0.056 3.903 3.960 -0.000 0.000 0.217 194 G HA3 -0.056 3.903 3.960 -0.000 0.000 0.217 194 G C 1.571 176.439 174.900 -0.054 0.000 1.150 194 G CA 0.755 45.846 45.100 -0.015 0.000 0.776 194 G HN 0.493 nan 8.290 nan 0.000 0.542 195 V N 1.116 120.984 119.914 -0.077 0.000 2.719 195 V HA -0.083 4.037 4.120 -0.000 0.000 0.252 195 V C 2.393 178.382 176.094 -0.175 0.000 1.065 195 V CA 1.841 64.073 62.300 -0.114 0.000 1.086 195 V CB 0.063 31.818 31.823 -0.113 0.000 0.700 195 V HN 0.401 nan 8.190 nan 0.000 0.467 196 D N 1.128 121.411 120.400 -0.195 0.000 2.097 196 D HA -0.154 4.486 4.640 -0.000 0.000 0.195 196 D C 2.154 178.142 176.300 -0.520 0.000 0.989 196 D CA 1.716 55.517 54.000 -0.333 0.000 0.827 196 D CB -0.071 40.613 40.800 -0.193 0.000 0.966 196 D HN 0.336 nan 8.370 nan 0.000 0.456 197 A N 0.101 122.755 122.820 -0.276 0.000 1.902 197 A HA -0.097 4.223 4.320 -0.000 0.000 0.217 197 A C 2.235 179.769 177.584 -0.083 0.000 1.181 197 A CA 1.486 53.446 52.037 -0.128 0.000 0.623 197 A CB -0.968 18.060 19.000 0.046 0.000 0.818 197 A HN 0.392 nan 8.150 nan 0.000 0.443 198 L N -0.230 120.935 121.223 -0.097 0.000 2.046 198 L HA -0.114 4.226 4.340 -0.000 0.000 0.208 198 L C 2.427 179.236 176.870 -0.102 0.000 1.077 198 L CA 2.749 57.541 54.840 -0.080 0.000 0.747 198 L CB -0.957 41.046 42.059 -0.093 0.000 0.896 198 L HN 0.363 nan 8.230 nan 0.000 0.432 199 T N -1.461 113.002 114.554 -0.151 0.000 2.746 199 T HA -0.209 4.141 4.350 -0.000 0.000 0.267 199 T C 1.647 176.301 174.700 -0.077 0.000 1.039 199 T CA 1.825 63.856 62.100 -0.115 0.000 1.142 199 T CB -0.534 68.266 68.868 -0.113 0.000 0.866 199 T HN 0.591 nan 8.240 nan 0.000 0.444 200 H N 0.630 119.594 119.070 -0.177 0.000 2.319 200 H HA -0.006 4.549 4.556 -0.001 0.000 0.299 200 H C 2.610 177.795 175.328 -0.240 0.000 1.092 200 H CA 0.890 56.665 56.048 -0.455 0.000 1.302 200 H CB -0.081 29.381 29.762 -0.501 0.000 1.373 200 H HN 0.382 nan 8.280 nan 0.000 0.497 201 A N 0.896 123.753 122.820 0.062 0.000 1.898 201 A HA -0.115 4.205 4.320 -0.000 0.000 0.216 201 A C 2.399 179.911 177.584 -0.120 0.000 1.181 201 A CA 1.207 53.280 52.037 0.059 0.000 0.620 201 A CB -0.539 18.517 19.000 0.094 0.000 0.819 201 A HN 0.295 nan 8.150 nan 0.000 0.442 202 I N -0.535 119.980 120.570 -0.091 0.000 2.202 202 I HA -0.215 3.955 4.170 -0.000 0.000 0.242 202 I C 2.545 178.633 176.117 -0.048 0.000 1.091 202 I CA 1.382 62.642 61.300 -0.067 0.000 1.368 202 I CB -0.458 37.479 38.000 -0.105 0.000 1.058 202 I HN 0.414 nan 8.210 nan 0.000 0.410 203 E N 0.819 120.967 120.200 -0.086 0.000 2.077 203 E HA -0.180 4.170 4.350 -0.000 0.000 0.193 203 E C 2.263 178.793 176.600 -0.117 0.000 0.989 203 E CA 1.377 57.736 56.400 -0.068 0.000 0.800 203 E CB -0.347 29.305 29.700 -0.080 0.000 0.746 203 E HN 0.591 nan 8.360 nan 0.000 0.452 204 G N 0.367 108.997 108.800 -0.282 0.000 2.432 204 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.219 204 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.219 204 G C 1.374 176.006 174.900 -0.446 0.000 1.135 204 G CA 0.509 45.333 45.100 -0.460 0.000 0.767 204 G HN 0.240 nan 8.290 nan 0.000 0.550 205 Y N 1.742 121.725 120.300 -0.528 0.000 2.293 205 Y HA 0.013 4.563 4.550 -0.000 0.000 0.291 205 Y C 2.332 178.224 175.900 -0.014 0.000 1.137 205 Y CA 1.113 59.124 58.100 -0.149 0.000 1.202 205 Y CB 0.050 38.468 38.460 -0.069 0.000 0.990 205 Y HN 0.338 nan 8.280 nan 0.000 0.537 206 I N -3.300 117.274 120.570 0.007 0.000 4.018 206 I HA 0.237 4.407 4.170 -0.000 0.000 0.337 206 I C 0.830 176.954 176.117 0.011 0.000 1.327 206 I CA -0.041 61.252 61.300 -0.011 0.000 1.100 206 I CB -0.383 37.682 38.000 0.108 0.000 1.025 206 I HN -0.115 nan 8.210 nan 0.000 0.396 207 T N 1.207 115.770 114.554 0.014 0.000 2.903 207 T HA 0.120 4.470 4.350 -0.000 0.000 0.314 207 T C 1.390 176.115 174.700 0.040 0.000 1.078 207 T CA 0.244 62.365 62.100 0.035 0.000 1.114 207 T CB 0.830 69.728 68.868 0.050 0.000 0.987 207 T HN 0.387 nan 8.240 nan 0.000 0.548 208 R N 2.159 122.682 120.500 0.037 0.000 2.103 208 R HA -0.090 4.250 4.340 -0.000 0.000 0.242 208 R C 2.354 178.686 176.300 0.052 0.000 1.142 208 R CA 1.568 57.686 56.100 0.030 0.000 0.960 208 R CB -0.585 29.724 30.300 0.015 0.000 0.858 208 R HN 0.753 nan 8.270 nan 0.000 0.439 209 G N 0.288 109.135 108.800 0.078 0.000 2.920 209 G HA2 0.157 4.117 3.960 -0.000 0.000 0.208 209 G HA3 0.157 4.117 3.960 -0.000 0.000 0.208 209 G C 0.226 175.249 174.900 0.206 0.000 1.159 209 G CA 0.166 45.334 45.100 0.112 0.000 0.784 209 G HN 0.366 nan 8.290 nan 0.000 0.535 210 A N 0.963 123.888 122.820 0.175 0.000 2.565 210 A HA 0.470 4.790 4.320 -0.000 0.000 0.237 210 A C 0.361 178.118 177.584 0.289 0.000 1.053 210 A CA 0.093 52.253 52.037 0.205 0.000 0.755 210 A CB 0.039 19.087 19.000 0.081 0.000 0.980 210 A HN 0.648 nan 8.150 nan 0.000 0.506 211 W N -0.496 120.829 121.300 0.041 0.000 3.098 211 W HA 0.615 5.275 4.660 -0.001 0.000 0.367 211 W C 0.618 177.159 176.519 0.037 0.000 1.163 211 W CA -0.370 56.990 57.345 0.024 0.000 1.113 211 W CB 0.836 30.305 29.460 0.016 0.000 1.501 211 W HN 0.848 nan 8.180 nan 0.000 0.598 212 A N 0.771 123.675 122.820 0.140 0.000 1.869 212 A HA -0.265 4.055 4.320 -0.000 0.000 0.218 212 A C 1.925 179.264 177.584 -0.408 0.000 1.203 212 A CA 3.203 55.195 52.037 -0.075 0.000 0.638 212 A CB -0.998 18.059 19.000 0.095 0.000 0.831 212 A HN 0.625 nan 8.150 nan 0.000 0.450 213 L N 0.256 120.874 121.223 -1.009 0.000 2.046 213 L HA -0.120 4.219 4.340 -0.000 0.000 0.208 213 L C 2.781 179.223 176.870 -0.714 0.000 1.077 213 L CA 3.069 57.356 54.840 -0.921 0.000 0.747 213 L CB -1.014 40.317 42.059 -1.215 0.000 0.896 213 L HN 0.624 nan 8.230 nan 0.000 0.432 214 T N -4.759 109.267 114.554 -0.881 0.000 2.951 214 T HA -0.113 4.237 4.350 -0.000 0.000 0.268 214 T C 1.646 176.248 174.700 -0.163 0.000 1.073 214 T CA 1.030 62.848 62.100 -0.470 0.000 1.134 214 T CB -0.525 68.180 68.868 -0.273 0.000 0.884 214 T HN 0.255 nan 8.240 nan 0.000 0.479 215 D N 1.988 122.350 120.400 -0.064 0.000 2.144 215 D HA 0.087 4.727 4.640 -0.000 0.000 0.199 215 D C 2.447 178.851 176.300 0.173 0.000 0.984 215 D CA 1.393 55.531 54.000 0.230 0.000 0.834 215 D CB -0.621 