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 1kpk_1_A DATA FIRST_RESID 12 DATA SEQUENCE QAARLRRRQL IRQLLERDKT PLAILFMAAV VGTLVGLAAV AFDKGVAWLQ DATA SEQUENCE NQRMGALVHT ADNYPLLLTV AFLCSAVLAM FGYFLVRKYA PEAGGSGIPE DATA SEQUENCE IEGALEDQRP VRWWRVLPVK FFGGLGTLGG GMVLGREGPT VQIGGNIGRM DATA SEQUENCE VLDIFRLKGD EARHTLLATG AAAGLAAAFN APLAGILFII EEMRPQFRYT DATA SEQUENCE LISIKAVFIG VIMSTIMYRI FNHEVALIDV GKLSDAPLNT LWLYLILGII DATA SEQUENCE FGIFGPIFNK WVLGMQDLLH RVHGGNITKW VLMGGAIGGL CGLLGFVAPA DATA SEQUENCE TSGGGFNLIP IATAGNFSMG MLVFIFVARV ITTLLCFSSG APGGIFAPML DATA SEQUENCE ALGTVLGTAF GMVAVELFPQ YHLEAGTFAI AGMGALLAAS IRAPLTGIIL DATA SEQUENCE VLEMTDNYQL ILPMIITGLG ATLLAQFTGG KPLYSAILAR TLAKQEAEQL 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 12 Q HA 0.000 nan 4.340 nan 0.000 0.214 12 Q C 0.000 175.998 176.000 -0.003 0.000 1.003 12 Q CA 0.000 55.801 55.803 -0.003 0.000 1.022 12 Q CB 0.000 28.736 28.738 -0.003 0.000 1.108 13 A N 1.115 123.933 122.820 -0.003 0.000 1.845 13 A HA -0.011 4.312 4.320 0.004 0.000 0.215 13 A C 2.064 179.645 177.584 -0.004 0.000 1.195 13 A CA 2.104 54.139 52.037 -0.003 0.000 0.616 13 A CB -0.580 18.419 19.000 -0.002 0.000 0.832 13 A HN 0.383 nan 8.150 nan 0.000 0.443 14 A N -0.379 122.438 122.820 -0.004 0.000 1.840 14 A HA -0.050 4.272 4.320 0.004 0.000 0.214 14 A C 2.093 179.675 177.584 -0.005 0.000 1.198 14 A CA 1.179 53.213 52.037 -0.004 0.000 0.608 14 A CB -0.468 18.530 19.000 -0.003 0.000 0.839 14 A HN 0.489 nan 8.150 nan 0.000 0.443 15 R N -0.866 119.631 120.500 -0.004 0.000 2.377 15 R HA -0.005 4.338 4.340 0.004 0.000 0.207 15 R C 1.445 177.742 176.300 -0.005 0.000 1.075 15 R CA 0.708 56.806 56.100 -0.004 0.000 1.035 15 R CB -0.289 30.009 30.300 -0.003 0.000 0.857 15 R HN 0.477 nan 8.270 nan 0.000 0.475 16 L N -0.077 121.142 121.223 -0.006 0.000 2.388 16 L HA 0.098 4.440 4.340 0.004 0.000 0.209 16 L C 1.946 178.810 176.870 -0.009 0.000 1.061 16 L CA 0.993 55.829 54.840 -0.007 0.000 0.834 16 L CB -0.006 42.048 42.059 -0.007 0.000 1.029 16 L HN -0.141 nan 8.230 nan 0.000 0.473 17 R N -0.248 120.245 120.500 -0.010 0.000 2.113 17 R HA -0.210 4.133 4.340 0.004 0.000 0.244 17 R C 2.270 178.562 176.300 -0.013 0.000 1.142 17 R CA 2.077 58.169 56.100 -0.014 0.000 0.953 17 R CB -0.534 29.758 30.300 -0.013 0.000 0.860 17 R HN 0.366 nan 8.270 nan 0.000 0.438 18 R N 0.471 120.965 120.500 -0.010 0.000 2.112 18 R HA -0.161 4.181 4.340 0.004 0.000 0.242 18 R C 2.314 178.608 176.300 -0.009 0.000 1.137 18 R CA 1.766 57.861 56.100 -0.009 0.000 0.944 18 R CB -0.403 29.893 30.300 -0.007 0.000 0.857 18 R HN 0.273 nan 8.270 nan 0.000 0.435 19 R N 0.639 121.134 120.500 -0.008 0.000 2.200 19 R HA -0.171 4.171 4.340 0.004 0.000 0.234 19 R C 2.217 178.511 176.300 -0.009 0.000 1.127 19 R CA 1.333 57.429 56.100 -0.008 0.000 0.989 19 R CB -0.125 30.170 30.300 -0.007 0.000 0.869 19 R HN 0.479 nan 8.270 nan 0.000 0.459 20 Q N 0.325 120.117 119.800 -0.012 0.000 1.990 20 Q HA 0.007 4.350 4.340 0.004 0.000 0.195 20 Q C 2.272 178.263 176.000 -0.016 0.000 0.977 20 Q CA 0.694 56.487 55.803 -0.016 0.000 0.828 20 Q CB -0.086 28.640 28.738 -0.021 0.000 0.896 20 Q HN 0.214 nan 8.270 nan 0.000 0.447 21 L N 0.956 122.169 121.223 -0.017 0.000 1.976 21 L HA -0.308 4.034 4.340 0.004 0.000 0.223 21 L C 2.483 179.347 176.870 -0.011 0.000 1.081 21 L CA 1.507 56.338 54.840 -0.015 0.000 0.784 21 L CB -0.836 41.215 42.059 -0.014 0.000 0.896 21 L HN 0.331 nan 8.230 nan 0.000 0.438 22 I N -0.820 119.745 120.570 -0.009 0.000 2.236 22 I HA -0.339 3.833 4.170 0.004 0.000 0.249 22 I C 2.759 178.872 176.117 -0.006 0.000 1.102 22 I CA 1.412 62.708 61.300 -0.007 0.000 1.365 22 I CB -0.466 37.530 38.000 -0.006 0.000 1.051 22 I HN 0.293 nan 8.210 nan 0.000 0.420 23 R N 0.189 120.685 120.500 -0.007 0.000 2.119 23 R HA -0.094 4.249 4.340 0.004 0.000 0.222 23 R C 2.286 178.583 176.300 -0.005 0.000 1.088 23 R CA 0.960 57.056 56.100 -0.006 0.000 0.984 23 R CB -0.074 30.222 30.300 -0.007 0.000 0.884 23 R HN 0.535 nan 8.270 nan 0.000 0.447 24 Q N 0.356 120.151 119.800 -0.008 0.000 2.036 24 Q HA -0.018 4.325 4.340 0.004 0.000 0.195 24 Q C 2.282 178.281 176.000 -0.002 0.000 0.971 24 Q CA 0.854 56.654 55.803 -0.006 0.000 0.826 24 Q CB -0.047 28.683 28.738 -0.014 0.000 0.896 24 Q HN 0.227 nan 8.270 nan 0.000 0.449 25 L N 0.892 122.113 121.223 -0.004 0.000 1.965 25 L HA -0.267 4.075 4.340 0.004 0.000 0.226 25 L C 2.291 179.161 176.870 -0.001 0.000 1.083 25 L CA 1.401 56.240 54.840 -0.001 0.000 0.790 25 L CB -0.846 41.211 42.059 -0.003 0.000 0.898 25 L HN 0.303 nan 8.230 nan 0.000 0.439 26 L N -0.416 120.805 121.223 -0.002 0.000 2.651 26 L HA -0.177 4.165 4.340 0.004 0.000 0.236 26 L C 1.841 178.710 176.870 -0.002 0.000 1.173 26 L CA 0.536 55.375 54.840 -0.003 0.000 0.843 26 L CB -0.437 41.620 42.059 -0.003 0.000 0.964 26 L HN 0.349 nan 8.230 nan 0.000 0.454 27 E N -0.146 120.054 120.200 0.000 0.000 2.539 27 E HA 0.044 4.397 4.350 0.004 0.000 0.215 27 E C 0.935 177.539 176.600 0.006 0.000 0.965 27 E CA -0.313 56.088 56.400 0.002 0.000 1.019 27 E CB 0.437 30.139 29.700 0.002 0.000 1.059 27 E HN 0.184 nan 8.360 nan 0.000 0.496 28 R N 1.150 121.654 120.500 0.006 0.000 2.678 28 R HA -0.073 4.269 4.340 0.004 0.000 0.264 28 R C -0.639 175.666 176.300 0.008 0.000 0.995 28 R CA 1.239 57.346 56.100 0.011 0.000 1.098 28 R CB 0.076 30.382 30.300 0.010 0.000 0.949 28 R HN 0.051 nan 8.270 nan 0.000 0.422 29 D N 1.092 121.500 120.400 0.013 0.000 3.092 29 D HA -0.111 4.531 4.640 0.004 0.000 0.253 29 D C -1.320 174.984 176.300 0.006 0.000 1.063 29 D CA 0.868 54.871 54.000 0.005 0.000 0.886 29 D CB -0.175 40.619 40.800 -0.010 0.000 1.021 29 D HN 0.556 nan 8.370 nan 0.000 0.425 30 K N 0.871 121.280 120.400 0.016 0.000 2.263 30 K HA 0.611 4.934 4.320 0.004 0.000 0.272 30 K C -1.015 175.593 176.600 0.014 0.000 1.033 30 K CA -0.256 56.040 56.287 0.015 0.000 0.884 30 K CB 1.203 33.716 32.500 0.021 0.000 1.107 30 K HN 0.086 nan 8.250 nan 0.000 0.460 31 T N 5.608 120.167 114.554 0.009 0.000 3.187 31 T HA 0.268 4.621 4.350 0.004 0.000 0.328 31 T C -2.737 171.969 174.700 0.009 0.000 0.951 31 T CA -1.024 61.081 62.100 0.009 0.000 1.049 31 T CB 1.447 70.319 68.868 0.006 0.000 1.015 31 T HN 0.424 nan 8.240 nan 0.000 0.461 32 P HA 0.092 nan 4.420 nan 0.000 0.262 32 P C 1.114 178.422 177.300 0.014 0.000 1.199 32 P CA -0.518 62.587 63.100 0.009 0.000 0.763 32 P CB 0.477 32.182 31.700 0.008 0.000 0.790 33 L N 4.428 125.659 121.223 0.013 0.000 2.283 33 L HA -0.291 4.051 4.340 0.004 0.000 0.217 33 L C 1.837 178.732 176.870 0.043 0.000 1.104 33 L CA 2.400 57.255 54.840 0.025 0.000 0.772 33 L CB -0.936 41.129 42.059 0.010 0.000 0.899 33 L HN 0.443 nan 8.230 nan 0.000 0.439 34 A N -0.801 122.032 122.820 0.022 0.000 1.975 34 A HA -0.007 4.315 4.320 0.004 0.000 0.215 34 A C 2.203 179.814 177.584 0.045 0.000 1.170 34 A CA 1.333 53.385 52.037 0.025 0.000 0.656 34 A CB -0.567 18.430 19.000 -0.005 0.000 0.821 34 A HN 0.481 nan 8.150 nan 0.000 0.449 35 I N -0.067 120.519 120.570 0.027 0.000 2.286 35 I HA -0.253 3.920 4.170 0.004 0.000 0.248 35 I C 2.318 178.446 176.117 0.019 0.000 1.115 35 I CA 0.953 62.263 61.300 0.016 0.000 1.392 35 I CB -0.343 37.664 38.000 0.011 0.000 1.065 35 I HN 0.311 nan 8.210 nan 0.000 0.418 36 L N -0.156 121.089 121.223 0.036 0.000 1.961 36 L HA -0.230 4.112 4.340 0.004 0.000 0.209 36 L C 2.605 179.492 176.870 0.029 0.000 1.075 36 L CA 1.537 56.395 54.840 0.030 0.000 0.749 36 L CB -0.901 41.182 42.059 0.041 0.000 0.890 36 L HN 0.138 nan 8.230 nan 0.000 0.433 37 F N 0.046 119.959 119.950 -0.063 0.000 2.225 37 F HA -0.335 4.195 4.527 0.004 0.000 0.302 37 F C 2.417 178.141 175.800 -0.127 0.000 1.068 37 F CA 1.627 59.577 58.000 -0.084 0.000 1.327 37 F CB 0.009 38.956 39.000 -0.089 0.000 1.043 37 F HN 0.056 nan 8.300 nan 0.000 0.506 38 M N 0.145 119.763 119.600 0.029 0.000 2.216 38 M HA 0.127 4.610 4.480 0.004 0.000 0.264 38 M C 2.348 178.563 176.300 -0.142 0.000 1.080 38 M CA 1.732 56.977 55.300 -0.091 0.000 1.153 38 M CB -0.950 31.610 