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 2i6y_1_A DATA FIRST_RESID 17 DATA SEQUENCE SIPMPAGVNP ADLAAELAAV VTESVDEDYL LYECDGQWVL AAGVQAMVEL DATA SEQUENCE DSDELRVIRD GVTRRQQWSG RPGAALGEAV DRLLLETDQA FGWVAFEFGV DATA SEQUENCE HRYGLQQRLA PHTPLARVFS PRTRIMVSEK EIRLFDAGIR HREAIDRLLA DATA SEQUENCE TGVREVPQSR SVDVSDDPSG FRRRVAVAVD EIAAGRYHKV ILSRCVEVPF DATA SEQUENCE AIDFPLTYRL GRRHNTPVRS FLLQLGGIRA LGYSPELVTA VRADGVVITE DATA SEQUENCE PLAGTRALGX XXXXXXXXXX DLESNSKEIV EHAISVRSSL EEITDIAEPG DATA SEQUENCE SAAVIDFMTV RXXXSVQHLG STIRARLDPS SDRMAALEAL FPAVTASGIP DATA SEQUENCE KAAGVEAIFR LDECPRGLYS GAVVMLSADG GLDAALTLRA AYQVGGRTWL DATA SEQUENCE RAGAGIIEES EPEREFEETC EKLSTLTPYL VAR 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 17 S HA 0.000 nan 4.470 nan 0.000 0.327 17 S C 0.000 174.569 174.600 -0.051 0.000 1.055 17 S CA 0.000 58.148 58.200 -0.087 0.000 1.107 17 S CB 0.000 63.156 63.200 -0.073 0.000 0.593 18 I N 4.811 125.357 120.570 -0.041 0.000 2.460 18 I HA 0.522 4.692 4.170 -0.001 0.000 0.298 18 I C -2.047 174.060 176.117 -0.016 0.000 0.989 18 I CA -2.752 58.532 61.300 -0.027 0.000 1.173 18 I CB 1.582 39.567 38.000 -0.026 0.000 1.338 18 I HN 0.359 nan 8.210 nan 0.000 0.456 19 P HA 0.017 nan 4.420 nan 0.000 0.266 19 P C -0.671 176.624 177.300 -0.007 0.000 1.195 19 P CA -0.054 63.042 63.100 -0.006 0.000 0.768 19 P CB 0.469 32.165 31.700 -0.006 0.000 0.838 20 M N 4.340 123.938 119.600 -0.003 0.000 2.219 20 M HA 0.094 4.574 4.480 -0.001 0.000 0.353 20 M C -1.093 175.200 176.300 -0.011 0.000 1.304 20 M CA -1.726 53.569 55.300 -0.007 0.000 1.115 20 M CB -0.201 32.398 32.600 -0.001 0.000 1.664 20 M HN 0.219 nan 8.290 nan 0.000 0.459 21 P HA -0.115 nan 4.420 nan 0.000 0.222 21 P C -0.378 176.913 177.300 -0.016 0.000 1.139 21 P CA 1.130 64.219 63.100 -0.018 0.000 0.790 21 P CB -0.015 31.671 31.700 -0.024 0.000 0.757 22 A N -1.797 121.015 122.820 -0.014 0.000 2.302 22 A HA 0.266 4.586 4.320 -0.001 0.000 0.634 22 A C 1.038 178.613 177.584 -0.015 0.000 0.278 22 A CA 0.272 52.302 52.037 -0.011 0.000 0.218 22 A CB -1.920 17.074 19.000 -0.009 0.000 3.675 22 A HN 0.813 nan 8.150 nan 0.000 0.507 23 G N -0.867 107.924 108.800 -0.015 0.000 2.198 23 G HA2 0.315 4.275 3.960 -0.001 0.000 0.260 23 G HA3 0.315 4.275 3.960 -0.001 0.000 0.260 23 G C 0.994 175.879 174.900 -0.025 0.000 1.025 23 G CA 1.227 46.316 45.100 -0.018 0.000 0.769 23 G HN 2.813 nan 8.290 nan 0.000 0.507 24 V N -0.727 119.169 119.914 -0.030 0.000 2.531 24 V HA 0.707 4.827 4.120 -0.001 0.000 0.301 24 V C 0.082 176.142 176.094 -0.057 0.000 1.034 24 V CA -1.276 60.998 62.300 -0.043 0.000 0.865 24 V CB 1.391 33.189 31.823 -0.042 0.000 0.995 24 V HN 0.208 nan 8.190 nan 0.000 0.424 25 N N 5.576 124.230 118.700 -0.076 0.000 2.488 25 N HA 0.276 5.015 4.740 -0.001 0.000 0.274 25 N C -1.837 173.561 175.510 -0.188 0.000 1.111 25 N CA -1.095 51.893 53.050 -0.103 0.000 0.974 25 N CB 2.375 40.803 38.487 -0.098 0.000 1.089 25 N HN 0.518 nan 8.380 nan 0.000 0.465 26 P HA -0.186 nan 4.420 nan 0.000 0.216 26 P C 0.954 177.769 177.300 -0.809 0.000 1.157 26 P CA 1.544 64.425 63.100 -0.365 0.000 0.880 26 P CB 0.280 31.870 31.700 -0.182 0.000 0.791 27 A N -0.468 121.689 122.820 -1.104 0.000 1.902 27 A HA -0.213 4.106 4.320 -0.001 0.000 0.217 27 A C 2.079 179.399 177.584 -0.439 0.000 1.181 27 A CA 1.970 53.329 52.037 -1.131 0.000 0.623 27 A CB -1.342 17.376 19.000 -0.470 0.000 0.818 27 A HN 0.104 nan 8.150 nan 0.000 0.443 28 D N -0.302 119.931 120.400 -0.278 0.000 2.097 28 D HA -0.133 4.506 4.640 -0.001 0.000 0.195 28 D C 1.968 178.180 176.300 -0.147 0.000 0.989 28 D CA 1.349 55.264 54.000 -0.142 0.000 0.827 28 D CB -0.365 40.370 40.800 -0.108 0.000 0.966 28 D HN 0.426 nan 8.370 nan 0.000 0.456 29 L N 0.678 121.790 121.223 -0.186 0.000 2.046 29 L HA -0.167 4.172 4.340 -0.001 0.000 0.208 29 L C 2.275 179.050 176.870 -0.157 0.000 1.077 29 L CA 1.659 56.411 54.840 -0.146 0.000 0.747 29 L CB -0.164 41.816 42.059 -0.131 0.000 0.896 29 L HN -0.061 nan 8.230 nan 0.000 0.432 30 A N -0.569 122.100 122.820 -0.250 0.000 1.930 30 A HA -0.071 4.248 4.320 -0.001 0.000 0.217 30 A C 2.358 179.845 177.584 -0.162 0.000 1.175 30 A CA 1.453 53.362 52.037 -0.213 0.000 0.627 30 A CB -0.807 17.976 19.000 -0.362 0.000 0.815 30 A HN 0.560 nan 8.150 nan 0.000 0.443 31 A N -0.723 122.008 122.820 -0.148 0.000 1.970 31 A HA -0.023 4.296 4.320 -0.001 0.000 0.216 31 A C 1.886 179.427 177.584 -0.071 0.000 1.170 31 A CA 1.295 53.286 52.037 -0.076 0.000 0.645 31 A CB -0.259 18.799 19.000 0.096 0.000 0.816 31 A HN 0.395 nan 8.150 nan 0.000 0.447 32 E N -0.009 120.148 120.200 -0.071 0.000 2.208 32 E HA -0.042 4.307 4.350 -0.001 0.000 0.193 32 E C 1.935 178.485 176.600 -0.082 0.000 0.988 32 E CA 0.385 56.748 56.400 -0.063 0.000 0.828 32 E CB -0.238 29.430 29.700 -0.054 0.000 0.763 32 E HN 0.634 nan 8.360 nan 0.000 0.478 33 L N 0.337 121.502 121.223 -0.097 0.000 2.056 33 L HA -0.136 4.204 4.340 -0.001 0.000 0.207 33 L C 2.446 179.221 176.870 -0.158 0.000 1.078 33 L CA 0.999 55.781 54.840 -0.098 0.000 0.749 33 L CB -0.413 41.600 42.059 -0.077 0.000 0.901 33 L HN 0.065 nan 8.230 nan 0.000 0.433 34 A N 0.014 122.687 122.820 -0.244 0.000 1.883 34 A HA -0.246 4.074 4.320 -0.001 0.000 0.217 34 A C 2.485 179.797 177.584 -0.455 0.000 1.186 34 A CA 1.925 53.647 52.037 -0.524 0.000 0.624 34 A CB -0.758 17.862 19.000 -0.634 0.000 0.822 34 A HN 0.449 nan 8.150 nan 0.000 0.444 35 A N -0.808 121.877 122.820 -0.227 0.000 1.902 35 A HA -0.005 4.315 4.320 -0.001 0.000 0.217 35 A C 2.277 179.810 177.584 -0.084 0.000 1.181 35 A CA 1.909 53.880 52.037 -0.109 0.000 0.623 35 A CB -0.928 18.050 19.000 -0.038 0.000 0.818 35 A HN 0.394 nan 8.150 nan 0.000 0.443 36 V N -0.635 119.230 119.914 -0.082 0.000 2.283 36 V HA -0.179 3.940 4.120 -0.001 0.000 0.243 36 V C 2.445 178.508 176.094 -0.051 0.000 1.039 36 V CA 1.800 64.069 62.300 -0.052 0.000 1.016 36 V CB -0.591 31.207 31.823 -0.042 0.000 0.650 36 V HN 0.332 nan 8.190 nan 0.000 0.449 37 V N 0.028 119.908 119.914 -0.057 0.000 3.186 37 V HA -0.200 3.920 4.120 -0.001 0.000 0.270 37 V C 2.244 178.319 176.094 -0.031 0.000 1.149 37 V CA 2.226 64.513 62.300 -0.021 0.000 1.160 37 V CB -0.662 31.194 31.823 0.055 0.000 0.758 37 V HN 0.640 nan 8.190 nan 0.000 0.516 38 T N -0.731 113.789 114.554 -0.058 0.000 2.988 38 T HA 0.031 4.380 4.350 -0.001 0.000 0.240 38 T C 2.212 176.917 174.700 0.008 0.000 1.014 38 T CA 1.109 63.210 62.100 0.001 0.000 1.155 38 T CB -0.127 68.760 68.868 0.031 0.000 0.872 38 T HN 0.630 nan 8.240 nan 0.000 0.440 39 E N 1.713 121.912 120.200 -0.003 0.000 2.219 39 E HA -0.115 4.235 4.350 -0.001 0.000 0.198 39 E C 2.297 178.890 176.600 -0.013 0.000 0.998 39 E CA 2.012 58.411 56.400 -0.001 0.000 0.818 39 E CB -1.504 28.194 29.700 -0.002 0.000 0.741 39 E HN 0.689 nan 8.360 nan 0.000 0.477 40 S N 0.187 115.870 115.700 -0.028 0.000 2.363 40 S HA 0.253 4.723 4.470 -0.001 0.000 0.218 40 S C 2.200 176.774 174.600 -0.044 0.000 1.035 40 S CA 2.979 61.152 58.200 -0.044 0.000 1.043 40 S CB -0.955 62.201 63.200 -0.073 0.000 0.986 40 S HN 1.256 nan 8.310 nan 0.000 0.423 41 V N 0.341 120.228 119.914 -0.045 0.000 6.585 41 V HA 0.565 4.684 4.120 -0.001 0.000 0.233 41 V C 0.288 176.378 176.094 -0.007 0.000 1.619 41 V CA 0.755 63.036 62.300 -0.033 0.000 0.693 41 V CB -0.104 31.694 31.823 -0.040 0.000 1.526 41 V HN 0.332 nan 8.190 nan 0.000 0.354 42 D N -0.096 120.307 120.400 0.005 0.000 2.772 42 D HA 0.286 4.926 4.640 -0.001 0.000 0.326 42 D C -0.617 175.701 176.300 0.031 0.000 1.207 42 D CA -0.227 53.784 54.000 0.018 0.000 0.777 42 D CB -0.014 40.792 40.800 0.010 0.000 1.169 42 D HN 0.616 nan 8.370 nan 0.000 0.506 43 E N 0.943 121.179 120.200 0.059 0.000 2.259 43 E HA 0.185 4.534 4.350 -0.001 0.000 0.281 43 E C -0.327 176.347 176.600 0.122 0.000 1.027 43 E CA -0.647 55.804 56.400 0.086 0.000 0.838 43 E CB 1.155 30.930 29.700 0.125 0.000 1.066 43 E HN 0.326 nan 8.360 nan 0.000 0.401 44 D N 1.563 121.969 120.400 0.012 0.000 2.368 44 D HA 0.169 4.809 4.640 -0.001 0.000 0.240 44 D C -0.402 175.890 176.300 -0.014 0.000 1.169 44 D CA 0.701 54.627 54.000 -0.123 0.000 0.906 44 D CB 0.413 41.038 40.800 -0.293 0.000 1.187 44 D HN 0.336 nan 8.370 nan 0.000 0.435 45 Y N -1.632 118.562 120.300 -0.176 0.000 2.750 45 Y HA 0.550 5.100 4.550 -0.001 0.000 0.335 45 Y C -2.130 173.761 175.900 -0.017 0.000 1.252 45 Y CA -1.402 56.662 58.100 -0.060 0.000 1.064 45 Y CB 1.014 39.474 38.460 0.001 0.000 1.321 45 Y HN 0.180 nan 8.280 nan 0.000 0.451 46 L N 3.269 124.682 121.223 0.316 0.000 2.555 46 L HA 0.481 4.820 4.340 -0.001 0.000 0.264 46 L C -1.905 175.128 176.870 0.272 0.000 0.972 46 L CA -0.891 54.094 54.840 0.242 0.000 0.876 46 L CB 1.470 43.701 42.059 0.288 0.000 1.216 46 L HN 0.910 nan 8.230 nan 0.000 0.415 47 L N 5.433 126.850 121.223 0.324 0.000 2.276 47 L HA 0.397 4.736 4.340 -0.001 0.000 0.286 47 L C -1.571 175.526 176.870 0.379 0.000 1.061 47 L CA -0.418 54.584 54.840 0.270 0.000 0.807 47 L CB 1.197 43.344 42.059 0.147 0.000 1.177 47 L HN 0.747 nan 8.230 nan 0.000 0.429 48 Y N 4.875 125.302 120.300 0.212 0.000 2.331 48 Y HA 0.252 4.802 4.550 -0.001 0.000 0.326 48 Y C -0.450 175.504 175.900 0.090 0.000 1.020 48 Y CA -0.922 57.300 58.100 0.203 0.000 1.136 48 Y CB 1.600 40.187 38.460 0.211 0.000 1.157 48 Y HN 0.592 nan 8.280 nan 0.000 0.444 49 E N 5.236 125.382 120.200 -0.090 0.000 2.216 49 E HA 0.471 4.821 4.350 -0.001 0.000 0.279 49 E C -1.730 174.489 176.600 -0.635 0.000 0.997 49 E CA -0.464 55.528 56.400 -0.681 0.000 0.817 49 E CB 1.269 30.360 29.700 -1.015 0.000 1.096 49 E HN 0.714 nan 8.360 nan 0.000 0.393 50 C N 3.637 122.577 119.300 -0.599 0.000 2.781 50 C HA 0.391 4.851 4.460 -0.001 0.000 0.348 50 C C 0.575 175.388 174.990 -0.295 0.000 1.051 50 C CA 0.459 59.215 59.018 -0.436 0.000 1.347 50 C CB -0.009 27.468 27.740 -0.439 0.000 1.846 50 C HN 1.037 nan 8.230 nan 0.000 0.473 51 D N 0.879 121.139 120.400 -0.234 0.000 2.531 51 D HA -0.185 4.454 4.640 -0.001 0.000 0.176 51 D C 1.338 177.547 176.300 -0.150 0.000 1.217 51 D CA 2.231 56.141 54.000 -0.151 0.000 1.125 51 D CB -1.662 39.078 40.800 -0.100 0.000 1.148 51 D HN 1.970 nan 8.370 nan 0.000 0.430 52 G N -3.743 104.923 108.800 -0.223 0.000 4.386 52 G HA2 0.593 4.553 3.960 -0.001 0.000 0.219 52 G HA3 0.593 4.553 3.960 -0.001 0.000 0.219 52 G C 0.398 175.203 174.900 -0.158 0.000 0.758 52 G CA 1.483 46.474 45.100 -0.181 0.000 0.861 52 G HN 1.869 nan 8.290 nan 0.000 0.642 53 Q N 0.260 119.948 119.800 -0.187 0.000 2.266 53 Q HA 0.687 5.027 4.340 -0.001 0.000 0.261 53 Q C -0.855 175.053 176.000 -0.153 0.000 0.985 53 Q CA -0.863 54.930 55.803 -0.017 0.000 0.873 53 Q CB 1.324 30.084 28.738 0.037 0.000 1.306 53 Q HN 0.378 nan 8.270 nan 0.000 0.447 54 W N 1.091 122.422 121.300 0.052 0.000 2.496 54 W HA 0.622 5.282 4.660 -0.000 0.000 0.327 54 W C -0.987 175.575 176.519 0.072 0.000 1.086 54 W CA -0.798 56.588 57.345 0.067 0.000 1.222 54 W CB 2.054 31.562 29.460 0.081 0.000 1.304 54 W HN 0.535 nan 8.180 nan 0.000 0.547 55 V N 4.990 125.062 119.914 0.264 0.000 2.448 55 V HA 0.232 4.351 4.120 -0.001 0.000 0.295 55 V C -0.475 175.718 176.094 0.166 0.000 1.025 55 V CA -0.889 61.532 62.300 0.201 0.000 0.859 55 V CB 1.711 33.639 31.823 0.176 0.000 0.988 55 V HN 0.262 nan 8.190 nan 0.000 0.431 56 L N 5.428 126.710 121.223 0.098 0.000 2.264 56 L HA 0.721 5.061 4.340 -0.001 0.000 0.287 56 L C 0.574 177.410 176.870 -0.056 0.000 1.039 56 L CA -0.264 54.601 54.840 0.043 0.000 0.829 56 L CB 0.776 42.849 42.059 0.024 0.000 1.211 56 L HN 0.735 nan 8.230 nan 0.000 0.427 57 A N 4.684 127.404 122.820 -0.166 0.000 2.437 57 A HA 0.600 4.920 4.320 -0.001 0.000 0.303 57 A C 1.027 178.676 177.584 0.107 0.000 1.324 57 A CA 0.309 52.203 52.037 -0.238 0.000 0.983 57 A CB 0.040 18.599 19.000 -0.734 0.000 1.142 57 A HN 1.031 nan 8.150 nan 0.000 0.541 58 A N 3.433 126.292 122.820 0.064 0.000 1.831 58 A HA 0.449 4.769 4.320 -0.001 0.000 0.213 58 A C 1.519 179.237 177.584 0.225 0.000 1.223 58 A CA 1.268 53.375 52.037 0.116 0.000 0.604 58 A CB -0.990 17.976 19.000 -0.058 0.000 0.878 58 A HN 1.093 nan 8.150 nan 0.000 0.450 59 G N -1.660 107.260 108.800 0.201 0.000 2.525 59 G HA2 0.469 4.429 3.960 -0.001 0.000 0.287 59 G HA3 0.469 4.429 3.960 -0.001 0.000 0.287 59 G C -0.922 174.143 174.900 0.276 0.000 1.350 59 G CA -0.078 45.163 45.100 0.236 0.000 1.039 59 G HN 0.450 nan 8.290 nan 0.000 0.513 60 V N 0.406 120.436 119.914 0.193 0.000 2.378 60 V HA 0.232 4.351 4.120 -0.001 0.000 0.288 60 V C 0.577 176.767 176.094 0.160 0.000 1.016 60 V CA -0.326 62.105 62.300 0.218 0.000 0.840 60 V CB 1.145 33.018 31.823 0.083 0.000 0.994 60 V HN 0.908 nan 8.190 nan 0.000 0.431 61 Q N 3.149 123.049 119.800 0.167 0.000 2.084 61 Q HA 0.404 4.744 4.340 -0.001 0.000 0.194 61 Q C 0.678 176.730 176.000 0.086 0.000 0.969 61 Q CA 1.195 57.060 55.803 0.104 0.000 0.829 61 Q CB 0.443 29.230 28.738 0.081 0.000 0.904 61 Q HN 0.844 nan 8.270 nan 0.000 0.464 62 A N 0.239 123.120 122.820 0.101 0.000 2.556 62 A HA 0.719 5.039 4.320 -0.001 0.000 0.294 62 A C -1.558 176.090 177.584 0.107 0.000 1.091 62 A CA -0.603 51.478 52.037 0.074 0.000 0.704 62 A CB 1.694 20.718 19.000 0.039 0.000 1.300 62 A HN 0.173 nan 8.150 nan 0.000 0.406 63 M N 1.519 121.156 119.600 0.062 0.000 2.327 63 M HA 0.599 5.078 4.480 -0.001 0.000 0.298 63 M C -1.947 174.350 176.300 -0.004 0.000 1.065 63 M CA -0.285 55.048 55.300 0.055 0.000 0.916 63 M CB 2.022 34.635 32.600 0.021 0.000 1.630 63 M HN 0.399 nan 8.290 nan 0.000 0.442 64 V N 4.674 124.568 119.914 -0.033 0.000 2.370 64 V HA 0.450 4.570 4.120 -0.001 0.000 0.279 64 V C -0.569 175.444 176.094 -0.136 0.000 1.029 64 V CA -0.450 61.797 62.300 -0.089 0.000 0.870 64 V CB 1.304 33.056 31.823 -0.119 0.000 0.984 64 V HN 0.819 nan 8.190 nan 0.000 0.451 65 E N 5.081 125.207 120.200 -0.124 0.000 2.141 65 E HA 0.392 4.742 4.350 -0.001 0.000 0.259 65 E C -0.992 175.524 176.600 -0.140 0.000 0.883 65 E CA -0.445 55.869 56.400 -0.144 0.000 0.744 65 E CB 2.219 31.868 29.700 -0.084 0.000 1.150 65 E HN 0.466 nan 8.360 nan 0.000 0.420 66 L N 4.000 125.096 121.223 -0.211 0.000 2.255 66 L HA 0.313 4.653 4.340 -0.001 0.000 0.289 66 L C -0.782 176.028 176.870 -0.099 0.000 1.046 66 L CA -0.322 54.382 54.840 -0.226 0.000 0.816 66 L CB 0.599 42.434 42.059 -0.374 0.000 1.197 66 L HN 0.488 nan 8.230 nan 0.000 0.427 67 D N 1.124 121.555 120.400 0.051 0.000 2.440 67 D HA 0.214 4.854 4.640 -0.001 0.000 0.258 67 D C 1.166 177.670 176.300 0.341 0.000 1.092 67 D CA -0.131 53.971 54.000 0.169 0.000 1.016 