40.261 40.800 0.137 0.000 0.955 215 D HN 0.561 nan 8.370 nan 0.000 0.465 216 A N 0.416 123.222 122.820 -0.023 0.000 1.902 216 A HA -0.111 4.209 4.320 -0.000 0.000 0.217 216 A C 2.361 179.899 177.584 -0.077 0.000 1.181 216 A CA 0.928 52.936 52.037 -0.048 0.000 0.623 216 A CB -0.720 18.222 19.000 -0.098 0.000 0.818 216 A HN 0.206 nan 8.150 nan 0.000 0.443 217 L N -1.509 119.624 121.223 -0.149 0.000 2.027 217 L HA -0.159 4.181 4.340 -0.000 0.000 0.206 217 L C 2.716 179.516 176.870 -0.116 0.000 1.074 217 L CA 1.264 56.000 54.840 -0.173 0.000 0.745 217 L CB -0.821 41.066 42.059 -0.286 0.000 0.898 217 L HN 0.430 nan 8.230 nan 0.000 0.433 218 H N -0.518 118.544 119.070 -0.014 0.000 2.321 218 H HA -0.167 4.388 4.556 -0.000 0.000 0.300 218 H C 2.211 177.426 175.328 -0.189 0.000 1.087 218 H CA 1.785 57.820 56.048 -0.022 0.000 1.319 218 H CB -0.179 29.649 29.762 0.110 0.000 1.379 218 H HN 0.203 nan 8.280 nan 0.000 0.501 219 I N 1.377 121.835 120.570 -0.187 0.000 2.361 219 I HA -0.190 3.980 4.170 -0.000 0.000 0.251 219 I C 2.270 178.283 176.117 -0.173 0.000 1.133 219 I CA 1.239 62.311 61.300 -0.380 0.000 1.413 219 I CB -0.160 37.611 38.000 -0.382 0.000 1.073 219 I HN -0.054 nan 8.210 nan 0.000 0.424 220 K N 1.171 121.514 120.400 -0.096 0.000 2.062 220 K HA 0.050 4.370 4.320 -0.000 0.000 0.205 220 K C 2.047 178.620 176.600 -0.044 0.000 1.051 220 K CA 1.647 57.895 56.287 -0.065 0.000 0.941 220 K CB -0.669 31.797 32.500 -0.057 0.000 0.719 220 K HN 0.300 nan 8.250 nan 0.000 0.440 221 A N 0.901 123.710 122.820 -0.018 0.000 1.902 221 A HA -0.096 4.224 4.320 -0.000 0.000 0.217 221 A C 2.265 179.848 177.584 -0.002 0.000 1.181 221 A CA 1.734 53.785 52.037 0.023 0.000 0.623 221 A CB -0.709 18.346 19.000 0.091 0.000 0.818 221 A HN 0.346 nan 8.150 nan 0.000 0.443 222 I N -0.587 119.956 120.570 -0.045 0.000 2.163 222 I HA -0.293 3.877 4.170 -0.000 0.000 0.243 222 I C 2.589 178.665 176.117 -0.068 0.000 1.085 222 I CA 1.933 63.187 61.300 -0.077 0.000 1.347 222 I CB -0.417 37.490 38.000 -0.155 0.000 1.044 222 I HN 0.566 nan 8.210 nan 0.000 0.408 223 E N 1.634 121.790 120.200 -0.073 0.000 2.058 223 E HA -0.236 4.113 4.350 -0.000 0.000 0.194 223 E C 2.319 178.898 176.600 -0.035 0.000 0.997 223 E CA 1.544 57.911 56.400 -0.056 0.000 0.801 223 E CB -0.059 29.607 29.700 -0.056 0.000 0.746 223 E HN 0.456 nan 8.360 nan 0.000 0.450 224 I N 0.724 121.280 120.570 -0.024 0.000 2.179 224 I HA -0.290 3.880 4.170 -0.000 0.000 0.242 224 I C 2.465 178.581 176.117 -0.002 0.000 1.088 224 I CA 1.072 62.367 61.300 -0.009 0.000 1.357 224 I CB -0.265 37.738 38.000 0.005 0.000 1.051 224 I HN 0.213 nan 8.210 nan 0.000 0.409 225 I N 0.836 121.406 120.570 -0.000 0.000 2.179 225 I HA -0.271 3.898 4.170 -0.000 0.000 0.242 225 I C 2.798 178.906 176.117 -0.016 0.000 1.088 225 I CA 1.414 62.714 61.300 0.000 0.000 1.357 225 I CB -0.534 37.467 38.000 0.002 0.000 1.051 225 I HN 0.171 nan 8.210 nan 0.000 0.409 226 A N 0.762 123.564 122.820 -0.030 0.000 1.972 226 A HA -0.115 4.204 4.320 -0.000 0.000 0.219 226 A C 2.352 179.920 177.584 -0.026 0.000 1.169 226 A CA 1.888 53.903 52.037 -0.036 0.000 0.635 226 A CB -1.239 17.731 19.000 -0.049 0.000 0.810 226 A HN 0.500 nan 8.150 nan 0.000 0.446 227 G N -1.677 107.110 108.800 -0.021 0.000 2.551 227 G HA2 0.254 4.214 3.960 -0.000 0.000 0.216 227 G HA3 0.254 4.214 3.960 -0.000 0.000 0.216 227 G C 1.267 176.161 174.900 -0.010 0.000 1.137 227 G CA 1.030 46.121 45.100 -0.016 0.000 0.798 227 G HN 0.778 nan 8.290 nan 0.000 0.536 228 A N -0.363 122.453 122.820 -0.006 0.000 2.259 228 A HA 0.457 4.777 4.320 -0.000 0.000 0.213 228 A C 1.947 179.532 177.584 0.001 0.000 1.209 228 A CA 0.184 52.222 52.037 0.001 0.000 0.910 228 A CB -0.040 18.965 19.000 0.009 0.000 0.946 228 A HN 0.237 nan 8.150 nan 0.000 0.497 229 L N 0.726 121.947 121.223 -0.003 0.000 2.012 229 L HA -0.150 4.190 4.340 -0.000 0.000 0.210 229 L C 2.386 179.253 176.870 -0.006 0.000 1.073 229 L CA 2.027 56.864 54.840 -0.005 0.000 0.748 229 L CB -0.596 41.454 42.059 -0.014 0.000 0.891 229 L HN 0.380 nan 8.230 nan 0.000 0.431 230 R N -0.954 119.540 120.500 -0.009 0.000 2.083 230 R HA -0.143 4.197 4.340 -0.000 0.000 0.237 230 R C 2.189 178.486 176.300 -0.005 0.000 1.137 230 R CA 1.333 57.427 56.100 -0.009 0.000 0.951 230 R CB -1.083 29.211 30.300 -0.010 0.000 0.851 230 R HN 0.580 nan 8.270 nan 0.000 0.434 231 G N -0.258 108.541 108.800 -0.003 0.000 2.422 231 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.218 231 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.218 231 G C 1.434 176.335 174.900 0.002 0.000 1.146 231 G CA 0.865 45.965 45.100 -0.000 0.000 0.769 231 G HN 0.329 nan 8.290 nan 0.000 0.547 232 S N -0.370 115.333 115.700 0.005 0.000 2.355 232 S HA -0.090 4.380 4.470 -0.000 0.000 0.222 232 S C 2.514 177.117 174.600 0.006 0.000 1.031 232 S CA 1.383 59.588 58.200 0.009 0.000 0.993 232 S CB -0.287 62.922 63.200 0.014 0.000 0.859 232 S HN 0.110 nan 8.310 nan 0.000 0.453 233 V N 2.124 122.039 119.914 0.002 0.000 2.469 233 V HA -0.134 3.985 4.120 -0.000 0.000 0.251 233 V C 2.709 178.803 176.094 -0.001 0.000 1.064 233 V CA 1.719 64.018 62.300 -0.000 0.000 1.066 233 V CB -1.198 30.622 31.823 -0.005 0.000 0.667 233 V HN 0.606 nan 8.190 nan 0.000 0.461 234 A N -0.819 122.000 122.820 -0.001 0.000 2.119 234 A HA 0.311 4.631 4.320 -0.000 0.000 0.217 234 A C 2.023 179.607 177.584 0.000 0.000 1.153 234 A CA 1.363 53.399 52.037 -0.002 0.000 0.692 234 A CB -0.357 18.642 19.000 -0.002 0.000 0.799 234 A HN 1.202 nan 8.150 nan 0.000 0.458 235 G N -0.756 108.046 108.800 0.002 0.000 2.184 235 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.206 235 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.206 235 G C -0.115 174.788 174.900 0.005 0.000 0.995 235 G CA 0.199 45.301 45.100 0.004 0.000 0.651 235 G HN 0.636 nan 8.290 nan 0.000 0.511 236 D N 0.544 120.947 120.400 0.005 0.000 2.417 236 D HA 0.432 5.072 4.640 -0.000 0.000 0.250 236 D C 1.684 177.990 176.300 0.010 0.000 1.166 236 D CA 0.241 54.245 54.000 0.006 0.000 0.881 236 D CB 0.529 41.332 40.800 0.005 0.000 1.164 236 D HN 0.311 nan 8.370 nan 0.000 0.467 237 K N 2.344 122.750 120.400 