32.600 -0.068 0.000 1.356 38 M HN 0.096 nan 8.290 nan 0.000 0.432 39 A N -0.247 122.517 122.820 -0.093 0.000 1.978 39 A HA -0.012 4.310 4.320 0.004 0.000 0.220 39 A C 2.291 179.801 177.584 -0.123 0.000 1.170 39 A CA 1.912 53.897 52.037 -0.086 0.000 0.636 39 A CB -1.339 17.634 19.000 -0.045 0.000 0.810 39 A HN 0.576 nan 8.150 nan 0.000 0.448 40 A N -0.749 121.967 122.820 -0.172 0.000 2.024 40 A HA 0.036 4.359 4.320 0.004 0.000 0.220 40 A C 2.121 179.551 177.584 -0.255 0.000 1.164 40 A CA 1.830 53.733 52.037 -0.223 0.000 0.643 40 A CB -0.552 18.250 19.000 -0.330 0.000 0.806 40 A HN 0.394 nan 8.150 nan 0.000 0.451 41 V N -1.050 118.696 119.914 -0.281 0.000 2.500 41 V HA -0.121 4.002 4.120 0.004 0.000 0.243 41 V C 2.484 178.492 176.094 -0.143 0.000 1.039 41 V CA 1.393 63.554 62.300 -0.230 0.000 1.053 41 V CB -0.428 31.243 31.823 -0.253 0.000 0.695 41 V HN 0.326 nan 8.190 nan 0.000 0.463 42 V N 1.431 121.267 119.914 -0.131 0.000 2.392 42 V HA -0.233 3.890 4.120 0.004 0.000 0.249 42 V C 2.618 178.654 176.094 -0.096 0.000 1.059 42 V CA 2.364 64.602 62.300 -0.104 0.000 1.051 42 V CB -1.429 30.337 31.823 -0.096 0.000 0.658 42 V HN 0.610 nan 8.190 nan 0.000 0.455 43 G N -0.505 108.236 108.800 -0.097 0.000 2.404 43 G HA2 -0.226 3.736 3.960 0.004 0.000 0.215 43 G HA3 -0.226 3.736 3.960 0.004 0.000 0.215 43 G C 1.671 176.528 174.900 -0.071 0.000 1.174 43 G CA 1.404 46.455 45.100 -0.083 0.000 0.780 43 G HN 0.468 nan 8.290 nan 0.000 0.537 44 T N 1.091 115.599 114.554 -0.076 0.000 2.803 44 T HA -0.066 4.286 4.350 0.004 0.000 0.269 44 T C 2.210 176.884 174.700 -0.044 0.000 1.052 44 T CA 0.898 62.967 62.100 -0.052 0.000 1.136 44 T CB -0.058 68.772 68.868 -0.063 0.000 0.864 44 T HN 0.045 nan 8.240 nan 0.000 0.467 45 L N 0.080 121.268 121.223 -0.058 0.000 2.185 45 L HA 0.171 4.514 4.340 0.004 0.000 0.198 45 L C 2.616 179.437 176.870 -0.081 0.000 1.079 45 L CA 0.855 55.661 54.840 -0.056 0.000 0.780 45 L CB -1.075 40.956 42.059 -0.047 0.000 0.955 45 L HN 0.045 nan 8.230 nan 0.000 0.462 46 V N 0.283 120.142 119.914 -0.092 0.000 2.317 46 V HA -0.315 3.808 4.120 0.004 0.000 0.251 46 V C 2.471 178.492 176.094 -0.122 0.000 1.065 46 V CA 2.178 64.408 62.300 -0.117 0.000 1.049 46 V CB -1.457 30.297 31.823 -0.115 0.000 0.651 46 V HN 0.599 nan 8.190 nan 0.000 0.450 47 G N -0.802 107.944 108.800 -0.091 0.000 2.394 47 G HA2 -0.195 3.767 3.960 0.004 0.000 0.214 47 G HA3 -0.195 3.767 3.960 0.004 0.000 0.214 47 G C 1.442 176.291 174.900 -0.086 0.000 1.176 47 G CA 0.690 45.749 45.100 -0.069 0.000 0.786 47 G HN 0.424 nan 8.290 nan 0.000 0.533 48 L N 1.391 122.561 121.223 -0.088 0.000 2.450 48 L HA 0.199 4.541 4.340 0.004 0.000 0.224 48 L C 2.726 179.492 176.870 -0.174 0.000 1.149 48 L CA 1.217 55.974 54.840 -0.137 0.000 0.816 48 L CB -0.468 41.551 42.059 -0.067 0.000 0.932 48 L HN 0.261 nan 8.230 nan 0.000 0.449 49 A N -1.274 121.450 122.820 -0.161 0.000 1.871 49 A HA 0.180 4.502 4.320 0.004 0.000 0.211 49 A C 2.416 179.842 177.584 -0.264 0.000 1.207 49 A CA 0.923 52.827 52.037 -0.222 0.000 0.620 49 A CB -0.854 18.002 19.000 -0.239 0.000 0.860 49 A HN 0.393 nan 8.150 nan 0.000 0.450 50 A N -0.311 122.390 122.820 -0.198 0.000 1.908 50 A HA -0.060 4.262 4.320 0.004 0.000 0.218 50 A C 2.326 179.902 177.584 -0.013 0.000 1.181 50 A CA 1.910 53.885 52.037 -0.105 0.000 0.627 50 A CB -1.228 17.721 19.000 -0.086 0.000 0.818 50 A HN 0.974 nan 8.150 nan 0.000 0.445 51 V N -0.189 119.679 119.914 -0.076 0.000 2.332 51 V HA -0.211 3.912 4.120 0.004 0.000 0.248 51 V C 2.647 178.648 176.094 -0.155 0.000 1.055 51 V CA 2.595 64.822 62.300 -0.122 0.000 1.038 51 V CB -0.853 30.742 31.823 -0.381 0.000 0.651 51 V HN 0.615 nan 8.190 nan 0.000 0.450 52 A N -0.641 122.070 122.820 -0.181 0.000 1.873 52 A HA -0.131 4.192 4.320 0.004 0.000 0.215 52 A C 2.125 179.716 177.584 0.012 0.000 1.186 52 A CA 1.851 53.835 52.037 -0.087 0.000 0.616 52 A CB -0.960 18.020 19.000 -0.033 0.000 0.823 52 A HN 0.712 nan 8.150 nan 0.000 0.442 53 F N 1.590 121.388 119.950 -0.254 0.000 2.025 53 F HA -0.266 4.264 4.527 0.004 0.000 0.297 53 F C 1.990 177.765 175.800 -0.042 0.000 1.132 53 F CA 2.510 60.363 58.000 -0.246 0.000 1.191 53 F CB -0.657 38.041 39.000 -0.502 0.000 0.963 53 F HN 0.401 nan 8.300 nan 0.000 0.481 54 D N 0.410 120.801 120.400 -0.016 0.000 2.137 54 D HA -0.279 4.363 4.640 0.004 0.000 0.189 54 D C 2.228 178.491 176.300 -0.061 0.000 0.998 54 D CA 2.060 56.030 54.000 -0.050 0.000 0.839 54 D CB -0.481 40.401 40.800 0.136 0.000 0.962 54 D HN 0.112 nan 8.370 nan 0.000 0.446 55 K N -0.019 120.376 120.400 -0.009 0.000 2.218 55 K HA -0.095 4.228 4.320 0.004 0.000 0.205 55 K C 2.049 178.666 176.600 0.029 0.000 1.046 55 K CA 1.409 57.706 56.287 0.018 0.000 0.933 55 K CB -0.784 31.718 32.500 0.003 0.000 0.728 55 K HN 0.357 nan 8.250 nan 0.000 0.454 56 G N -0.029 108.760 108.800 -0.018 0.000 2.396 56 G HA2 -0.130 3.832 3.960 0.004 0.000 0.214 56 G HA3 -0.130 3.832 3.960 0.004 0.000 0.214 56 G C 1.570 176.487 174.900 0.029 0.000 1.166 56 G CA 0.530 45.651 45.100 0.034 0.000 0.793 56 G HN 0.176 nan 8.290 nan 0.000 0.533 57 V N 1.528 121.334 119.914 -0.179 0.000 2.594 57 V HA -0.059 4.064 4.120 0.004 0.000 0.253 57 V C 3.118 179.191 176.094 -0.035 0.000 1.069 57 V CA 1.722 63.910 62.300 -0.187 0.000 1.082 57 V CB -0.487 31.105 31.823 -0.385 0.000 0.680 57 V HN 0.444 nan 8.190 nan 0.000 0.469 58 A N -1.698 121.135 122.820 0.022 0.000 2.119 58 A HA -0.137 4.186 4.320 0.004 0.000 0.216 58 A C 1.849 179.518 177.584 0.142 0.000 1.152 58 A CA 0.785 52.869 52.037 0.078 0.000 0.708 58 A CB -0.542 18.513 19.000 0.092 0.000 0.805 58 A HN 0.721 nan 8.150 nan 0.000 0.460 59 W N 0.167 121.446 121.300 -0.035 0.000 2.576 59 W HA 0.135 4.798 4.660 0.004 0.000 0.275 59 W C 1.367 177.871 176.519 -0.025 0.000 1.241 59 W CA 0.875 58.206 57.345 -0.022 0.000 1.328 59 W CB -0.071 29.376 29.460 -0.021 0.000 1.092 59 W HN 0.185 nan 8.180 nan 0.000 0.586 60 L N 0.486 121.683 121.223 -0.043 0.000 2.376 60 L HA -0.128 4.215 4.340 0.004 0.000 0.219 60 L C 2.140 178.900 176.870 -0.184 0.000 1.133 60 L CA 1.032 55.746 54.840 -0.209 0.000 0.816 60 L CB -0.661 41.348 42.059 -0.083 0.000 0.933 60 L HN 0.082 nan 8.230 nan 0.000 0.449 61 Q N -0.596 119.143 119.800 -0.101 0.000 2.354 61 Q HA -0.092 4.250 4.340 0.004 0.000 0.203 61 Q C 1.783 177.733 176.000 -0.084 0.000 0.933 61 Q CA 0.705 56.470 55.803 -0.063 0.000 0.901 61 Q CB 0.051 28.785 28.738 -0.006 0.000 1.007 61 Q HN 0.564 nan 8.270 nan 0.000 0.495 62 N N -0.146 118.479 118.700 -0.125 0.000 2.207 62 N HA -0.151 4.592 4.740 0.004 0.000 0.182 62 N C 1.744 177.124 175.510 -0.217 0.000 1.020 62 N CA 0.512 53.490 53.050 -0.120 0.000 0.858 62 N CB 0.353 38.800 38.487 -0.066 0.000 0.991 62 N HN 0.103 nan 8.380 nan 0.000 0.427 63 Q N 0.964 120.518 119.800 -0.410 0.000 2.020 63 Q HA -0.110 4.232 4.340 0.004 0.000 0.198 63 Q C 1.976 177.824 176.000 -0.254 0.000 0.974 63 Q CA 1.014 56.566 55.803 -0.418 0.000 0.829 63 Q CB -0.578 27.751 28.738 -0.681 0.000 0.894 63 Q HN 0.363 nan 8.270 nan 0.000 0.433 64 R N -0.308 120.062 120.500 -0.217 0.000 2.200 64 R HA -0.054 4.288 4.340 0.004 0.000 0.234 64 R C 1.723 177.968 176.300 -0.091 0.000 1.127 64 R CA 0.927 56.948 56.100 -0.133 0.000 0.989 64 R CB 0.128 30.368 30.300 -0.099 0.000 0.869 64 R HN 0.140 nan 8.270 nan 0.000 0.459 65 M N -1.448 118.100 119.600 -0.086 0.000 2.465 65 M HA 0.117 4.600 4.480 0.004 0.000 0.249 65 M C 1.748 178.020 176.300 -0.047 0.000 1.130 65 M CA 0.601 55.877 55.300 -0.040 0.000 1.067 65 M CB 0.680 33.273 32.600 -0.012 0.000 1.394 65 M HN 0.286 nan 8.290 nan 0.000 0.483 66 G N -0.476 108.272 108.800 -0.085 0.000 2.494 66 G HA2 0.086 4.048 3.960 0.004 0.000 0.216 66 G HA3 0.086 4.048 3.960 0.004 0.000 0.216 66 G C 1.382 176.239 174.900 -0.071 0.000 1.140 66 G CA 0.724 45.779 45.100 -0.074 0.000 0.801 66 G HN 0.485 nan 8.290 nan 0.000 0.536 67 A N 0.156 122.919 122.820 -0.095 0.000 2.208 67 A HA 0.404 4.727 4.320 0.004 0.000 0.209 67 A C 1.806 179.361 177.584 -0.048 0.000 1.161 67 A CA 