67 D CB 1.794 42.713 40.800 0.199 0.000 1.141 67 D HN 0.544 nan 8.370 nan 0.000 0.552 68 S N -0.117 115.762 115.700 0.298 0.000 2.400 68 S HA -0.201 4.269 4.470 -0.001 0.000 0.232 68 S C 1.001 175.735 174.600 0.224 0.000 1.025 68 S CA 1.581 59.968 58.200 0.313 0.000 0.993 68 S CB -0.184 63.135 63.200 0.199 0.000 0.808 68 S HN 0.583 nan 8.310 nan 0.000 0.478 69 D N -0.067 120.426 120.400 0.157 0.000 2.423 69 D HA 0.243 4.883 4.640 -0.001 0.000 0.212 69 D C 0.520 176.873 176.300 0.088 0.000 1.060 69 D CA 0.092 54.101 54.000 0.014 0.000 0.872 69 D CB -0.010 40.730 40.800 -0.099 0.000 1.012 69 D HN 0.560 nan 8.370 nan 0.000 0.503 70 E N -0.318 120.062 120.200 0.300 0.000 2.413 70 E HA 0.447 4.796 4.350 -0.001 0.000 0.277 70 E C -1.513 175.317 176.600 0.384 0.000 0.958 70 E CA -0.817 55.774 56.400 0.319 0.000 0.779 70 E CB 2.943 32.753 29.700 0.184 0.000 1.278 70 E HN -0.055 nan 8.360 nan 0.000 0.456 71 L N 2.677 124.082 121.223 0.303 0.000 2.272 71 L HA 0.503 4.842 4.340 -0.001 0.000 0.289 71 L C -0.792 176.110 176.870 0.053 0.000 1.032 71 L CA -0.379 54.501 54.840 0.066 0.000 0.810 71 L CB 0.528 42.584 42.059 -0.005 0.000 1.205 71 L HN 0.405 nan 8.230 nan 0.000 0.422 72 R N 3.763 124.271 120.500 0.014 0.000 2.514 72 R HA 0.627 4.967 4.340 -0.001 0.000 0.301 72 R C -1.328 174.960 176.300 -0.020 0.000 0.962 72 R CA -0.783 55.323 56.100 0.010 0.000 0.882 72 R CB 2.506 32.818 30.300 0.019 0.000 1.143 72 R HN 0.317 nan 8.270 nan 0.000 0.452 73 V N 5.305 125.213 119.914 -0.011 0.000 2.407 73 V HA 0.415 4.534 4.120 -0.001 0.000 0.291 73 V C -0.522 175.569 176.094 -0.004 0.000 1.018 73 V CA -0.616 61.674 62.300 -0.016 0.000 0.842 73 V CB 1.614 33.426 31.823 -0.018 0.000 0.996 73 V HN 0.592 nan 8.190 nan 0.000 0.426 74 I N 5.747 126.315 120.570 -0.002 0.000 2.362 74 I HA 0.569 4.739 4.170 -0.001 0.000 0.289 74 I C 0.687 176.812 176.117 0.013 0.000 0.994 74 I CA -0.360 60.942 61.300 0.005 0.000 1.158 74 I CB 1.413 39.413 38.000 0.000 0.000 1.315 74 I HN 0.502 nan 8.210 nan 0.000 0.451 75 R N 3.438 123.946 120.500 0.014 0.000 1.996 75 R HA 0.293 4.633 4.340 -0.001 0.000 0.120 75 R C 0.331 176.644 176.300 0.022 0.000 1.829 75 R CA 0.563 56.675 56.100 0.020 0.000 1.637 75 R CB -0.250 30.060 30.300 0.016 0.000 1.313 75 R HN 0.678 nan 8.270 nan 0.000 0.487 76 D N -0.061 120.351 120.400 0.020 0.000 3.057 76 D HA 0.397 5.037 4.640 -0.001 0.000 0.246 76 D C 0.889 177.199 176.300 0.016 0.000 1.238 76 D CA 0.520 54.532 54.000 0.020 0.000 0.949 76 D CB -0.456 40.356 40.800 0.020 0.000 1.086 76 D HN 0.565 nan 8.370 nan 0.000 0.487 77 G N -0.685 108.123 108.800 0.014 0.000 3.211 77 G HA2 -0.171 3.789 3.960 -0.001 0.000 0.206 77 G HA3 -0.171 3.789 3.960 -0.001 0.000 0.206 77 G C 0.795 175.700 174.900 0.009 0.000 1.418 77 G CA 0.075 45.181 45.100 0.010 0.000 0.958 77 G HN 1.277 nan 8.290 nan 0.000 0.567 78 V N 3.735 123.655 119.914 0.010 0.000 2.655 78 V HA 0.528 4.648 4.120 -0.001 0.000 0.300 78 V C 1.219 177.318 176.094 0.009 0.000 1.044 78 V CA 1.107 63.413 62.300 0.009 0.000 1.095 78 V CB 1.172 33.001 31.823 0.010 0.000 0.952 78 V HN 1.311 nan 8.190 nan 0.000 0.485 79 T N 6.055 120.615 114.554 0.009 0.000 2.907 79 T HA 0.534 4.883 4.350 -0.001 0.000 0.284 79 T C -0.257 174.450 174.700 0.013 0.000 1.004 79 T CA -0.849 61.257 62.100 0.010 0.000 1.063 79 T CB 1.019 69.894 68.868 0.010 0.000 0.992 79 T HN 0.661 nan 8.240 nan 0.000 0.483 80 R N 2.801 123.309 120.500 0.013 0.000 2.320 80 R HA 0.359 4.699 4.340 -0.001 0.000 0.319 80 R C -0.299 176.015 176.300 0.023 0.000 0.969 80 R CA -0.580 55.530 56.100 0.016 0.000 0.857 80 R CB 1.563 31.870 30.300 0.011 0.000 1.160 80 R HN 0.647 nan 8.270 nan 0.000 0.491 81 R N 1.983 122.502 120.500 0.031 0.000 2.349 81 R HA 0.185 4.525 4.340 -0.001 0.000 0.299 81 R C -0.265 176.067 176.300 0.053 0.000 1.027 81 R CA -0.097 56.031 56.100 0.047 0.000 0.958 81 R CB 1.346 31.677 30.300 0.051 0.000 1.047 81 R HN 0.588 nan 8.270 nan 0.000 0.468 82 Q N 1.147 120.992 119.800 0.075 0.000 2.472 82 Q HA 0.347 4.686 4.340 -0.001 0.000 0.281 82 Q C -1.716 174.366 176.000 0.135 0.000 0.997 82 Q CA -0.895 54.959 55.803 0.085 0.000 0.828 82 Q CB 1.385 30.166 28.738 0.072 0.000 1.443 82 Q HN 0.555 nan 8.270 nan 0.000 0.390 83 Q N 2.089 121.949 119.800 0.100 0.000 2.312 83 Q HA 0.601 4.941 4.340 -0.001 0.000 0.236 83 Q C -0.857 175.245 176.000 0.171 0.000 0.965 83 Q CA 0.144 55.993 55.803 0.076 0.000 0.894 83 Q CB 0.760 29.490 28.738 -0.014 0.000 1.225 83 Q HN 0.689 nan 8.270 nan 0.000 0.478 84 W N -0.688 120.600 121.300 -0.020 0.000 3.075 84 W HA 0.733 5.392 4.660 -0.001 0.000 0.334 84 W C -0.785 175.714 176.519 -0.033 0.000 1.243 84 W CA -0.490 56.837 57.345 -0.029 0.000 1.170 84 W CB 0.632 30.071 29.460 -0.035 0.000 1.452 84 W HN 0.686 nan 8.180 nan 0.000 0.572 85 S N 0.776 116.547 115.700 0.118 0.000 3.976 85 S HA 0.603 5.072 4.470 -0.001 0.000 0.189 85 S C 0.629 175.193 174.600 -0.061 0.000 0.917 85 S CA 0.243 58.387 58.200 -0.094 0.000 1.552 85 S CB -0.424 62.768 63.200 -0.013 0.000 0.676 85 S HN 0.712 nan 8.310 nan 0.000 0.738 86 G N 0.068 108.889 108.800 0.035 0.000 2.588 86 G HA2 0.457 4.417 3.960 -0.001 0.000 0.281 86 G HA3 0.457 4.417 3.960 -0.001 0.000 0.281 86 G C 0.013 174.876 174.900 -0.062 0.000 1.236 86 G CA -0.065 45.037 45.100 0.004 0.000 0.969 86 G HN 1.070 nan 8.290 nan 0.000 0.504 87 R N -0.284 120.003 120.500 -0.354 0.000 2.176 87 R HA -0.146 4.194 4.340 -0.001 0.000 0.280 87 R C -0.861 175.329 176.300 -0.184 0.000 1.067 87 R CA 1.076 56.988 56.100 -0.314 0.000 1.019 87 R CB -2.147 28.087 30.300 -0.110 0.000 2.754 87 R HN 0.623 nan 8.270 nan 0.000 0.519 88 P HA -0.223 nan 4.420 nan 0.000 0.217 88 P C 1.757 178.932 177.300 -0.208 0.000 1.148 88 P CA 1.583 64.459 63.100 -0.373 0.000 0.828 88 P CB -0.194 31.306 31.700 -0.333 0.000 0.783 89 G N 0.702 109.407 108.800 -0.158 0.000 2.505 89 G HA2 -0.303 3.657 3.960 -0.001 0.000 0.220 89 G HA3 -0.303 3.657 3.960 -0.001 0.000 0.220 89 G C 1.806 176.683 174.900 -0.040 0.000 1.145 89 G CA 1.324 46.433 45.100 0.014 0.000 0.761 89 G HN 0.412 nan 8.290 nan 0.000 0.571 90 A N 0.831 123.610 122.820 -0.069 0.000 1.897 90 A HA 0.439 4.758 4.320 -0.001 0.000 0.215 90 A C 2.807 180.346 177.584 -0.076 0.000 1.181 90 A CA 1.945 53.950 52.037 -0.054 0.000 0.620 90 A CB -0.686 18.297 19.000 -0.028 0.000 0.821 90 A HN 0.786 nan 8.150 nan 0.000 0.443 91 A N -0.460 122.290 122.820 -0.117 0.000 1.902 91 A HA -0.013 4.307 4.320 -0.001 0.000 0.217 91 A C 2.131 179.576 177.584 -0.232 0.000 1.181 91 A CA 1.718 53.653 52.037 -0.171 0.000 0.623 91 A CB -0.570 18.235 19.000 -0.326 0.000 0.818 91 A HN 0.589 nan 8.150 nan 0.000 0.443 92 L N -0.052 121.017 121.223 -0.257 0.000 2.005 92 L HA 0.053 4.393 4.340 -0.001 0.000 0.207 92 L C 2.476 179.244 176.870 -0.171 0.000 1.072 92 L CA 2.275 56.972 54.840 -0.238 0.000 0.744 92 L CB -1.146 40.772 42.059 -0.235 0.000 0.895 92 L HN 0.305 nan 8.230 nan 0.000 0.433 93 G N -1.071 107.653 108.800 -0.126 0.000 2.476 93 G HA2 -0.310 3.649 3.960 -0.001 0.000 0.218 93 G HA3 -0.310 3.649 3.960 -0.001 0.000 0.218 93 G C 1.439 176.285 174.900 -0.091 0.000 1.164 93 G CA 1.019 46.059 45.100 -0.101 0.000 0.768 93 G HN 0.533 nan 8.290 nan 0.000 0.560 94 E N 0.432 120.583 120.200 -0.081 0.000 2.038 94 E HA -0.084 4.266 4.350 -0.001 0.000 0.195 94 E C 2.977 179.532 176.600 -0.075 0.000 1.000 94 E CA 0.919 57.280 56.400 -0.066 0.000 0.803 94 E CB -0.243 29.428 29.700 -0.050 0.000 0.750 94 E HN 0.414 nan 8.360 nan 0.000 0.448 95 A N 0.820 123.582 122.820 -0.096 0.000 1.902 95 A HA -0.158 4.162 4.320 -0.001 0.000 0.217 95 A C 2.500 180.026 177.584 -0.097 0.000 1.181 95 A CA 1.235 53.214 52.037 -0.095 0.000 0.623 95 A CB -0.728 18.198 19.000 -0.123 0.000 0.818 95 A HN 0.139 nan 8.150 nan 0.000 0.443 96 V N 0.674 120.517 119.914 -0.117 0.000 2.343 96 V HA -0.252 3.867 4.120 -0.001 0.000 0.247 96 V C 2.138 178.174 176.094 -0.097 0.000 1.051 96 V CA 2.388 64.616 62.300 -0.120 0.000 1.036 96 V CB -0.788 30.945 31.823 -0.149 0.000 0.654 96 V HN 0.520 nan 8.190 nan 0.000 0.451 97 D N 0.208 120.557 120.400 -0.084 0.000 2.144 97 D HA -0.150 4.490 4.640 -0.001 0.000 0.199 97 D C 2.412 178.678 176.300 -0.057 0.000 0.984 97 D CA 1.853 55.812 54.000 -0.068 0.000 0.834 97 D CB -0.186 40.579 40.800 -0.058 0.000 0.955 97 D HN 0.499 nan 8.370 nan 0.000 0.465 98 R N 0.553 121.022 120.500 -0.053 0.000 2.090 98 R HA 0.027 4.367 4.340 -0.001 0.000 0.228 98 R C 2.209 178.485 176.300 -0.040 0.000 1.110 98 R CA 0.970 57.046 56.100 -0.040 0.000 0.973 98 R CB -1.466 28.813 30.300 -0.035 0.000 0.869 98 R HN 0.200 nan 8.270 nan 0.000 0.440 99 L N 0.263 121.456 121.223 -0.050 0.000 2.079 99 L HA 0.025 4.365 4.340 -0.001 0.000 0.210 99 L C 1.880 178.721 176.870 -0.049 0.000 1.081 99 L CA 1.669 56.481 54.840 -0.047 0.000 0.752 99 L CB -0.081 41.941 42.059 -0.061 0.000 0.896 99 L HN 0.396 nan 8.230 nan 0.000 0.433 100 L N -1.698 119.490 121.223 -0.060 0.000 2.700 100 L HA 0.065 4.405 4.340 -0.001 0.000 0.234 100 L C 1.904 178.746 176.870 -0.047 0.000 1.156 100 L CA -0.288 54.516 54.840 -0.061 0.000 0.946 100 L CB -0.081 41.929 42.059 -0.081 0.000 1.216 100 L HN 0.217 nan 8.230 nan 0.000 0.493 101 L N 0.090 121.290 121.223 -0.038 0.000 2.043 101 L HA -0.206 4.133 4.340 -0.001 0.000 0.212 101 L C 1.770 178.626 176.870 -0.023 0.000 1.075 101 L CA 1.481 56.304 54.840 -0.028 0.000 0.752 101 L CB 0.049 42.094 42.059 -0.022 0.000 0.891 101 L HN 0.379 nan 8.230 nan 0.000 0.432 102 E N -1.397 118.791 120.200 -0.020 0.000 2.714 102 E HA 0.194 4.544 4.350 -0.001 0.000 0.219 102 E C -0.318 176.275 176.600 -0.012 0.000 0.979 102 E CA 0.157 56.549 56.400 -0.013 0.000 1.092 102 E CB 1.041 30.738 29.700 -0.005 0.000 1.049 102 E HN 0.319 nan 8.360 nan 0.000 0.487 103 T N -0.647 113.893 114.554 -0.022 0.000 2.903 103 T HA 0.281 4.631 4.350 -0.001 0.000 0.299 103 T C 0.410 175.084 174.700 -0.043 0.000 1.093 103 T CA -0.709 61.377 62.100 -0.024 0.000 1.002 103 T CB 2.369 71.224 68.868 -0.022 0.000 1.127 103 T HN -0.325 nan 8.240 nan 0.000 0.488 104 D N 0.409 120.782 120.400 -0.046 0.000 2.123 104 D HA 0.012 4.652 4.640 -0.001 0.000 0.200 104 D C 0.477 176.717 176.300 -0.099 0.000 0.976 104 D CA 1.360 55.319 54.000 -0.069 0.000 0.831 104 D CB 0.458 41.214 40.800 -0.073 0.000 0.974 104 D HN 0.397 nan 8.370 nan 0.000 0.469 105 Q N -0.681 119.065 119.800 -0.090 0.000 2.397 105 Q HA 0.676 5.016 4.340 -0.001 0.000 0.275 105 Q C -1.258 174.642 176.000 -0.167 0.000 1.090 105 Q CA -0.680 55.034 55.803 -0.148 0.000 0.809 105 Q CB 3.044 31.760 28.738 -0.037 0.000 1.362 105 Q HN 0.000 nan 8.270 nan 0.000 0.431 106 A N 1.626 124.224 122.820 -0.370 0.000 2.515 106 A HA 0.934 5.254 4.320 -0.001 0.000 0.296 106 A C -1.630 175.564 177.584 -0.651 0.000 1.094 106 A CA -0.404 51.423 52.037 -0.350 0.000 0.718 106 A CB 1.293 20.136 19.000 -0.262 0.000 1.307 106 A HN 0.525 nan 8.150 nan 0.000 0.408 107 F N -0.651 119.018 119.950 -0.468 0.000 2.631 107 F HA 0.788 5.315 4.527 -0.001 0.000 0.308 107 F C 0.667 176.405 175.800 -0.103 0.000 1.097 107 F CA 0.461 58.276 58.000 -0.309 0.000 0.952 107 F CB 2.544 41.340 39.000 -0.341 0.000 1.307 107 F HN 1.243 nan 8.300 nan 0.000 0.450 108 G N 0.079 108.992 108.800 0.188 0.000 2.399 108 G HA2 0.395 4.354 3.960 -0.001 0.000 0.256 108 G HA3 0.395 4.354 3.960 -0.001 0.000 0.256 108 G C -2.430 172.532 174.900 0.103 0.000 1.236 108 G CA -0.538 44.668 45.100 0.177 0.000 0.914 108 G HN 0.953 nan 8.290 nan 0.000 0.482 109 W N -1.050 120.176 121.300 -0.123 0.000 3.075 109 W HA 0.774 5.434 4.660 -0.000 0.000 0.334 109 W C -1.834 174.550 176.519 -0.224 0.000 1.243 109 W CA -1.231 56.003 57.345 -0.186 0.000 1.170 109 W CB 1.074 30.429 29.460 -0.175 0.000 1.452 109 W HN 0.653 nan 8.180 nan 0.000 0.572 110 V N 1.737 121.658 119.914 0.012 0.000 2.656 110 V HA 0.690 4.810 4.120 -0.001 0.000 0.307 110 V C 0.164 176.362 176.094 0.173 0.000 1.051 110 V CA -0.729 61.392 62.300 -0.299 0.000 0.893 110 V CB 1.270 32.653 31.823 -0.735 0.000 0.999 110 V HN 0.787 nan 8.190 nan 0.000 0.426 111 A N 2.974 125.934 122.820 0.233 0.000 2.293 111 A HA 0.590 4.910 4.320 -0.001 0.000 0.302 111 A C 0.639 178.592 177.584 0.616 0.000 1.119 111 A CA -0.313 52.042 52.037 0.532 0.000 0.823 111 A CB 0.233 19.544 19.000 0.517 0.000 1.097 111 A HN 0.902 nan 8.150 nan 0.000 0.491 112 F N 1.018 121.247 119.950 0.465 0.000 2.085 112 F HA -0.271 4.256 4.527 -0.000 0.000 0.299 112 F C 1.731 177.810 175.800 0.465 0.000 1.096 112 F CA 2.780 61.043 58.000 0.437 0.000 1.227 112 F CB -0.156 38.959 39.000 0.191 0.000 0.983 112 F HN 0.729 nan 8.300 nan 0.000 0.482 113 E N -0.564 119.885 120.200 0.415 0.000 2.463 113 E HA -0.176 4.174 4.350 -0.001 0.000 0.201 113 E C 1.737 178.499 176.600 0.269 0.000 1.045 113 E CA 0.796 57.361 56.400 0.274 0.000 0.872 113 E CB -0.758 29.137 29.700 0.324 0.000 0.797 113 E HN 0.593 nan 8.360 nan 0.000 0.538 114 F N -0.194 119.837 119.950 0.135 0.000 2.259 114 F HA 0.063 4.590 4.527 -0.001 0.000 0.298 114 F C 1.897 177.739 175.800 0.071 0.000 1.088 114 F CA 1.329 59.331 58.000 0.003 0.000 1.358 114 F CB -0.098 38.750 39.000 -0.252 0.000 1.040 114 F HN 0.013 nan 8.300 nan 0.000 0.505 115 G N -0.341 108.589 108.800 0.217 0.000 3.327 115 G HA2 0.134 4.093 3.960 -0.001 0.000 0.240 115 G HA3 0.134 4.093 3.960 -0.001 0.000 0.240 115 G C 1.049 176.003 174.900 0.090 0.000 1.222 115 G CA 0.514 45.700 45.100 0.143 0.000 0.871 115 G HN 0.316 nan 8.290 nan 0.000 0.525 116 V N -0.736 119.230 119.914 0.085 0.000 3.471 116 V HA 0.044 4.164 4.120 -0.001 0.000 0.258 116 V C 2.099 178.277 176.094 0.140 0.000 1.192 116 V CA 0.864 63.267 62.300 0.171 0.000 1.116 116 V CB -0.003 31.970 31.823 0.250 0.000 0.792 116 V HN 0.590 nan 8.190 nan 0.000 0.459 117 H N 1.372 120.432 119.070 -0.017 0.000 2.357 117 H HA -0.112 4.444 4.556 -0.001 0.000 0.301 117 H C 2.352 177.610 175.328 -0.116 0.000 1.082 117 H CA 2.442 58.462 56.048 -0.047 0.000 1.342 117 H CB 0.086 29.818 29.762 -0.050 0.000 1.389 117 H HN 0.313 nan 8.280 nan 0.000 0.511 118 R N 0.443 120.886 120.500 -0.095 0.000 2.136 118 R HA -0.236 4.104 4.340 -0.001 0.000 0.242 118 R C 1.981 177.998 176.300 -0.473 0.000 1.131 118 R CA 2.277 58.163 56.100 -0.357 0.000 0.937 118 R CB -2.318 27.618 30.300 -0.608 0.000 0.863 118 R HN 0.677 nan 8.270 nan 0.000 0.435 119 Y N 0.723 120.989 120.300 -0.057 0.000 2.506 119 Y HA 0.391 4.941 4.550 -0.001 0.000 0.333 119 Y C 1.796 177.631 175.900 -0.109 0.000 1.177 119 Y CA -0.270 57.791 58.100 -0.066 0.000 1.292 