0.010 0.000 2.026 237 K HA -0.128 4.192 4.320 -0.000 0.000 0.208 237 K C 1.140 177.751 176.600 0.017 0.000 1.048 237 K CA 1.170 57.465 56.287 0.014 0.000 0.929 237 K CB 0.050 32.557 32.500 0.012 0.000 0.713 237 K HN 0.490 nan 8.250 nan 0.000 0.439 238 D N 0.743 121.152 120.400 0.015 0.000 2.144 238 D HA -0.118 4.522 4.640 -0.000 0.000 0.199 238 D C 1.810 178.121 176.300 0.019 0.000 0.984 238 D CA 1.214 55.224 54.000 0.017 0.000 0.834 238 D CB -0.191 40.617 40.800 0.012 0.000 0.955 238 D HN 0.222 nan 8.370 nan 0.000 0.465 239 A N 0.599 123.428 122.820 0.015 0.000 1.972 239 A HA -0.007 4.312 4.320 -0.000 0.000 0.219 239 A C 2.356 179.955 177.584 0.024 0.000 1.169 239 A CA 1.928 53.974 52.037 0.016 0.000 0.635 239 A CB -0.947 18.060 19.000 0.011 0.000 0.810 239 A HN 0.304 nan 8.150 nan 0.000 0.446 240 G N -0.574 108.242 108.800 0.025 0.000 2.408 240 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.217 240 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.217 240 G C 1.453 176.380 174.900 0.045 0.000 1.150 240 G CA 1.054 46.174 45.100 0.033 0.000 0.776 240 G HN 0.663 nan 8.290 nan 0.000 0.542 241 E N 0.305 120.531 120.200 0.043 0.000 2.106 241 E HA -0.021 4.329 4.350 -0.000 0.000 0.192 241 E C 1.138 177.774 176.600 0.059 0.000 0.984 241 E CA 0.195 56.628 56.400 0.055 0.000 0.806 241 E CB 0.012 29.741 29.700 0.048 0.000 0.750 241 E HN 0.564 nan 8.360 nan 0.000 0.458 245 L N 1.299 122.623 121.223 0.168 0.000 2.044 245 L HA 0.263 4.603 4.340 -0.000 0.000 0.205 245 L C 2.253 179.236 176.870 0.187 0.000 1.075 245 L CA 3.009 57.955 54.840 0.177 0.000 0.747 245 L CB -0.951 41.146 42.059 0.063 0.000 0.903 245 L HN 0.407 nan 8.230 nan 0.000 0.435 246 G N -0.556 108.322 108.800 0.130 0.000 2.440 246 G HA2 -0.369 3.591 3.960 -0.000 0.000 0.218 246 G HA3 -0.369 3.591 3.960 -0.000 0.000 0.218 246 G C 1.342 176.345 174.900 0.171 0.000 1.154 246 G CA 1.018 46.189 45.100 0.119 0.000 0.767 246 G HN 0.655 nan 8.290 nan 0.000 0.552 247 Q N -0.823 119.095 119.800 0.197 0.000 2.167 247 Q HA -0.081 4.259 4.340 -0.000 0.000 0.202 247 Q C 2.160 178.338 176.000 0.297 0.000 0.970 247 Q CA 1.536 57.481 55.803 0.237 0.000 0.855 247 Q CB -0.733 28.135 28.738 0.215 0.000 0.911 247 Q HN 0.579 nan 8.270 nan 0.000 0.438 248 Y N 0.667 121.078 120.300 0.186 0.000 2.184 248 Y HA -0.072 4.478 4.550 -0.000 0.000 0.290 248 Y C 1.979 177.964 175.900 0.142 0.000 1.129 248 Y CA 1.309 59.522 58.100 0.188 0.000 1.144 248 Y CB 0.007 38.631 38.460 0.273 0.000 0.995 248 Y HN 0.013 nan 8.280 nan 0.000 0.513 249 V N 0.661 120.760 119.914 0.308 0.000 2.392 249 V HA -0.364 3.756 4.120 -0.000 0.000 0.249 249 V C 2.638 178.760 176.094 0.047 0.000 1.059 249 V CA 1.749 64.132 62.300 0.138 0.000 1.051 249 V CB -1.568 30.310 31.823 0.092 0.000 0.658 249 V HN 0.584 nan 8.190 nan 0.000 0.455 250 A N 0.213 123.126 122.820 0.155 0.000 1.908 250 A HA 0.029 4.349 4.320 -0.000 0.000 0.218 250 A C 1.733 179.505 177.584 0.314 0.000 1.181 250 A CA 1.512 53.725 52.037 0.294 0.000 0.627 250 A CB -1.150 18.078 19.000 0.379 0.000 0.818 250 A HN 0.579 nan 8.150 nan 0.000 0.445 254 F N 2.646 122.728 119.950 0.220 0.000 2.269 254 F HA 0.131 4.657 4.527 -0.001 0.000 0.301 254 F C 2.348 178.163 175.800 0.025 0.000 1.082 254 F CA 1.869 59.980 58.000 0.184 0.000 1.360 254 F CB -0.510 38.544 39.000 0.091 0.000 1.041 254 F HN 0.221 nan 8.300 nan 0.000 0.512 255 S N 0.829 116.083 115.700 -0.743 0.000 2.400 255 S HA -0.243 4.227 4.470 -0.000 0.000 0.232 255 S C 1.485 175.982 174.600 -0.172 0.000 1.025 255 S CA 1.982 59.857 58.200 -0.540 0.000 0.993 255 S CB -0.814 62.053 63.200 -0.556 0.000 0.808 255 S HN 0.705 nan 8.310 nan 0.000 0.478 256 N N -0.360 118.288 118.700 -0.088 0.000 2.353 256 N HA 0.111 4.851 4.740 -0.000 0.000 0.185 256 N C 1.156 176.739 175.510 0.120 0.000 1.098 256 N CA 0.743 53.809 53.050 0.027 0.000 0.872 256 N CB 0.959 39.482 38.487 0.059 0.000 0.970 256 N HN 0.480 nan 8.380 nan 0.000 0.467 257 V N -5.027 114.978 119.914 0.153 0.000 3.350 257 V HA 0.646 4.765 4.120 -0.000 0.000 0.246 257 V C 0.836 177.021 176.094 0.153 0.000 1.363 257 V CA 0.213 62.627 62.300 0.189 0.000 1.162 257 V CB 0.118 32.099 31.823 0.264 0.000 0.947 257 V HN 0.143 nan 8.190 nan 0.000 0.454 258 G N -0.012 108.894 108.800 0.178 0.000 2.384 258 G HA2 0.074 4.034 3.960 -0.000 0.000 0.668 258 G HA3 0.074 4.034 3.960 -0.000 0.000 0.668 258 G C -0.989 173.987 174.900 0.127 0.000 1.280 258 G CA -0.201 44.988 45.100 0.149 0.000 0.992 258 G HN 0.407 nan 8.290 nan 0.000 0.512 259 L N -0.368 120.881 121.223 0.044 0.000 2.801 259 L HA 0.953 5.293 4.340 -0.000 0.000 0.221 259 L C 1.458 178.323 176.870 -0.008 0.000 1.895 259 L CA -0.042 54.764 54.840 -0.055 0.000 2.760 259 L CB 0.592 42.510 42.059 -0.235 0.000 2.629 259 L HN 1.510 nan 8.230 nan 0.000 0.670 260 G N -1.134 107.667 108.800 0.001 0.000 2.588 260 G HA2 0.256 4.216 3.960 -0.000 0.000 0.281 260 G HA3 0.256 4.216 3.960 -0.000 0.000 0.281 260 G C -0.715 174.208 174.900 0.038 0.000 1.223 260 G CA -0.333 44.788 45.100 0.034 0.000 0.871 260 G HN 0.146 nan 8.290 nan 0.000 0.492 261 L N 0.737 121.982 121.223 0.037 0.000 2.201 261 L HA 0.108 4.448 4.340 -0.000 0.000 0.212 261 L C 2.852 179.691 176.870 -0.051 0.000 1.105 261 L CA 1.673 56.509 54.840 -0.008 0.000 0.775 261 L CB -0.379 41.673 42.059 -0.011 0.000 0.913 261 L HN 0.316 nan 8.230 nan 0.000 0.440 262 V N -0.844 119.057 119.914 -0.021 0.000 2.261 262 V HA -0.339 3.781 4.120 -0.000 0.000 0.246 262 V C 2.396 178.415 176.094 -0.126 0.000 1.047 262 V CA 2.117 64.374 62.300 -0.071 0.000 1.015 262 V CB -0.892 30.908 31.823 -0.038 0.000 0.642 262 V HN 0.495 nan 8.190 nan 0.000 0.446 263 H N 0.265 119.230 119.070 -0.175 0.000 2.423 263 H HA 0.135 4.691 4.556 -0.001 0.000 0.297 263 H C 1.616 176.712 175.328 -0.387 0.000 1.075 263 H CA 0.644 56.519 56.048 -0.288 0.000 1.342 263 H CB -0.740 28.890 29.762 -0.220 0.000 1.395 263 H HN 0.506 nan 8.280 nan 0.000 0.530 267 H N 0.892 120.038 119.070 0.127 0.000 2.319 267 H HA -0.079 4.477 4.556 -0.000 0.000 0.299 267 H C -0.769 174.632 175.328 0.121 0.000 1.092 267 H CA 1.698 57.830 56.048 0.140 0.000 1.302 267 H CB -0.501 29.341 