0.182 52.171 52.037 -0.081 0.000 0.782 67 A CB -0.123 18.816 19.000 -0.102 0.000 0.816 67 A HN 0.319 nan 8.150 nan 0.000 0.477 68 L N -0.456 120.728 121.223 -0.066 0.000 2.685 68 L HA 0.145 4.488 4.340 0.004 0.000 0.233 68 L C 0.674 177.499 176.870 -0.074 0.000 1.173 68 L CA 0.001 54.771 54.840 -0.117 0.000 0.961 68 L CB 0.595 42.557 42.059 -0.161 0.000 1.217 68 L HN 0.187 nan 8.230 nan 0.000 0.478 69 V N -2.631 117.279 119.914 -0.007 0.000 3.411 69 V HA 0.019 4.142 4.120 0.004 0.000 0.287 69 V C 1.517 177.643 176.094 0.053 0.000 1.543 69 V CA 0.053 62.363 62.300 0.016 0.000 1.028 69 V CB 0.473 32.315 31.823 0.031 0.000 0.840 69 V HN 0.331 nan 8.190 nan 0.000 0.435 70 H N 1.765 120.806 119.070 -0.050 0.000 2.399 70 H HA 0.019 4.578 4.556 0.004 0.000 0.300 70 H C 1.938 177.240 175.328 -0.044 0.000 1.048 70 H CA 1.978 58.003 56.048 -0.038 0.000 1.370 70 H CB 0.482 30.221 29.762 -0.039 0.000 1.428 70 H HN 0.486 nan 8.280 nan 0.000 0.534 71 T N -2.345 112.230 114.554 0.035 0.000 3.275 71 T HA 0.484 4.836 4.350 0.004 0.000 0.265 71 T C 0.844 175.494 174.700 -0.083 0.000 0.978 71 T CA -0.029 62.051 62.100 -0.033 0.000 0.923 71 T CB 0.094 68.948 68.868 -0.023 0.000 1.126 71 T HN 0.337 nan 8.240 nan 0.000 0.538 72 A N 0.783 123.556 122.820 -0.079 0.000 2.416 72 A HA 0.267 4.590 4.320 0.004 0.000 0.252 72 A C 1.301 178.842 177.584 -0.072 0.000 1.353 72 A CA -0.246 51.726 52.037 -0.109 0.000 0.996 72 A CB -0.315 18.646 19.000 -0.065 0.000 0.961 72 A HN 0.560 nan 8.150 nan 0.000 0.523 73 D N 0.491 120.863 120.400 -0.046 0.000 2.468 73 D HA -0.017 4.626 4.640 0.004 0.000 0.243 73 D C 0.137 176.478 176.300 0.069 0.000 0.994 73 D CA 0.560 54.566 54.000 0.010 0.000 0.932 73 D CB -0.148 40.653 40.800 0.001 0.000 1.078 73 D HN 0.642 nan 8.370 nan 0.000 0.473 74 N N 0.487 119.218 118.700 0.051 0.000 2.400 74 N HA 0.026 4.769 4.740 0.004 0.000 0.288 74 N C 0.107 175.693 175.510 0.127 0.000 1.024 74 N CA -0.425 52.704 53.050 0.131 0.000 0.894 74 N CB 1.414 39.946 38.487 0.075 0.000 1.173 74 N HN -0.077 nan 8.380 nan 0.000 0.487 75 Y N 1.424 121.732 120.300 0.014 0.000 2.224 75 Y HA -0.005 4.548 4.550 0.004 0.000 0.289 75 Y C -0.348 175.553 175.900 0.002 0.000 1.146 75 Y CA 0.978 59.092 58.100 0.024 0.000 1.182 75 Y CB -1.600 36.906 38.460 0.076 0.000 0.983 75 Y HN 0.512 nan 8.280 nan 0.000 0.524 76 P HA -0.206 nan 4.420 nan 0.000 0.215 76 P C 1.922 179.238 177.300 0.027 0.000 1.157 76 P CA 1.419 64.565 63.100 0.077 0.000 0.868 76 P CB -0.007 31.727 31.700 0.056 0.000 0.788 77 L N -0.603 120.626 121.223 0.010 0.000 2.027 77 L HA -0.081 4.262 4.340 0.004 0.000 0.206 77 L C 2.518 179.355 176.870 -0.055 0.000 1.074 77 L CA 1.564 56.393 54.840 -0.018 0.000 0.745 77 L CB -1.715 40.334 42.059 -0.017 0.000 0.898 77 L HN -0.160 nan 8.230 nan 0.000 0.433 78 L N 0.070 121.228 121.223 -0.108 0.000 1.956 78 L HA -0.247 4.096 4.340 0.004 0.000 0.216 78 L C 2.419 179.156 176.870 -0.221 0.000 1.073 78 L CA 2.251 56.948 54.840 -0.238 0.000 0.762 78 L CB -1.161 40.650 42.059 -0.414 0.000 0.889 78 L HN 0.385 nan 8.230 nan 0.000 0.433 79 L N -0.819 120.321 121.223 -0.137 0.000 2.551 79 L HA -0.191 4.152 4.340 0.004 0.000 0.230 79 L C 1.986 178.878 176.870 0.036 0.000 1.163 79 L CA 0.931 55.764 54.840 -0.012 0.000 0.826 79 L CB -0.852 41.271 42.059 0.106 0.000 0.943 79 L HN 0.369 nan 8.230 nan 0.000 0.452 80 T N -1.301 113.255 114.554 0.003 0.000 3.056 80 T HA -0.018 4.335 4.350 0.004 0.000 0.241 80 T C 1.867 176.607 174.700 0.066 0.000 1.006 80 T CA 0.855 62.971 62.100 0.026 0.000 1.115 80 T CB 0.172 69.028 68.868 -0.021 0.000 0.939 80 T HN 0.244 nan 8.240 nan 0.000 0.462 81 V N 1.429 121.351 119.914 0.013 0.000 2.490 81 V HA -0.023 4.099 4.120 0.004 0.000 0.250 81 V C 2.615 178.729 176.094 0.034 0.000 1.061 81 V CA 1.539 63.850 62.300 0.018 0.000 1.064 81 V CB -1.666 30.142 31.823 -0.025 0.000 0.670 81 V HN 0.411 nan 8.190 nan 0.000 0.461 82 A N 0.785 123.614 122.820 0.016 0.000 1.851 82 A HA -0.188 4.134 4.320 0.004 0.000 0.216 82 A C 2.111 179.760 177.584 0.108 0.000 1.195 82 A CA 2.096 54.151 52.037 0.029 0.000 0.622 82 A CB -1.046 17.961 19.000 0.012 0.000 0.831 82 A HN 0.677 nan 8.150 nan 0.000 0.444 83 F N 0.055 120.008 119.950 0.006 0.000 2.161 83 F HA -0.146 4.384 4.527 0.004 0.000 0.300 83 F C 1.798 177.610 175.800 0.020 0.000 1.089 83 F CA 1.578 59.592 58.000 0.024 0.000 1.282 83 F CB -0.424 38.592 39.000 0.026 0.000 1.010 83 F HN 0.170 nan 8.300 nan 0.000 0.485 84 L N 0.012 121.469 121.223 0.390 0.000 1.976 84 L HA -0.223 4.119 4.340 0.004 0.000 0.209 84 L C 2.629 179.560 176.870 0.102 0.000 1.071 84 L CA 1.970 56.970 54.840 0.267 0.000 0.746 84 L CB -1.224 40.935 42.059 0.167 0.000 0.890 84 L HN 0.304 nan 8.230 nan 0.000 0.432 85 C N -1.395 117.935 119.300 0.051 0.000 2.413 85 C HA -0.163 4.299 4.460 0.004 0.000 0.276 85 C C 2.929 177.915 174.990 -0.007 0.000 1.248 85 C CA 1.235 60.258 59.018 0.009 0.000 1.742 85 C CB -1.168 26.559 27.740 -0.021 0.000 2.017 85 C HN 0.609 nan 8.230 nan 0.000 0.481 86 S N 0.838 116.516 115.700 -0.037 0.000 2.355 86 S HA -0.065 4.407 4.470 0.004 0.000 0.222 86 S C 2.226 176.783 174.600 -0.073 0.000 1.031 86 S CA 1.261 59.426 58.200 -0.058 0.000 0.993 86 S CB -0.528 62.612 63.200 -0.098 0.000 0.859 86 S HN 0.711 nan 8.310 nan 0.000 0.453 87 A N 1.387 124.107 122.820 -0.166 0.000 1.908 87 A HA -0.074 4.249 4.320 0.004 0.000 0.218 87 A C 2.344 179.940 177.584 0.021 0.000 1.181 87 A CA 1.654 53.605 52.037 -0.143 0.000 0.627 87 A CB -1.013 17.885 19.000 -0.171 0.000 0.818 87 A HN 0.334 nan 8.150 nan 0.000 0.445 88 V N 0.102 120.050 119.914 0.056 0.000 2.255 88 V HA -0.285 3.838 4.120 0.004 0.000 0.247 88 V C 2.590 178.774 176.094 0.150 0.000 1.051 88 V CA 2.106 64.469 62.300 0.104 0.000 1.018 88 V CB -0.877 30.999 31.823 0.090 0.000 0.641 88 V HN 0.575 nan 8.190 nan 0.000 0.445 89 L N 0.107 121.395 121.223 0.107 0.000 2.017 89 L HA -0.163 4.180 4.340 0.004 0.000 0.208 89 L C 2.763 179.761 176.870 0.212 0.000 1.073 89 L CA 1.621 56.532 54.840 0.118 0.000 0.745 89 L CB -0.875 41.206 42.059 0.037 0.000 0.894 89 L HN 0.364 nan 8.230 nan 0.000 0.432 90 A N -0.313 122.627 122.820 0.200 0.000 1.940 90 A HA -0.229 4.093 4.320 0.004 0.000 0.219 90 A C 2.329 180.183 177.584 0.450 0.000 1.176 90 A CA 1.585 53.823 52.037 0.334 0.000 0.631 90 A CB -0.361 18.801 19.000 0.270 0.000 0.814 90 A HN 0.254 nan 8.150 nan 0.000 0.446 91 M N -1.667 118.109 119.600 0.293 0.000 2.443 91 M HA -0.135 4.348 4.480 0.004 0.000 0.267 91 M C 2.104 178.654 176.300 0.417 0.000 1.069 91 M CA 1.608 57.073 55.300 0.274 0.000 1.085 91 M CB -1.710 30.997 32.600 0.179 0.000 1.243 91 M HN 0.479 nan 8.290 nan 0.000 0.464 92 F N 1.078 121.168 119.950 0.234 0.000 2.158 92 F HA -0.256 4.273 4.527 0.004 0.000 0.299 92 F C 2.039 177.996 175.800 0.262 0.000 1.060 92 F CA 1.783 59.938 58.000 0.258 0.000 1.284 92 F CB -0.926 38.177 39.000 0.171 0.000 1.035 92 F HN 0.207 nan 8.300 nan 0.000 0.496 93 G N -1.339 107.809 108.800 0.581 0.000 2.547 93 G HA2 -0.273 3.689 3.960 0.004 0.000 0.214 93 G HA3 -0.273 3.689 3.960 0.004 0.000 0.214 93 G C 1.312 176.418 174.900 0.344 0.000 1.254 93 G CA 0.697 46.050 45.100 0.421 0.000 0.817 93 G HN 0.405 nan 8.290 nan 0.000 0.551 94 Y N 0.284 120.731 120.300 0.245 0.000 2.348 94 Y HA -0.124 4.429 4.550 0.004 0.000 0.285 94 Y C 2.209 178.209 175.900 0.167 0.000 1.173 94 Y CA 1.004 59.220 58.100 0.192 0.000 1.263 94 Y CB -0.549 38.072 38.460 0.267 0.000 0.974 94 Y HN 0.279 nan 8.280 nan 0.000 0.547 95 F N -0.284 119.771 119.950 0.175 0.000 1.999 95 F HA -0.260 4.269 4.527 0.004 0.000 0.293 95 F C 2.061 177.870 175.800 0.014 0.000 1.173 95 F CA 0.592 58.621 58.000 0.049 0.000 1.162 95 F CB -0.355 38.631 39.000 -0.023 0.000 0.981 95 F HN -0.149 nan 8.300 nan 0.000 0.479 96 L N 0.720 121.862 121.223 -0.134 0.000 2.123 96 L HA -0.296 4.046 4.340 0.004 0.000 0.217 96 L C 2.295 179.132 176.870 -0.055 0.000 1.081 96 L CA 1.385 56.061 54.840 -0.272 0.000 0.772 96 L CB -1.641 40.321 42.059 -0.162 0.000 