119 Y CB -0.769 37.667 38.460 -0.040 0.000 1.124 119 Y HN 0.579 nan 8.280 nan 0.000 0.507 120 G N 1.513 110.245 108.800 -0.112 0.000 2.396 120 G HA2 -0.273 3.687 3.960 -0.001 0.000 0.288 120 G HA3 -0.273 3.687 3.960 -0.001 0.000 0.288 120 G C 0.193 175.016 174.900 -0.129 0.000 0.926 120 G CA 0.615 45.613 45.100 -0.170 0.000 1.211 120 G HN 0.634 nan 8.290 nan 0.000 0.496 121 L N -0.890 120.263 121.223 -0.117 0.000 3.229 121 L HA 0.166 4.505 4.340 -0.001 0.000 0.286 121 L C 1.945 178.733 176.870 -0.137 0.000 1.239 121 L CA -0.131 54.591 54.840 -0.197 0.000 1.035 121 L CB 0.302 42.139 42.059 -0.370 0.000 1.408 121 L HN 0.273 nan 8.230 nan 0.000 0.593 122 Q N 0.600 120.370 119.800 -0.050 0.000 2.226 122 Q HA -0.190 4.150 4.340 -0.001 0.000 0.204 122 Q C 2.544 178.556 176.000 0.019 0.000 0.975 122 Q CA 1.957 57.789 55.803 0.049 0.000 0.866 122 Q CB -0.605 28.194 28.738 0.101 0.000 0.915 122 Q HN 0.627 nan 8.270 nan 0.000 0.440 123 Q N 1.444 121.218 119.800 -0.043 0.000 2.124 123 Q HA -0.137 4.203 4.340 -0.001 0.000 0.202 123 Q C 1.938 177.924 176.000 -0.023 0.000 0.977 123 Q CA 1.766 57.544 55.803 -0.042 0.000 0.850 123 Q CB -0.807 27.892 28.738 -0.065 0.000 0.901 123 Q HN 0.474 nan 8.270 nan 0.000 0.429 124 R N -0.804 119.656 120.500 -0.067 0.000 2.377 124 R HA 0.116 4.456 4.340 -0.001 0.000 0.207 124 R C -0.307 176.084 176.300 0.152 0.000 1.075 124 R CA -0.094 55.988 56.100 -0.030 0.000 1.035 124 R CB -0.253 29.877 30.300 -0.283 0.000 0.857 124 R HN 0.309 nan 8.270 nan 0.000 0.475 125 L N 0.419 121.736 121.223 0.157 0.000 2.289 125 L HA 0.337 4.677 4.340 -0.001 0.000 0.285 125 L C 0.211 177.163 176.870 0.138 0.000 1.049 125 L CA -0.626 54.341 54.840 0.213 0.000 0.804 125 L CB 1.184 43.376 42.059 0.222 0.000 1.195 125 L HN 0.005 nan 8.230 nan 0.000 0.428 126 A N 5.653 128.558 122.820 0.142 0.000 2.425 126 A HA 0.437 4.757 4.320 -0.001 0.000 0.242 126 A C -1.479 176.152 177.584 0.077 0.000 1.077 126 A CA -0.794 51.304 52.037 0.101 0.000 0.781 126 A CB -0.384 18.680 19.000 0.107 0.000 1.020 126 A HN 0.757 nan 8.150 nan 0.000 0.494 127 P HA -0.150 nan 4.420 nan 0.000 0.218 127 P C 0.319 177.518 177.300 -0.168 0.000 1.146 127 P CA 1.522 64.573 63.100 -0.081 0.000 0.820 127 P CB 0.051 31.680 31.700 -0.117 0.000 0.778 128 H N -1.925 117.194 119.070 0.081 0.000 2.500 128 H HA 0.246 4.802 4.556 -0.001 0.000 0.243 128 H C -0.199 175.193 175.328 0.106 0.000 1.318 128 H CA -0.074 56.026 56.048 0.088 0.000 1.077 128 H CB -0.086 29.719 29.762 0.071 0.000 1.748 128 H HN -0.042 nan 8.280 nan 0.000 0.556 129 T N 3.533 118.210 114.554 0.205 0.000 2.729 129 T HA 0.169 4.519 4.350 -0.001 0.000 0.296 129 T C -2.342 172.476 174.700 0.196 0.000 0.928 129 T CA -1.324 60.897 62.100 0.202 0.000 1.045 129 T CB 1.284 70.273 68.868 0.202 0.000 0.902 129 T HN 0.169 nan 8.240 nan 0.000 0.500 130 P HA 0.114 nan 4.420 nan 0.000 0.264 130 P C 0.098 177.468 177.300 0.117 0.000 1.193 130 P CA -0.183 62.997 63.100 0.132 0.000 0.763 130 P CB 0.586 32.418 31.700 0.220 0.000 0.810 131 L N 3.088 124.316 121.223 0.008 0.000 2.433 131 L HA 0.476 4.816 4.340 -0.001 0.000 0.200 131 L C 0.852 177.596 176.870 -0.211 0.000 1.059 131 L CA 1.040 55.893 54.840 0.022 0.000 0.835 131 L CB -0.583 41.523 42.059 0.078 0.000 1.076 131 L HN 0.405 nan 8.230 nan 0.000 0.481 132 A N -1.023 121.545 122.820 -0.420 0.000 2.606 132 A HA 0.808 5.128 4.320 -0.001 0.000 0.293 132 A C -1.206 175.927 177.584 -0.752 0.000 1.082 132 A CA -0.656 50.968 52.037 -0.689 0.000 0.685 132 A CB 1.478 20.092 19.000 -0.643 0.000 1.284 132 A HN -0.050 nan 8.150 nan 0.000 0.408 133 R N 0.589 120.515 120.500 -0.957 0.000 2.502 133 R HA 0.606 4.946 4.340 -0.001 0.000 0.298 133 R C -1.658 174.404 176.300 -0.397 0.000 1.018 133 R CA -0.394 55.302 56.100 -0.673 0.000 0.899 133 R CB 1.412 31.217 30.300 -0.826 0.000 1.181 133 R HN 0.539 nan 8.270 nan 0.000 0.444 134 V N 4.255 124.051 119.914 -0.196 0.000 2.789 134 V HA 0.670 4.790 4.120 -0.001 0.000 0.311 134 V C -0.640 175.520 176.094 0.109 0.000 1.073 134 V CA -1.027 61.242 62.300 -0.052 0.000 0.921 134 V CB 2.196 33.921 31.823 -0.164 0.000 1.009 134 V HN 0.687 nan 8.190 nan 0.000 0.426 135 F N 1.214 121.136 119.950 -0.047 0.000 2.613 135 F HA 0.851 5.378 4.527 -0.001 0.000 0.310 135 F C -0.138 175.694 175.800 0.055 0.000 1.085 135 F CA -0.807 57.190 58.000 -0.004 0.000 0.945 135 F CB 1.880 40.884 39.000 0.008 0.000 1.298 135 F HN 0.453 nan 8.300 nan 0.000 0.455 136 S N 2.479 118.150 115.700 -0.048 0.000 2.525 136 S HA 0.710 5.180 4.470 -0.001 0.000 0.278 136 S C -2.855 171.724 174.600 -0.036 0.000 1.234 136 S CA -1.388 56.737 58.200 -0.124 0.000 1.058 136 S CB 1.168 64.350 63.200 -0.030 0.000 0.983 136 S HN 0.615 nan 8.310 nan 0.000 0.495 137 P HA 0.408 nan 4.420 nan 0.000 0.278 137 P C -0.045 177.303 177.300 0.081 0.000 1.258 137 P CA -0.834 62.311 63.100 0.074 0.000 0.811 137 P CB 0.966 32.635 31.700 -0.052 0.000 1.063 138 R N -0.562 120.003 120.500 0.109 0.000 2.200 138 R HA 0.140 4.480 4.340 -0.001 0.000 0.208 138 R C 0.178 176.469 176.300 -0.015 0.000 1.033 138 R CA 1.032 57.175 56.100 0.071 0.000 1.000 138 R CB 0.007 30.389 30.300 0.137 0.000 0.906 138 R HN 0.525 nan 8.270 nan 0.000 0.462 139 T N 0.169 114.676 114.554 -0.078 0.000 2.993 139 T HA 0.384 4.733 4.350 -0.001 0.000 0.312 139 T C -1.022 173.641 174.700 -0.060 0.000 1.115 139 T CA -0.815 61.210 62.100 -0.125 0.000 1.027 139 T CB 2.516 71.147 68.868 -0.396 0.000 1.116 139 T HN -0.040 nan 8.240 nan 0.000 0.464 140 R N 1.672 122.194 120.500 0.037 0.000 2.346 140 R HA 0.699 5.039 4.340 -0.001 0.000 0.311 140 R C -0.679 175.726 176.300 0.175 0.000 0.983 140 R CA -0.470 55.679 56.100 0.081 0.000 0.880 140 R CB 1.042 31.402 30.300 0.100 0.000 1.100 140 R HN 0.527 nan 8.270 nan 0.000 0.453 141 I N 4.030 124.670 120.570 0.116 0.000 2.466 141 I HA 0.253 4.423 4.170 -0.001 0.000 0.279 141 I C -0.413 175.797 176.117 0.156 0.000 1.033 141 I CA -0.427 60.941 61.300 0.114 0.000 1.123 141 I CB 1.294 39.314 38.000 0.032 0.000 1.237 141 I HN 0.381 nan 8.210 nan 0.000 0.460 142 M N 6.019 125.755 119.600 0.227 0.000 2.217 142 M HA 0.295 4.774 4.480 -0.001 0.000 0.352 142 M C -0.500 175.901 176.300 0.169 0.000 1.376 142 M CA -0.133 55.301 55.300 0.224 0.000 1.107 142 M CB 0.962 33.738 32.600 0.294 0.000 1.723 142 M HN 0.174 nan 8.290 nan 0.000 0.461 143 V N 3.640 123.680 119.914 0.209 0.000 2.443 143 V HA 0.543 4.663 4.120 -0.001 0.000 0.293 143 V C -0.035 176.222 176.094 0.271 0.000 1.021 143 V CA -0.541 61.867 62.300 0.181 0.000 0.848 143 V CB 1.642 33.538 31.823 0.123 0.000 0.998 143 V HN 1.030 nan 8.190 nan 0.000 0.424 144 S N 2.246 118.059 115.700 0.188 0.000 2.704 144 S HA 0.758 5.227 4.470 -0.001 0.000 0.296 144 S C 1.064 175.747 174.600 0.138 0.000 1.138 144 S CA 0.106 58.432 58.200 0.209 0.000 0.875 144 S CB 1.781 65.075 63.200 0.156 0.000 1.151 144 S HN 0.855 nan 8.310 nan 0.000 0.500 145 E N 0.274 120.557 120.200 0.138 0.000 2.097 145 E HA -0.114 4.235 4.350 -0.001 0.000 0.196 145 E C 2.073 178.706 176.600 0.054 0.000 1.000 145 E CA 2.515 58.968 56.400 0.088 0.000 0.804 145 E CB -1.619 28.131 29.700 0.083 0.000 0.740 145 E HN 1.006 nan 8.360 nan 0.000 0.454 146 K N 0.396 120.828 120.400 0.053 0.000 2.308 146 K HA 0.301 4.621 4.320 -0.001 0.000 0.197 146 K C 1.137 177.754 176.600 0.028 0.000 1.049 146 K CA 1.250 57.558 56.287 0.035 0.000 0.991 146 K CB 0.200 32.719 32.500 0.032 0.000 0.836 146 K HN 0.840 nan 8.250 nan 0.000 0.500 147 E N -1.641 118.582 120.200 0.038 0.000 2.445 147 E HA 0.633 4.982 4.350 -0.001 0.000 0.279 147 E C -1.485 175.135 176.600 0.033 0.000 1.018 147 E CA -0.981 55.435 56.400 0.026 0.000 0.816 147 E CB 1.467 31.180 29.700 0.020 0.000 1.356 147 E HN 0.042 nan 8.360 nan 0.000 0.462 148 I N 0.545 121.122 120.570 0.012 0.000 2.382 148 I HA 0.570 4.739 4.170 -0.001 0.000 0.285 148 I C -0.056 176.045 176.117 -0.025 0.000 1.007 148 I CA -0.516 60.789 61.300 0.009 0.000 1.142 148 I CB 1.505 39.501 38.000 -0.005 0.000 1.289 148 I HN 0.703 nan 8.210 nan 0.000 0.453 149 R N 6.998 127.482 120.500 -0.026 0.000 2.338 149 R HA 0.846 5.186 4.340 -0.001 0.000 0.317 149 R C -1.103 175.048 176.300 -0.249 0.000 0.968 149 R CA -0.536 55.471 56.100 -0.155 0.000 0.849 149 R CB 0.676 30.892 30.300 -0.140 0.000 1.128 149 R HN 0.680 nan 8.270 nan 0.000 0.448 150 L N 2.415 123.418 121.223 -0.366 0.000 2.287 150 L HA 0.657 4.997 4.340 -0.001 0.000 0.287 150 L C -0.920 175.658 176.870 -0.487 0.000 1.022 150 L CA -0.719 53.950 54.840 -0.285 0.000 0.814 150 L CB 1.216 43.186 42.059 -0.149 0.000 1.217 150 L HN 0.595 nan 8.230 nan 0.000 0.420 151 F N 1.358 121.300 119.950 -0.014 0.000 2.411 151 F HA 0.271 4.797 4.527 -0.001 0.000 0.352 151 F C 0.652 176.436 175.800 -0.027 0.000 1.123 151 F CA -0.645 57.349 58.000 -0.011 0.000 1.044 151 F CB 1.205 40.206 39.000 0.001 0.000 1.135 151 F HN 0.589 nan 8.300 nan 0.000 0.461 152 D N 2.118 122.588 120.400 0.117 0.000 2.772 152 D HA -0.204 4.435 4.640 -0.001 0.000 0.233 152 D C -0.306 176.006 176.300 0.021 0.000 1.143 152 D CA 0.705 54.746 54.000 0.068 0.000 0.700 152 D CB -0.568 40.281 40.800 0.081 0.000 1.076 152 D HN 0.670 nan 8.370 nan 0.000 0.430 153 A N 0.325 123.146 122.820 0.001 0.000 2.302 153 A HA 0.653 4.972 4.320 -0.001 0.000 0.295 153 A C 1.247 178.875 177.584 0.074 0.000 1.235 153 A CA 0.200 52.240 52.037 0.004 0.000 0.876 153 A CB 0.779 19.776 19.000 -0.006 0.000 1.133 153 A HN 0.390 nan 8.150 nan 0.000 0.533 154 G N 0.328 109.218 108.800 0.149 0.000 2.553 154 G HA2 0.447 4.407 3.960 -0.001 0.000 0.278 154 G HA3 0.447 4.407 3.960 -0.001 0.000 0.278 154 G C 1.316 176.275 174.900 0.098 0.000 1.349 154 G CA 0.101 45.270 45.100 0.116 0.000 1.037 154 G HN 1.419 nan 8.290 nan 0.000 0.508 155 I N -0.318 120.284 120.570 0.055 0.000 2.163 155 I HA -0.009 4.161 4.170 -0.001 0.000 0.243 155 I C 3.208 179.336 176.117 0.018 0.000 1.085 155 I CA 3.435 64.752 61.300 0.029 0.000 1.347 155 I CB -2.000 36.008 38.000 0.014 0.000 1.044 155 I HN 0.854 nan 8.210 nan 0.000 0.408 156 R N -0.246 120.248 120.500 -0.010 0.000 2.094 156 R HA -0.284 4.055 4.340 -0.001 0.000 0.239 156 R C 2.212 178.449 176.300 -0.105 0.000 1.137 156 R CA 2.372 58.419 56.100 -0.088 0.000 0.943 156 R CB -2.239 27.961 30.300 -0.167 0.000 0.850 156 R HN 0.905 nan 8.270 nan 0.000 0.433 157 H N -0.374 118.697 119.070 0.001 0.000 2.421 157 H HA 0.017 4.572 4.556 -0.001 0.000 0.298 157 H C 2.452 177.774 175.328 -0.011 0.000 1.087 157 H CA 1.864 57.910 56.048 -0.003 0.000 1.330 157 H CB 0.153 29.918 29.762 0.005 0.000 1.388 157 H HN 0.459 nan 8.280 nan 0.000 0.526 158 R N 0.214 120.777 120.500 0.104 0.000 2.161 158 R HA -0.027 4.312 4.340 -0.001 0.000 0.213 158 R C 1.873 178.187 176.300 0.022 0.000 1.055 158 R CA 0.734 56.864 56.100 0.050 0.000 0.996 158 R CB 0.155 30.475 30.300 0.033 0.000 0.901 158 R HN 0.480 nan 8.270 nan 0.000 0.456 159 E N 1.048 121.256 120.200 0.013 0.000 2.047 159 E HA -0.149 4.201 4.350 -0.001 0.000 0.191 159 E C 2.112 178.708 176.600 -0.006 0.000 0.987 159 E CA 1.087 57.485 56.400 -0.003 0.000 0.799 159 E CB -0.083 29.610 29.700 -0.012 0.000 0.752 159 E HN 0.320 nan 8.360 nan 0.000 0.449 160 A N 1.518 124.333 122.820 -0.007 0.000 1.873 160 A HA -0.241 4.078 4.320 -0.001 0.000 0.218 160 A C 2.208 179.790 177.584 -0.004 0.000 1.193 160 A CA 1.524 53.555 52.037 -0.010 0.000 0.629 160 A CB -0.846 18.149 19.000 -0.010 0.000 0.826 160 A HN 0.161 nan 8.150 nan 0.000 0.447 161 I N -0.054 120.520 120.570 0.008 0.000 2.118 161 I HA -0.292 3.878 4.170 -0.001 0.000 0.241 161 I C 1.903 178.015 176.117 -0.008 0.000 1.070 161 I CA 1.787 63.087 61.300 -0.001 0.000 1.327 161 I CB -0.599 37.404 38.000 0.006 0.000 1.034 161 I HN 0.263 nan 8.210 nan 0.000 0.405 162 D N 0.230 120.626 120.400 -0.006 0.000 2.221 162 D HA -0.181 4.459 4.640 -0.001 0.000 0.204 162 D C 2.221 178.514 176.300 -0.011 0.000 0.982 162 D CA 1.009 55.003 54.000 -0.009 0.000 0.857 162 D CB -0.263 40.532 40.800 -0.007 0.000 0.934 162 D HN 0.280 nan 8.370 nan 0.000 0.475 163 R N 0.061 120.554 120.500 -0.012 0.000 2.075 163 R HA 0.056 4.395 4.340 -0.001 0.000 0.226 163 R C 2.299 178.590 176.300 -0.016 0.000 1.114 163 R CA 0.284 56.376 56.100 -0.014 0.000 0.972 163 R CB -0.199 30.092 30.300 -0.015 0.000 0.869 163 R HN 0.150 nan 8.270 nan 0.000 0.437 164 L N 0.903 122.115 121.223 -0.018 0.000 2.141 164 L HA -0.124 4.216 4.340 -0.001 0.000 0.209 164 L C 1.804 178.661 176.870 -0.022 0.000 1.094 164 L CA 1.362 56.189 54.840 -0.022 0.000 0.763 164 L CB -0.121 41.921 42.059 -0.028 0.000 0.908 164 L HN 0.341 nan 8.230 nan 0.000 0.437 165 L N -0.635 120.576 121.223 -0.020 0.000 2.217 165 L HA -0.105 4.234 4.340 -0.001 0.000 0.211 165 L C 2.709 179.569 176.870 -0.017 0.000 1.107 165 L CA 0.716 55.545 54.840 -0.019 0.000 0.783 165 L CB -0.536 41.512 42.059 -0.018 0.000 0.919 165 L HN 0.268 nan 8.230 nan 0.000 0.442 166 A N 0.057 122.868 122.820 -0.015 0.000 1.832 166 A HA -0.087 4.233 4.320 -0.001 0.000 0.214 166 A C 1.684 179.260 177.584 -0.014 0.000 1.204 166 A CA 1.591 53.620 52.037 -0.013 0.000 0.606 166 A CB -0.938 18.055 19.000 -0.012 0.000 0.849 166 A HN 0.432 nan 8.150 nan 0.000 0.445 167 T N -2.885 111.660 114.554 -0.014 0.000 2.681 167 T HA 0.494 4.844 4.350 -0.001 0.000 0.333 167 T C 0.649 175.339 174.700 -0.018 0.000 1.049 167 T CA -0.121 61.970 62.100 -0.015 0.000 1.002 167 T CB 0.541 69.400 68.868 -0.015 0.000 1.161 167 T HN 0.771 nan 8.240 nan 0.000 0.519 168 G N -1.083 107.706 108.800 -0.019 0.000 3.108 168 G HA2 0.587 4.547 3.960 -0.001 0.000 0.268 168 G HA3 0.587 4.547 3.960 -0.001 0.000 0.268 168 G C 0.013 174.899 174.900 -0.024 0.000 1.361 168 G CA -0.491 44.595 45.100 -0.023 0.000 1.047 168 G HN 1.390 nan 8.290 nan 0.000 0.540 169 V N -1.187 118.709 119.914 -0.029 0.000 2.901 169 V HA 0.453 4.573 4.120 -0.001 0.000 0.307 169 V C 0.537 176.617 176.094 -0.022 0.000 1.084 169 V CA -0.561 61.721 62.300 -0.030 0.000 1.184 169 V CB 0.283 32.082 31.823 -0.039 0.000 0.941 169 V HN 0.619 nan 8.190 nan 0.000 0.493 170 R N 2.096 122.585 120.500 -0.018 0.000 2.694 170 R HA 0.323 4.663 4.340 -0.001 0.000 0.268 170 R C 0.201 176.493 176.300 -0.014 0.000 1.061 170 R CA -0.071 56.022 56.100 -0.013 0.000 1.133 170 R CB 0.200 30.496 30.300 -0.007 0.000 1.020 170 R HN 0.964 nan 8.270 nan 0.000 0.475 171 E N 0.475 120.667 120.200 -0.012 0.000 2.373 171 E HA 0.093 4.443 4.350 -0.001 0.000 0.267 171 E C -0.845 175.749 176.600 -0.011 0.000 1.032 171 E CA -0.227 56.166 56.400 -0.013 0.000 0.889 171 