29.762 0.133 0.000 1.373 267 H HN 0.398 nan 8.280 nan 0.000 0.497 268 P HA -0.134 nan 4.420 nan 0.000 0.218 268 P C 1.175 178.498 177.300 0.040 0.000 1.149 268 P CA 1.096 64.252 63.100 0.094 0.000 0.817 268 P CB 0.022 31.697 31.700 -0.043 0.000 0.785 269 L N -1.489 119.799 121.223 0.109 0.000 2.093 269 L HA -0.047 4.293 4.340 -0.000 0.000 0.208 269 L C 2.561 179.571 176.870 0.233 0.000 1.085 269 L CA 1.658 56.613 54.840 0.192 0.000 0.755 269 L CB -1.441 40.770 42.059 0.254 0.000 0.904 269 L HN 0.079 nan 8.230 nan 0.000 0.435 270 G N -0.455 108.474 108.800 0.215 0.000 2.408 270 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.217 270 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.217 270 G C 1.758 176.751 174.900 0.154 0.000 1.150 270 G CA 0.746 45.962 45.100 0.193 0.000 0.776 270 G HN 0.443 nan 8.290 nan 0.000 0.542 271 A N 0.176 123.096 122.820 0.167 0.000 1.897 271 A HA 0.262 4.582 4.320 -0.000 0.000 0.215 271 A C 2.111 179.760 177.584 0.108 0.000 1.181 271 A CA 1.000 53.125 52.037 0.147 0.000 0.620 271 A CB -0.399 18.723 19.000 0.204 0.000 0.821 271 A HN 0.238 nan 8.150 nan 0.000 0.443 272 F N -1.782 118.034 119.950 -0.223 0.000 2.163 272 F HA -0.004 4.523 4.527 -0.001 0.000 0.297 272 F C 1.551 177.032 175.800 -0.533 0.000 1.094 272 F CA 1.206 58.898 58.000 -0.513 0.000 1.290 272 F CB -0.275 38.148 39.000 -0.962 0.000 1.017 272 F HN 0.328 nan 8.300 nan 0.000 0.483 273 Y N -2.092 118.346 120.300 0.229 0.000 2.527 273 Y HA 0.246 4.795 4.550 -0.001 0.000 0.247 273 Y C 0.796 176.756 175.900 0.100 0.000 1.138 273 Y CA -0.657 57.526 58.100 0.138 0.000 1.228 273 Y CB -0.637 37.902 38.460 0.131 0.000 1.252 273 Y HN -0.008 nan 8.280 nan 0.000 0.531 274 N N 0.691 119.513 118.700 0.205 0.000 2.747 274 N HA -0.174 4.566 4.740 -0.000 0.000 0.249 274 N C -0.893 174.712 175.510 0.159 0.000 1.107 274 N CA 1.017 54.155 53.050 0.147 0.000 0.707 274 N CB -1.214 37.338 38.487 0.109 0.000 1.054 274 N HN 0.171 nan 8.380 nan 0.000 0.555 275 T N 1.432 116.108 114.554 0.204 0.000 2.916 275 T HA 0.254 4.604 4.350 -0.000 0.000 0.303 275 T C -2.207 172.574 174.700 0.135 0.000 1.025 275 T CA -0.477 61.722 62.100 0.166 0.000 1.142 275 T CB 0.852 69.835 68.868 0.192 0.000 0.947 275 T HN 0.096 nan 8.240 nan 0.000 0.544 276 P HA 0.059 nan 4.420 nan 0.000 0.264 276 P C 0.587 177.957 177.300 0.116 0.000 1.193 276 P CA 0.019 63.179 63.100 0.099 0.000 0.763 276 P CB 0.437 32.174 31.700 0.062 0.000 0.810 277 H N 3.714 122.808 119.070 0.041 0.000 2.289 277 H HA -0.191 4.364 4.556 -0.000 0.000 0.294 277 H C 2.097 177.400 175.328 -0.041 0.000 1.095 277 H CA 2.761 58.822 56.048 0.022 0.000 1.256 277 H CB -0.714 29.084 29.762 0.060 0.000 1.359 277 H HN 0.544 nan 8.280 nan 0.000 0.487 278 G N -0.516 108.248 108.800 -0.060 0.000 2.422 278 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.218 278 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.218 278 G C 1.886 176.697 174.900 -0.147 0.000 1.146 278 G CA 1.132 46.137 45.100 -0.159 0.000 0.769 278 G HN 0.402 nan 8.290 nan 0.000 0.547 279 V N 1.440 121.309 119.914 -0.076 0.000 2.358 279 V HA -0.102 4.018 4.120 -0.000 0.000 0.246 279 V C 3.304 179.356 176.094 -0.071 0.000 1.047 279 V CA 1.934 64.200 62.300 -0.057 0.000 1.035 279 V CB -0.839 30.973 31.823 -0.018 0.000 0.658 279 V HN 0.474 nan 8.190 nan 0.000 0.452 280 A N 0.562 123.338 122.820 -0.074 0.000 1.865 280 A HA -0.249 4.071 4.320 -0.000 0.000 0.217 280 A C 2.106 179.600 177.584 -0.150 0.000 1.191 280 A CA 2.143 54.141 52.037 -0.066 0.000 0.623 280 A CB -0.751 18.230 19.000 -0.031 0.000 0.826 280 A HN 0.580 nan 8.150 nan 0.000 0.444 281 N N 0.446 118.966 118.700 -0.299 0.000 2.069 281 N HA -0.157 4.583 4.740 -0.000 0.000 0.191 281 N C 1.951 177.331 175.510 -0.216 0.000 1.031 281 N CA 1.674 54.517 53.050 -0.346 0.000 0.852 281 N CB -0.680 37.489 38.487 -0.531 0.000 1.018 281 N HN 0.479 nan 8.380 nan 0.000 0.423 282 A N 1.430 124.142 122.820 -0.181 0.000 1.892 282 A HA -0.127 4.193 4.320 -0.000 0.000 0.218 282 A C 2.364 179.889 177.584 -0.098 0.000 1.188 282 A CA 1.201 53.156 52.037 -0.136 0.000 0.631 282 A CB -0.766 18.171 19.000 -0.105 0.000 0.822 282 A HN 0.253 nan 8.150 nan 0.000 0.447 283 I N -0.731 119.811 120.570 -0.047 0.000 2.252 283 I HA -0.223 3.946 4.170 -0.000 0.000 0.245 283 I C 2.333 178.505 176.117 0.091 0.000 1.102 283 I CA 1.022 62.346 61.300 0.040 0.000 1.385 283 I CB -0.267 37.772 38.000 0.065 0.000 1.064 283 I HN 0.280 nan 8.210 nan 0.000 0.414 284 L N -0.377 120.854 121.223 0.012 0.000 2.095 284 L HA -0.165 4.175 4.340 -0.000 0.000 0.204 284 L C 2.478 179.321 176.870 -0.045 0.000 1.080 284 L CA 0.479 55.327 54.840 0.012 0.000 0.759 284 L CB -0.504 41.508 42.059 -0.079 0.000 0.914 284 L HN 0.217 nan 8.230 nan 0.000 0.439 285 L N 1.468 122.614 121.223 -0.128 0.000 1.997 285 L HA -0.217 4.122 4.340 -0.000 0.000 0.227 285 L C -0.300 176.423 176.870 -0.245 0.000 1.087 285 L CA 2.523 57.259 54.840 -0.174 0.000 0.797 285 L CB -1.706 40.232 42.059 -0.202 0.000 0.902 285 L HN 0.139 nan 8.230 nan 0.000 0.441 286 P HA -0.201 nan 4.420 nan 0.000 0.216 286 P C 1.247 178.264 177.300 -0.471 0.000 1.150 286 P CA 1.892 64.558 63.100 -0.723 0.000 0.837 286 P CB -0.460 30.227 31.700 -1.688 0.000 0.786 287 H N -0.329 118.652 119.070 -0.149 0.000 2.363 287 H HA 0.027 4.583 4.556 -0.001 0.000 0.301 287 H C 1.341 176.694 175.328 0.041 0.000 1.074 287 H CA 0.474 56.531 56.048 0.015 0.000 1.354 287 H CB -0.804 28.982 29.762 0.040 0.000 1.397 287 H HN -0.006 nan 8.280 nan 0.000 0.516 291 Y N 2.245 122.616 120.300 0.118 0.000 2.181 291 Y HA 0.003 4.553 4.550 -0.001 0.000 0.288 291 Y C 1.360 177.337 175.900 0.129 0.000 1.146 291 Y CA 2.266 60.431 58.100 0.108 0.000 1.164 291 Y CB -0.036 38.479 38.460 0.091 0.000 0.982 291 Y HN 0.149 nan 8.280 nan 0.000 0.515 292 N N 0.462 119.243 118.700 0.135 0.000 2.446 292 N HA 0.002 4.742 4.740 -0.000 0.000 0.179 292 N C 1.957 177.437 175.510 -0.051 0.000 1.054 292 N CA 0.827 53.919 53.050 0.069 0.000 0.905 292 N CB -0.493 38.111 38.487 0.195 0.000 0.973 292 N HN 0.497 nan 8.380 nan 0.000 0.448 293 A N 1.995 124.738 122.820 -0.129 0.000 1.916 293 A HA -0.253 