0.890 96 L HN 0.236 nan 8.230 nan 0.000 0.437 97 V N -0.696 119.222 119.914 0.006 0.000 2.283 97 V HA -0.190 3.933 4.120 0.004 0.000 0.243 97 V C 2.685 178.733 176.094 -0.076 0.000 1.039 97 V CA 1.316 63.596 62.300 -0.033 0.000 1.016 97 V CB -0.438 31.345 31.823 -0.066 0.000 0.650 97 V HN 0.379 nan 8.190 nan 0.000 0.449 98 R N 0.218 120.658 120.500 -0.099 0.000 2.096 98 R HA -0.130 4.212 4.340 0.004 0.000 0.235 98 R C 2.206 178.480 176.300 -0.043 0.000 1.127 98 R CA 1.416 57.407 56.100 -0.181 0.000 0.968 98 R CB -0.436 29.717 30.300 -0.244 0.000 0.861 98 R HN 0.386 nan 8.270 nan 0.000 0.440 99 K N -0.250 120.207 120.400 0.094 0.000 2.063 99 K HA -0.022 4.301 4.320 0.004 0.000 0.204 99 K C 1.766 178.351 176.600 -0.025 0.000 1.039 99 K CA 1.205 57.545 56.287 0.088 0.000 0.957 99 K CB -0.239 32.407 32.500 0.242 0.000 0.764 99 K HN 0.013 nan 8.250 nan 0.000 0.447 100 Y N -0.610 119.598 120.300 -0.152 0.000 2.490 100 Y HA 0.406 4.958 4.550 0.004 0.000 0.285 100 Y C -0.012 175.830 175.900 -0.096 0.000 1.117 100 Y CA 0.283 58.309 58.100 -0.124 0.000 1.262 100 Y CB 0.588 38.956 38.460 -0.154 0.000 1.043 100 Y HN 0.130 nan 8.280 nan 0.000 0.553 101 A N 0.055 122.898 122.820 0.038 0.000 2.503 101 A HA 0.257 4.579 4.320 0.004 0.000 0.275 101 A C -2.307 175.244 177.584 -0.055 0.000 1.339 101 A CA -0.720 51.301 52.037 -0.027 0.000 0.984 101 A CB -0.134 18.841 19.000 -0.041 0.000 1.382 101 A HN -0.049 nan 8.150 nan 0.000 0.609 102 P HA -0.131 nan 4.420 nan 0.000 0.240 102 P C 0.516 177.767 177.300 -0.081 0.000 1.186 102 P CA 0.943 63.979 63.100 -0.108 0.000 0.755 102 P CB 0.387 32.012 31.700 -0.125 0.000 0.870 103 E N 0.386 120.543 120.200 -0.071 0.000 2.140 103 E HA 0.040 4.393 4.350 0.004 0.000 0.191 103 E C 1.740 178.306 176.600 -0.058 0.000 0.973 103 E CA 0.548 56.908 56.400 -0.066 0.000 0.829 103 E CB -0.516 29.133 29.700 -0.085 0.000 0.781 103 E HN 0.231 nan 8.360 nan 0.000 0.466 104 A N 1.769 124.555 122.820 -0.057 0.000 2.346 104 A HA 0.318 4.640 4.320 0.004 0.000 0.242 104 A C 0.902 178.468 177.584 -0.030 0.000 1.323 104 A CA 0.442 52.453 52.037 -0.042 0.000 0.940 104 A CB -0.654 18.326 19.000 -0.033 0.000 0.943 104 A HN 0.085 nan 8.150 nan 0.000 0.501 105 G N -1.614 107.165 108.800 -0.036 0.000 2.379 105 G HA2 0.625 4.587 3.960 0.004 0.000 0.327 105 G HA3 0.625 4.587 3.960 0.004 0.000 0.327 105 G C 0.364 175.254 174.900 -0.017 0.000 1.145 105 G CA 0.180 45.261 45.100 -0.032 0.000 0.905 105 G HN 1.410 nan 8.290 nan 0.000 0.466 106 G N 0.738 109.529 108.800 -0.016 0.000 2.466 106 G HA2 -0.069 3.894 3.960 0.004 0.000 0.218 106 G HA3 -0.069 3.894 3.960 0.004 0.000 0.218 106 G C 1.162 176.189 174.900 0.212 0.000 1.237 106 G CA 0.739 45.819 45.100 -0.033 0.000 0.954 106 G HN 1.422 nan 8.290 nan 0.000 0.580 107 S N -0.828 115.106 115.700 0.391 0.000 2.365 107 S HA 0.414 4.887 4.470 0.004 0.000 0.194 107 S C 2.023 176.673 174.600 0.083 0.000 1.093 107 S CA 3.047 61.438 58.200 0.318 0.000 1.224 107 S CB -0.461 62.945 63.200 0.343 0.000 0.961 107 S HN 2.685 nan 8.310 nan 0.000 0.412 108 G N -0.732 108.066 108.800 -0.003 0.000 3.246 108 G HA2 -0.076 3.886 3.960 0.004 0.000 0.218 108 G HA3 -0.076 3.886 3.960 0.004 0.000 0.218 108 G C 0.690 175.501 174.900 -0.149 0.000 0.978 108 G CA 0.292 45.348 45.100 -0.074 0.000 0.825 108 G HN 0.421 nan 8.290 nan 0.000 0.546 109 I N 2.507 122.926 120.570 -0.251 0.000 2.193 109 I HA 0.073 4.246 4.170 0.004 0.000 0.240 109 I C 0.418 176.325 176.117 -0.349 0.000 1.084 109 I CA 1.575 62.632 61.300 -0.406 0.000 1.365 109 I CB -0.682 36.810 38.000 -0.846 0.000 1.064 109 I HN 0.131 nan 8.210 nan 0.000 0.410 110 P HA -0.230 nan 4.420 nan 0.000 0.218 110 P C 1.453 178.706 177.300 -0.079 0.000 1.146 110 P CA 1.566 64.598 63.100 -0.112 0.000 0.813 110 P CB 0.089 31.813 31.700 0.039 0.000 0.778 111 E N 0.311 120.458 120.200 -0.088 0.000 2.030 111 E HA -0.074 4.278 4.350 0.004 0.000 0.189 111 E C 2.149 178.696 176.600 -0.089 0.000 0.974 111 E CA 0.641 56.999 56.400 -0.070 0.000 0.807 111 E CB -0.389 29.274 29.700 -0.062 0.000 0.771 111 E HN 0.051 nan 8.360 nan 0.000 0.451 112 I N 1.872 122.374 120.570 -0.115 0.000 2.335 112 I HA -0.237 3.935 4.170 0.004 0.000 0.251 112 I C 2.476 178.513 176.117 -0.134 0.000 1.129 112 I CA 1.289 62.518 61.300 -0.118 0.000 1.402 112 I CB -1.063 36.855 38.000 -0.137 0.000 1.069 112 I HN 0.333 nan 8.210 nan 0.000 0.424 113 E N 0.974 121.081 120.200 -0.155 0.000 2.204 113 E HA -0.148 4.205 4.350 0.004 0.000 0.194 113 E C 2.253 178.791 176.600 -0.105 0.000 0.989 113 E CA 1.196 57.503 56.400 -0.156 0.000 0.824 113 E CB -0.083 29.518 29.700 -0.164 0.000 0.756 113 E HN 0.469 nan 8.360 nan 0.000 0.477 114 G N 0.433 109.186 108.800 -0.078 0.000 2.411 114 G HA2 -0.082 3.880 3.960 0.004 0.000 0.213 114 G HA3 -0.082 3.880 3.960 0.004 0.000 0.213 114 G C 1.625 176.493 174.900 -0.053 0.000 1.166 114 G CA 0.406 45.477 45.100 -0.050 0.000 0.802 114 G HN 0.347 nan 8.290 nan 0.000 0.533 115 A N 0.414 123.199 122.820 -0.058 0.000 2.186 115 A HA 0.122 4.445 4.320 0.004 0.000 0.219 115 A C 2.156 179.701 177.584 -0.065 0.000 1.159 115 A CA 0.826 52.839 52.037 -0.039 0.000 0.680 115 A CB -0.293 18.686 19.000 -0.034 0.000 0.787 115 A HN 0.376 nan 8.150 nan 0.000 0.467 116 L N -1.185 119.954 121.223 -0.140 0.000 2.558 116 L HA 0.072 4.415 4.340 0.004 0.000 0.225 116 L C 1.696 178.371 176.870 -0.325 0.000 1.128 116 L CA 0.298 54.956 54.840 -0.303 0.000 0.868 116 L CB -0.022 41.860 42.059 -0.295 0.000 1.006 116 L HN 0.301 nan 8.230 nan 0.000 0.454 117 E N -0.727 119.397 120.200 -0.126 0.000 2.489 117 E HA 0.020 4.373 4.350 0.004 0.000 0.204 117 E C -0.566 176.049 176.600 0.026 0.000 1.006 117 E CA 0.110 56.484 56.400 -0.043 0.000 0.936 117 E CB 0.600 30.290 29.700 -0.016 0.000 1.002 117 E HN 0.215 nan 8.360 nan 0.000 0.488 118 D N 1.394 121.814 120.400 0.034 0.000 3.585 118 D HA -0.126 4.516 4.640 0.004 0.000 0.251 118 D C -0.465 175.859 176.300 0.040 0.000 1.065 118 D CA 0.878 54.919 54.000 0.069 0.000 1.048 118 D CB -0.928 39.940 40.800 0.113 0.000 0.952 118 D HN 0.201 nan 8.370 nan 0.000 0.421 119 Q N -0.607 119.207 119.800 0.023 0.000 2.776 119 Q HA 0.354 4.696 4.340 0.004 0.000 0.289 119 Q C -0.476 175.526 176.000 0.004 0.000 0.912 119 Q CA -0.863 54.949 55.803 0.014 0.000 0.789 119 Q CB 1.178 29.920 28.738 0.006 0.000 1.498 119 Q HN 0.154 nan 8.270 nan 0.000 0.408 120 R N -0.175 120.326 120.500 0.001 0.000 3.188 120 R HA -0.133 4.210 4.340 0.004 0.000 0.247 120 R C -2.381 173.910 176.300 -0.014 0.000 0.918 120 R CA 0.534 56.627 56.100 -0.011 0.000 0.629 120 R CB -2.052 28.236 30.300 -0.019 0.000 1.087 120 R HN 0.526 nan 8.270 nan 0.000 0.462 121 P HA -0.072 nan 4.420 nan 0.000 0.272 121 P C 0.138 177.418 177.300 -0.034 0.000 1.225 121 P CA 0.092 63.199 63.100 0.012 0.000 0.800 121 P CB 0.594 32.322 31.700 0.046 0.000 0.894 122 V N 2.723 122.627 119.914 -0.017 0.000 2.398 122 V HA 0.296 4.419 4.120 0.004 0.000 0.286 122 V C 0.988 176.942 176.094 -0.233 0.000 1.026 122 V CA -0.436 61.821 62.300 -0.072 0.000 0.868 122 V CB 0.978 32.818 31.823 0.029 0.000 0.982 122 V HN 0.566 nan 8.190 nan 0.000 0.443 123 R N 4.450 124.602 120.500 -0.580 0.000 2.664 123 R HA 0.134 4.477 4.340 0.004 0.000 0.281 123 R C 0.509 176.070 176.300 -1.231 0.000 1.383 123 R CA -0.623 54.515 56.100 -1.603 0.000 1.563 123 R CB -0.376 28.847 30.300 -1.795 0.000 1.131 123 R HN 0.866 nan 8.270 nan 0.000 0.599 124 W N 2.225 123.181 121.300 -0.573 0.000 2.321 124 W HA -0.199 4.463 4.660 0.004 0.000 0.306 124 W C 1.275 177.684 176.519 -0.182 0.000 1.217 124 W CA 1.041 58.234 57.345 -0.254 0.000 1.257 124 W CB -0.977 28.452 29.460 -0.053 0.000 1.145 124 W HN 0.601 nan 8.180 nan 0.000 0.509 125 W N 1.372 122.125 121.300 -0.911 0.000 2.316 125 W HA -0.174 4.488 4.660 0.004 0.000 0.279 125 W C 1.882 178.322 176.519 -0.132 0.000 1.208 125 W CA 1.999 59.070 57.345 -0.456 0.000 1.182 125 W CB -1.175 27.927 29.460 -0.596 0.000 1.134 125 W HN -0.034 nan 8.180 nan 0.000 0.560 126 R N 0.021 120.292 120.500 -0.381 