E CB 0.732 30.424 29.700 -0.012 0.000 0.984 171 E HN 0.235 nan 8.360 nan 0.000 0.425 172 V N 7.064 126.971 119.914 -0.012 0.000 2.479 172 V HA 0.157 4.277 4.120 -0.001 0.000 0.281 172 V C -1.525 174.561 176.094 -0.013 0.000 1.031 172 V CA -1.184 61.109 62.300 -0.012 0.000 1.038 172 V CB 0.099 31.911 31.823 -0.018 0.000 0.981 172 V HN 0.775 nan 8.190 nan 0.000 0.478 173 P HA 0.328 nan 4.420 nan 0.000 0.277 173 P C -0.169 177.116 177.300 -0.025 0.000 1.276 173 P CA -0.275 62.814 63.100 -0.018 0.000 0.788 173 P CB 0.399 32.088 31.700 -0.018 0.000 1.114 174 Q N -0.045 119.735 119.800 -0.033 0.000 2.349 174 Q HA 0.382 4.722 4.340 -0.001 0.000 0.287 174 Q C 0.607 176.575 176.000 -0.053 0.000 1.044 174 Q CA 0.060 55.839 55.803 -0.041 0.000 0.918 174 Q CB -0.974 27.735 28.738 -0.049 0.000 1.242 174 Q HN 0.618 nan 8.270 nan 0.000 0.405 175 S N 1.165 116.836 115.700 -0.048 0.000 2.578 175 S HA 0.756 5.225 4.470 -0.001 0.000 0.283 175 S C -0.277 174.272 174.600 -0.085 0.000 1.195 175 S CA -0.793 57.379 58.200 -0.048 0.000 1.050 175 S CB 1.328 64.519 63.200 -0.016 0.000 1.012 175 S HN 0.717 nan 8.310 nan 0.000 0.511 176 R N 0.731 121.163 120.500 -0.113 0.000 2.668 176 R HA 0.648 4.988 4.340 -0.001 0.000 0.279 176 R C -0.606 175.694 176.300 0.000 0.000 0.976 176 R CA -0.540 55.447 56.100 -0.188 0.000 0.978 176 R CB 1.879 31.788 30.300 -0.652 0.000 1.133 176 R HN 0.672 nan 8.270 nan 0.000 0.484 177 S N 0.847 116.550 115.700 0.006 0.000 2.473 177 S HA 0.600 5.070 4.470 -0.001 0.000 0.307 177 S C -0.404 174.255 174.600 0.098 0.000 1.094 177 S CA -0.649 57.570 58.200 0.032 0.000 1.070 177 S CB 1.395 64.575 63.200 -0.033 0.000 1.019 177 S HN 0.475 nan 8.310 nan 0.000 0.480 178 V N 2.505 122.461 119.914 0.069 0.000 2.743 178 V HA 0.531 4.651 4.120 -0.001 0.000 0.301 178 V C -0.071 176.028 176.094 0.008 0.000 1.057 178 V CA -0.728 61.604 62.300 0.053 0.000 1.006 178 V CB 1.046 32.865 31.823 -0.005 0.000 1.024 178 V HN 0.907 nan 8.190 nan 0.000 0.473 179 D N 2.247 122.657 120.400 0.017 0.000 2.485 179 D HA 0.397 5.037 4.640 -0.001 0.000 0.221 179 D C 0.604 176.907 176.300 0.005 0.000 1.112 179 D CA 0.161 54.167 54.000 0.010 0.000 0.911 179 D CB 1.214 42.029 40.800 0.025 0.000 1.019 179 D HN 0.609 nan 8.370 nan 0.000 0.516 180 V N 1.395 121.295 119.914 -0.022 0.000 3.544 180 V HA 0.103 4.223 4.120 -0.001 0.000 0.304 180 V C 1.236 177.340 176.094 0.016 0.000 1.256 180 V CA 0.288 62.561 62.300 -0.045 0.000 1.232 180 V CB -0.223 31.522 31.823 -0.131 0.000 1.065 180 V HN 0.356 nan 8.190 nan 0.000 0.423 181 S N 0.893 116.643 115.700 0.082 0.000 2.355 181 S HA -0.034 4.436 4.470 -0.001 0.000 0.222 181 S C 0.671 175.443 174.600 0.286 0.000 1.031 181 S CA 1.148 59.451 58.200 0.171 0.000 0.993 181 S CB -0.247 63.012 63.200 0.098 0.000 0.859 181 S HN 0.782 nan 8.310 nan 0.000 0.453 182 D N 0.828 121.345 120.400 0.195 0.000 2.411 182 D HA 0.383 5.023 4.640 -0.001 0.000 0.251 182 D C 0.499 176.957 176.300 0.264 0.000 1.201 182 D CA -0.396 53.697 54.000 0.155 0.000 0.996 182 D CB 0.299 41.147 40.800 0.081 0.000 1.101 182 D HN -0.018 nan 8.370 nan 0.000 0.504 183 D N -0.798 119.688 120.400 0.142 0.000 2.130 183 D HA 0.123 4.763 4.640 -0.001 0.000 0.292 183 D C -1.530 174.834 176.300 0.107 0.000 1.146 183 D CA 0.173 54.277 54.000 0.173 0.000 0.883 183 D CB -0.259 40.609 40.800 0.113 0.000 0.936 183 D HN 0.308 nan 8.370 nan 0.000 0.298 184 P HA 0.220 nan 4.420 nan 0.000 0.269 184 P C -0.467 176.861 177.300 0.046 0.000 1.857 184 P CA 0.075 63.203 63.100 0.047 0.000 1.213 184 P CB 0.447 32.161 31.700 0.023 0.000 1.702 185 S N -1.458 114.287 115.700 0.074 0.000 2.593 185 S HA 0.291 4.761 4.470 -0.001 0.000 0.217 185 S C 1.567 176.224 174.600 0.094 0.000 0.966 185 S CA 0.524 58.765 58.200 0.068 0.000 0.914 185 S CB -1.008 62.230 63.200 0.063 0.000 0.776 185 S HN 0.329 nan 8.310 nan 0.000 0.523 186 G N 0.977 109.845 108.800 0.112 0.000 2.147 186 G HA2 -0.298 3.662 3.960 -0.001 0.000 0.244 186 G HA3 -0.298 3.662 3.960 -0.001 0.000 0.244 186 G C -0.175 174.798 174.900 0.123 0.000 1.005 186 G CA -0.061 45.089 45.100 0.083 0.000 0.713 186 G HN 0.667 nan 8.290 nan 0.000 0.515 187 F N 1.296 121.289 119.950 0.071 0.000 2.546 187 F HA 0.444 4.971 4.527 -0.000 0.000 0.388 187 F C 1.409 177.270 175.800 0.101 0.000 1.051 187 F CA 1.052 59.121 58.000 0.116 0.000 1.130 187 F CB 0.286 39.406 39.000 0.200 0.000 1.044 187 F HN 0.245 nan 8.300 nan 0.000 0.553 188 R N 2.876 123.333 120.500 -0.073 0.000 2.259 188 R HA -0.139 4.201 4.340 -0.001 0.000 0.026 188 R C 1.987 178.228 176.300 -0.098 0.000 0.846 188 R CA 0.664 56.738 56.100 -0.044 0.000 3.237 188 R CB -0.835 29.431 30.300 -0.056 0.000 0.689 188 R HN 0.627 nan 8.270 nan 0.000 0.595 189 R N 1.552 122.010 120.500 -0.069 0.000 2.115 189 R HA -0.067 4.273 4.340 -0.001 0.000 0.239 189 R C 2.127 178.373 176.300 -0.089 0.000 1.133 189 R CA 2.519 58.582 56.100 -0.062 0.000 0.935 189 R CB -0.146 30.133 30.300 -0.034 0.000 0.853 189 R HN 0.233 nan 8.270 nan 0.000 0.433 190 R N -0.295 120.135 120.500 -0.117 0.000 2.083 190 R HA -0.111 4.229 4.340 -0.001 0.000 0.237 190 R C 2.364 178.555 176.300 -0.183 0.000 1.137 190 R CA 1.674 57.696 56.100 -0.129 0.000 0.951 190 R CB -0.606 29.624 30.300 -0.116 0.000 0.851 190 R HN 0.131 nan 8.270 nan 0.000 0.434 191 V N 1.476 121.185 119.914 -0.341 0.000 2.324 191 V HA -0.312 3.808 4.120 -0.001 0.000 0.250 191 V C 2.513 178.524 176.094 -0.138 0.000 1.060 191 V CA 2.139 64.264 62.300 -0.292 0.000 1.042 191 V CB -0.800 30.791 31.823 -0.388 0.000 0.650 191 V HN 0.465 nan 8.190 nan 0.000 0.450 192 A N -0.595 122.157 122.820 -0.114 0.000 1.969 192 A HA -0.112 4.208 4.320 -0.001 0.000 0.218 192 A C 2.350 179.904 177.584 -0.049 0.000 1.169 192 A CA 1.761 53.758 52.037 -0.066 0.000 0.635 192 A CB -0.516 18.451 19.000 -0.055 0.000 0.810 192 A HN 0.364 nan 8.150 nan 0.000 0.445 193 V N -0.102 119.784 119.914 -0.047 0.000 2.343 193 V HA -0.243 3.876 4.120 -0.001 0.000 0.247 193 V C 3.042 179.133 176.094 -0.004 0.000 1.051 193 V CA 1.872 64.159 62.300 -0.021 0.000 1.036 193 V CB -1.265 30.554 31.823 -0.007 0.000 0.654 193 V HN 0.597 nan 8.190 nan 0.000 0.451 194 A N -0.133 122.690 122.820 0.004 0.000 1.902 194 A HA -0.165 4.155 4.320 -0.001 0.000 0.217 194 A C 2.402 179.991 177.584 0.009 0.000 1.181 194 A CA 2.062 54.139 52.037 0.066 0.000 0.623 194 A CB -0.736 18.305 19.000 0.068 0.000 0.818 194 A HN 0.331 nan 8.150 nan 0.000 0.443 195 V N 0.529 120.428 119.914 -0.025 0.000 2.392 195 V HA -0.257 3.863 4.120 -0.001 0.000 0.249 195 V C 2.227 178.284 176.094 -0.061 0.000 1.059 195 V CA 2.335 64.610 62.300 -0.041 0.000 1.051 195 V CB -0.741 31.060 31.823 -0.036 0.000 0.658 195 V HN 0.506 nan 8.190 nan 0.000 0.455 196 D N -0.104 120.262 120.400 -0.056 0.000 2.084 196 D HA -0.145 4.495 4.640 -0.001 0.000 0.196 196 D C 2.249 178.489 176.300 -0.100 0.000 0.985 196 D CA 1.343 55.305 54.000 -0.062 0.000 0.826 196 D CB -0.185 40.589 40.800 -0.042 0.000 0.978 196 D HN 0.560 nan 8.370 nan 0.000 0.456 197 E N 0.281 120.404 120.200 -0.129 0.000 2.118 197 E HA -0.160 4.190 4.350 -0.001 0.000 0.195 197 E C 2.332 178.676 176.600 -0.428 0.000 0.992 197 E CA 0.547 56.792 56.400 -0.260 0.000 0.804 197 E CB -0.068 29.464 29.700 -0.280 0.000 0.741 197 E HN 0.358 nan 8.360 nan 0.000 0.458 198 I N 1.089 121.439 120.570 -0.366 0.000 2.252 198 I HA -0.228 3.941 4.170 -0.001 0.000 0.245 198 I C 2.551 178.572 176.117 -0.161 0.000 1.102 198 I CA 0.872 61.994 61.300 -0.297 0.000 1.385 198 I CB -0.271 37.631 38.000 -0.164 0.000 1.064 198 I HN 0.068 nan 8.210 nan 0.000 0.414 199 A N 0.686 123.436 122.820 -0.117 0.000 1.972 199 A HA -0.084 4.236 4.320 -0.001 0.000 0.219 199 A C 2.385 179.927 177.584 -0.070 0.000 1.169 199 A CA 1.660 53.655 52.037 -0.071 0.000 0.635 199 A CB -0.658 18.311 19.000 -0.051 0.000 0.810 199 A HN 0.425 nan 8.150 nan 0.000 0.446 200 A N -1.775 120.987 122.820 -0.097 0.000 2.235 200 A HA 0.395 4.715 4.320 -0.001 0.000 0.208 200 A C 1.795 179.332 177.584 -0.079 0.000 1.172 200 A CA 1.221 53.211 52.037 -0.078 0.000 0.786 200 A CB -0.955 17.998 19.000 -0.079 0.000 0.804 200 A HN 1.883 nan 8.150 nan 0.000 0.479 201 G N -0.511 108.228 108.800 -0.101 0.000 2.136 201 G HA2 -0.307 3.652 3.960 -0.001 0.000 0.242 201 G HA3 -0.307 3.652 3.960 -0.001 0.000 0.242 201 G C 0.950 175.791 174.900 -0.097 0.000 0.989 201 G CA 0.553 45.608 45.100 -0.074 0.000 0.682 201 G HN 0.589 nan 8.290 nan 0.000 0.522 202 R N -1.083 119.289 120.500 -0.212 0.000 2.115 202 R HA 0.186 4.525 4.340 -0.001 0.000 0.230 202 R C 1.074 177.330 176.300 -0.073 0.000 1.111 202 R CA 1.870 57.859 56.100 -0.185 0.000 0.976 202 R CB -0.179 29.959 30.300 -0.269 0.000 0.870 202 R HN 0.984 nan 8.270 nan 0.000 0.445 203 Y N -6.109 114.217 120.300 0.043 0.000 2.852 203 Y HA 0.244 4.794 4.550 -0.001 0.000 0.350 203 Y C 0.413 176.372 175.900 0.098 0.000 1.272 203 Y CA -1.191 56.948 58.100 0.065 0.000 1.086 203 Y CB 0.386 38.873 38.460 0.045 0.000 1.408 203 Y HN -0.195 nan 8.280 nan 0.000 0.447 204 H N 0.457 119.689 119.070 0.271 0.000 2.729 204 H HA 0.410 4.966 4.556 -0.001 0.000 0.263 204 H C -0.618 174.824 175.328 0.190 0.000 0.961 204 H CA 0.631 56.772 56.048 0.155 0.000 1.217 204 H CB 0.705 30.528 29.762 0.102 0.000 1.447 204 H HN 0.585 nan 8.280 nan 0.000 0.496 205 K N 0.964 121.490 120.400 0.211 0.000 2.557 205 K HA 0.378 4.698 4.320 -0.001 0.000 0.261 205 K C -2.182 174.459 176.600 0.068 0.000 0.932 205 K CA -0.577 55.761 56.287 0.086 0.000 0.829 205 K CB 2.886 35.416 32.500 0.051 0.000 1.358 205 K HN -0.002 nan 8.250 nan 0.000 0.430 206 V N 4.556 124.491 119.914 0.036 0.000 2.971 206 V HA 0.549 4.669 4.120 -0.001 0.000 0.309 206 V C -1.564 174.534 176.094 0.007 0.000 1.130 206 V CA -0.875 61.391 62.300 -0.057 0.000 0.964 206 V CB 1.996 33.728 31.823 -0.153 0.000 1.029 206 V HN 0.704 nan 8.190 nan 0.000 0.427 207 I N 6.302 126.876 120.570 0.006 0.000 2.307 207 I HA 0.435 4.604 4.170 -0.001 0.000 0.289 207 I C -0.062 176.093 176.117 0.063 0.000 1.021 207 I CA 0.246 61.576 61.300 0.051 0.000 1.224 207 I CB 1.205 39.232 38.000 0.045 0.000 1.376 207 I HN 0.393 nan 8.210 nan 0.000 0.470 208 L N 5.721 127.012 121.223 0.113 0.000 2.343 208 L HA 0.644 4.983 4.340 -0.001 0.000 0.275 208 L C 0.507 177.560 176.870 0.306 0.000 1.056 208 L CA -0.374 54.560 54.840 0.157 0.000 0.804 208 L CB 1.547 43.648 42.059 0.069 0.000 1.203 208 L HN 0.702 nan 8.230 nan 0.000 0.440 209 S N 2.275 118.115 115.700 0.234 0.000 2.806 209 S HA 0.779 5.249 4.470 -0.001 0.000 0.315 209 S C -0.690 173.965 174.600 0.091 0.000 1.127 209 S CA -0.923 57.338 58.200 0.101 0.000 0.918 209 S CB 2.535 65.645 63.200 -0.150 0.000 1.240 209 S HN 0.687 nan 8.310 nan 0.000 0.552 210 R N -0.346 120.078 120.500 -0.127 0.000 2.522 210 R HA 0.470 4.810 4.340 -0.001 0.000 0.273 210 R C -1.939 174.280 176.300 -0.135 0.000 1.133 210 R CA -0.534 55.492 56.100 -0.124 0.000 0.969 210 R CB 1.162 31.220 30.300 -0.404 0.000 1.235 210 R HN 0.876 nan 8.270 nan 0.000 0.433 211 C N 3.722 122.988 119.300 -0.056 0.000 2.388 211 C HA 0.554 5.013 4.460 -0.001 0.000 0.362 211 C C 0.111 175.106 174.990 0.009 0.000 1.266 211 C CA -0.607 58.423 59.018 0.021 0.000 2.028 211 C CB 0.924 28.649 27.740 -0.023 0.000 2.440 211 C HN 0.440 nan 8.230 nan 0.000 0.547 212 V N 3.521 123.462 119.914 0.046 0.000 2.357 212 V HA 0.305 4.425 4.120 -0.001 0.000 0.284 212 V C -0.096 176.044 176.094 0.077 0.000 1.018 212 V CA -0.324 61.988 62.300 0.020 0.000 0.841 212 V CB 1.299 33.102 31.823 -0.033 0.000 0.991 212 V HN 0.821 nan 8.190 nan 0.000 0.437 213 E N 2.776 123.004 120.200 0.048 0.000 2.331 213 E HA 0.461 4.811 4.350 -0.001 0.000 0.272 213 E C -0.720 175.872 176.600 -0.013 0.000 1.036 213 E CA -0.122 56.315 56.400 0.061 0.000 0.864 213 E CB 1.706 31.417 29.700 0.019 0.000 1.035 213 E HN 0.476 nan 8.360 nan 0.000 0.408 214 V N 6.429 126.309 119.914 -0.055 0.000 2.328 214 V HA 0.186 4.305 4.120 -0.001 0.000 0.278 214 V C -1.755 174.173 176.094 -0.277 0.000 1.021 214 V CA -1.344 60.797 62.300 -0.264 0.000 0.838 214 V CB 1.225 32.817 31.823 -0.386 0.000 0.999 214 V HN 0.692 nan 8.190 nan 0.000 0.447 215 P HA -0.069 nan 4.420 nan 0.000 0.208 215 P C 0.573 177.860 177.300 -0.022 0.000 1.200 215 P CA 0.650 63.723 63.100 -0.046 0.000 0.924 215 P CB -0.024 31.727 31.700 0.086 0.000 0.774 216 F N -0.381 119.585 119.950 0.026 0.000 2.626 216 F HA 0.360 4.887 4.527 -0.000 0.000 0.354 216 F C 0.515 176.338 175.800 0.038 0.000 1.168 216 F CA -1.632 56.383 58.000 0.026 0.000 1.368 216 F CB -0.589 38.418 39.000 0.011 0.000 1.092 216 F HN 0.006 nan 8.300 nan 0.000 0.612 217 A N 2.387 125.317 122.820 0.185 0.000 2.340 217 A HA 0.628 4.948 4.320 -0.001 0.000 0.268 217 A C 0.161 177.847 177.584 0.171 0.000 1.100 217 A CA -0.136 51.971 52.037 0.118 0.000 0.803 217 A CB -0.198 18.886 19.000 0.140 0.000 1.043 217 A HN 1.570 nan 8.150 nan 0.000 0.488 218 I N 1.259 121.878 120.570 0.081 0.000 2.428 218 I HA 0.419 4.589 4.170 -0.001 0.000 0.289 218 I C 0.300 176.509 176.117 0.153 0.000 1.019 218 I CA -0.626 60.691 61.300 0.027 0.000 1.351 218 I CB 0.603 38.383 38.000 -0.367 0.000 1.412 218 I HN 0.835 nan 8.210 nan 0.000 0.513 219 D N 4.236 124.709 120.400 0.123 0.000 2.316 219 D HA 0.242 4.882 4.640 -0.001 0.000 0.245 219 D C 0.446 176.829 176.300 0.139 0.000 1.171 219 D CA 0.091 54.190 54.000 0.165 0.000 0.856 219 D CB 0.863 41.732 40.800 0.115 0.000 1.090 219 D HN 0.554 nan 8.370 nan 0.000 0.476 220 F N 3.765 123.749 119.950 0.056 0.000 2.053 220 F HA -0.018 4.509 4.527 -0.000 0.000 0.292 220 F C -0.606 175.251 175.800 0.096 0.000 1.125 220 F CA 0.770 58.801 58.000 0.053 0.000 1.193 220 F CB -1.013 38.004 39.000 0.027 0.000 0.996 220 F HN 0.421 nan 8.300 nan 0.000 0.470 221 P HA -0.178 nan 4.420 nan 0.000 0.216 221 P C 1.859 179.270 177.300 0.185 0.000 1.150 221 P CA 2.154 65.376 63.100 0.204 0.000 0.837 221 P CB -0.331 31.441 31.700 0.120 0.000 0.786 222 L N -1.442 119.856 121.223 0.126 0.000 2.156 222 L HA -0.062 4.277 4.340 -0.001 0.000 0.208 222 L C 2.490 179.395 176.870 0.058 0.000 1.095 222 L CA 2.713 57.600 54.840 0.079 0.000 0.770 222 L CB -2.371 39.720 42.059 0.054 0.000 0.914 222 L HN 0.056 nan 8.230 nan 0.000 0.439 223 T N -1.868 112.712 114.554 0.043 0.000 2.857 223 T HA -0.133 4.217 4.350 -0.001 0.000 0.266 223 T C 1.845 176.576 174.700 0.051 0.000 1.048 223 T CA 1.567 63.665 62.100 -0.003 0.000 1.139 223 T CB -0.392 68.397 68.868 -0.131 0.000 0.874 223 T HN 0.745 nan 8.240 nan 0.000 0.455 224 Y N 2.213 