4.067 4.320 -0.000 0.000 0.224 293 A C 1.513 178.805 177.584 -0.486 0.000 1.366 293 A CA 2.168 53.947 52.037 -0.429 0.000 0.692 293 A CB -0.789 18.086 19.000 -0.209 0.000 0.841 293 A HN 0.216 nan 8.150 nan 0.000 0.480 294 D N -1.659 118.450 120.400 -0.486 0.000 2.392 294 D HA 0.014 4.654 4.640 -0.000 0.000 0.228 294 D C -0.046 175.703 176.300 -0.919 0.000 1.003 294 D CA 0.699 54.275 54.000 -0.707 0.000 0.917 294 D CB -0.206 40.084 40.800 -0.849 0.000 0.890 294 D HN 0.520 nan 8.370 nan 0.000 0.532 295 F N -0.385 119.442 119.950 -0.205 0.000 2.835 295 F HA 0.137 4.663 4.527 -0.001 0.000 0.342 295 F C 1.220 176.928 175.800 -0.152 0.000 1.202 295 F CA -0.329 57.578 58.000 -0.155 0.000 1.240 295 F CB 0.352 39.270 39.000 -0.135 0.000 1.005 295 F HN -0.191 nan 8.300 nan 0.000 0.507 296 T N -3.469 111.007 114.554 -0.130 0.000 3.170 296 T HA 0.520 4.869 4.350 -0.000 0.000 0.288 296 T C 1.367 175.991 174.700 -0.128 0.000 0.992 296 T CA 0.162 62.183 62.100 -0.132 0.000 0.909 296 T CB 0.070 68.780 68.868 -0.264 0.000 1.133 296 T HN 0.427 nan 8.240 nan 0.000 0.530 297 G N 2.789 111.515 108.800 -0.124 0.000 2.660 297 G HA2 -0.337 3.622 3.960 -0.000 0.000 0.321 297 G HA3 -0.337 3.622 3.960 -0.000 0.000 0.321 297 G C 0.587 175.440 174.900 -0.078 0.000 1.246 297 G CA 0.636 45.682 45.100 -0.090 0.000 1.000 297 G HN 0.460 nan 8.290 nan 0.000 0.550 298 E N 0.922 121.105 120.200 -0.029 0.000 2.474 298 E HA 0.108 4.457 4.350 -0.000 0.000 0.195 298 E C 2.318 178.970 176.600 0.087 0.000 1.039 298 E CA 0.255 56.665 56.400 0.016 0.000 0.881 298 E CB 0.275 29.988 29.700 0.023 0.000 0.970 298 E HN 0.635 nan 8.360 nan 0.000 0.486 299 K N 0.152 120.609 120.400 0.095 0.000 2.152 299 K HA -0.152 4.168 4.320 -0.000 0.000 0.206 299 K C 1.502 178.358 176.600 0.426 0.000 1.048 299 K CA 1.068 57.507 56.287 0.252 0.000 0.933 299 K CB -0.102 32.446 32.500 0.079 0.000 0.721 299 K HN 0.112 nan 8.250 nan 0.000 0.447 300 Y N 1.017 121.369 120.300 0.087 0.000 2.421 300 Y HA -0.092 4.458 4.550 -0.000 0.000 0.292 300 Y C 2.303 178.234 175.900 0.052 0.000 1.136 300 Y CA 0.573 58.713 58.100 0.066 0.000 1.255 300 Y CB -0.388 38.089 38.460 0.028 0.000 0.991 300 Y HN 0.046 nan 8.280 nan 0.000 0.552 301 R N 0.368 120.994 120.500 0.209 0.000 2.092 301 R HA -0.128 4.212 4.340 -0.000 0.000 0.231 301 R C 1.442 177.801 176.300 0.099 0.000 1.119 301 R CA 1.683 57.855 56.100 0.121 0.000 0.970 301 R CB -0.046 30.306 30.300 0.087 0.000 0.864 301 R HN 0.222 nan 8.270 nan 0.000 0.440 302 D N 0.615 121.098 120.400 0.138 0.000 2.117 302 D HA -0.144 4.496 4.640 -0.000 0.000 0.198 302 D C 2.010 178.322 176.300 0.020 0.000 0.982 302 D CA 1.221 55.280 54.000 0.098 0.000 0.828 302 D CB -0.157 40.757 40.800 0.189 0.000 0.967 302 D HN 0.332 nan 8.370 nan 0.000 0.464 303 I N 1.552 122.140 120.570 0.030 0.000 2.142 303 I HA -0.260 3.909 4.170 -0.000 0.000 0.240 303 I C 2.618 178.698 176.117 -0.061 0.000 1.078 303 I CA 1.098 62.357 61.300 -0.068 0.000 1.343 303 I CB -0.339 37.596 38.000 -0.109 0.000 1.046 303 I HN -0.082 nan 8.210 nan 0.000 0.405 304 A N 0.880 123.685 122.820 -0.026 0.000 1.908 304 A HA -0.280 4.040 4.320 -0.000 0.000 0.218 304 A C 2.436 180.010 177.584 -0.016 0.000 1.181 304 A CA 2.107 54.132 52.037 -0.020 0.000 0.627 304 A CB -0.743 18.265 19.000 0.013 0.000 0.818 304 A HN 0.390 nan 8.150 nan 0.000 0.445 305 R N 0.012 120.509 120.500 -0.005 0.000 2.080 305 R HA -0.072 4.268 4.340 -0.000 0.000 0.236 305 R C 1.269 177.556 176.300 -0.022 0.000 1.137 305 R CA 1.652 57.748 56.100 -0.007 0.000 0.943 305 R CB -0.862 29.440 30.300 0.003 0.000 0.846 305 R HN 0.499 nan 8.270 nan 0.000 0.431 309 V N 2.868 122.776 119.914 -0.010 0.000 2.488 309 V HA 0.317 4.436 4.120 -0.000 0.000 0.277 309 V C -0.059 176.035 176.094 0.001 0.000 1.046 309 V CA -0.545 61.754 62.300 -0.003 0.000 0.986 309 V CB 1.408 33.231 31.823 0.000 0.000 0.989 309 V HN 0.069 nan 8.190 nan 0.000 0.475 310 K N 4.593 124.995 120.400 0.003 0.000 2.171 310 K HA 0.128 4.448 4.320 -0.000 0.000 0.274 310 K C 0.820 177.425 176.600 0.008 0.000 1.110 310 K CA -0.084 56.205 56.287 0.004 0.000 0.952 310 K CB 0.867 33.369 32.500 0.003 0.000 1.309 310 K HN 0.697 nan 8.250 nan 0.000 0.414 311 V N -0.178 119.743 119.914 0.011 0.000 3.510 311 V HA -0.093 4.026 4.120 -0.000 0.000 0.270 311 V C 1.439 177.542 176.094 0.014 0.000 1.201 311 V CA 0.460 62.770 62.300 0.016 0.000 1.166 311 V CB -0.793 31.044 31.823 0.023 0.000 0.825 311 V HN 0.541 nan 8.190 nan 0.000 0.484 312 E N 1.928 122.134 120.200 0.010 0.000 2.257 312 E HA -0.199 4.150 4.350 -0.000 0.000 0.229 312 E C 1.301 177.905 176.600 0.008 0.000 1.089 312 E CA 1.855 58.260 56.400 0.008 0.000 0.947 312 E CB -0.342 29.362 29.700 0.006 0.000 0.808 312 E HN 0.790 nan 8.360 nan 0.000 0.471 316 L N 1.565 122.786 121.223 -0.004 0.000 2.042 316 L HA 0.095 4.435 4.340 -0.000 0.000 0.210 316 L C 2.496 179.361 176.870 -0.008 0.000 1.076 316 L CA 2.682 57.518 54.840 -0.008 0.000 0.749 316 L CB -0.918 41.123 42.059 -0.030 0.000 0.893 316 L HN 0.983 nan 8.230 nan 0.000 0.432 317 E N -0.623 119.568 120.200 -0.016 0.000 2.077 317 E HA -0.259 4.091 4.350 -0.000 0.000 0.193 317 E C 1.944 178.552 176.600 0.014 0.000 0.989 317 E CA 1.616 58.008 56.400 -0.014 0.000 0.800 317 E CB -0.069 29.620 29.700 -0.018 0.000 0.746 317 E HN 0.680 nan 8.360 nan 0.000 0.452 318 E N -0.029 120.181 120.200 0.017 0.000 2.107 318 E HA -0.124 4.226 4.350 -0.000 0.000 0.191 318 E C 2.038 178.664 176.600 0.043 0.000 0.982 318 E CA 0.698 57.115 56.400 0.028 0.000 0.809 318 E CB -0.073 29.639 29.700 0.020 0.000 0.756 318 E HN 0.326 nan 8.360 nan 0.000 0.459 319 A N 1.628 124.475 122.820 0.045 0.000 1.902 319 A HA -0.189 4.130 4.320 -0.000 0.000 0.217 319 A C 2.075 179.726 177.584 0.111 0.000 1.181 319 A CA 1.261 53.337 52.037 0.065 0.000 0.623 319 A CB -0.352 18.685 19.000 0.062 0.000 0.818 319 A HN 0.061 nan 8.150 nan 0.000 0.443 320 R N -0.281 120.294 120.500 0.125 0.000 2.092 320 R HA -0.087 4.252 4.340 -0.000 0.000 0.231 320 R C 1.793 178.219 176.300 0.210 0.000 1.119 320 R CA 1.389 57.632 56.100 0.238 0.000 0.970 320 R CB -0.309 30.047 30.300 0.092 0.000 0.864 320 R HN 