0.000 2.055 126 R HA 0.081 4.424 4.340 0.004 0.000 0.190 126 R C 2.340 178.587 176.300 -0.089 0.000 1.443 126 R CA 0.721 56.735 56.100 -0.143 0.000 1.188 126 R CB -0.833 29.346 30.300 -0.202 0.000 1.068 126 R HN 0.025 nan 8.270 nan 0.000 0.475 127 V N 2.901 122.706 119.914 -0.181 0.000 2.357 127 V HA -0.338 3.785 4.120 0.004 0.000 0.257 127 V C 2.401 178.498 176.094 0.006 0.000 1.082 127 V CA 1.869 64.115 62.300 -0.089 0.000 1.078 127 V CB -0.691 31.051 31.823 -0.136 0.000 0.663 127 V HN 0.289 nan 8.190 nan 0.000 0.455 128 L N 0.385 121.641 121.223 0.055 0.000 1.933 128 L HA -0.137 4.206 4.340 0.004 0.000 0.220 128 L C 0.431 177.425 176.870 0.208 0.000 1.078 128 L CA 2.436 57.357 54.840 0.134 0.000 0.773 128 L CB -2.117 40.069 42.059 0.210 0.000 0.890 128 L HN 0.345 nan 8.230 nan 0.000 0.434 129 P HA -0.112 nan 4.420 nan 0.000 0.221 129 P C 1.696 179.198 177.300 0.337 0.000 1.145 129 P CA 1.263 64.559 63.100 0.325 0.000 0.795 129 P CB 0.077 31.936 31.700 0.265 0.000 0.775 130 V N 1.024 121.048 119.914 0.183 0.000 2.239 130 V HA -0.178 3.945 4.120 0.004 0.000 0.242 130 V C 2.763 178.961 176.094 0.174 0.000 1.038 130 V CA 2.066 64.444 62.300 0.129 0.000 1.002 130 V CB -1.249 30.601 31.823 0.046 0.000 0.641 130 V HN 0.046 nan 8.190 nan 0.000 0.449 131 K N 0.181 120.650 120.400 0.114 0.000 2.074 131 K HA -0.188 4.135 4.320 0.004 0.000 0.209 131 K C 1.989 178.681 176.600 0.153 0.000 1.048 131 K CA 1.764 58.096 56.287 0.076 0.000 0.926 131 K CB -0.773 31.714 32.500 -0.020 0.000 0.713 131 K HN 0.470 nan 8.250 nan 0.000 0.444 132 F N -0.784 119.149 119.950 -0.029 0.000 2.026 132 F HA -0.244 4.285 4.527 0.004 0.000 0.296 132 F C 1.588 177.390 175.800 0.003 0.000 1.133 132 F CA 1.301 59.257 58.000 -0.073 0.000 1.188 132 F CB -0.132 38.753 39.000 -0.192 0.000 0.968 132 F HN 0.011 nan 8.300 nan 0.000 0.476 133 F N 0.648 120.782 119.950 0.307 0.000 2.259 133 F HA 0.037 4.566 4.527 0.004 0.000 0.298 133 F C 2.548 178.480 175.800 0.220 0.000 1.088 133 F CA 1.091 59.184 58.000 0.155 0.000 1.358 133 F CB -1.331 37.710 39.000 0.069 0.000 1.040 133 F HN 0.026 nan 8.300 nan 0.000 0.505 134 G N 0.049 109.089 108.800 0.400 0.000 2.480 134 G HA2 -0.210 3.752 3.960 0.004 0.000 0.216 134 G HA3 -0.210 3.752 3.960 0.004 0.000 0.216 134 G C 2.072 177.131 174.900 0.265 0.000 1.200 134 G CA 0.940 46.224 45.100 0.307 0.000 0.782 134 G HN 0.480 nan 8.290 nan 0.000 0.554 135 G N 0.564 109.534 108.800 0.284 0.000 2.418 135 G HA2 -0.123 3.840 3.960 0.004 0.000 0.217 135 G HA3 -0.123 3.840 3.960 0.004 0.000 0.217 135 G C 1.746 176.856 174.900 0.350 0.000 1.158 135 G CA 0.915 46.209 45.100 0.324 0.000 0.771 135 G HN 0.390 nan 8.290 nan 0.000 0.545 136 L N 1.712 123.187 121.223 0.420 0.000 2.189 136 L HA 0.029 4.371 4.340 0.004 0.000 0.214 136 L C 2.554 179.460 176.870 0.060 0.000 1.097 136 L CA 2.004 56.925 54.840 0.135 0.000 0.764 136 L CB -0.718 41.439 42.059 0.164 0.000 0.900 136 L HN 0.179 nan 8.230 nan 0.000 0.436 137 G N -2.074 106.793 108.800 0.111 0.000 2.473 137 G HA2 -0.178 3.785 3.960 0.004 0.000 0.212 137 G HA3 -0.178 3.785 3.960 0.004 0.000 0.212 137 G C 1.446 176.404 174.900 0.097 0.000 1.211 137 G CA 0.962 46.098 45.100 0.060 0.000 0.813 137 G HN 0.453 nan 8.290 nan 0.000 0.541 138 T N 0.830 115.469 114.554 0.142 0.000 2.665 138 T HA -0.102 4.250 4.350 0.004 0.000 0.268 138 T C 2.437 177.202 174.700 0.108 0.000 1.035 138 T CA 1.419 63.599 62.100 0.135 0.000 1.151 138 T CB -0.439 68.498 68.868 0.115 0.000 0.862 138 T HN 0.139 nan 8.240 nan 0.000 0.438 139 L N 0.933 122.220 121.223 0.108 0.000 2.072 139 L HA 0.163 4.506 4.340 0.004 0.000 0.205 139 L C 3.226 180.111 176.870 0.026 0.000 1.079 139 L CA 1.288 56.174 54.840 0.077 0.000 0.752 139 L CB -1.148 40.967 42.059 0.092 0.000 0.906 139 L HN 0.475 nan 8.230 nan 0.000 0.436 140 G N -0.304 108.495 108.800 -0.001 0.000 2.498 140 G HA2 -0.141 3.822 3.960 0.004 0.000 0.219 140 G HA3 -0.141 3.822 3.960 0.004 0.000 0.219 140 G C 1.503 176.397 174.900 -0.011 0.000 1.119 140 G CA 0.669 45.756 45.100 -0.023 0.000 0.766 140 G HN 0.496 nan 8.290 nan 0.000 0.552 141 G N -0.273 108.537 108.800 0.017 0.000 2.464 141 G HA2 0.336 4.299 3.960 0.004 0.000 0.217 141 G HA3 0.336 4.299 3.960 0.004 0.000 0.217 141 G C 1.201 176.111 174.900 0.017 0.000 1.138 141 G CA 0.601 45.711 45.100 0.018 0.000 0.793 141 G HN 1.418 nan 8.290 nan 0.000 0.539 142 G N -0.567 108.249 108.800 0.027 0.000 2.141 142 G HA2 -0.219 3.744 3.960 0.004 0.000 0.195 142 G HA3 -0.219 3.744 3.960 0.004 0.000 0.195 142 G C 0.283 175.205 174.900 0.037 0.000 1.012 142 G CA 0.072 45.189 45.100 0.028 0.000 0.696 142 G HN 0.376 nan 8.290 nan 0.000 0.508 143 M N 0.060 119.692 119.600 0.054 0.000 2.228 143 M HA 0.344 4.826 4.480 0.004 0.000 0.326 143 M C 1.258 177.596 176.300 0.063 0.000 1.122 143 M CA -0.381 54.962 55.300 0.071 0.000 1.161 143 M CB 1.265 33.931 32.600 0.109 0.000 1.437 143 M HN -0.085 nan 8.290 nan 0.000 0.465 144 V N 4.309 124.264 119.914 0.069 0.000 1.935 144 V HA 0.105 4.228 4.120 0.004 0.000 0.262 144 V C -0.054 176.089 176.094 0.081 0.000 1.726 144 V CA 0.444 62.776 62.300 0.053 0.000 1.656 144 V CB -1.857 30.000 31.823 0.056 0.000 1.532 144 V HN 0.516 nan 8.190 nan 0.000 0.509 145 L N 1.345 122.615 121.223 0.079 0.000 2.386 145 L HA 0.741 5.083 4.340 0.004 0.000 0.271 145 L C 0.798 177.716 176.870 0.080 0.000 0.993 145 L CA -0.520 54.388 54.840 0.113 0.000 0.819 145 L CB 1.961 44.113 42.059 0.156 0.000 1.294 145 L HN 0.448 nan 8.230 nan 0.000 0.414 146 G N 0.884 109.741 108.800 0.095 0.000 2.537 146 G HA2 0.358 4.320 3.960 0.004 0.000 0.273 146 G HA3 0.358 4.320 3.960 0.004 0.000 0.273 146 G C 0.492 175.493 174.900 0.168 0.000 1.189 146 G CA -0.568 44.597 45.100 0.110 0.000 0.881 146 G HN 0.855 nan 8.290 nan 0.000 0.535 147 R N -0.520 120.106 120.500 0.210 0.000 2.388 147 R HA 0.218 4.561 4.340 0.004 0.000 0.247 147 R C 0.651 176.991 176.300 0.067 0.000 0.931 147 R CA 0.094 56.330 56.100 0.226 0.000 1.082 147 R CB 0.294 30.810 30.300 0.360 0.000 1.135 147 R HN 0.431 nan 8.270 nan 0.000 0.525 148 E N 1.791 122.013 120.200 0.036 0.000 2.021 148 E HA 0.016 4.368 4.350 0.004 0.000 0.189 148 E C 2.072 178.585 176.600 -0.145 0.000 0.980 148 E CA 1.358 57.668 56.400 -0.149 0.000 0.803 148 E CB -0.718 28.882 29.700 -0.167 0.000 0.766 148 E HN 0.374 nan 8.360 nan 0.000 0.449 149 G N 2.526 111.297 108.800 -0.049 0.000 2.802 149 G HA2 -0.304 3.658 3.960 0.004 0.000 0.222 149 G HA3 -0.304 3.658 3.960 0.004 0.000 0.222 149 G C -0.770 174.050 174.900 -0.133 0.000 1.248 149 G CA 1.897 46.968 45.100 -0.049 0.000 0.787 149 G HN 0.296 nan 8.290 nan 0.000 0.643 150 P HA -0.235 nan 4.420 nan 0.000 0.216 150 P C 2.233 179.274 177.300 -0.432 0.000 1.167 150 P CA 3.306 66.199 63.100 -0.344 0.000 0.914 150 P CB -0.823 30.544 31.700 -0.555 0.000 0.793 151 T N -2.016 112.267 114.554 -0.452 0.000 2.708 151 T HA -0.110 4.242 4.350 0.004 0.000 0.266 151 T C 2.053 176.585 174.700 -0.280 0.000 1.037 151 T CA 1.685 63.552 62.100 -0.389 0.000 1.146 151 T CB -1.617 67.061 68.868 -0.316 0.000 0.865 151 T HN -0.103 nan 8.240 nan 0.000 0.435 152 V N 1.973 121.741 119.914 -0.244 0.000 2.287 152 V HA -0.232 3.890 4.120 0.004 0.000 0.248 152 V C 2.932 178.921 176.094 -0.174 0.000 1.053 152 V CA 2.329 64.511 62.300 -0.195 0.000 1.027 152 V CB -0.965 30.752 31.823 -0.178 0.000 0.646 152 V HN 0.583 nan 8.190 nan 0.000 0.447 153 Q N -0.180 119.515 119.800 -0.175 0.000 1.969 153 Q HA -0.147 4.196 4.340 0.004 0.000 0.198 153 Q C 2.256 178.172 176.000 -0.140 0.000 0.978 153 Q CA 1.965 57.682 55.803 -0.144 0.000 0.830 153 Q CB -0.231 28.431 28.738 -0.127 0.000 0.896 153 Q HN 0.593 nan 8.270 nan 0.000 0.431 154 I N 0.759 121.221 120.570 -0.180 0.000 2.300 154 I HA -0.304 3.868 4.170 0.004 0.000 0.252 154 I C 2.142 178.169 176.117 -0.148 0.000 1.119 154 I CA 1.206 62.403 61.300 -0.171 0.000 1.384 154 I CB -0.593 37.233 38.000 -0.291 0.000 1.062 154 I HN 0.458 nan 8.210 nan 0.000 0.426 155 G N 0.337 109.036 108.800 -0.167 0.000 2.404 