122.514 120.300 0.002 0.000 2.128 224 Y HA -0.180 4.370 4.550 -0.000 0.000 0.284 224 Y C 2.520 178.492 175.900 0.120 0.000 1.154 224 Y CA 1.365 59.515 58.100 0.084 0.000 1.149 224 Y CB -0.172 38.322 38.460 0.057 0.000 0.976 224 Y HN -0.015 nan 8.280 nan 0.000 0.505 225 R N 0.179 120.761 120.500 0.136 0.000 2.122 225 R HA -0.257 4.083 4.340 -0.001 0.000 0.236 225 R C 2.439 178.658 176.300 -0.135 0.000 1.129 225 R CA 2.239 58.338 56.100 -0.002 0.000 0.925 225 R CB -0.976 29.349 30.300 0.042 0.000 0.850 225 R HN 0.470 nan 8.270 nan 0.000 0.431 226 L N -0.077 121.075 121.223 -0.118 0.000 2.013 226 L HA -0.163 4.177 4.340 -0.001 0.000 0.212 226 L C 2.286 178.892 176.870 -0.441 0.000 1.073 226 L CA 1.877 56.587 54.840 -0.217 0.000 0.753 226 L CB -0.625 41.326 42.059 -0.180 0.000 0.890 226 L HN 0.416 nan 8.230 nan 0.000 0.432 227 G N -1.100 107.459 108.800 -0.402 0.000 2.443 227 G HA2 -0.290 3.670 3.960 -0.001 0.000 0.219 227 G HA3 -0.290 3.670 3.960 -0.001 0.000 0.219 227 G C 1.606 175.998 174.900 -0.847 0.000 1.131 227 G CA 0.532 45.259 45.100 -0.622 0.000 0.775 227 G HN 0.223 nan 8.290 nan 0.000 0.547 228 R N 0.740 120.874 120.500 -0.610 0.000 2.148 228 R HA 0.078 4.417 4.340 -0.001 0.000 0.223 228 R C 2.681 178.784 176.300 -0.328 0.000 1.088 228 R CA 1.562 57.349 56.100 -0.521 0.000 0.985 228 R CB -0.645 29.416 30.300 -0.400 0.000 0.880 228 R HN 0.306 nan 8.270 nan 0.000 0.451 229 R N -0.630 119.714 120.500 -0.260 0.000 2.200 229 R HA 0.063 4.403 4.340 -0.001 0.000 0.208 229 R C 1.581 177.721 176.300 -0.266 0.000 1.033 229 R CA 1.502 57.497 56.100 -0.175 0.000 1.000 229 R CB -1.095 29.157 30.300 -0.079 0.000 0.906 229 R HN 0.551 nan 8.270 nan 0.000 0.462 230 H N -1.893 116.861 119.070 -0.526 0.000 2.586 230 H HA 0.246 4.802 4.556 -0.001 0.000 0.273 230 H C 0.649 175.751 175.328 -0.376 0.000 0.997 230 H CA 0.351 56.090 56.048 -0.516 0.000 1.177 230 H CB 0.706 29.847 29.762 -1.035 0.000 1.471 230 H HN 0.547 nan 8.280 nan 0.000 0.538 231 N N 0.133 118.639 118.700 -0.324 0.000 2.594 231 N HA 0.007 4.747 4.740 -0.001 0.000 0.237 231 N C 0.005 175.413 175.510 -0.169 0.000 1.057 231 N CA 0.899 53.792 53.050 -0.262 0.000 0.883 231 N CB 1.022 39.227 38.487 -0.469 0.000 1.538 231 N HN 0.236 nan 8.380 nan 0.000 0.451 232 T N 2.071 116.521 114.554 -0.173 0.000 2.923 232 T HA -0.098 4.252 4.350 -0.001 0.000 0.463 232 T C -2.579 172.106 174.700 -0.024 0.000 0.780 232 T CA 0.212 62.269 62.100 -0.072 0.000 2.436 232 T CB -1.615 67.218 68.868 -0.057 0.000 1.675 232 T HN 0.184 nan 8.240 nan 0.000 0.598 233 P HA 0.753 nan 4.420 nan 0.000 0.304 233 P C 1.142 178.469 177.300 0.044 0.000 1.310 233 P CA -0.001 63.142 63.100 0.070 0.000 0.796 233 P CB 1.490 33.295 31.700 0.176 0.000 1.297 234 V N -0.951 118.994 119.914 0.051 0.000 2.575 234 V HA 0.222 4.342 4.120 -0.001 0.000 0.242 234 V C 0.663 176.751 176.094 -0.010 0.000 1.045 234 V CA 1.021 63.329 62.300 0.014 0.000 1.065 234 V CB -0.262 31.576 31.823 0.025 0.000 0.717 234 V HN 0.387 nan 8.190 nan 0.000 0.467 235 R N -0.508 120.025 120.500 0.055 0.000 2.771 235 R HA 0.676 5.016 4.340 -0.001 0.000 0.274 235 R C -1.339 175.087 176.300 0.210 0.000 0.987 235 R CA -0.167 55.970 56.100 0.061 0.000 0.908 235 R CB 2.071 32.432 30.300 0.101 0.000 1.213 235 R HN 0.279 nan 8.270 nan 0.000 0.468 236 S N 1.419 117.278 115.700 0.265 0.000 2.556 236 S HA 0.774 5.243 4.470 -0.001 0.000 0.271 236 S C -1.692 173.244 174.600 0.559 0.000 1.135 236 S CA -0.714 57.728 58.200 0.403 0.000 0.858 236 S CB 1.065 64.569 63.200 0.506 0.000 1.114 236 S HN 0.465 nan 8.310 nan 0.000 0.468 237 F N 2.121 122.247 119.950 0.293 0.000 2.643 237 F HA 0.920 5.446 4.527 -0.000 0.000 0.314 237 F C -1.705 174.116 175.800 0.035 0.000 1.096 237 F CA -1.248 56.878 58.000 0.211 0.000 0.953 237 F CB 1.300 40.370 39.000 0.116 0.000 1.345 237 F HN 0.549 nan 8.300 nan 0.000 0.468 238 L N 4.029 125.260 121.223 0.012 0.000 2.493 238 L HA 0.829 5.169 4.340 -0.001 0.000 0.265 238 L C -1.968 174.986 176.870 0.139 0.000 0.954 238 L CA -0.599 54.189 54.840 -0.086 0.000 0.844 238 L CB 2.005 43.881 42.059 -0.305 0.000 1.302 238 L HN 0.971 nan 8.230 nan 0.000 0.405 239 L N 1.770 123.026 121.223 0.054 0.000 2.341 239 L HA 0.774 5.114 4.340 -0.001 0.000 0.254 239 L C -1.000 175.544 176.870 -0.544 0.000 1.040 239 L CA -0.551 54.153 54.840 -0.228 0.000 0.837 239 L CB 1.895 43.921 42.059 -0.054 0.000 1.425 239 L HN 0.784 nan 8.230 nan 0.000 0.414 240 Q N 0.875 120.151 119.800 -0.874 0.000 2.533 240 Q HA 0.470 4.810 4.340 -0.001 0.000 0.251 240 Q C -1.356 174.354 176.000 -0.483 0.000 0.966 240 Q CA -0.438 54.970 55.803 -0.659 0.000 0.714 240 Q CB 1.566 29.868 28.738 -0.726 0.000 1.284 240 Q HN 0.833 nan 8.270 nan 0.000 0.478 241 L N 3.034 124.086 121.223 -0.286 0.000 2.783 241 L HA 0.605 4.945 4.340 -0.001 0.000 0.174 241 L C 1.290 178.086 176.870 -0.123 0.000 1.235 241 L CA 1.780 56.492 54.840 -0.213 0.000 0.862 241 L CB -0.466 41.551 42.059 -0.070 0.000 1.249 241 L HN 0.628 nan 8.230 nan 0.000 0.518 242 G N -0.992 107.814 108.800 0.010 0.000 2.586 242 G HA2 0.157 4.117 3.960 -0.001 0.000 0.199 242 G HA3 0.157 4.117 3.960 -0.001 0.000 0.199 242 G C 0.567 175.452 174.900 -0.025 0.000 1.614 242 G CA 0.375 45.484 45.100 0.015 0.000 0.921 242 G HN 0.537 nan 8.290 nan 0.000 0.428 243 G N -0.114 108.687 108.800 0.002 0.000 4.486 243 G HA2 0.485 4.444 3.960 -0.001 0.000 0.306 243 G HA3 0.485 4.444 3.960 -0.001 0.000 0.306 243 G C -0.551 174.331 174.900 -0.029 0.000 1.331 243 G CA -0.256 44.831 45.100 -0.021 0.000 1.113 243 G HN 0.498 nan 8.290 nan 0.000 0.594 244 I N -0.461 120.071 120.570 -0.064 0.000 2.533 244 I HA 0.646 4.816 4.170 -0.001 0.000 0.290 244 I C -0.979 174.992 176.117 -0.243 0.000 1.056 244 I CA -1.275 59.968 61.300 -0.096 0.000 1.057 244 I CB 1.832 39.819 38.000 -0.022 0.000 1.240 244 I HN 0.018 nan 8.210 nan 0.000 0.423 245 R N 5.873 126.134 120.500 -0.398 0.000 2.604 245 R HA 0.915 5.254 4.340 -0.001 0.000 0.287 245 R C -0.939 175.093 176.300 -0.447 0.000 0.970 245 R CA -0.679 54.986 56.100 -0.726 0.000 0.946 245 R CB 1.949 31.256 30.300 -1.656 0.000 1.127 245 R HN 0.725 nan 8.270 nan 0.000 0.473 246 A N 2.118 124.822 122.820 -0.194 0.000 2.609 246 A HA 0.791 5.111 4.320 -0.001 0.000 0.291 246 A C -1.737 175.900 177.584 0.088 0.000 1.096 246 A CA -0.794 51.321 52.037 0.131 0.000 0.684 246 A CB 1.938 21.095 19.000 0.261 0.000 1.282 246 A HN 0.705 nan 8.150 nan 0.000 0.412 247 L N 0.204 121.227 121.223 -0.333 0.000 2.666 247 L HA 0.756 5.095 4.340 -0.001 0.000 0.259 247 L C -0.681 175.487 176.870 -1.170 0.000 0.919 247 L CA 0.159 54.521 54.840 -0.796 0.000 0.927 247 L CB 1.637 43.544 42.059 -0.252 0.000 1.423 247 L HN 1.598 nan 8.230 nan 0.000 0.426 248 G N 2.068 109.850 108.800 -1.697 0.000 2.692 248 G HA2 0.535 4.495 3.960 -0.001 0.000 0.291 248 G HA3 0.535 4.495 3.960 -0.001 0.000 0.291 248 G C -1.524 172.880 174.900 -0.828 0.000 1.423 248 G CA -0.267 44.242 45.100 -0.985 0.000 0.843 248 G HN 0.660 nan 8.290 nan 0.000 0.486 249 Y N -0.154 120.167 120.300 0.035 0.000 2.610 249 Y HA 0.173 4.723 4.550 -0.000 0.000 0.254 249 Y C 2.272 178.240 175.900 0.112 0.000 1.110 249 Y CA 0.289 58.434 58.100 0.074 0.000 1.238 249 Y CB 1.401 39.869 38.460 0.014 0.000 1.322 249 Y HN 0.562 nan 8.280 nan 0.000 0.547 250 S N -0.871 114.972 115.700 0.237 0.000 2.548 250 S HA 0.192 4.661 4.470 -0.001 0.000 0.215 250 S C -2.376 172.336 174.600 0.186 0.000 0.976 250 S CA -0.498 57.819 58.200 0.196 0.000 0.908 250 S CB -1.000 62.302 63.200 0.170 0.000 0.781 250 S HN -0.037 nan 8.310 nan 0.000 0.519 251 P HA 0.448 nan 4.420 nan 0.000 0.275 251 P C -0.758 176.637 177.300 0.158 0.000 1.227 251 P CA 0.136 63.360 63.100 0.207 0.000 0.781 251 P CB 0.526 32.401 31.700 0.292 0.000 0.906 252 E N 1.236 121.510 120.200 0.122 0.000 2.292 252 E HA 0.290 4.639 4.350 -0.001 0.000 0.272 252 E C -0.774 175.880 176.600 0.089 0.000 0.881 252 E CA -1.119 55.336 56.400 0.091 0.000 0.754 252 E CB 1.575 31.317 29.700 0.070 0.000 1.201 252 E HN 0.312 nan 8.360 nan 0.000 0.425 253 L N 4.414 125.684 121.223 0.078 0.000 2.667 253 L HA -0.063 4.277 4.340 -0.001 0.000 0.278 253 L C 0.636 177.545 176.870 0.065 0.000 1.217 253 L CA 0.832 55.715 54.840 0.071 0.000 0.935 253 L CB 0.364 42.453 42.059 0.050 0.000 1.193 253 L HN 0.684 nan 8.230 nan 0.000 0.493 254 V N 2.080 122.039 119.914 0.075 0.000 2.690 254 V HA 0.234 4.354 4.120 -0.001 0.000 0.240 254 V C 0.841 176.978 176.094 0.071 0.000 1.078 254 V CA 0.453 62.794 62.300 0.068 0.000 1.102 254 V CB 0.098 31.967 31.823 0.078 0.000 0.800 254 V HN 0.798 nan 8.190 nan 0.000 0.479 255 T N 1.255 115.858 114.554 0.083 0.000 2.921 255 T HA 0.855 5.205 4.350 -0.001 0.000 0.297 255 T C -0.666 174.064 174.700 0.049 0.000 1.013 255 T CA 0.284 62.427 62.100 0.072 0.000 0.990 255 T CB 1.741 70.669 68.868 0.099 0.000 1.023 255 T HN 0.789 nan 8.240 nan 0.000 0.447 256 A N 2.270 125.109 122.820 0.032 0.000 2.422 256 A HA 0.800 5.119 4.320 -0.001 0.000 0.302 256 A C -1.053 176.534 177.584 0.005 0.000 1.041 256 A CA -0.699 51.346 52.037 0.013 0.000 0.708 256 A CB 1.454 20.461 19.000 0.012 0.000 1.257 256 A HN 0.671 nan 8.150 nan 0.000 0.414 257 V N 3.373 123.281 119.914 -0.010 0.000 2.378 257 V HA 0.382 4.501 4.120 -0.001 0.000 0.288 257 V C 0.406 176.486 176.094 -0.022 0.000 1.016 257 V CA -0.536 61.756 62.300 -0.014 0.000 0.840 257 V CB 1.200 33.011 31.823 -0.021 0.000 0.994 257 V HN 0.972 nan 8.190 nan 0.000 0.431 258 R N 2.694 123.184 120.500 -0.017 0.000 2.615 258 R HA 0.438 4.778 4.340 -0.001 0.000 0.270 258 R C 1.587 177.872 176.300 -0.026 0.000 1.081 258 R CA 0.197 56.285 56.100 -0.021 0.000 1.154 258 R CB 0.668 30.960 30.300 -0.013 0.000 1.063 258 R HN 0.827 nan 8.270 nan 0.000 0.519 259 A N 1.652 124.454 122.820 -0.029 0.000 2.032 259 A HA -0.222 4.098 4.320 -0.001 0.000 0.221 259 A C 1.230 178.800 177.584 -0.024 0.000 1.165 259 A CA 2.129 54.147 52.037 -0.031 0.000 0.645 259 A CB -0.482 18.499 19.000 -0.032 0.000 0.807 259 A HN 0.867 nan 8.150 nan 0.000 0.453 260 D N -3.088 117.302 120.400 -0.018 0.000 2.339 260 D HA 0.316 4.956 4.640 -0.001 0.000 0.217 260 D C 1.124 177.417 176.300 -0.012 0.000 1.050 260 D CA 1.000 54.991 54.000 -0.014 0.000 0.856 260 D CB -0.278 40.516 40.800 -0.011 0.000 0.922 260 D HN 0.767 nan 8.370 nan 0.000 0.518 261 G N 0.028 108.819 108.800 -0.013 0.000 2.231 261 G HA2 -0.211 3.749 3.960 -0.001 0.000 0.206 261 G HA3 -0.211 3.749 3.960 -0.001 0.000 0.206 261 G C 0.232 175.128 174.900 -0.007 0.000 0.996 261 G CA -0.015 45.078 45.100 -0.011 0.000 0.645 261 G HN 0.852 nan 8.290 nan 0.000 0.498 262 V N 0.431 120.342 119.914 -0.005 0.000 2.530 262 V HA 0.772 4.892 4.120 -0.001 0.000 0.282 262 V C 0.504 176.598 176.094 0.001 0.000 1.048 262 V CA -0.688 61.612 62.300 -0.000 0.000 0.997 262 V CB 1.565 33.389 31.823 0.002 0.000 0.987 262 V HN 0.675 nan 8.190 nan 0.000 0.477 263 V N 6.368 126.285 119.914 0.006 0.000 2.472 263 V HA 0.560 4.679 4.120 -0.001 0.000 0.290 263 V C -0.013 176.092 176.094 0.017 0.000 1.037 263 V CA -0.411 61.895 62.300 0.011 0.000 0.908 263 V CB 1.219 33.051 31.823 0.015 0.000 0.985 263 V HN 0.846 nan 8.190 nan 0.000 0.454 264 I N 3.335 123.918 120.570 0.021 0.000 2.433 264 I HA 0.617 4.787 4.170 -0.001 0.000 0.292 264 I C 0.153 176.291 176.117 0.035 0.000 1.001 264 I CA 0.237 61.553 61.300 0.027 0.000 1.119 264 I CB 2.186 40.200 38.000 0.024 0.000 1.289 264 I HN 0.720 nan 8.210 nan 0.000 0.438 265 T N 3.593 118.170 114.554 0.039 0.000 2.906 265 T HA 0.564 4.914 4.350 -0.001 0.000 0.295 265 T C -1.187 173.538 174.700 0.042 0.000 1.075 265 T CA -0.450 61.677 62.100 0.045 0.000 1.005 265 T CB 1.350 70.248 68.868 0.050 0.000 1.136 265 T HN 0.534 nan 8.240 nan 0.000 0.498 266 E N 3.095 123.319 120.200 0.039 0.000 2.873 266 E HA 0.421 4.771 4.350 -0.001 0.000 0.232 266 E C -2.162 174.447 176.600 0.014 0.000 1.123 266 E CA -2.175 54.244 56.400 0.033 0.000 0.809 266 E CB 1.438 31.160 29.700 0.037 0.000 1.366 266 E HN 0.307 nan 8.360 nan 0.000 0.400 267 P HA -0.089 nan 4.420 nan 0.000 0.228 267 P C 0.379 177.639 177.300 -0.068 0.000 1.151 267 P CA 0.596 63.677 63.100 -0.032 0.000 0.770 267 P CB 0.339 32.009 31.700 -0.049 0.000 0.786 268 L N -1.966 119.214 121.223 -0.072 0.000 2.857 268 L HA 0.337 4.676 4.340 -0.001 0.000 0.249 268 L C 0.675 177.541 176.870 -0.008 0.000 1.172 268 L CA -0.629 54.169 54.840 -0.070 0.000 0.980 268 L CB -1.082 40.908 42.059 -0.115 0.000 1.299 268 L HN -0.165 nan 8.230 nan 0.000 0.535 269 A N -0.256 122.565 122.820 0.002 0.000 2.524 269 A HA 0.448 4.768 4.320 -0.001 0.000 0.250 269 A C 1.443 179.036 177.584 0.015 0.000 1.078 269 A CA 0.997 53.046 52.037 0.020 0.000 0.761 269 A CB -0.052 18.965 19.000 0.029 0.000 1.012 269 A HN 0.716 nan 8.150 nan 0.000 0.500 270 G N 1.650 110.466 108.800 0.026 0.000 2.232 270 G HA2 -0.289 3.671 3.960 -0.001 0.000 0.226 270 G HA3 -0.289 3.671 3.960 -0.001 0.000 0.226 270 G C 1.091 176.009 174.900 0.030 0.000 0.996 270 G CA 0.970 46.084 45.100 0.023 0.000 0.626 270 G HN 1.706 nan 8.290 nan 0.000 0.509 271 T N -1.274 113.299 114.554 0.032 0.000 2.915 271 T HA 0.173 4.523 4.350 -0.001 0.000 0.269 271 T C 2.415 177.143 174.700 0.046 0.000 1.071 271 T CA 2.365 64.491 62.100 0.042 0.000 1.132 271 T CB -0.569 68.330 68.868 0.052 0.000 0.878 271 T HN 1.275 nan 8.240 nan 0.000 0.479 272 R N 1.608 122.136 120.500 0.046 0.000 2.083 272 R HA 0.327 4.666 4.340 -0.001 0.000 0.237 272 R C 2.816 179.146 176.300 0.051 0.000 1.137 272 R CA 1.932 58.060 56.100 0.047 0.000 0.951 272 R CB -1.582 28.747 30.300 0.047 0.000 0.851 272 R HN 0.700 nan 8.270 nan 0.000 0.434 273 A N -0.013 122.842 122.820 0.057 0.000 1.930 273 A HA 0.216 4.536 4.320 -0.001 0.000 0.215 273 A C 2.197 179.817 177.584 0.060 0.000 1.176 273 A CA 1.062 53.138 52.037 0.065 0.000 0.632 273 A CB 0.058 19.104 19.000 0.077 0.000 0.819 273 A HN 0.360 nan 8.150 nan 0.000 0.445 274 L N -0.869 120.386 121.223 0.054 0.000 2.552 274 L HA 0.124 4.464 4.340 -0.001 0.000 0.227 274 L C 1.399 178.300 176.870 0.052 0.000 1.146 274 L CA 1.393 56.266 54.840 0.056 0.000 0.858 274 L CB -1.816 40.274 42.059 0.051 0.000 0.969 274 L HN 0.631 nan 8.230 nan 0.000 0.451 288 L N 0.387 121.612 121.223 0.002 0.000 2.612 288 L HA 0.366 4.706 4.340 -0.001 0.000 0.230 288 L C 2.855 179.731 176.870 0.010 0.000 1.140 288 L CA 1.052 55.894 54.840 0.003 0.000 0.896 288 L CB -0.136 41.924 42.059 0.002 0.000 1.065 288 L HN 0.758 nan 8.230 nan 0.000 0.447 289 E N 0.417 120.624 120.200 0.011 0.000 2.158 