0.530 nan 8.270 nan 0.000 0.440 321 N N 0.789 119.560 118.700 0.119 0.000 2.188 321 N HA -0.111 4.628 4.740 -0.000 0.000 0.184 321 N C 1.674 177.237 175.510 0.088 0.000 1.018 321 N CA 1.379 54.491 53.050 0.103 0.000 0.858 321 N CB -0.257 38.274 38.487 0.073 0.000 0.989 321 N HN 0.200 nan 8.380 nan 0.000 0.426 322 A N 1.223 124.085 122.820 0.070 0.000 1.902 322 A HA 0.017 4.337 4.320 -0.000 0.000 0.217 322 A C 2.405 180.003 177.584 0.024 0.000 1.181 322 A CA 1.884 53.949 52.037 0.046 0.000 0.623 322 A CB -0.782 18.241 19.000 0.037 0.000 0.818 322 A HN 0.313 nan 8.150 nan 0.000 0.443 323 A N -0.536 122.294 122.820 0.017 0.000 1.877 323 A HA -0.026 4.294 4.320 -0.000 0.000 0.216 323 A C 2.240 179.750 177.584 -0.124 0.000 1.186 323 A CA 1.865 53.855 52.037 -0.078 0.000 0.620 323 A CB -1.008 17.897 19.000 -0.158 0.000 0.822 323 A HN 0.406 nan 8.150 nan 0.000 0.443 324 V N 0.141 120.012 119.914 -0.072 0.000 2.343 324 V HA -0.243 3.877 4.120 -0.000 0.000 0.247 324 V C 2.634 178.712 176.094 -0.027 0.000 1.051 324 V CA 2.452 64.690 62.300 -0.102 0.000 1.036 324 V CB -0.730 31.105 31.823 0.019 0.000 0.654 324 V HN 0.730 nan 8.190 nan 0.000 0.451 325 E N 0.890 121.155 120.200 0.109 0.000 2.110 325 E HA -0.159 4.191 4.350 -0.000 0.000 0.193 325 E C 2.092 178.754 176.600 0.103 0.000 0.988 325 E CA 1.578 58.094 56.400 0.194 0.000 0.804 325 E CB -0.499 29.274 29.700 0.121 0.000 0.745 325 E HN 0.506 nan 8.360 nan 0.000 0.458 326 A N -0.001 122.829 122.820 0.017 0.000 1.933 326 A HA -0.136 4.184 4.320 -0.000 0.000 0.218 326 A C 2.464 180.023 177.584 -0.042 0.000 1.175 326 A CA 1.654 53.682 52.037 -0.015 0.000 0.628 326 A CB -0.628 18.347 19.000 -0.043 0.000 0.814 326 A HN 0.209 nan 8.150 nan 0.000 0.444 327 V N -1.567 118.284 119.914 -0.105 0.000 2.379 327 V HA -0.182 3.938 4.120 -0.000 0.000 0.245 327 V C 2.243 178.259 176.094 -0.130 0.000 1.044 327 V CA 1.698 63.895 62.300 -0.173 0.000 1.036 327 V CB -0.896 30.747 31.823 -0.302 0.000 0.664 327 V HN 0.610 nan 8.190 nan 0.000 0.453 328 F N 0.634 120.526 119.950 -0.096 0.000 2.126 328 F HA -0.212 4.314 4.527 -0.000 0.000 0.299 328 F C 2.488 178.246 175.800 -0.071 0.000 1.096 328 F CA 1.338 59.284 58.000 -0.091 0.000 1.255 328 F CB -0.416 38.534 39.000 -0.084 0.000 0.997 328 F HN 0.129 nan 8.300 nan 0.000 0.479 329 A N -0.081 122.824 122.820 0.142 0.000 1.877 329 A HA -0.203 4.116 4.320 -0.000 0.000 0.216 329 A C 2.005 179.602 177.584 0.021 0.000 1.186 329 A CA 1.604 53.676 52.037 0.058 0.000 0.620 329 A CB -1.064 17.957 19.000 0.035 0.000 0.822 329 A HN 0.362 nan 8.150 nan 0.000 0.443 330 L N 0.561 121.783 121.223 -0.001 0.000 2.012 330 L HA -0.193 4.147 4.340 -0.000 0.000 0.210 330 L C 1.843 178.700 176.870 -0.022 0.000 1.073 330 L CA 2.389 57.216 54.840 -0.022 0.000 0.748 330 L CB -0.871 41.161 42.059 -0.045 0.000 0.891 330 L HN 0.342 nan 8.230 nan 0.000 0.431 331 N N -0.060 118.628 118.700 -0.020 0.000 2.149 331 N HA -0.179 4.561 4.740 -0.000 0.000 0.188 331 N C 1.949 177.453 175.510 -0.011 0.000 1.019 331 N CA 1.450 54.487 53.050 -0.021 0.000 0.857 331 N CB -0.274 38.204 38.487 -0.015 0.000 0.997 331 N HN 0.441 nan 8.380 nan 0.000 0.426 332 R N 0.479 120.982 120.500 0.005 0.000 2.075 332 R HA -0.044 4.296 4.340 -0.000 0.000 0.232 332 R C 1.151 177.441 176.300 -0.017 0.000 1.126 332 R CA 1.083 57.177 56.100 -0.010 0.000 0.963 332 R CB -0.125 30.172 30.300 -0.006 0.000 0.858 332 R HN 0.208 nan 8.270 nan 0.000 0.435 333 D N 0.163 120.556 120.400 -0.012 0.000 2.178 333 D HA -0.113 4.527 4.640 -0.000 0.000 0.201 333 D C 1.620 177.910 176.300 -0.017 0.000 0.980 333 D CA 1.187 55.178 54.000 -0.015 0.000 0.842 333 D CB 0.096 40.888 40.800 -0.013 0.000 0.948 333 D HN 0.215 nan 8.370 nan 0.000 0.472 334 V N -3.435 116.467 119.914 -0.020 0.000 3.514 334 V HA 0.506 4.625 4.120 -0.000 0.000 0.301 334 V C 1.273 177.354 176.094 -0.023 0.000 1.346 334 V CA 0.269 62.557 62.300 -0.021 0.000 1.156 334 V CB -0.159 31.650 31.823 -0.023 0.000 1.029 334 V HN 0.164 nan 8.190 nan 0.000 0.428 335 G N 1.156 109.941 108.800 -0.026 0.000 2.198 335 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.257 335 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.257 335 G C -0.105 174.774 174.900 -0.035 0.000 1.042 335 G CA 0.497 45.579 45.100 -0.030 0.000 0.791 335 G HN 0.647 nan 8.290 nan 0.000 0.502 336 I N 0.810 121.358 120.570 -0.037 0.000 2.396 336 I HA 0.274 4.444 4.170 -0.000 0.000 0.292 336 I C -1.626 174.459 176.117 -0.054 0.000 0.999 336 I CA -2.381 58.894 61.300 -0.042 0.000 1.310 336 I CB 1.213 39.188 38.000 -0.042 0.000 1.404 336 I HN -0.118 nan 8.210 nan 0.000 0.496 337 P HA 0.024 nan 4.420 nan 0.000 0.266 337 P C -1.996 175.242 177.300 -0.103 0.000 1.195 337 P CA -0.761 62.284 63.100 -0.093 0.000 0.768 337 P CB 0.099 31.751 31.700 -0.079 0.000 0.838 338 P HA -0.029 nan 4.420 nan 0.000 0.235 338 P C -0.372 176.872 177.300 -0.093 0.000 1.177 338 P CA 0.956 63.936 63.100 -0.199 0.000 0.785 338 P CB 0.402 31.864 31.700 -0.397 0.000 0.885 339 H N -1.026 118.033 119.070 -0.020 0.000 2.572 339 H HA 0.315 4.871 4.556 -0.000 0.000 0.359 339 H C 1.232 176.483 175.328 -0.129 0.000 1.134 339 H CA -1.030 54.972 56.048 -0.077 0.000 1.187 339 H CB 2.391 32.045 29.762 -0.180 0.000 1.597 339 H HN -0.262 nan 8.280 nan 0.000 0.524 340 L N 1.030 122.272 121.223 0.032 0.000 2.191 340 L HA -0.144 4.195 4.340 -0.000 0.000 0.212 340 L C 2.638 179.388 176.870 -0.202 0.000 1.103 340 L CA 1.152 55.989 54.840 -0.005 0.000 0.769 340 L CB -0.246 41.906 42.059 0.156 0.000 0.908 340 L HN 0.622 nan 8.230 nan 0.000 0.438 341 R N 0.286 120.440 120.500 -0.576 0.000 2.120 341 R HA -0.165 4.175 4.340 -0.000 0.000 0.234 341 R C 1.584 177.649 176.300 -0.392 0.000 1.123 341 R CA 1.456 57.023 56.100 -0.889 0.000 0.975 341 R CB -0.069 29.356 30.300 -1.459 0.000 0.866 341 R HN 0.368 nan 8.270 nan 0.000 0.446 342 D N -0.001 120.251 120.400 -0.246 0.000 2.219 342 D HA -0.111 4.529 4.640 -0.000 0.000 0.205 342 D C 1.384 177.614 176.300 -0.116 0.000 0.970 342 D CA 1.212 55.123 54.000 -0.147 0.000 0.851 342 D CB 0.221 40.956 40.800 -0.107 0.000 0.943 342 D HN 0.289 nan 8.370 nan 0.000 0.488 343 V N -3.470 116.374 119.914 -0.116 0.000 3.177 343 V HA 0.622 4.742 4.120 -0.000 0.000 0.342 343 V C 1.124 177.142 176.094 -0.127 0.000 1.379 343 V CA 0.167 62.415 62.300 -0.087 0.000 1.191 343 V CB 0.068 31.863 31.823 -0.046 0.000 1.167 343 V HN 0.161 nan 8.190 nan 0.000 0.471 344 G N -0.117 108.580 108.800 -0.173 0.000 2.132 344 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.234 344 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.234 344 G C -0.026 174.537 174.900 -0.561 0.000 0.989 344 G CA 0.004 44.956 45.100 -0.247 0.000 0.676 344 G HN 0.789 nan 8.290 nan 0.000 0.522 345 V N 0.247 119.897 119.914 -0.439 0.000 2.785 345 V HA 0.647 4.767 4.120 -0.000 0.000 0.300 345 V C 0.890 177.023 176.094 0.066 0.000 1.062 345 V CA -0.383 61.620 62.300 -0.496 0.000 1.029 345 V CB 1.492 33.304 31.823 -0.018 0.000 1.024 345 V HN 0.387 nan 8.190 nan 0.000 0.477 346 R N 2.095 122.654 120.500 0.098 0.000 2.534 346 R HA 0.392 4.731 4.340 -0.000 0.000 0.301 346 R C 0.638 176.827 176.300 -0.185 0.000 0.961 346 R CA -0.760 55.399 56.100 0.098 0.000 0.871 346 R CB 1.817 32.201 30.300 0.140 0.000 1.170 346 R HN 0.574 nan 8.270 nan 0.000 0.446 347 K N 1.507 121.537 120.400 -0.618 0.000 2.152 347 K HA -0.205 4.115 4.320 -0.000 0.000 0.206 347 K C 0.814 177.196 176.600 -0.363 0.000 1.048 347 K CA 1.647 57.473 56.287 -0.770 0.000 0.933 347 K CB 0.236 32.167 32.500 -0.947 0.000 0.721 347 K HN 0.485 nan 8.250 nan 0.000 0.447 348 E N 0.690 120.773 120.200 -0.195 0.000 2.265 348 E HA -0.149 4.200 4.350 -0.000 0.000 0.196 348 E C 1.078 177.643 176.600 -0.058 0.000 0.996 348 E CA 0.993 57.339 56.400 -0.090 0.000 0.832 348 E CB 0.053 29.735 29.700 -0.029 0.000 0.756 348 E HN 0.240 nan 8.360 nan 0.000 0.491 349 D N -0.234 120.135 120.400 -0.051 0.000 2.349 349 D HA 0.043 4.683 4.640 -0.000 0.000 0.215 349 D C 1.688 177.856 176.300 -0.220 0.000 1.016 349 D CA 0.149 54.135 54.000 -0.024 0.000 0.870 349 D CB 0.140 41.018 40.800 0.130 0.000 0.917 349 D HN 0.230 nan 8.370 nan 0.000 0.524 350 I N 1.627 122.017 120.570 -0.300 0.000 2.151 350 I HA -0.245 3.925 4.170 -0.000 0.000 0.243 350 I C -0.584 175.379 176.117 -0.256 0.000 1.080 350 I CA 1.438 62.489 61.300 -0.415 0.000 1.339 350 I CB -1.360 36.362 38.000 -0.462 0.000 1.039 350 I HN -0.008 nan 8.210 nan 0.000 0.409 351 P HA -0.172 nan 4.420 nan 0.000 0.215 351 P C 1.450 178.715 177.300 -0.058 0.000 1.153 351 P CA 1.867 64.937 63.100 -0.050 0.000 0.853 351 P CB -0.006 31.685 31.700 -0.015 0.000 0.788 352 A N -0.872 121.905 122.820 -0.072 0.000 1.897 352 A HA -0.120 4.199 4.320 -0.000 0.000 0.215 352 A C 2.185 179.662 177.584 -0.178 0.000 1.181 352 A CA 1.234 53.255 52.037 -0.027 0.000 0.620 352 A CB -1.578 17.504 19.000 0.137 0.000 0.821 352 A HN 0.092 nan 8.150 nan 0.000 0.443 353 L N -0.683 120.268 121.223 -0.453 0.000 2.046 353 L HA -0.194 4.145 4.340 -0.000 0.000 0.208 353 L C 3.093 179.860 176.870 -0.172 0.000 1.077 353 L CA 1.079 55.549 54.840 -0.616 0.000 0.747 353 L CB -0.550 40.883 42.059 -1.043 0.000 0.896 353 L HN 0.433 nan 8.230 nan 0.000 0.432 354 A N -0.446 122.341 122.820 -0.055 0.000 1.902 354 A HA -0.280 4.040 4.320 -0.000 0.000 0.217 354 A C 2.215 179.848 177.584 0.082 0.000 1.181 354 A CA 1.885 54.022 52.037 0.167 0.000 0.623 354 A CB -0.497 18.585 19.000 0.136 0.000 0.818 354 A HN 0.399 nan 8.150 nan 0.000 0.443 355 Q N -0.080 119.739 119.800 0.033 0.000 2.079 355 Q HA 0.009 4.349 4.340 -0.000 0.000 0.200 355 Q C 2.029 178.060 176.000 0.053 0.000 0.974 355 Q CA 2.104 57.932 55.803 0.040 0.000 0.840 355 Q CB -0.639 28.121 28.738 0.036 0.000 0.898 355 Q HN 0.537 nan 8.270 nan 0.000 0.430 356 A N 0.292 123.140 122.820 0.047 0.000 1.902 356 A HA -0.036 4.284 4.320 -0.000 0.000 0.217 356 A C 2.291 179.929 177.584 0.091 0.000 1.181 356 A CA 1.882 53.964 52.037 0.075 0.000 0.623 356 A CB -1.166 17.874 19.000 0.067 0.000 0.818 356 A HN 0.514 nan 8.150 nan 0.000 0.443 357 A N -0.600 122.276 122.820 0.094 0.000 1.933 357 A HA -0.025 4.295 4.320 -0.000 0.000 0.218 357 A C 2.100 179.725 177.584 0.068 0.000 1.175 357 A CA 1.659 53.754 52.037 0.097 0.000 0.628 357 A CB -0.572 18.497 19.000 0.114 0.000 0.814 357 A HN 0.693 nan 8.150 nan 0.000 0.444 358 L N -0.226 121.033 121.223 0.060 0.000 2.131 358 L HA -0.115 4.225 4.340 -0.000 0.000 0.210 358 L C 0.802 177.703 176.870 0.052 0.000 1.092 358 L CA 2.161 57.029 54.840 0.046 0.000 0.759 358 L CB -0.315 41.769 42.059 0.041 0.000 0.903 358 L HN 0.313 nan 8.230 nan 0.000 0.435 359 D N -0.740 119.698 120.400 0.064 0.000 2.349 359 D HA -0.006 4.634 4.640 -0.000 0.000 0.214 359 D C 0.226 176.578 176.300 0.086 0.000 1.063 359 D CA 0.121 54.161 54.000 0.066 0.000 0.847 359 D CB -0.110 40.728 40.800 0.064 0.000 0.933 359 D HN 0.483 nan 8.370 nan 0.000 0.513 360 D N 0.901 121.363 120.400 0.104 0.000 2.382 360 D HA -0.026 4.614 4.640 -0.000 0.000 0.245 360 D C 1.670 178.045 176.300 0.125 0.000 1.120 360 D CA -0.319 53.768 54.000 0.144 0.000 0.890 360 D CB 2.196 43.108 40.800 0.187 0.000 1.201 360 D HN -0.225 nan 8.370 nan 0.000 0.433 361 V N 3.560 123.557 119.914 0.137 0.000 2.317 361 V HA -0.342 3.778 4.120 -0.000 0.000 0.251 361 V C 2.495 178.649 176.094 0.101 0.000 1.065 361 V CA 1.558 63.921 62.300 0.106 0.000 1.049 361 V CB -0.579 31.303 31.823 0.099 0.000 0.651 361 V HN 0.746 nan 8.190 nan 0.000 0.450 362 C N -0.447 118.933 119.300 0.133 0.000 2.432 362 C HA -0.101 4.359 4.460 -0.000 0.000 0.280 362 C C 2.904 177.935 174.990 0.068 0.000 1.353 362 C CA 1.161 60.239 59.018 0.100 0.000 1.766 362 C CB -1.427 26.381 27.740 0.113 0.000 1.924 362 C HN 0.632 nan 8.230 nan 0.000 0.509 363 T N 1.101 115.695 114.554 0.067 0.000 2.759 363 T HA -0.108 4.241 4.350 -0.000 0.000 0.269 363 T C 2.016 176.741 174.700 0.042 0.000 1.042 363 T CA 1.857 63.985 62.100 0.047 0.000 1.140 363 T CB -0.560 68.334 68.868 0.044 0.000 0.864 363 T HN 0.706 nan 8.240 nan 0.000 0.455 364 G N 0.658 109.483 108.800 0.042 0.000 2.479 364 G HA2 -0.031 3.928 3.960 -0.000 0.000 0.220 364 G HA3 -0.031 3.928 3.960 -0.000 0.000 0.220 364 G C 1.518 176.434 174.900 0.026 0.000 1.115 364 G CA 0.806 45.924 45.100 0.030 0.000 0.757 364 G HN 0.587 nan 