155 G HA2 -0.128 3.834 3.960 0.004 0.000 0.214 155 G HA3 -0.128 3.834 3.960 0.004 0.000 0.214 155 G C 1.717 176.551 174.900 -0.110 0.000 1.189 155 G CA 0.698 45.712 45.100 -0.144 0.000 0.789 155 G HN 0.470 nan 8.290 nan 0.000 0.533 156 G N 1.069 109.807 108.800 -0.104 0.000 2.440 156 G HA2 -0.266 3.697 3.960 0.004 0.000 0.218 156 G HA3 -0.266 3.697 3.960 0.004 0.000 0.218 156 G C 1.746 176.615 174.900 -0.052 0.000 1.154 156 G CA 1.353 46.405 45.100 -0.080 0.000 0.767 156 G HN 0.433 nan 8.290 nan 0.000 0.552 157 N N 0.723 119.402 118.700 -0.036 0.000 2.039 157 N HA -0.070 4.673 4.740 0.004 0.000 0.193 157 N C 2.085 177.578 175.510 -0.029 0.000 1.044 157 N CA 0.835 53.904 53.050 0.030 0.000 0.847 157 N CB -0.328 38.195 38.487 0.059 0.000 1.030 157 N HN 0.134 nan 8.380 nan 0.000 0.422 158 I N 0.851 121.384 120.570 -0.061 0.000 2.623 158 I HA -0.168 4.004 4.170 0.004 0.000 0.261 158 I C 2.031 178.065 176.117 -0.138 0.000 1.204 158 I CA 0.975 62.213 61.300 -0.105 0.000 1.444 158 I CB -1.746 36.199 38.000 -0.092 0.000 1.094 158 I HN 0.155 nan 8.210 nan 0.000 0.451 159 G N 2.225 110.959 108.800 -0.111 0.000 2.616 159 G HA2 -0.247 3.715 3.960 0.004 0.000 0.215 159 G HA3 -0.247 3.715 3.960 0.004 0.000 0.215 159 G C 1.666 176.489 174.900 -0.128 0.000 1.284 159 G CA 0.790 45.829 45.100 -0.102 0.000 0.823 159 G HN 0.464 nan 8.290 nan 0.000 0.569 160 R N -0.012 120.427 120.500 -0.102 0.000 2.193 160 R HA 0.138 4.481 4.340 0.004 0.000 0.229 160 R C 2.375 178.416 176.300 -0.431 0.000 1.110 160 R CA 1.392 57.423 56.100 -0.115 0.000 0.988 160 R CB -0.548 29.786 30.300 0.057 0.000 0.871 160 R HN 0.425 nan 8.270 nan 0.000 0.458 161 M N 1.942 121.109 119.600 -0.721 0.000 2.082 161 M HA -0.167 4.316 4.480 0.004 0.000 0.258 161 M C 1.933 177.799 176.300 -0.723 0.000 1.069 161 M CA 2.464 56.870 55.300 -1.490 0.000 1.102 161 M CB -0.035 31.872 32.600 -1.155 0.000 1.336 161 M HN 0.236 nan 8.290 nan 0.000 0.404 162 V N -1.175 118.544 119.914 -0.325 0.000 3.380 162 V HA -0.091 4.031 4.120 0.004 0.000 0.268 162 V C 1.974 178.092 176.094 0.040 0.000 1.168 162 V CA 0.812 63.090 62.300 -0.036 0.000 1.156 162 V CB -1.025 30.805 31.823 0.012 0.000 0.785 162 V HN 0.558 nan 8.190 nan 0.000 0.487 163 L N 1.363 122.541 121.223 -0.075 0.000 2.131 163 L HA 0.127 4.470 4.340 0.004 0.000 0.206 163 L C 1.812 178.704 176.870 0.037 0.000 1.087 163 L CA 2.075 56.916 54.840 0.002 0.000 0.767 163 L CB -0.605 41.449 42.059 -0.008 0.000 0.917 163 L HN 0.276 nan 8.230 nan 0.000 0.441 164 D N -0.745 119.629 120.400 -0.043 0.000 2.213 164 D HA -0.004 4.639 4.640 0.004 0.000 0.205 164 D C 2.274 178.596 176.300 0.038 0.000 0.961 164 D CA 1.080 55.110 54.000 0.050 0.000 0.853 164 D CB 0.045 40.955 40.800 0.183 0.000 0.967 164 D HN 0.332 nan 8.370 nan 0.000 0.496 165 I N -0.471 120.082 120.570 -0.028 0.000 2.394 165 I HA -0.188 3.984 4.170 0.004 0.000 0.251 165 I C 0.928 176.905 176.117 -0.233 0.000 1.136 165 I CA 1.001 62.239 61.300 -0.104 0.000 1.425 165 I CB 0.006 37.926 38.000 -0.133 0.000 1.079 165 I HN -0.025 nan 8.210 nan 0.000 0.425 166 F N 0.784 120.726 119.950 -0.012 0.000 2.678 166 F HA 0.217 4.746 4.527 0.004 0.000 0.305 166 F C 0.594 176.399 175.800 0.008 0.000 1.090 166 F CA -0.621 57.381 58.000 0.004 0.000 1.272 166 F CB 0.175 39.181 39.000 0.010 0.000 1.060 166 F HN -0.018 nan 8.300 nan 0.000 0.576 167 R N 0.962 121.546 120.500 0.138 0.000 2.533 167 R HA -0.212 4.130 4.340 0.004 0.000 0.280 167 R C -1.535 174.823 176.300 0.097 0.000 0.989 167 R CA 0.214 56.373 56.100 0.099 0.000 0.864 167 R CB -2.350 27.990 30.300 0.066 0.000 2.274 167 R HN 0.347 nan 8.270 nan 0.000 0.522 168 L N 1.719 122.995 121.223 0.087 0.000 2.334 168 L HA 0.582 4.924 4.340 0.004 0.000 0.272 168 L C 0.313 177.210 176.870 0.044 0.000 1.020 168 L CA -1.322 53.556 54.840 0.063 0.000 0.812 168 L CB 1.708 43.800 42.059 0.054 0.000 1.264 168 L HN 0.388 nan 8.230 nan 0.000 0.439 169 K N 0.360 120.778 120.400 0.031 0.000 2.245 169 K HA 0.870 5.193 4.320 0.004 0.000 0.234 169 K C -0.186 176.417 176.600 0.004 0.000 1.021 169 K CA 0.045 56.344 56.287 0.020 0.000 0.898 169 K CB 1.535 34.046 32.500 0.018 0.000 1.163 169 K HN 0.767 nan 8.250 nan 0.000 0.459 170 G N 0.531 109.327 108.800 -0.006 0.000 2.707 170 G HA2 -0.173 3.790 3.960 0.004 0.000 0.686 170 G HA3 -0.173 3.790 3.960 0.004 0.000 0.686 170 G C -0.517 174.345 174.900 -0.064 0.000 1.315 170 G CA -0.244 44.840 45.100 -0.027 0.000 0.832 170 G HN 0.511 nan 8.290 nan 0.000 0.573 171 D N -0.186 120.145 120.400 -0.114 0.000 2.249 171 D HA 0.111 4.753 4.640 0.004 0.000 0.205 171 D C 1.942 178.096 176.300 -0.242 0.000 0.962 171 D CA 1.237 55.078 54.000 -0.266 0.000 0.860 171 D CB -0.029 40.572 40.800 -0.333 0.000 0.955 171 D HN 0.586 nan 8.370 nan 0.000 0.505 172 E N 1.745 121.878 120.200 -0.112 0.000 2.012 172 E HA -0.194 4.158 4.350 0.004 0.000 0.211 172 E C 1.911 178.496 176.600 -0.024 0.000 1.029 172 E CA 1.927 58.298 56.400 -0.048 0.000 0.867 172 E CB -0.532 29.158 29.700 -0.018 0.000 0.790 172 E HN 0.083 nan 8.360 nan 0.000 0.482 173 A N 0.283 123.095 122.820 -0.014 0.000 2.139 173 A HA -0.230 4.092 4.320 0.004 0.000 0.221 173 A C 2.220 179.811 177.584 0.011 0.000 1.159 173 A CA 1.918 53.956 52.037 0.002 0.000 0.662 173 A CB -0.637 18.367 19.000 0.007 0.000 0.796 173 A HN 0.297 nan 8.150 nan 0.000 0.463 174 R N -1.408 119.093 120.500 0.002 0.000 2.048 174 R HA -0.033 4.309 4.340 0.004 0.000 0.224 174 R C 2.054 178.421 176.300 0.112 0.000 1.163 174 R CA 1.167 57.291 56.100 0.040 0.000 0.956 174 R CB -0.496 29.818 30.300 0.023 0.000 0.849 174 R HN 0.728 nan 8.270 nan 0.000 0.435 175 H N -0.688 118.376 119.070 -0.011 0.000 2.353 175 H HA -0.135 4.423 4.556 0.004 0.000 0.298 175 H C 1.866 177.170 175.328 -0.040 0.000 1.103 175 H CA 1.610 57.642 56.048 -0.028 0.000 1.293 175 H CB 0.088 29.828 29.762 -0.036 0.000 1.372 175 H HN 0.304 nan 8.280 nan 0.000 0.501 176 T N 1.454 116.067 114.554 0.098 0.000 2.564 176 T HA -0.124 4.228 4.350 0.004 0.000 0.259 176 T C 2.072 176.776 174.700 0.006 0.000 1.087 176 T CA 0.673 62.792 62.100 0.032 0.000 1.184 176 T CB -0.339 68.540 68.868 0.020 0.000 0.864 176 T HN 0.154 nan 8.240 nan 0.000 0.403 177 L N 0.893 122.117 121.223 0.002 0.000 2.456 177 L HA -0.113 4.230 4.340 0.004 0.000 0.225 177 L C 2.209 179.061 176.870 -0.030 0.000 1.142 177 L CA 1.182 56.010 54.840 -0.020 0.000 0.796 177 L CB -1.003 41.044 42.059 -0.020 0.000 0.920 177 L HN 0.267 nan 8.230 nan 0.000 0.446 178 L N -0.326 120.889 121.223 -0.015 0.000 2.116 178 L HA 0.063 4.406 4.340 0.004 0.000 0.200 178 L C 2.646 179.481 176.870 -0.058 0.000 1.084 178 L CA 1.816 56.638 54.840 -0.030 0.000 0.766 178 L CB -0.747 41.306 42.059 -0.010 0.000 0.930 178 L HN 0.088 nan 8.230 nan 0.000 0.453 179 A N -0.717 122.067 122.820 -0.061 0.000 1.903 179 A HA -0.352 3.970 4.320 0.004 0.000 0.219 179 A C 2.401 179.938 177.584 -0.078 0.000 1.191 179 A CA 3.268 55.254 52.037 -0.085 0.000 0.638 179 A CB -1.681 17.270 19.000 -0.081 0.000 0.823 179 A HN 0.667 nan 8.150 nan 0.000 0.451 180 T N -2.433 112.085 114.554 -0.060 0.000 2.708 180 T HA -0.009 4.343 4.350 0.004 0.000 0.266 180 T C 1.951 176.604 174.700 -0.079 0.000 1.037 180 T CA 1.975 64.038 62.100 -0.063 0.000 1.146 180 T CB -1.157 67.681 68.868 -0.050 0.000 0.865 180 T HN 0.586 nan 8.240 nan 0.000 0.435 181 G N 1.074 109.826 108.800 -0.080 0.000 2.475 181 G HA2 -0.004 3.959 3.960 0.004 0.000 0.220 181 G HA3 -0.004 3.959 3.960 0.004 0.000 0.220 181 G C 1.882 176.719 174.900 -0.105 0.000 1.125 181 G CA 1.072 46.117 45.100 -0.093 0.000 0.755 181 G HN 0.827 nan 8.290 nan 0.000 0.565 182 A N 0.962 123.721 122.820 -0.102 0.000 1.874 182 A HA 0.439 4.761 4.320 0.004 0.000 0.214 182 A C 2.829 180.359 177.584 -0.091 0.000 1.189 182 A CA 1.956 53.928 52.037 -0.108 0.000 0.615 182 A CB -0.816 18.113 19.000 -0.118 0.000 0.830 182 A HN 0.728 nan 8.150 nan 0.000 0.443 183 A N 0.172 122.944 122.820 -0.079 0.000 1.858 183 A HA 0.123 4.445 4.320 0.004 0.000 0.216 183 A C 2.508 180.031 177.584 -0.101 0.000 1.190 183 A CA 2.289 54.286 52.037 -0.067 0.000 0.617 183 A CB -1.227 17.726 19.000 -0.079 0.000 0.827 183 A HN 1.174 nan 8.150 nan 0.000 0.443 184 A N -0.602 122.155 122.820 -0.105 0.000 2.084 184 A HA 0.080 4.403 4.320 0.004 0.000 0.221 184 A C 2.254 179.757 177.584 -0.134 0.000 1.161 184 A CA 2.040 54.011 52.037 -0.111 0.000 0.653 184 A CB -1.288 17.653 19.000 -0.098 0.000 0.802 184 A HN 0.728 nan 8.150 nan 0.000 0.457 185 G N -0.078 108.634 108.800 -0.147 0.000 2.556 185 G HA2 -0.089 3.873 3.960 0.004 0.000 0.215 185 G HA3 -0.089 3.873 3.960 0.004 0.000 0.215 185 G C 1.428 176.183 174.900 -0.241 0.000 1.258 185 G CA 0.950 45.938 45.100 -0.187 0.000 0.811 185 G HN 0.544 nan 8.290 nan 0.000 0.557 186 L N 1.596 122.667 121.223 -0.254 0.000 2.089 186 L HA -0.065 4.277 4.340 0.004 0.000 0.213 186 L C 3.048 179.692 176.870 -0.376 0.000 1.079 186 L CA 2.342 56.948 54.840 -0.390 0.000 0.758 186 L CB -0.676 41.190 42.059 -0.323 0.000 0.891 186 L HN 0.285 nan 8.230 nan 0.000 0.433 187 A N -0.560 122.122 122.820 -0.229 0.000 1.858 187 A HA -0.110 4.213 4.320 0.004 0.000 0.216 187 A C 2.373 179.830 177.584 -0.212 0.000 1.190 187 A CA 1.916 53.845 52.037 -0.180 0.000 0.617 187 A CB -1.216 17.703 19.000 -0.136 0.000 0.827 187 A HN 0.575 nan 8.150 nan 0.000 0.443 188 A N -0.838 121.859 122.820 -0.205 0.000 2.167 188 A HA 0.402 4.725 4.320 0.004 0.000 0.214 188 A C 2.212 179.634 177.584 -0.269 0.000 1.151 188 A CA 1.379 53.292 52.037 -0.205 0.000 0.735 188 A CB -0.610 18.336 19.000 -0.090 0.000 0.802 188 A HN 0.942 nan 8.150 nan 0.000 0.467 189 A N -1.399 121.237 122.820 -0.307 0.000 2.016 189 A HA 0.243 4.565 4.320 0.004 0.000 0.217 189 A C 1.504 179.034 177.584 -0.090 0.000 1.162 189 A CA 0.975 52.840 52.037 -0.286 0.000 0.662 189 A CB -0.365 18.314 19.000 -0.536 0.000 0.812 189 A HN 0.571 nan 8.150 nan 0.000 0.450 190 F N -2.454 117.381 119.950 -0.191 0.000 2.798 190 F HA 0.184 4.713 4.527 0.004 0.000 0.328 190 F C 0.807 176.405 175.800 -0.337 0.000 1.098 190 F CA -0.016 57.865 58.000 -0.199 0.000 1.172 190 F CB 0.419 39.365 39.000 -0.090 0.000 1.072 190 F HN 0.294 nan 8.300 nan 0.000 0.555 191 N N 2.143 120.632 118.700 -0.352 0.000 2.740 191 N HA -0.234 4.508 4.740 0.004 0.000 0.248 191 N C -0.710 174.729 175.510 -0.118 0.000 1.062 191 N CA 0.693 53.505 53.050 -0.396 0.000 0.704 191 N CB -0.893 37.303 38.487 -0.484 0.000 0.968 191 N HN 0.332 nan 8.380 nan 0.000 0.547 192 A N 0.222 123.007 122.820 -0.059 0.000 3.064 192 A HA 0.478 4.800 4.320 0.004 0.000 0.339 192 A C -0.893 176.665 177.584 -0.044 0.000 1.078 192 A CA -0.722 51.309 52.037 -0.010 0.000 0.869 192 A CB 0.844 19.895 19.000 0.085 0.000 1.067 192 A HN 0.297 nan 8.150 nan 0.000 0.480 193 P HA -0.236 nan 4.420 nan 0.000 0.215 193 P C 1.524 178.745 177.300 -0.131 0.000 1.157 193 P CA 1.109 64.147 63.100 -0.103 0.000 0.874 193 P CB 0.163 31.812 31.700 -0.086 0.000 0.790 194 L N -0.883 120.284 121.223 -0.093 0.000 2.083 194 L HA -0.119 4.223 4.340 0.004 0.000 0.209 194 L C 2.823 179.662 176.870 -0.051 0.000 1.083 194 L CA 1.613 56.400 54.840 -0.089 0.000 0.752 194 L CB -1.111 40.926 42.059 -0.038 0.000 0.899 194 L HN -0.021 nan 8.230 nan 0.000 0.433 195 A N 0.213 123.023 122.820 -0.016 0.000 1.929 195 A HA -0.027 4.295 4.320 0.004 0.000 0.216 195 A C 2.391 179.991 177.584 0.026 0.000 1.176 195 A CA 1.333 53.387 52.037 0.028 0.000 0.628 195 A CB -0.969 18.072 19.000 0.068 0.000 0.816 195 A HN 0.415 nan 8.150 nan 0.000 0.444 196 G N 0.465 109.249 108.800 -0.027 0.000 2.459 196 G HA2 -0.223 3.740 3.960 0.004 0.000 0.217 196 G HA3 -0.223 3.740 3.960 0.004 0.000 0.217 196 G C 1.528 176.425 174.900 -0.005 0.000 1.183 196 G CA 1.247 46.324 45.100 -0.038 0.000 0.776 196 G HN 0.466 nan 8.290 nan 0.000 0.552 197 I N 0.446 120.959 120.570 -0.094 0.000 2.090 197 I HA -0.123 4.050 4.170 0.004 0.000 0.236 197 I C 2.650 178.756 176.117 -0.018 0.000 1.064 197 I CA 0.769 61.994 61.300 -0.125 0.000 1.324 197 I CB -0.423 37.386 38.000 -0.317 0.000 1.044 197 I HN 0.063 nan 8.210 nan 0.000 0.399 198 L N -0.036 121.192 121.223 0.008 0.000 2.456 198 L HA -0.259 4.084 4.340 0.004 0.000 0.225 198 L C 2.445 179.400 176.870 0.142 0.000 1.142 198 L CA 1.089 55.966 54.840 0.062 0.000 0.796 198 L CB -0.553 41.545 42.059 0.066 0.000 0.920 198 L HN 0.291 nan 8.230 nan 0.000 0.446 199 F N 0.693 120.618 119.950 -0.041 0.000 2.149 199 F HA -0.075 4.455 4.527 0.004 0.000 0.294 199 F C 2.094 177.858 175.800 -0.059 0.000 1.095 199 F CA 0.899 58.876 58.000 -0.038 0.000 1.276 199 F CB -0.018 38.942 39.000 -0.067 0.000 1.023 199 F HN -0.111 nan 8.300 nan 0.000 0.480 200 I N 2.500 123.009 120.570 -0.103 0.000 3.454 200 I HA -0.088 4.084 4.170 0.004 0.000 0.297 200 I C 1.161 177.181 176.117 -0.162 0.000 1.298 200 I CA 1.088 62.259 61.300 -0.214 0.000 1.297 200 I CB -2.008 35.918 38.000 -0.123 0.000 1.017 200 I HN 0.395 nan 8.210 nan 0.000 0.528 201 I N -3.111 117.390 120.570 -0.114 0.000 3.809 201 I HA 0.322 4.495 4.170 0.004 0.000 0.325 201 I C 0.709 176.789 176.117 -0.061 0.000 1.447 201 I CA -0.002 61.249 61.300 -0.081 0.000 1.027 201 I CB 0.271 38.250 38.000 -0.035 0.000 1.567 201 I HN 0.025 nan 8.210 nan 0.000 0.616 202 E N 0.700 120.856 120.200 -0.073 0.000 2.617 202 E HA 0.050 4.403 4.350 0.004 0.000 0.208 202 E C 0.909 177.471 176.600 -0.063 0.000 0.888 202 E CA 0.311 56.691 56.400 -0.033 0.000 1.485 202 E CB 0.866 30.590 29.700 0.041 0.000 1.482 202 E HN 0.434 nan 8.360 nan 0.000 0.813 203 E N -0.315 119.782 120.200 -0.172 0.000 3.034 203 E HA 0.181 4.534 4.350 0.004 0.000 0.237 203 E C 1.552 177.944 176.600 -0.346 0.000 1.117 203 E CA 0.387 56.645 56.400 -0.237 0.000 0.969 203 E CB -0.202 29.311 29.700 -0.311 0.000 2.998 203 E HN -0.031 nan 8.360 nan 0.000 0.581 204 M N 1.326 120.539 119.600 -0.645 0.000 3.948 204 M HA -0.278 4.204 4.480 0.004 0.000 0.286 204 M C 0.923 177.049 176.300 -0.290 0.000 0.972 204 M CA 2.164 57.163 55.300 -0.501 0.000 1.017 204 M CB -2.367 29.892 32.600 -0.568 0.000 1.295 204 M HN 0.379 nan 8.290 nan 0.000 0.629 205 R N 2.575 122.919 120.500 -0.260 0.000 2.598 205 R HA -0.005 4.338 4.340 0.004 0.000 0.266 205 R C -2.390 173.819 176.300 -0.151 0.000 0.977 205 R CA -0.418 55.563 56.100 -0.198 0.000 1.097 205 R CB -1.398 28.798 30.300 -0.173 0.000 0.911 205 R HN 0.280 nan 8.270 nan 0.000 0.419 206 P HA -0.095 nan 4.420 nan 0.000 0.263 206 P C -0.699 176.577 177.300 -0.040 0.000 1.195 206 P CA 0.352 63.422 63.100 -0.050 0.000 0.762 206 P CB 0.795 32.457 31.700 -0.062 0.000 0.799 207 Q N 1.382 121.168 119.800 -0.023 0.000 2.282 207 Q HA 0.138 4.481 4.340 0.004 0.000 0.206 207 Q C 0.269 176.033 176.000 -0.394 0.000 0.878 207 Q CA 0.554 56.207 55.803 -0.249 0.000 0.944 207 Q CB 0.043 28.514 28.738 -0.445 0.000 1.100 207 Q HN 0.520 nan 8.270 nan 0.000 0.509 208 F N 0.879 120.831 119.950 0.004 0.000 2.654 208 F HA 0.259 4.789 4.527 0.005 0.000 0.303 208 F C 0.276 176.098 175.800 0.037 0.000 1.099 208 F CA -0.343 57.669 58.000 0.020 0.000 1.270 208 F CB 0.670 39.681 39.000 0.018 0.000 1.024 208 F HN -0.107 nan 8.300 nan 0.000 0.548 209 R N -1.799 118.803 120.500 0.170 0.000 2.633 209 R HA 0.207 4.550 4.340 0.004 0.000 0.255 209 R C -1.225 175.172 176.300 0.161 0.000 1.106 209 R CA -0.995 55.203 56.100 0.163 0.000 0.959 209 R CB 0.174 30.572 30.300 0.163 0.000 1.259 209 R HN -0.049 nan 8.270 nan 0.000 0.453 210 Y N 2.414 122.741 120.300 0.044 0.000 3.142 210 Y HA -0.122 4.431 4.550 0.004 0.000 0.347 210 Y C -0.375 175.558 175.900 0.054 0.000 1.269 210 Y CA 1.719 59.841 58.100 0.037 0.000 1.560 210 Y CB 0.580 39.060 38.460 0.034 0.000 1.220 210 Y HN 0.769 nan 8.280 nan 0.000 0.626 211 T N 6.051 120.322 114.554 -0.471 0.000 2.922 211 T HA 0.503 4.856 4.350 0.004 0.000 0.281 211 T C -0.125 174.314 174.700 -0.434 0.000 1.005 211 T CA -0.765 61.156 62.100 -0.298 0.000 0.982 211 T CB 1.076 69.808 68.868 -0.228 0.000 1.158 211 T HN 0.470 nan 8.240 nan 0.000 0.566 212 L N 0.191 121.354 121.223 -0.099 0.000 3.366 212 L HA 0.449 4.791 4.340 