289 E HA -0.105 4.245 4.350 -0.001 0.000 0.191 289 E C 2.128 178.739 176.600 0.018 0.000 0.982 289 E CA 1.394 57.803 56.400 0.015 0.000 0.823 289 E CB -0.248 29.460 29.700 0.013 0.000 0.766 289 E HN 0.573 nan 8.360 nan 0.000 0.468 290 S N 1.926 117.635 115.700 0.016 0.000 2.324 290 S HA -0.105 4.365 4.470 -0.001 0.000 0.210 290 S C 1.664 176.277 174.600 0.022 0.000 1.027 290 S CA 0.678 58.889 58.200 0.018 0.000 0.945 290 S CB -0.449 62.760 63.200 0.015 0.000 0.908 290 S HN 0.682 nan 8.310 nan 0.000 0.496 291 N N 2.826 121.536 118.700 0.017 0.000 2.523 291 N HA 0.021 4.761 4.740 -0.001 0.000 0.208 291 N C 0.955 176.479 175.510 0.022 0.000 1.313 291 N CA 0.628 53.690 53.050 0.019 0.000 0.853 291 N CB -0.629 37.862 38.487 0.007 0.000 1.090 291 N HN 0.514 nan 8.380 nan 0.000 0.463 292 S N -1.765 113.952 115.700 0.028 0.000 2.461 292 S HA -0.028 4.442 4.470 -0.001 0.000 0.228 292 S C 2.012 176.644 174.600 0.053 0.000 1.005 292 S CA 0.715 58.936 58.200 0.034 0.000 0.942 292 S CB -0.312 62.907 63.200 0.032 0.000 0.776 292 S HN 0.479 nan 8.310 nan 0.000 0.514 293 K N 1.663 122.100 120.400 0.062 0.000 2.025 293 K HA 0.056 4.376 4.320 -0.001 0.000 0.207 293 K C 1.995 178.652 176.600 0.095 0.000 1.049 293 K CA 1.506 57.846 56.287 0.089 0.000 0.933 293 K CB -1.433 31.119 32.500 0.086 0.000 0.714 293 K HN 0.671 nan 8.250 nan 0.000 0.438 294 E N -0.186 120.060 120.200 0.075 0.000 2.085 294 E HA -0.136 4.214 4.350 -0.001 0.000 0.194 294 E C 2.074 178.733 176.600 0.100 0.000 0.994 294 E CA 1.371 57.821 56.400 0.083 0.000 0.801 294 E CB -0.211 29.524 29.700 0.058 0.000 0.743 294 E HN 0.617 nan 8.360 nan 0.000 0.453 295 I N 0.117 120.725 120.570 0.063 0.000 2.252 295 I HA -0.246 3.924 4.170 -0.001 0.000 0.245 295 I C 2.411 178.594 176.117 0.110 0.000 1.102 295 I CA 0.465 61.799 61.300 0.057 0.000 1.385 295 I CB -0.174 37.833 38.000 0.012 0.000 1.064 295 I HN 0.000 nan 8.210 nan 0.000 0.414 296 V N 0.813 120.783 119.914 0.093 0.000 2.252 296 V HA -0.350 3.770 4.120 -0.001 0.000 0.249 296 V C 2.368 178.528 176.094 0.111 0.000 1.056 296 V CA 2.235 64.588 62.300 0.088 0.000 1.022 296 V CB -0.613 31.250 31.823 0.065 0.000 0.641 296 V HN 0.443 nan 8.190 nan 0.000 0.445 297 E N -1.550 118.730 120.200 0.133 0.000 2.204 297 E HA -0.195 4.154 4.350 -0.001 0.000 0.194 297 E C 2.224 178.901 176.600 0.128 0.000 0.989 297 E CA 0.773 57.252 56.400 0.133 0.000 0.824 297 E CB -0.156 29.628 29.700 0.140 0.000 0.756 297 E HN 0.650 nan 8.360 nan 0.000 0.477 298 H N 0.182 119.291 119.070 0.064 0.000 2.326 298 H HA -0.027 4.529 4.556 -0.001 0.000 0.301 298 H C 1.986 177.379 175.328 0.108 0.000 1.081 298 H CA 1.641 57.726 56.048 0.061 0.000 1.334 298 H CB 0.124 29.895 29.762 0.015 0.000 1.385 298 H HN 0.198 nan 8.280 nan 0.000 0.504 299 A N 1.703 124.698 122.820 0.291 0.000 1.858 299 A HA -0.133 4.187 4.320 -0.001 0.000 0.216 299 A C 2.569 180.240 177.584 0.145 0.000 1.190 299 A CA 1.468 53.667 52.037 0.270 0.000 0.617 299 A CB -0.630 18.502 19.000 0.221 0.000 0.827 299 A HN 0.363 nan 8.150 nan 0.000 0.443 300 I N 1.213 121.842 120.570 0.097 0.000 2.163 300 I HA -0.228 3.942 4.170 -0.001 0.000 0.243 300 I C 2.823 178.969 176.117 0.049 0.000 1.085 300 I CA 2.195 63.530 61.300 0.059 0.000 1.347 300 I CB -1.503 36.522 38.000 0.042 0.000 1.044 300 I HN 0.521 nan 8.210 nan 0.000 0.408 301 S N 0.327 116.048 115.700 0.036 0.000 2.402 301 S HA -0.077 4.393 4.470 -0.001 0.000 0.229 301 S C 2.129 176.728 174.600 -0.002 0.000 1.021 301 S CA 0.816 59.020 58.200 0.006 0.000 0.974 301 S CB -0.995 62.190 63.200 -0.025 0.000 0.800 301 S HN 0.225 nan 8.310 nan 0.000 0.484 302 V N 2.750 122.667 119.914 0.006 0.000 2.261 302 V HA -0.173 3.947 4.120 -0.001 0.000 0.246 302 V C 2.992 179.115 176.094 0.048 0.000 1.047 302 V CA 2.152 64.480 62.300 0.046 0.000 1.015 302 V CB -0.794 31.132 31.823 0.173 0.000 0.642 302 V HN 0.514 nan 8.190 nan 0.000 0.446 303 R N 0.580 121.110 120.500 0.050 0.000 2.091 303 R HA -0.190 4.149 4.340 -0.001 0.000 0.238 303 R C 2.580 178.898 176.300 0.029 0.000 1.136 303 R CA 2.238 58.356 56.100 0.030 0.000 0.959 303 R CB -0.467 29.849 30.300 0.027 0.000 0.856 303 R HN 0.678 nan 8.270 nan 0.000 0.437 304 S N -0.068 115.652 115.700 0.035 0.000 2.387 304 S HA -0.120 4.350 4.470 -0.001 0.000 0.226 304 S C 2.120 176.745 174.600 0.041 0.000 1.026 304 S CA 1.352 59.577 58.200 0.041 0.000 0.972 304 S CB -0.339 62.890 63.200 0.049 0.000 0.814 304 S HN 0.520 nan 8.310 nan 0.000 0.477 305 S N 2.077 117.799 115.700 0.037 0.000 2.423 305 S HA 0.072 4.541 4.470 -0.001 0.000 0.231 305 S C 1.906 176.526 174.600 0.033 0.000 1.014 305 S CA 0.746 58.968 58.200 0.037 0.000 0.965 305 S CB -0.764 62.456 63.200 0.032 0.000 0.785 305 S HN 0.443 nan 8.310 nan 0.000 0.495 306 L N 1.766 123.005 121.223 0.027 0.000 2.156 306 L HA 0.042 4.382 4.340 -0.001 0.000 0.208 306 L C 2.229 179.109 176.870 0.017 0.000 1.095 306 L CA 1.826 56.678 54.840 0.020 0.000 0.770 306 L CB -1.161 40.905 42.059 0.011 0.000 0.914 306 L HN 0.415 nan 8.230 nan 0.000 0.439 307 E N -0.038 120.174 120.200 0.020 0.000 2.051 307 E HA -0.247 4.102 4.350 -0.001 0.000 0.192 307 E C 1.933 178.545 176.600 0.020 0.000 0.991 307 E CA 1.613 58.024 56.400 0.019 0.000 0.799 307 E CB -0.005 29.710 29.700 0.024 0.000 0.748 307 E HN 0.580 nan 8.360 nan 0.000 0.449 308 E N 0.668 120.885 120.200 0.028 0.000 2.031 308 E HA -0.195 4.154 4.350 -0.001 0.000 0.193 308 E C 2.211 178.824 176.600 0.022 0.000 0.994 308 E CA 0.878 57.295 56.400 0.028 0.000 0.800 308 E CB -0.166 29.561 29.700 0.045 0.000 0.752 308 E HN 0.185 nan 8.360 nan 0.000 0.447 309 I N 1.043 121.629 120.570 0.026 0.000 2.335 309 I HA -0.274 3.896 4.170 -0.001 0.000 0.251 309 I C 2.038 178.163 176.117 0.014 0.000 1.129 309 I CA 1.231 62.544 61.300 0.023 0.000 1.402 309 I CB 0.021 38.036 38.000 0.026 0.000 1.069 309 I HN 0.085 nan 8.210 nan 0.000 0.424 310 T N 0.103 114.663 114.554 0.011 0.000 2.821 310 T HA -0.154 4.196 4.350 -0.001 0.000 0.267 310 T C 1.257 175.958 174.700 0.002 0.000 1.046 310 T CA 1.454 63.557 62.100 0.006 0.000 1.139 310 T CB -0.356 68.515 68.868 0.004 0.000 0.871 310 T HN 0.343 nan 8.240 nan 0.000 0.454 311 D N 0.509 120.910 120.400 0.001 0.000 2.420 311 D HA 0.025 4.665 4.640 -0.001 0.000 0.233 311 D C 1.075 177.372 176.300 -0.005 0.000 1.017 311 D CA 0.442 54.439 54.000 -0.004 0.000 0.951 311 D CB 0.028 40.822 40.800 -0.009 0.000 0.877 311 D HN 0.321 nan 8.370 nan 0.000 0.528 312 I N -1.031 119.538 120.570 -0.001 0.000 4.620 312 I HA 0.204 4.374 4.170 -0.001 0.000 0.347 312 I C 0.049 176.166 176.117 0.000 0.000 1.302 312 I CA 0.154 61.453 61.300 -0.001 0.000 1.277 312 I CB 0.540 38.543 38.000 0.005 0.000 1.566 312 I HN -0.189 nan 8.210 nan 0.000 0.547 313 A N 0.736 123.556 122.820 0.001 0.000 2.313 313 A HA 0.554 4.874 4.320 -0.001 0.000 0.323 313 A C -0.029 177.554 177.584 -0.001 0.000 1.133 313 A CA -0.472 51.566 52.037 0.001 0.000 0.847 313 A CB 0.906 19.909 19.000 0.004 0.000 1.308 313 A HN 0.194 nan 8.150 nan 0.000 0.475 314 E N 1.898 122.097 120.200 -0.002 0.000 2.465 314 E HA 0.132 4.481 4.350 -0.001 0.000 0.260 314 E C -2.153 174.446 176.600 -0.002 0.000 0.980 314 E CA -1.287 55.112 56.400 -0.002 0.000 0.927 314 E CB -0.014 29.685 29.700 -0.002 0.000 0.934 314 E HN 0.317 nan 8.360 nan 0.000 0.459 315 P HA -0.116 nan 4.420 nan 0.000 0.258 315 P C 0.572 177.871 177.300 -0.003 0.000 1.172 315 P CA 0.810 63.908 63.100 -0.003 0.000 0.762 315 P CB 0.190 31.888 31.700 -0.003 0.000 0.764 316 G N 3.171 111.969 108.800 -0.002 0.000 2.160 316 G HA2 -0.290 3.669 3.960 -0.001 0.000 0.251 316 G HA3 -0.290 3.669 3.960 -0.001 0.000 0.251 316 G C 0.751 175.650 174.900 -0.002 0.000 1.008 316 G CA 0.466 45.565 45.100 -0.003 0.000 0.724 316 G HN 0.667 nan 8.290 nan 0.000 0.514 317 S N -1.695 114.005 115.700 -0.000 0.000 2.512 317 S HA 0.673 5.142 4.470 -0.001 0.000 0.216 317 S C 1.236 175.838 174.600 0.003 0.000 1.006 317 S CA 1.128 59.328 58.200 0.001 0.000 0.915 317 S CB 0.678 63.879 63.200 0.001 0.000 0.824 317 S HN 1.827 nan 8.310 nan 0.000 0.497 318 A N 1.441 124.263 122.820 0.003 0.000 2.362 318 A HA 0.801 5.121 4.320 -0.001 0.000 0.276 318 A C 0.221 177.806 177.584 0.003 0.000 1.153 318 A CA -0.018 52.022 52.037 0.005 0.000 0.813 318 A CB 0.118 19.121 19.000 0.006 0.000 1.081 318 A HN 1.018 nan 8.150 nan 0.000 0.507 319 A N 2.182 125.007 122.820 0.007 0.000 2.515 319 A HA 0.633 4.953 4.320 -0.001 0.000 0.298 319 A C -0.788 176.806 177.584 0.016 0.000 1.059 319 A CA -0.496 51.544 52.037 0.005 0.000 0.698 319 A CB 1.310 20.314 19.000 0.007 0.000 1.289 319 A HN 1.130 nan 8.150 nan 0.000 0.404 320 V N 3.251 123.172 119.914 0.012 0.000 2.389 320 V HA 0.189 4.309 4.120 -0.001 0.000 0.264 320 V C 1.218 177.347 176.094 0.058 0.000 1.049 320 V CA 0.393 62.719 62.300 0.043 0.000 0.932 320 V CB 0.031 31.873 31.823 0.033 0.000 1.011 320 V HN 0.828 nan 8.190 nan 0.000 0.475 321 I N -0.175 120.437 120.570 0.070 0.000 3.035 321 I HA 0.357 4.526 4.170 -0.001 0.000 0.271 321 I C 0.556 176.728 176.117 0.091 0.000 1.190 321 I CA 0.777 62.116 61.300 0.066 0.000 1.472 321 I CB 0.383 38.411 38.000 0.047 0.000 1.116 321 I HN 0.458 nan 8.210 nan 0.000 0.443 322 D N 0.769 121.243 120.400 0.123 0.000 2.787 322 D HA 0.349 4.989 4.640 -0.001 0.000 0.246 322 D C -1.876 174.560 176.300 0.226 0.000 1.150 322 D CA -0.428 53.654 54.000 0.136 0.000 0.864 322 D CB 2.912 43.766 40.800 0.089 0.000 1.481 322 D HN 0.035 nan 8.370 nan 0.000 0.509 323 F N 4.369 124.350 119.950 0.053 0.000 2.562 323 F HA 0.351 4.878 4.527 -0.000 0.000 0.319 323 F C 0.392 176.220 175.800 0.048 0.000 1.154 323 F CA -0.688 57.357 58.000 0.076 0.000 0.931 323 F CB 1.045 40.082 39.000 0.061 0.000 1.198 323 F HN 0.456 nan 8.300 nan 0.000 0.444 324 M N 4.179 123.292 119.600 -0.813 0.000 2.206 324 M HA -0.190 4.289 4.480 -0.001 0.000 0.197 324 M C -0.488 175.530 176.300 -0.469 0.000 0.375 324 M CA 1.223 55.969 55.300 -0.925 0.000 0.410 324 M CB -1.519 30.251 32.600 -1.383 0.000 1.204 324 M HN 0.730 nan 8.290 nan 0.000 0.932 325 T N -2.413 112.002 114.554 -0.232 0.000 2.902 325 T HA 0.604 4.953 4.350 -0.001 0.000 0.283 325 T C 0.506 175.149 174.700 -0.095 0.000 1.009 325 T CA -0.886 61.138 62.100 -0.127 0.000 1.051 325 T CB 1.950 70.787 68.868 -0.051 0.000 0.999 325 T HN 0.285 nan 8.240 nan 0.000 0.474 326 V N 1.899 121.768 119.914 -0.075 0.000 2.302 326 V HA 0.313 4.433 4.120 -0.001 0.000 0.244 326 V C 0.825 176.905 176.094 -0.024 0.000 1.160 326 V CA -0.908 61.362 62.300 -0.050 0.000 1.127 326 V CB -1.914 29.883 31.823 -0.044 0.000 1.253 326 V HN 1.002 nan 8.190 nan 0.000 0.496 332 V N 2.773 122.691 119.914 0.006 0.000 2.919 332 V HA 0.782 4.902 4.120 -0.001 0.000 0.316 332 V C -0.432 175.668 176.094 0.009 0.000 1.077 332 V CA -1.094 61.211 62.300 0.009 0.000 0.977 332 V CB 1.657 33.489 31.823 0.015 0.000 1.039 332 V HN 0.707 nan 8.190 nan 0.000 0.441 333 Q N 2.867 122.672 119.800 0.008 0.000 2.509 333 Q HA 0.551 4.891 4.340 -0.001 0.000 0.236 333 Q C -0.083 175.924 176.000 0.011 0.000 1.073 333 Q CA -0.118 55.688 55.803 0.006 0.000 0.867 333 Q CB 0.525 29.263 28.738 -0.001 0.000 1.181 333 Q HN 1.090 nan 8.270 nan 0.000 0.526 334 H N 1.343 120.425 119.070 0.019 0.000 2.479 334 H HA 0.453 5.009 4.556 -0.001 0.000 0.335 334 H C -0.678 174.668 175.328 0.030 0.000 1.142 334 H CA -0.869 55.198 56.048 0.030 0.000 1.234 334 H CB 1.109 30.896 29.762 0.041 0.000 1.503 334 H HN 0.385 nan 8.280 nan 0.000 0.510 335 L N 2.413 123.659 121.223 0.038 0.000 2.426 335 L HA 0.524 4.863 4.340 -0.001 0.000 0.271 335 L C 1.010 177.963 176.870 0.139 0.000 1.169 335 L CA 0.535 55.384 54.840 0.016 0.000 0.836 335 L CB 1.187 43.212 42.059 -0.057 0.000 1.112 335 L HN 1.028 nan 8.230 nan 0.000 0.465 336 G N 1.709 110.577 108.800 0.114 0.000 2.620 336 G HA2 0.677 4.637 3.960 -0.001 0.000 0.301 336 G HA3 0.677 4.637 3.960 -0.001 0.000 0.301 336 G C -1.581 173.431 174.900 0.188 0.000 1.347 336 G CA -0.371 44.837 45.100 0.179 0.000 0.971 336 G HN 0.558 nan 8.290 nan 0.000 0.488 337 S N -0.557 115.248 115.700 0.174 0.000 2.540 337 S HA 0.743 5.212 4.470 -0.001 0.000 0.275 337 S C -0.534 174.135 174.600 0.114 0.000 1.123 337 S CA -0.514 57.792 58.200 0.177 0.000 0.907 337 S CB 2.160 65.538 63.200 0.297 0.000 1.081 337 S HN 0.659 nan 8.310 nan 0.000 0.476 338 T N 2.806 117.430 114.554 0.116 0.000 2.823 338 T HA 0.642 4.992 4.350 -0.001 0.000 0.279 338 T C -0.525 174.225 174.700 0.084 0.000 0.998 338 T CA -0.343 61.807 62.100 0.083 0.000 0.994 338 T CB 0.609 69.517 68.868 0.067 0.000 0.960 338 T HN 0.424 nan 8.240 nan 0.000 0.448 339 I N 2.408 123.016 120.570 0.063 0.000 2.433 339 I HA 0.529 4.699 4.170 -0.001 0.000 0.292 339 I C 0.144 176.285 176.117 0.039 0.000 1.001 339 I CA -0.839 60.492 61.300 0.052 0.000 1.119 339 I CB 1.772 39.800 38.000 0.047 0.000 1.289 339 I HN 0.239 nan 8.210 nan 0.000 0.438 340 R N 4.347 124.866 120.500 0.032 0.000 2.670 340 R HA 0.915 5.254 4.340 -0.001 0.000 0.289 340 R C -1.420 174.891 176.300 0.018 0.000 0.965 340 R CA -0.472 55.643 56.100 0.024 0.000 0.899 340 R CB 2.294 32.607 30.300 0.022 0.000 1.173 340 R HN 0.810 nan 8.270 nan 0.000 0.456 341 A N 2.978 125.807 122.820 0.015 0.000 2.567 341 A HA 0.656 4.975 4.320 -0.001 0.000 0.289 341 A C -1.483 176.105 177.584 0.007 0.000 1.177 341 A CA -0.763 51.281 52.037 0.011 0.000 0.694 341 A CB 1.685 20.692 19.000 0.012 0.000 1.292 341 A HN 0.684 nan 8.150 nan 0.000 0.425 342 R N 0.064 120.567 120.500 0.004 0.000 2.599 342 R HA 0.543 4.883 4.340 -0.001 0.000 0.295 342 R C 0.525 176.825 176.300 -0.000 0.000 0.963 342 R CA -0.698 55.403 56.100 0.001 0.000 0.883 342 R CB 1.521 31.821 30.300 -0.000 0.000 1.171 342 R HN 0.752 nan 8.270 nan 0.000 0.450 343 L N 1.414 122.635 121.223 -0.002 0.000 1.973 343 L HA 0.014 4.354 4.340 -0.001 0.000 0.208 343 L C -0.213 176.654 176.870 -0.005 0.000 1.073 343 L CA 1.799 56.637 54.840 -0.004 0.000 0.746 343 L CB 0.108 42.162 42.059 -0.007 0.000 0.891 343 L HN 0.748 nan 8.230 nan 0.000 0.433 344 D N -3.288 117.108 120.400 -0.007 0.000 5.819 344 D HA -0.032 4.608 4.640 -0.001 0.000 0.330 344 D C -2.533 173.761 176.300 -0.010 0.000 1.568 344 D CA -0.456 53.540 54.000 -0.008 0.000 1.430 344 D CB -0.479 40.316 40.800 -0.008 0.000 1.812 344 D HN -0.094 nan 8.370 nan 0.000 0.657 345 P HA -0.170 nan 4.420 nan 0.000 0.041 345 P C 0.362 177.656 177.300 -0.009 0.000 0.582 345 P CA 2.285 65.379 63.100 -0.010 0.000 1.046 345 P CB -0.817 30.878 31.700 -0.008 0.000 1.851 346 S N -1.586 114.108 