8.290 nan 0.000 0.560 365 G N -0.151 108.670 108.800 0.035 0.000 2.813 365 G HA2 -0.019 3.941 3.960 -0.000 0.000 0.209 365 G HA3 -0.019 3.941 3.960 -0.000 0.000 0.209 365 G C 0.655 175.574 174.900 0.032 0.000 1.150 365 G CA -0.265 44.856 45.100 0.035 0.000 0.785 365 G HN 0.425 nan 8.290 nan 0.000 0.535 366 N N 1.375 120.097 118.700 0.036 0.000 2.412 366 N HA 0.088 4.828 4.740 -0.000 0.000 0.258 366 N C -0.747 174.774 175.510 0.019 0.000 1.236 366 N CA -1.215 51.864 53.050 0.049 0.000 0.882 366 N CB 1.463 39.997 38.487 0.078 0.000 1.066 366 N HN -0.067 nan 8.380 nan 0.000 0.465 367 P HA -0.155 nan 4.420 nan 0.000 0.225 367 P C -0.306 176.905 177.300 -0.148 0.000 1.148 367 P CA 1.061 64.152 63.100 -0.015 0.000 0.779 367 P CB 0.269 32.000 31.700 0.052 0.000 0.780 368 R N 0.867 121.283 120.500 -0.141 0.000 2.437 368 R HA 0.234 4.573 4.340 -0.000 0.000 0.310 368 R C -0.303 175.909 176.300 -0.148 0.000 0.955 368 R CA -0.660 55.227 56.100 -0.354 0.000 0.851 368 R CB 1.073 31.175 30.300 -0.331 0.000 1.161 368 R HN -0.169 nan 8.270 nan 0.000 0.446 369 E N 3.348 123.426 120.200 -0.204 0.000 2.292 369 E HA 0.121 4.471 4.350 -0.000 0.000 0.265 369 E C -1.039 175.580 176.600 0.031 0.000 1.093 369 E CA -0.106 56.250 56.400 -0.072 0.000 0.922 369 E CB 0.697 30.340 29.700 -0.095 0.000 1.001 369 E HN 0.609 nan 8.360 nan 0.000 0.444 370 A N 4.283 127.159 122.820 0.093 0.000 2.301 370 A HA 0.369 4.688 4.320 -0.000 0.000 0.298 370 A C 0.231 177.858 177.584 0.071 0.000 1.185 370 A CA -0.436 51.687 52.037 0.144 0.000 0.830 370 A CB 0.873 19.933 19.000 0.100 0.000 1.112 370 A HN 0.724 nan 8.150 nan 0.000 0.508 371 T N 0.310 114.909 114.554 0.076 0.000 2.912 371 T HA 0.403 4.752 4.350 -0.000 0.000 0.280 371 T C 1.073 175.792 174.700 0.032 0.000 0.989 371 T CA -0.389 61.739 62.100 0.047 0.000 0.995 371 T CB 0.733 69.632 68.868 0.052 0.000 1.077 371 T HN 0.605 nan 8.240 nan 0.000 0.531 372 L N 0.821 122.062 121.223 0.031 0.000 2.012 372 L HA -0.011 4.329 4.340 -0.000 0.000 0.210 372 L C 2.402 179.292 176.870 0.033 0.000 1.073 372 L CA 1.991 56.850 54.840 0.031 0.000 0.748 372 L CB -1.159 40.919 42.059 0.032 0.000 0.891 372 L HN 0.790 nan 8.230 nan 0.000 0.431 373 E N -0.000 120.221 120.200 0.035 0.000 2.118 373 E HA -0.205 4.144 4.350 -0.000 0.000 0.195 373 E C 1.942 178.563 176.600 0.035 0.000 0.992 373 E CA 1.425 57.848 56.400 0.039 0.000 0.804 373 E CB -0.443 29.280 29.700 0.038 0.000 0.741 373 E HN 0.549 nan 8.360 nan 0.000 0.458 374 D N 0.006 120.423 120.400 0.029 0.000 2.117 374 D HA -0.112 4.527 4.640 -0.000 0.000 0.197 374 D C 1.997 178.219 176.300 -0.129 0.000 0.987 374 D CA 0.852 54.847 54.000 -0.008 0.000 0.829 374 D CB -0.174 40.656 40.800 0.050 0.000 0.961 374 D HN 0.224 nan 8.370 nan 0.000 0.460 375 I N 0.481 120.988 120.570 -0.105 0.000 2.315 375 I HA -0.195 3.975 4.170 -0.000 0.000 0.248 375 I C 2.405 178.519 176.117 -0.006 0.000 1.117 375 I CA 0.434 61.652 61.300 -0.138 0.000 1.404 375 I CB -0.109 37.852 38.000 -0.065 0.000 1.071 375 I HN -0.121 nan 8.210 nan 0.000 0.419 376 V N 0.959 120.925 119.914 0.086 0.000 2.295 376 V HA -0.283 3.837 4.120 -0.000 0.000 0.246 376 V C 2.577 178.800 176.094 0.215 0.000 1.049 376 V CA 2.214 64.621 62.300 0.180 0.000 1.024 376 V CB -0.619 31.291 31.823 0.145 0.000 0.648 376 V HN 0.435 nan 8.190 nan 0.000 0.447 377 E N 0.505 120.773 120.200 0.114 0.000 2.110 377 E HA -0.206 4.143 4.350 -0.000 0.000 0.193 377 E C 1.995 178.630 176.600 0.059 0.000 0.988 377 E CA 1.575 58.033 56.400 0.097 0.000 0.804 377 E CB -0.457 29.270 29.700 0.046 0.000 0.745 377 E HN 0.565 nan 8.360 nan 0.000 0.458 378 L N -0.712 120.474 121.223 -0.061 0.000 2.093 378 L HA -0.147 4.193 4.340 -0.000 0.000 0.208 378 L C 2.227 179.024 176.870 -0.121 0.000 1.085 378 L CA 1.234 55.984 54.840 -0.150 0.000 0.755 378 L CB -0.439 41.421 42.059 -0.332 0.000 0.904 378 L HN 0.241 nan 8.230 nan 0.000 0.435 379 Y N -1.037 119.220 120.300 -0.071 0.000 2.181 379 Y HA -0.275 4.275 4.550 -0.001 0.000 0.288 379 Y C 2.860 178.708 175.900 -0.086 0.000 1.146 379 Y CA 1.218 59.261 58.100 -0.095 0.000 1.164 379 Y CB -0.163 38.201 38.460 -0.160 0.000 0.982 379 Y HN 0.199 nan 8.280 nan 0.000 0.515 380 H N -1.038 118.103 119.070 0.118 0.000 2.387 380 H HA -0.132 4.424 4.556 -0.000 0.000 0.299 380 H C 2.149 177.522 175.328 0.074 0.000 1.090 380 H CA 1.894 57.975 56.048 0.056 0.000 1.332 380 H CB -0.373 29.381 29.762 -0.013 0.000 1.386 380 H HN 0.323 nan 8.280 nan 0.000 0.516 381 T N 0.486 115.100 114.554 0.099 0.000 2.821 381 T HA -0.036 4.314 4.350 -0.000 0.000 0.267 381 T C 2.169 176.723 174.700 -0.242 0.000 1.046 381 T CA 1.009 63.080 62.100 -0.049 0.000 1.139 381 T CB -0.225 68.588 68.868 -0.092 0.000 0.871 381 T HN 0.410 nan 8.240 nan 0.000 0.454 382 A N 0.729 123.404 122.820 -0.243 0.000 2.167 382 A HA 0.033 4.353 4.320 -0.000 0.000 0.214 382 A C 1.972 179.597 177.584 0.068 0.000 1.151 382 A CA 0.307 52.220 52.037 -0.207 0.000 0.735 382 A CB -0.887 18.082 19.000 -0.051 0.000 0.802 382 A HN 0.744 nan 8.150 nan 0.000 0.467 383 W N 0.721 121.971 121.300 -0.082 0.000 2.315 383 W HA -0.163 4.497 4.660 -0.001 0.000 0.323 383 W C 0.517 176.964 176.519 -0.119 0.000 1.233 383 W CA 1.957 59.263 57.345 -0.065 0.000 1.267 383 W CB 0.052 29.474 29.460 -0.064 0.000 1.160 383 W HN 0.419 nan 8.180 nan 0.000 0.474 384 E N -1.609 118.419 120.200 -0.287 0.000 3.029 384 E HA 0.234 4.584 4.350 -0.000 0.000 0.196 384 E C 0.575 176.665 176.600 -0.851 0.000 0.973 384 E CA 0.378 56.297 56.400 -0.802 0.000 1.242 384 E CB 0.708 30.112 29.700 -0.494 0.000 1.056 384 E HN 0.380 nan 8.360 nan 0.000 0.469 385 G N 0.739 109.297 108.800 -0.403 0.000 2.254 385 G HA2 -0.231 3.728 3.960 -0.000 0.000 0.225 385 G HA3 -0.231 3.728 3.960 -0.000 0.000 0.225 385 G C 0.722 175.630 174.900 0.013 0.000 1.003 385 G CA -0.213 44.848 45.100 -0.065 0.000 0.622 385 G HN 0.871 nan 8.290 nan 0.000 0.507 386 G N 0.000 108.792 108.800 -0.014 0.000 5.446 386 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 386 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 386 G CA 0.000 45.123 45.100 0.038 0.000 0.502 386 G HN 0.000 nan 8.290 nan 0.000 0.925