115.700 -0.011 0.000 1.505 346 S HA -0.097 4.373 4.470 -0.001 0.000 0.248 346 S C 0.272 174.864 174.600 -0.012 0.000 1.017 346 S CA 0.284 58.478 58.200 -0.011 0.000 1.104 346 S CB -1.459 61.735 63.200 -0.009 0.000 1.310 346 S HN 0.551 nan 8.310 nan 0.000 0.531 347 S N 0.930 116.623 115.700 -0.012 0.000 2.607 347 S HA 0.701 5.171 4.470 -0.001 0.000 0.303 347 S C -1.114 173.477 174.600 -0.016 0.000 1.086 347 S CA -0.026 58.166 58.200 -0.013 0.000 0.995 347 S CB 1.833 65.027 63.200 -0.010 0.000 1.084 347 S HN 0.534 nan 8.310 nan 0.000 0.507 348 D N 0.167 120.557 120.400 -0.018 0.000 2.217 348 D HA 0.360 5.000 4.640 -0.001 0.000 0.248 348 D C 1.466 177.754 176.300 -0.019 0.000 1.008 348 D CA -0.698 53.288 54.000 -0.023 0.000 0.914 348 D CB 0.995 41.778 40.800 -0.028 0.000 1.182 348 D HN 0.567 nan 8.370 nan 0.000 0.451 349 R N 1.935 122.418 120.500 -0.028 0.000 2.127 349 R HA -0.154 4.186 4.340 -0.001 0.000 0.238 349 R C 1.430 177.719 176.300 -0.019 0.000 1.134 349 R CA 1.118 57.202 56.100 -0.027 0.000 0.975 349 R CB -0.414 29.858 30.300 -0.046 0.000 0.865 349 R HN 0.371 nan 8.270 nan 0.000 0.447 350 M N 1.156 120.742 119.600 -0.024 0.000 2.288 350 M HA 0.134 4.614 4.480 -0.001 0.000 0.266 350 M C 2.264 178.601 176.300 0.062 0.000 1.072 350 M CA 1.481 56.785 55.300 0.006 0.000 1.132 350 M CB -0.129 32.459 32.600 -0.020 0.000 1.386 350 M HN 0.358 nan 8.290 nan 0.000 0.432 351 A N -0.506 122.325 122.820 0.018 0.000 1.930 351 A HA 0.031 4.350 4.320 -0.001 0.000 0.217 351 A C 2.329 179.925 177.584 0.020 0.000 1.175 351 A CA 1.751 53.791 52.037 0.004 0.000 0.627 351 A CB -1.116 17.876 19.000 -0.013 0.000 0.815 351 A HN 0.480 nan 8.150 nan 0.000 0.443 352 A N -0.238 122.598 122.820 0.025 0.000 1.865 352 A HA -0.080 4.240 4.320 -0.001 0.000 0.217 352 A C 2.110 179.741 177.584 0.079 0.000 1.191 352 A CA 1.816 53.876 52.037 0.039 0.000 0.623 352 A CB -0.764 18.252 19.000 0.027 0.000 0.826 352 A HN 0.590 nan 8.150 nan 0.000 0.444 353 L N 0.033 121.314 121.223 0.097 0.000 1.956 353 L HA -0.231 4.108 4.340 -0.001 0.000 0.216 353 L C 2.346 179.372 176.870 0.260 0.000 1.073 353 L CA 2.773 57.715 54.840 0.170 0.000 0.762 353 L CB -0.989 41.132 42.059 0.103 0.000 0.889 353 L HN 0.633 nan 8.230 nan 0.000 0.433 354 E N -0.959 119.364 120.200 0.206 0.000 2.065 354 E HA -0.319 4.031 4.350 -0.001 0.000 0.201 354 E C 2.049 178.682 176.600 0.055 0.000 1.016 354 E CA 1.564 57.966 56.400 0.004 0.000 0.818 354 E CB -0.298 29.266 29.700 -0.227 0.000 0.749 354 E HN 0.621 nan 8.360 nan 0.000 0.453 355 A N 0.180 123.024 122.820 0.039 0.000 2.032 355 A HA -0.153 4.166 4.320 -0.001 0.000 0.221 355 A C 1.965 179.592 177.584 0.071 0.000 1.165 355 A CA 1.231 53.282 52.037 0.023 0.000 0.645 355 A CB -0.291 18.719 19.000 0.017 0.000 0.807 355 A HN 0.303 nan 8.150 nan 0.000 0.453 356 L N -2.501 118.804 121.223 0.137 0.000 2.693 356 L HA 0.347 4.686 4.340 -0.001 0.000 0.235 356 L C -0.014 176.982 176.870 0.210 0.000 1.127 356 L CA -0.363 54.568 54.840 0.152 0.000 0.914 356 L CB 0.289 42.432 42.059 0.140 0.000 1.193 356 L HN 0.298 nan 8.230 nan 0.000 0.502 357 F N 1.001 121.000 119.950 0.082 0.000 2.425 357 F HA 0.497 5.023 4.527 -0.001 0.000 0.331 357 F C -2.075 173.790 175.800 0.109 0.000 1.085 357 F CA -2.484 55.583 58.000 0.110 0.000 1.028 357 F CB 1.234 40.338 39.000 0.172 0.000 1.177 357 F HN -0.227 nan 8.300 nan 0.000 0.487 358 P HA 0.352 nan 4.420 nan 0.000 0.282 358 P C -1.573 175.540 177.300 -0.312 0.000 1.287 358 P CA -0.643 62.106 63.100 -0.586 0.000 0.792 358 P CB 0.556 32.011 31.700 -0.408 0.000 1.163 359 A N 0.286 122.886 122.820 -0.368 0.000 2.450 359 A HA 0.221 4.541 4.320 -0.001 0.000 0.255 359 A C 1.451 178.994 177.584 -0.069 0.000 1.096 359 A CA -0.327 51.610 52.037 -0.166 0.000 0.778 359 A CB -0.667 18.238 19.000 -0.158 0.000 1.031 359 A HN 0.387 nan 8.150 nan 0.000 0.494 360 V N 2.543 122.439 119.914 -0.030 0.000 2.324 360 V HA -0.280 3.840 4.120 -0.001 0.000 0.250 360 V C 2.582 178.673 176.094 -0.005 0.000 1.060 360 V CA 2.763 65.058 62.300 -0.007 0.000 1.042 360 V CB -1.865 29.959 31.823 0.003 0.000 0.650 360 V HN 1.069 nan 8.190 nan 0.000 0.450 361 T N -1.895 112.651 114.554 -0.014 0.000 3.088 361 T HA 0.252 4.601 4.350 -0.001 0.000 0.259 361 T C 1.433 176.127 174.700 -0.010 0.000 1.122 361 T CA 0.973 63.071 62.100 -0.004 0.000 1.095 361 T CB 0.034 68.900 68.868 -0.004 0.000 0.930 361 T HN 0.566 nan 8.240 nan 0.000 0.508 362 A N 0.675 123.477 122.820 -0.030 0.000 2.430 362 A HA 0.583 4.903 4.320 -0.001 0.000 0.243 362 A C 2.055 179.631 177.584 -0.012 0.000 1.254 362 A CA 0.446 52.452 52.037 -0.052 0.000 0.914 362 A CB 0.075 19.003 19.000 -0.121 0.000 0.998 362 A HN 0.609 nan 8.150 nan 0.000 0.515 363 S N -2.031 113.684 115.700 0.025 0.000 3.526 363 S HA 0.653 5.122 4.470 -0.001 0.000 0.222 363 S C 0.880 175.471 174.600 -0.015 0.000 1.001 363 S CA 0.687 58.922 58.200 0.058 0.000 0.831 363 S CB 0.160 63.448 63.200 0.148 0.000 0.941 363 S HN 1.670 nan 8.310 nan 0.000 0.585 364 G N 1.313 110.095 108.800 -0.030 0.000 2.327 364 G HA2 0.401 4.361 3.960 -0.001 0.000 0.291 364 G HA3 0.401 4.361 3.960 -0.001 0.000 0.291 364 G C -1.994 172.900 174.900 -0.009 0.000 1.290 364 G CA -0.416 44.664 45.100 -0.034 0.000 0.857 364 G HN 1.184 nan 8.290 nan 0.000 0.520 365 I N -2.077 118.522 120.570 0.048 0.000 2.686 365 I HA 0.611 4.781 4.170 -0.001 0.000 0.295 365 I C -2.262 173.957 176.117 0.170 0.000 1.114 365 I CA -2.492 58.865 61.300 0.096 0.000 1.038 365 I CB 2.437 40.514 38.000 0.129 0.000 1.238 365 I HN 0.314 nan 8.210 nan 0.000 0.420 366 P HA -0.271 nan 4.420 nan 0.000 0.222 366 P C 0.694 178.006 177.300 0.020 0.000 1.157 366 P CA 3.151 66.299 63.100 0.079 0.000 0.905 366 P CB 0.112 31.864 31.700 0.087 0.000 0.792 367 K N -5.864 114.505 120.400 -0.052 0.000 4.751 367 K HA -0.126 4.194 4.320 -0.001 0.000 0.434 367 K C 1.675 178.055 176.600 -0.367 0.000 0.604 367 K CA 0.798 56.999 56.287 -0.144 0.000 1.899 367 K CB -1.700 30.761 32.500 -0.065 0.000 0.488 367 K HN -0.071 nan 8.250 nan 0.000 0.492 368 A N 1.443 124.002 122.820 -0.434 0.000 1.903 368 A HA -0.080 4.240 4.320 -0.001 0.000 0.219 368 A C 2.301 179.726 177.584 -0.266 0.000 1.191 368 A CA 3.282 54.993 52.037 -0.543 0.000 0.638 368 A CB -1.049 17.907 19.000 -0.072 0.000 0.823 368 A HN 0.770 nan 8.150 nan 0.000 0.451 369 A N -0.817 121.922 122.820 -0.135 0.000 1.933 369 A HA 0.136 4.456 4.320 -0.001 0.000 0.218 369 A C 2.401 179.811 177.584 -0.291 0.000 1.175 369 A CA 1.950 53.931 52.037 -0.094 0.000 0.628 369 A CB -1.315 17.734 19.000 0.081 0.000 0.814 369 A HN 0.772 nan 8.150 nan 0.000 0.444 370 G N -0.582 108.030 108.800 -0.314 0.000 2.404 370 G HA2 -0.083 3.876 3.960 -0.001 0.000 0.215 370 G HA3 -0.083 3.876 3.960 -0.001 0.000 0.215 370 G C 1.509 176.329 174.900 -0.134 0.000 1.174 370 G CA 1.188 46.096 45.100 -0.321 0.000 0.780 370 G HN 0.302 nan 8.290 nan 0.000 0.537 371 V N 0.819 120.675 119.914 -0.096 0.000 2.295 371 V HA -0.144 3.975 4.120 -0.001 0.000 0.246 371 V C 2.752 179.009 176.094 0.271 0.000 1.049 371 V CA 2.085 64.450 62.300 0.109 0.000 1.024 371 V CB -0.237 31.520 31.823 -0.110 0.000 0.648 371 V HN 0.397 nan 8.190 nan 0.000 0.447 372 E N 0.621 120.881 120.200 0.101 0.000 2.106 372 E HA -0.182 4.168 4.350 -0.001 0.000 0.192 372 E C 2.228 178.923 176.600 0.159 0.000 0.984 372 E CA 1.534 58.015 56.400 0.135 0.000 0.806 372 E CB -0.166 29.540 29.700 0.010 0.000 0.750 372 E HN 0.504 nan 8.360 nan 0.000 0.458 373 A N 1.231 124.062 122.820 0.019 0.000 1.902 373 A HA -0.147 4.173 4.320 -0.001 0.000 0.217 373 A C 2.416 180.038 177.584 0.063 0.000 1.181 373 A CA 1.406 53.438 52.037 -0.008 0.000 0.623 373 A CB -0.734 18.084 19.000 -0.303 0.000 0.818 373 A HN 0.313 nan 8.150 nan 0.000 0.443 374 I N -1.817 118.795 120.570 0.070 0.000 2.335 374 I HA -0.266 3.904 4.170 -0.001 0.000 0.251 374 I C 2.087 178.242 176.117 0.063 0.000 1.129 374 I CA 1.276 62.603 61.300 0.045 0.000 1.402 374 I CB -0.260 37.752 38.000 0.020 0.000 1.069 374 I HN 0.335 nan 8.210 nan 0.000 0.424 375 F N 0.352 120.356 119.950 0.090 0.000 2.365 375 F HA -0.109 4.418 4.527 -0.000 0.000 0.300 375 F C 2.525 178.362 175.800 0.061 0.000 1.090 375 F CA 1.227 59.284 58.000 0.095 0.000 1.408 375 F CB -0.152 38.905 39.000 0.095 0.000 1.060 375 F HN -0.108 nan 8.300 nan 0.000 0.534 376 R N -0.875 119.760 120.500 0.225 0.000 2.175 376 R HA 0.193 4.533 4.340 -0.001 0.000 0.202 376 R C 1.409 177.763 176.300 0.090 0.000 1.018 376 R CA 0.564 56.751 56.100 0.145 0.000 1.029 376 R CB 0.131 30.507 30.300 0.127 0.000 0.959 376 R HN 0.267 nan 8.270 nan 0.000 0.480 377 L N -0.290 120.975 121.223 0.071 0.000 2.766 377 L HA 0.279 4.619 4.340 -0.001 0.000 0.242 377 L C -0.479 176.404 176.870 0.022 0.000 1.136 377 L CA -0.104 54.759 54.840 0.039 0.000 0.933 377 L CB 0.536 42.617 42.059 0.036 0.000 1.241 377 L HN -0.041 nan 8.230 nan 0.000 0.522 378 D N 0.212 120.620 120.400 0.014 0.000 2.601 378 D HA 0.369 5.009 4.640 -0.001 0.000 0.230 378 D C -0.054 176.232 176.300 -0.023 0.000 1.106 378 D CA -0.095 53.902 54.000 -0.004 0.000 0.873 378 D CB 1.646 42.424 40.800 -0.038 0.000 1.515 378 D HN 0.033 nan 8.370 nan 0.000 0.468 379 E N 0.437 120.620 120.200 -0.029 0.000 2.417 379 E HA 0.374 4.724 4.350 -0.001 0.000 0.261 379 E C -0.500 176.057 176.600 -0.072 0.000 1.000 379 E CA 0.040 56.409 56.400 -0.051 0.000 0.919 379 E CB -0.145 29.509 29.700 -0.077 0.000 0.955 379 E HN 0.483 nan 8.360 nan 0.000 0.455 380 C N 4.352 123.617 119.300 -0.059 0.000 2.634 380 C HA 0.800 5.260 4.460 -0.001 0.000 0.313 380 C C -1.767 173.214 174.990 -0.015 0.000 1.198 380 C CA -0.982 57.996 59.018 -0.067 0.000 1.605 380 C CB 1.562 29.232 27.740 -0.117 0.000 2.196 380 C HN 1.005 nan 8.230 nan 0.000 0.486 381 P HA 0.347 nan 4.420 nan 0.000 0.274 381 P C 0.210 177.530 177.300 0.032 0.000 1.237 381 P CA -0.220 62.904 63.100 0.041 0.000 0.793 381 P CB 0.894 32.667 31.700 0.122 0.000 0.977 382 R N 0.151 120.686 120.500 0.058 0.000 2.161 382 R HA 0.071 4.410 4.340 -0.001 0.000 0.213 382 R C 1.080 177.445 176.300 0.108 0.000 1.055 382 R CA 0.499 56.631 56.100 0.053 0.000 0.996 382 R CB -0.650 29.603 30.300 -0.078 0.000 0.901 382 R HN 0.810 nan 8.270 nan 0.000 0.456 383 G N 3.053 111.968 108.800 0.192 0.000 2.816 383 G HA2 -0.155 3.805 3.960 -0.001 0.000 0.341 383 G HA3 -0.155 3.805 3.960 -0.001 0.000 0.341 383 G C 0.463 175.362 174.900 -0.002 0.000 0.171 383 G CA 0.632 45.880 45.100 0.246 0.000 1.218 383 G HN 0.379 nan 8.290 nan 0.000 0.433 384 L N 1.570 122.830 121.223 0.061 0.000 1.913 384 L HA -0.134 4.205 4.340 -0.001 0.000 0.498 384 L C 0.597 177.490 176.870 0.037 0.000 0.722 384 L CA 1.561 56.314 54.840 -0.145 0.000 3.148 384 L CB -1.631 40.048 42.059 -0.633 0.000 0.740 384 L HN 0.931 nan 8.230 nan 0.000 0.749 385 Y N 3.607 123.857 120.300 -0.083 0.000 2.605 385 Y HA 0.391 4.941 4.550 -0.001 0.000 0.336 385 Y C 1.453 177.374 175.900 0.036 0.000 1.111 385 Y CA 0.932 59.064 58.100 0.054 0.000 1.422 385 Y CB 0.213 38.692 38.460 0.033 0.000 1.193 385 Y HN 0.614 nan 8.280 nan 0.000 0.526 386 S N 1.528 116.913 115.700 -0.525 0.000 3.490 386 S HA -0.191 4.279 4.470 -0.001 0.000 0.301 386 S C 0.363 175.013 174.600 0.084 0.000 1.233 386 S CA 0.498 58.518 58.200 -0.301 0.000 0.914 386 S CB -2.254 60.714 63.200 -0.387 0.000 1.047 386 S HN 1.292 nan 8.310 nan 0.000 0.602 387 G N 0.182 109.103 108.800 0.201 0.000 2.857 387 G HA2 1.054 5.014 3.960 -0.001 0.000 0.217 387 G HA3 1.054 5.014 3.960 -0.001 0.000 0.217 387 G C -0.044 175.064 174.900 0.347 0.000 1.357 387 G CA -0.170 45.226 45.100 0.492 0.000 1.033 387 G HN 1.682 nan 8.290 nan 0.000 0.571 388 A N -3.105 119.920 122.820 0.341 0.000 4.887 388 A HA 0.515 4.835 4.320 -0.001 0.000 0.228 388 A C 1.020 178.623 177.584 0.032 0.000 0.933 388 A CA 0.558 52.663 52.037 0.113 0.000 0.598 388 A CB -0.489 18.538 19.000 0.046 0.000 1.909 388 A HN 1.110 nan 8.150 nan 0.000 0.946 389 V N -0.250 119.612 119.914 -0.086 0.000 2.239 389 V HA 0.186 4.305 4.120 -0.001 0.000 0.242 389 V C 0.868 176.872 176.094 -0.149 0.000 1.038 389 V CA 1.555 63.722 62.300 -0.221 0.000 1.002 389 V CB -0.649 30.856 31.823 -0.529 0.000 0.641 389 V HN 1.612 nan 8.190 nan 0.000 0.449 390 V N 0.746 120.594 119.914 -0.110 0.000 3.346 390 V HA -0.194 3.926 4.120 -0.001 0.000 0.477 390 V C -0.696 175.287 176.094 -0.185 0.000 0.682 390 V CA 0.518 62.738 62.300 -0.133 0.000 2.016 390 V CB -0.885 30.830 31.823 -0.179 0.000 2.468 390 V HN 0.569 nan 8.190 nan 0.000 0.500 391 M N 6.308 125.779 119.600 -0.215 0.000 2.530 391 M HA 0.834 5.313 4.480 -0.001 0.000 0.307 391 M C -0.738 175.337 176.300 -0.375 0.000 1.161 391 M CA -0.556 54.475 55.300 -0.448 0.000 0.903 391 M CB 2.341 34.715 32.600 -0.375 0.000 1.711 391 M HN 0.477 nan 8.290 nan 0.000 0.451 392 L N 0.432 121.375 121.223 -0.466 0.000 2.371 392 L HA 0.702 5.042 4.340 -0.001 0.000 0.262 392 L C -0.572 176.122 176.870 -0.293 0.000 1.006 392 L CA -0.494 54.161 54.840 -0.308 0.000 0.818 392 L CB 2.548 44.452 42.059 -0.258 0.000 1.354 392 L HN 0.622 nan 8.230 nan 0.000 0.415 393 S N -0.053 115.527 115.700 -0.199 0.000 2.513 393 S HA 0.498 4.968 4.470 -0.001 0.000 0.299 393 S C 0.762 175.289 174.600 -0.121 0.000 1.087 393 S CA -0.198 57.906 58.200 -0.160 0.000 1.012 393 S CB 1.910 65.032 63.200 -0.130 0.000 1.044 393 S HN 0.742 nan 8.310 nan 0.000 0.485 394 A N 1.704 124.461 122.820 -0.105 0.000 2.131 394 A HA -0.154 4.166 4.320 -0.001 0.000 0.220 394 A C 1.600 179.144 177.584 -0.066 0.000 1.158 394 A CA 1.899 53.889 52.037 -0.079 0.000 0.665 394 A CB -0.621 18.339 19.000 -0.066 0.000 0.795 394 A HN 0.869 nan 8.150 nan 0.000 0.460 395 D N -2.248 118.111 120.400 -0.068 0.000 2.347 395 D HA 0.228 4.868 4.640 -0.001 0.000 0.215 395 D C 1.188 177.456 176.300 -0.053 0.000 0.976 395 D CA 1.128 55.095 54.000 -0.055 0.000 0.884 395 D CB -0.470 40.299 40.800 -0.051 0.000 0.915 395 D HN 0.795 nan 8.370 nan 0.000 0.526 396 G N -1.196 107.565 108.800 -0.065 0.000 2.175 396 G HA2 -0.069 3.891 3.960 -0.001 0.000 0.182 396 G HA3 -0.069 3.891 3.960 -0.001 0.000 0.182 396 G C 0.560 175.421 174.900 -0.066 0.000 1.003 396 G CA -0.106 44.957 45.100 -0.061 0.000 0.666 396 G HN 0.734 nan 8.290 nan 0.000 0.506 397 G N -0.530 108.225 108.800 -0.076 0.000 2.537 397 G HA2 0.661 4.621 3.960 -0.001 0.000 0.273 397 G HA3 0.661 4.621 3.960 -0.001 0.000 0.273 397 G C -0.455 174.388 174.900 -0.095 0.000 1.189 397 G CA -0.144 44.910 45.100 -0.076 0.000 0.881 397 G HN 1.040 nan 8.290 nan 0.000 0.535 398 L N 0.811 121.986 121.223 -0.080 0.000 2.526 398 L HA 0.460 4.800 4.340 -0.001 0.000 0.263 398 L C -2.116 174.718 176.870 -0.060 0.000 0.943 398 L CA -0.688 54.098 54.840 -0.089 0.000 0.859 398 L CB 2.420 44.433 42.059 -0.077 0.000 1.313 398 L HN 0.551 nan 8.230 nan 0.000 0.406 399 D N 4.194 124.555 120.400 -0.064 0.000 2.549 399 D HA 0.678 5.318 4.640 -0.001 0.000 0.251 399 D C -1.280 175.024 176.300 0.007 0.000 1.153 399 D CA -0.003 53.991 54.000 -0.010 0.000 0.861 399 D CB 2.354 43.161 40.800 0.012 0.000 1.207 399 D HN 0.711 nan 8.370 nan 0.000 0.543 400 A N 2.306 125.148 122.820 0.036 0.000 2.371 400 A HA 0.798 5.117 4.320 -0.001 0.000 0.311 400 A C -1.126 176.518 177.584 0.101 0.000 1.068 400 A CA -0.597 51.471 52.037 0.052 0.000 0.744 400 A CB 1.732 20.766 19.000 0.057 0.000 1.239 400 A HN 0.554 nan 8.150 nan 0.000 0.435 401 A N 2.193 125.080 122.820 0.112 0.000 2.375 401 A HA 0.592 4.911 4.320 -0.001 0.000 0.291 401 A C -0.568 177.084 177.584 0.114 0.000 1.160 401 A CA -0.521 51.593 52.037 0.128 0.000 0.747 401 A CB 0.506 19.618 19.000 0.187 0.000 1.170 401 A HN 1.600 nan 8.150 nan 0.000 0.458 402 L N 2.174 123.461 121.223 0.107 0.000 2.543 402 L HA 0.428 4.768 4.340 -0.001 0.000 0.285 402 L C 0.501 177.410 176.870 0.065 0.000 1.236 402 L CA 1.483 56.368 54.840 0.076 0.000 0.871 402 L CB 0.765 42.838 42.059 0.023 0.000 1.121 402 L HN 0.687 nan 8.230 nan 0.000 0.501 403 T N 5.273 119.852 114.554 0.042 0.000 2.921 403 T HA 0.533 4.883 4.350 -0.001 0.000 0.297 403 T C -0.096 174.610 174.700 0.009 0.000 1.013 403 T CA -0.734 61.407 62.100 0.068 0.000 0.990 403 T CB 0.452 69.361 68.868 0.067 0.000 1.023 403 T HN 0.442 nan 8.240 nan 0.000 0.447 404 L N 2.654 123.908 121.223 0.051 0.000 2.666 404 L HA 0.601 4.941 4.340 -0.001 0.000 0.213 404 L C 1.093 178.164 176.870 0.336 0.000 1.734 404 L CA -0.486 54.365 54.840 0.019 0.000 2.979 404 L CB -0.844 41.235 42.059 0.034 0.000 2.784 404 L HN 0.706 nan 8.230 nan 0.000 0.797 405 R N 0.574 121.273 120.500 0.331 0.000 3.491 405 R HA 0.086 4.426 4.340 -0.001 0.000 0.269 405 R C -0.494 175.855 176.300 0.081 0.000 0.661 405 R CA 0.495 56.711 56.100 0.194 0.000 1.041 405 R CB -0.439 29.934 30.300 0.121 0.000 0.934 405 R HN 0.579 nan 8.270 nan 0.000 0.360 406 A N 2.316 125.081 122.820 -0.092 0.000 2.567 406 A HA 0.821 5.141 4.320 -0.001 0.000 0.289 406 A C -1.467 175.618 177.584 -0.831 0.000 1.177 406 A CA -0.374 51.397 52.037 -0.442 0.000 0.694 406 A CB 1.686 20.452 19.000 -0.389 0.000 1.292 406 A HN 0.661 nan 8.150 nan 0.000 0.425 407 A N -0.440 121.867 122.820 -0.856 0.000 2.325 407 A HA 0.818 5.137 4.320 -0.001 0.000 0.333 407 A C -1.327 175.699 177.584 -0.930 0.000 1.155 407 A CA -0.318 51.237 52.037 -0.804 0.000 0.814 407 A CB 0.442 19.114 19.000 -0.545 0.000 1.206 407 A HN 0.906 nan 8.150 nan 0.000 0.482 408 Y N -0.201 119.778 120.300 -0.534 0.000 2.512 408 Y HA 0.656 5.206 4.550 -0.000 0.000 0.348 408 Y C 0.061 175.725 175.900 -0.393 0.000 0.990 408 Y CA -0.622 57.089 58.100 -0.648 0.000 1.033 408 Y CB 2.176 39.756 38.460 -1.467 0.000 1.259 408 Y HN 0.707 nan 8.280 nan 0.000 0.461 409 Q N 1.768 121.561 119.800 -0.012 0.000 2.305 409 Q HA 0.726 5.066 4.340 -0.001 0.000 0.271 409 Q C -2.185 173.860 176.000 0.074 0.000 1.046 409 Q CA -0.783 55.082 55.803 0.103 0.000 0.798 409 Q CB 2.633 31.465 28.738 0.156 0.000 1.286 409 Q HN 0.658 nan 8.270 nan 0.000 0.435 410 V N 3.613 123.678 119.914 0.252 0.000 2.488 410 V HA 0.585 4.705 4.120 -0.001 0.000 0.293 410 V C 0.684 176.870 176.094 0.154 0.000 1.027 410 V CA 0.266 62.679 62.300 0.189 0.000 0.862 410 V CB 0.720 32.707 31.823 0.273 0.000 1.008 410 V HN 1.113 nan 8.190 nan 0.000 0.428 411 G N 4.970 113.821 108.800 0.084 0.000 2.574 411 G HA2 -0.209 3.750 3.960 -0.001 0.000 0.301 411 G HA3 -0.209 3.750 3.960 -0.001 0.000 0.301 411 G C 1.006 175.956 174.900 0.084 0.000 1.166 411 G CA 0.703 45.844 45.100 0.068 0.000 0.971 411 G HN 1.484 nan 8.290 nan 0.000 0.542 412 G N 0.412 109.262 108.800 0.083 0.000 2.762 412 G HA2 0.412 4.372 3.960 -0.001 0.000 0.209 412 G HA3 0.412 4.372 3.960 -0.001 0.000 0.209 412 G C 0.850 175.810 174.900 0.101 0.000 1.134 412 G CA 1.035 46.183 45.100 0.079 0.000 0.781 412 G HN 1.097 nan 8.290 nan 0.000 0.528 413 R N 0.905 121.485 120.500 0.133 0.000 2.265 413 R HA 0.549 4.889 4.340 -0.001 0.000 0.314 413 R C -1.233 175.291 176.300 0.372 0.000 1.053 413 R CA -0.125 56.087 56.100 0.188 0.000 0.931 413 R CB 0.742 31.097 30.300 0.092 0.000 1.024 413 R HN -0.104 nan 8.270 nan 0.000 0.457 414 T N 4.734 119.463 114.554 0.292 0.000 2.823 414 T HA 0.574 4.924 4.350 -0.001 0.000 0.279 414 T C -1.065 173.833 174.700 0.330 0.000 0.998 414 T CA -0.573 61.688 62.100 0.269 0.000 0.994 414 T CB 0.585 69.492 68.868 0.065 0.000 0.960 414 T HN 0.809 nan 8.240 nan 0.000 0.448 415 W N 2.170 123.483 121.300 0.021 0.000 3.074 415 W HA 0.732 5.392 4.660 -0.001 0.000 0.332 415 W C -2.711 173.801 176.519 -0.012 0.000 1.253 415 W CA -1.335 56.007 57.345 -0.005 0.000 1.180 415 W CB 0.694 30.171 29.460 0.028 0.000 1.445 415 W HN 0.544 nan 8.180 nan 0.000 0.573 416 L N 2.934 124.203 121.223 0.076 0.000 2.322 416 L HA 0.738 5.077 4.340 -0.001 0.000 0.269 416 L C 0.154 177.088 176.870 0.108 0.000 1.012 416 L CA -1.296 53.501 54.840 -0.072 0.000 0.815 416 L CB 1.595 43.589 42.059 -0.108 0.000 1.295 416 L HN 0.517 nan 8.230 nan 0.000 0.438 417 R N 1.377 121.885 120.500 0.012 0.000 2.548 417 R HA 0.837 5.177 4.340 -0.001 0.000 0.280 417 R C -1.850 174.335 176.300 -0.192 0.000 1.061 417 R CA -0.545 55.507 56.100 -0.080 0.000 0.915 417 R CB 2.231 32.537 30.300 0.009 0.000 1.210 417 R HN 0.833 nan 8.270 nan 0.000 0.442 418 A N 1.522 124.182 122.820 -0.267 0.000 2.589 418 A HA 0.797 5.117 4.320 -0.001 0.000 0.296 418 A C -0.923 176.592 177.584 -0.115 0.000 1.062 418 A CA -0.220 51.761 52.037 -0.093 0.000 0.686 418 A CB 2.031 20.980 19.000 -0.084 0.000 1.282 418 A HN 0.732 nan 8.150 nan 0.000 0.404 419 G N -0.788 108.070 108.800 0.096 0.000 3.176 419 G HA2 0.996 4.956 3.960 -0.001 0.000 0.272 419 G HA3 0.996 4.956 3.960 -0.001 0.000 0.272 419 G C -0.519 174.459 174.900 0.129 0.000 1.349 419 G CA -0.058 45.124 45.100 0.137 0.000 0.953 419 G HN 2.133 nan 8.290 nan 0.000 0.559 420 A N -1.929 121.006 122.820 0.192 0.000 2.609 420 A HA 0.823 5.143 4.320 -0.001 0.000 0.291 420 A C -0.265 177.406 177.584 0.144 0.000 1.096 420 A CA -0.008 52.124 52.037 0.158 0.000 0.684 420 A CB 1.314 20.427 19.000 0.188 0.000 1.282 420 A HN 1.827 nan 8.150 nan 0.000 0.412 421 G N 0.492 109.353 108.800 0.102 0.000 2.329 421 G HA2 0.549 4.509 3.960 -0.001 0.000 0.309 421 G HA3 0.549 4.509 3.960 -0.001 0.000 0.309 421 G C -0.479 174.458 174.900 0.062 0.000 1.110 421 G CA -0.301 44.843 45.100 0.073 0.000 0.923 421 G HN 0.598 nan 8.290 nan 0.000 0.430 422 I N 3.512 124.112 120.570 0.050 0.000 2.331 422 I HA 0.407 4.576 4.170 -0.001 0.000 0.292 422 I C 0.295 176.411 176.117 -0.002 0.000 0.998 422 I CA -0.535 60.783 61.300 0.030 0.000 1.267 422 I CB 1.280 39.293 38.000 0.022 0.000 1.386 422 I HN 0.453 nan 8.210 nan 0.000 0.476 423 I N 1.417 121.967 120.570 -0.033 0.000 3.206 423 I HA 0.507 4.677 4.170 -0.001 0.000 0.313 423 I C 1.158 177.222 176.117 -0.089 0.000 1.103 423 I CA -0.795 60.436 61.300 -0.115 0.000 0.985 423 I CB 1.214 39.134 38.000 -0.133 0.000 1.240 423 I HN 0.326 nan 8.210 nan 0.000 0.464 424 E N 1.247 121.372 120.200 -0.125 0.000 2.149 424 E HA -0.291 4.058 4.350 -0.001 0.000 0.215 424 E C 1.266 177.849 176.600 -0.029 0.000 1.055 424 E CA 2.227 58.591 56.400 -0.061 0.000 0.870 424 E CB -0.013 29.673 29.700 -0.023 0.000 0.764 424 E HN 0.716 nan 8.360 nan 0.000 0.463 425 E N -0.025 120.165 120.200 -0.017 0.000 2.419 425 E HA 0.119 4.469 4.350 -0.001 0.000 0.190 425 E C -0.566 176.037 176.600 0.006 0.000 1.040 425 E CA -0.122 56.278 56.400 0.000 0.000 0.900 425 E CB 0.246 29.954 29.700 0.012 0.000 1.054 425 E HN -0.030 nan 8.360 nan 0.000 0.462 426 S N 0.562 116.263 115.700 0.001 0.000 2.603 426 S HA 0.288 4.758 4.470 -0.001 0.000 0.268 426 S C -0.130 174.479 174.600 0.014 0.000 1.317 426 S CA -0.421 57.787 58.200 0.014 0.000 1.012 426 S CB 0.907 64.115 63.200 0.013 0.000 0.926 426 S HN 0.127 nan 8.310 nan 0.000 0.539 427 E N 1.258 121.478 120.200 0.032 0.000 2.246 427 E HA 0.229 4.578 4.350 -0.001 0.000 0.266 427 E C -2.099 174.534 176.600 0.055 0.000 0.880 427 E CA -2.094 54.326 56.400 0.033 0.000 0.762 427 E CB 1.737 31.460 29.700 0.038 0.000 1.180 427 E HN 0.190 nan 8.360 nan 0.000 0.416 428 P HA -0.286 nan 4.420 nan 0.000 0.216 428 P C 1.128 178.519 177.300 0.152 0.000 1.167 428 P CA 1.396 64.526 63.100 0.049 0.000 0.914 428 P CB 0.360 32.056 31.700 -0.006 0.000 0.793 429 E N -0.906 119.356 120.200 0.103 0.000 2.033 429 E HA -0.247 4.103 4.350 -0.001 0.000 0.199 429 E C 2.416 179.132 176.600 0.193 0.000 1.011 429 E CA 2.099 58.579 56.400 0.132 0.000 0.815 429 E CB -0.960 28.781 29.700 0.068 0.000 0.755 429 E HN 0.142 nan 8.360 nan 0.000 0.451 430 R N 1.347 121.929 120.500 0.137 0.000 2.083 430 R HA -0.177 4.162 4.340 -0.001 0.000 0.237 430 R C 2.167 178.565 176.300 0.164 0.000 1.137 430 R CA 2.106 58.281 56.100 0.125 0.000 0.951 430 R CB -1.302 29.049 30.300 0.085 0.000 0.851 430 R HN 0.157 nan 8.270 nan 0.000 0.434 431 E N -0.690 119.634 120.200 0.206 0.000 2.110 431 E HA -0.087 4.262 4.350 -0.001 0.000 0.193 431 E C 1.653 178.480 176.600 0.378 0.000 0.988 431 E CA 1.374 57.941 56.400 0.278 0.000 0.804 431 E CB -0.406 29.471 29.700 0.294 0.000 0.745 431 E HN 0.633 nan 8.360 nan 0.000 0.458 432 F N 1.709 121.827 119.950 0.279 0.000 2.113 432 F HA -0.118 4.409 4.527 -0.001 0.000 0.297 432 F C 2.144 177.951 175.800 0.011 0.000 1.103 432 F CA 1.869 59.964 58.000 0.158 0.000 1.248 432 F CB -0.202 38.912 39.000 0.190 0.000 0.999 432 F HN 0.120 nan 8.300 nan 0.000 0.475 433 E N -0.533 119.768 120.200 0.168 0.000 2.204 433 E HA -0.221 4.129 4.350 -0.001 0.000 0.194 433 E C 1.899 178.471 176.600 -0.047 0.000 0.989 433 E CA 1.097 57.515 56.400 0.030 0.000 0.824 433 E CB -0.714 29.047 29.700 0.102 0.000 0.756 433 E HN 0.417 nan 8.360 nan 0.000 0.477 434 E N 1.194 121.390 120.200 -0.006 0.000 2.049 434 E HA -0.201 4.149 4.350 -0.001 0.000 0.198 434 E C 2.354 178.894 176.600 -0.100 0.000 1.007 434 E CA 2.457 58.845 56.400 -0.019 0.000 0.809 434 E CB -0.378 29.346 29.700 0.040 0.000 0.749 434 E HN 0.560 nan 8.360 nan 0.000 0.450 435 T N -1.661 112.768 114.554 -0.207 0.000 2.915 435 T HA -0.100 4.250 4.350 -0.001 0.000 0.269 435 T C 2.397 176.896 174.700 -0.335 0.000 1.071 435 T CA 1.257 63.169 62.100 -0.314 0.000 1.132 435 T CB -0.740 67.796 68.868 -0.553 0.000 0.878 435 T HN 0.128 nan 8.240 nan 0.000 0.479 436 C N 1.559 120.631 119.300 -0.381 0.000 2.413 436 C HA -0.030 4.429 4.460 -0.001 0.000 0.276 436 C C 2.867 177.753 174.990 -0.173 0.000 1.236 436 C CA 1.093 59.934 59.018 -0.296 0.000 1.735 436 C CB -1.161 26.429 27.740 -0.250 0.000 2.031 436 C HN 0.668 nan 8.230 nan 0.000 0.474 437 E N 0.453 120.579 120.200 -0.124 0.000 2.077 437 E HA -0.205 4.145 4.350 -0.001 0.000 0.193 437 E C 2.132 178.690 176.600 -0.069 0.000 0.989 437 E CA 1.169 57.524 56.400 -0.076 0.000 0.800 437 E CB -0.094 29.579 29.700 -0.043 0.000 0.746 437 E HN 0.585 nan 8.360 nan 0.000 0.452 438 K N 0.261 120.615 120.400 -0.076 0.000 2.211 438 K HA -0.067 4.253 4.320 -0.001 0.000 0.203 438 K C 1.871 178.435 176.600 -0.061 0.000 1.050 438 K CA 0.628 56.886 56.287 -0.048 0.000 0.945 438 K CB 0.074 32.553 32.500 -0.035 0.000 0.732 438 K HN 0.101 nan 8.250 nan 0.000 0.451 439 L N 0.529 121.685 121.223 -0.111 0.000 2.395 439 L HA -0.063 4.277 4.340 -0.001 0.000 0.218 439 L C 1.522 178.317 176.870 -0.125 0.000 1.130 439 L CA 0.722 55.489 54.840 -0.122 0.000 0.826 439 L CB 0.004 41.963 42.059 -0.167 0.000 0.941 439 L HN 0.134 nan 8.230 nan 0.000 0.451 440 S N -2.905 112.719 115.700 -0.126 0.000 2.582 440 S HA 0.012 4.481 4.470 -0.001 0.000 0.234 440 S C 1.440 175.934 174.600 -0.178 0.000 0.961 440 S CA 0.193 58.283 58.200 -0.183 0.000 0.953 440 S CB -0.363 62.743 63.200 -0.157 0.000 0.800 440 S HN 0.417 nan 8.310 nan 0.000 0.471 441 T N -0.796 113.722 114.554 -0.061 0.000 3.081 441 T HA 0.355 4.705 4.350 -0.001 0.000 0.250 441 T C 1.209 176.005 174.700 0.159 0.000 1.100 441 T CA 0.048 62.197 62.100 0.082 0.000 1.038 441 T CB -0.326 68.590 68.868 0.080 0.000 0.962 441 T HN 0.418 nan 8.240 nan 0.000 0.516 442 L N -0.194 121.018 121.223 -0.018 0.000 2.663 442 L HA 0.218 4.557 4.340 -0.001 0.000 0.218 442 L C 2.770 179.508 176.870 -0.219 0.000 1.043 442 L CA 0.311 55.154 54.840 0.007 0.000 0.876 442 L CB -0.596 41.456 42.059 -0.012 0.000 1.263 442 L HN 0.068 nan 8.230 nan 0.000 0.486 443 T N 1.522 115.912 114.554 -0.273 0.000 2.699 443 T HA -0.091 4.259 4.350 -0.001 0.000 0.268 443 T C -0.944 173.573 174.700 -0.304 0.000 1.036 443 T CA 1.698 63.652 62.100 -0.244 0.000 1.147 443 T CB -1.075 67.680 68.868 -0.188 0.000 0.862 443 T HN 0.224 nan 8.240 nan 0.000 0.446 444 P HA 0.062 nan 4.420 nan 0.000 0.241 444 P C 0.153 177.250 177.300 -0.339 0.000 1.191 444 P CA 0.738 63.558 63.100 -0.466 0.000 0.771 444 P CB -0.342 31.044 31.700 -0.524 0.000 0.929 445 Y N -1.019 119.208 120.300 -0.123 0.000 2.571 445 Y HA 0.279 4.829 4.550 -0.001 0.000 0.275 445 Y C 1.880 177.721 175.900 -0.098 0.000 1.179 445 Y CA -0.583 57.415 58.100 -0.170 0.000 1.242 445 Y CB -0.222 38.108 38.460 -0.217 0.000 1.126 445 Y HN -0.231 nan 8.280 nan 0.000 0.524 446 L N 0.226 121.485 121.223 0.060 0.000 2.633 446 L HA -0.078 4.262 4.340 -0.001 0.000 0.235 446 L C 0.453 177.415 176.870 0.154 0.000 1.163 446 L CA 0.038 54.940 54.840 0.103 0.000 0.859 446 L CB -0.490 41.707 42.059 0.230 0.000 0.973 446 L HN 0.080 nan 8.230 nan 0.000 0.451 447 V N 1.468 121.428 119.914 0.076 0.000 5.530 447 V HA -0.307 3.813 4.120 -0.001 0.000 0.249 447 V C 1.133 177.287 176.094 0.100 0.000 0.971 447 V CA 0.617 62.944 62.300 0.046 0.000 0.952 447 V CB -1.714 30.121 31.823 0.020 0.000 0.932 447 V HN 0.452 nan 8.190 nan 0.000 0.413 448 A N 5.847 128.711 122.820 0.073 0.000 2.425 448 A HA 0.459 4.779 4.320 -0.001 0.000 0.242 448 A C 0.830 178.478 177.584 0.105 0.000 1.077 448 A CA 0.210 52.335 52.037 0.147 0.000 0.781 448 A CB 0.278 19.238 19.000 -0.066 0.000 1.020 448 A HN 1.003 nan 8.150 nan 0.000 0.494 449 R N 0.000 120.585 120.500 0.142 0.000 2.786 449 R HA 0.000 4.340 4.340 -0.001 0.000 0.208 449 R CA 0.000 56.162 56.100 0.104 0.000 0.921 449 R CB 0.000 30.371 30.300 0.118 0.000 0.687 449 R HN 0.000 nan 8.270 nan 0.000 0.535