0.004 0.000 0.304 212 L C -0.351 176.508 176.870 -0.019 0.000 1.292 212 L CA 0.112 54.912 54.840 -0.067 0.000 1.012 212 L CB -0.367 41.694 42.059 0.003 0.000 1.414 212 L HN 0.470 nan 8.230 nan 0.000 0.603 213 I N -0.477 120.064 120.570 -0.047 0.000 2.428 213 I HA 0.190 4.363 4.170 0.004 0.000 0.289 213 I C 0.738 176.838 176.117 -0.029 0.000 1.019 213 I CA -0.079 61.209 61.300 -0.020 0.000 1.351 213 I CB 1.469 39.443 38.000 -0.044 0.000 1.412 213 I HN 0.047 nan 8.210 nan 0.000 0.513 214 S N 6.166 121.864 115.700 -0.003 0.000 2.415 214 S HA 0.341 4.814 4.470 0.004 0.000 0.313 214 S C 1.310 175.928 174.600 0.030 0.000 1.067 214 S CA -0.589 57.616 58.200 0.008 0.000 1.099 214 S CB 0.056 63.263 63.200 0.012 0.000 0.991 214 S HN 0.546 nan 8.310 nan 0.000 0.491 215 I N 4.328 124.923 120.570 0.041 0.000 2.093 215 I HA -0.319 3.853 4.170 0.004 0.000 0.239 215 I C 2.627 178.850 176.117 0.176 0.000 1.026 215 I CA 1.684 63.051 61.300 0.111 0.000 1.295 215 I CB -0.256 37.812 38.000 0.113 0.000 1.007 215 I HN 0.653 nan 8.210 nan 0.000 0.401 216 K N 0.709 121.155 120.400 0.077 0.000 2.228 216 K HA -0.243 4.080 4.320 0.004 0.000 0.205 216 K C 1.966 178.625 176.600 0.098 0.000 1.045 216 K CA 1.541 57.853 56.287 0.041 0.000 0.931 216 K CB -0.068 32.406 32.500 -0.044 0.000 0.727 216 K HN 0.428 nan 8.250 nan 0.000 0.458 217 A N 0.186 123.049 122.820 0.072 0.000 1.930 217 A HA -0.044 4.279 4.320 0.004 0.000 0.215 217 A C 2.148 179.766 177.584 0.057 0.000 1.176 217 A CA 1.120 53.186 52.037 0.047 0.000 0.632 217 A CB -0.324 18.689 19.000 0.022 0.000 0.819 217 A HN 0.138 nan 8.150 nan 0.000 0.445 218 V N -0.998 118.961 119.914 0.075 0.000 2.261 218 V HA -0.250 3.873 4.120 0.004 0.000 0.246 218 V C 2.236 178.357 176.094 0.045 0.000 1.047 218 V CA 2.111 64.432 62.300 0.034 0.000 1.015 218 V CB -1.085 30.751 31.823 0.021 0.000 0.642 218 V HN 0.517 nan 8.190 nan 0.000 0.446 219 F N 0.216 120.148 119.950 -0.029 0.000 2.032 219 F HA -0.278 4.252 4.527 0.004 0.000 0.297 219 F C 2.295 178.076 175.800 -0.032 0.000 1.125 219 F CA 2.348 60.333 58.000 -0.025 0.000 1.202 219 F CB -0.630 38.357 39.000 -0.020 0.000 0.958 219 F HN 0.028 nan 8.300 nan 0.000 0.491 220 I N -0.451 120.234 120.570 0.192 0.000 2.236 220 I HA -0.336 3.836 4.170 0.004 0.000 0.249 220 I C 2.623 178.743 176.117 0.005 0.000 1.102 220 I CA 1.450 62.794 61.300 0.073 0.000 1.365 220 I CB -1.394 36.625 38.000 0.031 0.000 1.051 220 I HN 0.297 nan 8.210 nan 0.000 0.420 221 G N 0.764 109.557 108.800 -0.012 0.000 2.464 221 G HA2 -0.183 3.779 3.960 0.004 0.000 0.214 221 G HA3 -0.183 3.779 3.960 0.004 0.000 0.214 221 G C 1.690 176.554 174.900 -0.059 0.000 1.218 221 G CA 0.892 45.962 45.100 -0.050 0.000 0.794 221 G HN 0.219 nan 8.290 nan 0.000 0.542 222 V N 1.530 121.396 119.914 -0.080 0.000 2.313 222 V HA -0.279 3.844 4.120 0.004 0.000 0.253 222 V C 2.827 178.877 176.094 -0.073 0.000 1.070 222 V CA 1.972 64.208 62.300 -0.107 0.000 1.057 222 V CB -0.492 31.216 31.823 -0.191 0.000 0.653 222 V HN 0.422 nan 8.190 nan 0.000 0.450 223 I N -1.146 119.398 120.570 -0.044 0.000 2.113 223 I HA -0.274 3.899 4.170 0.004 0.000 0.238 223 I C 2.608 178.724 176.117 -0.003 0.000 1.070 223 I CA 1.538 62.833 61.300 -0.009 0.000 1.332 223 I CB -0.511 37.505 38.000 0.027 0.000 1.044 223 I HN 0.257 nan 8.210 nan 0.000 0.402 224 M N 0.273 119.865 119.600 -0.014 0.000 2.144 224 M HA -0.218 4.264 4.480 0.004 0.000 0.260 224 M C 2.561 178.859 176.300 -0.003 0.000 1.067 224 M CA 1.687 56.977 55.300 -0.017 0.000 1.095 224 M CB -1.553 31.017 32.600 -0.049 0.000 1.365 224 M HN 0.280 nan 8.290 nan 0.000 0.406 225 S N -0.358 115.331 115.700 -0.018 0.000 2.345 225 S HA -0.114 4.359 4.470 0.004 0.000 0.220 225 S C 1.946 176.567 174.600 0.035 0.000 1.031 225 S CA 1.935 60.127 58.200 -0.013 0.000 0.996 225 S CB -0.177 62.992 63.200 -0.052 0.000 0.882 225 S HN 0.502 nan 8.310 nan 0.000 0.445 226 T N 2.612 117.180 114.554 0.024 0.000 2.788 226 T HA 0.024 4.377 4.350 0.004 0.000 0.268 226 T C 1.691 176.469 174.700 0.130 0.000 1.044 226 T CA 1.502 63.643 62.100 0.068 0.000 1.139 226 T CB -0.377 68.504 68.868 0.022 0.000 0.867 226 T HN 0.419 nan 8.240 nan 0.000 0.454 227 I N 0.628 121.250 120.570 0.087 0.000 2.286 227 I HA -0.167 4.006 4.170 0.004 0.000 0.248 227 I C 2.467 178.662 176.117 0.130 0.000 1.115 227 I CA 0.898 62.252 61.300 0.090 0.000 1.392 227 I CB -0.379 37.653 38.000 0.053 0.000 1.065 227 I HN 0.217 nan 8.210 nan 0.000 0.418 228 M N -0.133 119.550 119.600 0.139 0.000 2.086 228 M HA -0.250 4.233 4.480 0.004 0.000 0.261 228 M C 2.498 178.967 176.300 0.281 0.000 1.067 228 M CA 1.918 57.341 55.300 0.205 0.000 1.116 228 M CB -1.454 31.220 32.600 0.123 0.000 1.348 228 M HN 0.236 nan 8.290 nan 0.000 0.407 229 Y N 1.394 121.755 120.300 0.102 0.000 2.165 229 Y HA -0.235 4.317 4.550 0.004 0.000 0.286 229 Y C 2.439 178.429 175.900 0.151 0.000 1.155 229 Y CA 1.831 59.995 58.100 0.106 0.000 1.164 229 Y CB -0.144 38.347 38.460 0.052 0.000 0.978 229 Y HN 0.104 nan 8.280 nan 0.000 0.513 230 R N -0.024 120.567 120.500 0.151 0.000 2.092 230 R HA -0.125 4.217 4.340 0.004 0.000 0.231 230 R C 2.164 178.477 176.300 0.021 0.000 1.119 230 R CA 1.229 57.361 56.100 0.053 0.000 0.970 230 R CB -0.770 29.594 30.300 0.106 0.000 0.864 230 R HN 0.410 nan 8.270 nan 0.000 0.440 231 I N 0.239 120.848 120.570 0.065 0.000 2.194 231 I HA -0.269 3.904 4.170 0.004 0.000 0.246 231 I C 1.950 177.923 176.117 -0.241 0.000 1.093 231 I CA 1.643 62.902 61.300 -0.068 0.000 1.355 231 I CB -0.813 37.163 38.000 -0.040 0.000 1.046 231 I HN -0.013 nan 8.210 nan 0.000 0.413 232 F N 0.501 120.389 119.950 -0.105 0.000 2.298 232 F HA 0.123 4.653 4.527 0.004 0.000 0.282 232 F C 1.354 177.064 175.800 -0.149 0.000 1.045 232 F CA 0.187 58.120 58.000 -0.112 0.000 1.280 232 F CB -0.718 38.223 39.000 -0.098 0.000 1.114 232 F HN -0.015 nan 8.300 nan 0.000 0.546 233 N N 1.248 119.874 118.700 -0.125 0.000 3.050 233 N HA -0.033 4.709 4.740 0.004 0.000 0.289 233 N C -0.607 174.802 175.510 -0.169 0.000 1.209 233 N CA 0.067 52.970 53.050 -0.246 0.000 1.154 233 N CB -0.794 37.330 38.487 -0.606 0.000 1.444 233 N HN 0.265 nan 8.380 nan 0.000 0.529 234 H N 1.525 120.516 119.070 -0.133 0.000 2.897 234 H HA -0.023 4.536 4.556 0.004 0.000 0.347 234 H C 0.282 175.575 175.328 -0.059 0.000 1.068 234 H CA 0.464 56.458 56.048 -0.090 0.000 1.426 234 H CB 0.565 30.281 29.762 -0.077 0.000 1.410 234 H HN 0.334 nan 8.280 nan 0.000 0.597 235 E N 1.722 121.579 120.200 -0.571 0.000 2.246 235 E HA -0.137 4.216 4.350 0.004 0.000 0.173 235 E C -1.730 174.766 176.600 -0.174 0.000 1.532 235 E CA 0.944 57.094 56.400 -0.416 0.000 0.672 235 E CB -1.411 27.986 29.700 -0.506 0.000 1.078 235 E HN 0.377 nan 8.360 nan 0.000 0.338 236 V N 0.153 120.010 119.914 -0.096 0.000 3.049 236 V HA 0.943 5.066 4.120 0.004 0.000 0.309 236 V C -0.271 175.836 176.094 0.021 0.000 1.148 236 V CA -0.515 61.769 62.300 -0.027 0.000 0.990 236 V CB 2.265 34.086 31.823 -0.002 0.000 1.039 236 V HN 0.576 nan 8.190 nan 0.000 0.430 237 A N 2.347 125.167 122.820 0.000 0.000 2.408 237 A HA 0.757 5.079 4.320 0.004 0.000 0.295 237 A C 0.175 177.714 177.584 -0.075 0.000 1.040 237 A CA -0.508 51.514 52.037 -0.025 0.000 0.707 237 A CB 1.347 20.315 19.000 -0.052 0.000 1.235 237 A HN 0.788 nan 8.150 nan 0.000 0.418 238 L N 1.856 122.995 121.223 -0.140 0.000 2.056 238 L HA 0.029 4.372 4.340 0.004 0.000 0.207 238 L C 0.241 176.873 176.870 -0.397 0.000 1.078 238 L CA 1.397 56.049 54.840 -0.314 0.000 0.749 238 L CB -0.399 41.348 42.059 -0.520 0.000 0.901 238 L HN 0.595 nan 8.230 nan 0.000 0.433 239 I N -0.632 119.735 120.570 -0.339 0.000 2.509 239 I HA 0.287 4.460 4.170 0.004 0.000 0.293 239 I C -0.977 175.047 176.117 -0.155 0.000 1.020 239 I CA -0.489 60.656 61.300 -0.258 0.000 1.088 239 I CB 2.284 40.120 38.000 -0.273 0.000 1.267 239 I HN -0.103 nan 8.210 nan 0.000 0.430 240 D N 6.262 126.597 120.400 -0.108 0.000 2.476 240 D HA 0.419 5.061 4.640 0.004 0.000 0.251 240 D C -1.408 174.853 176.300 -0.065 0.000 1.291 240 D CA -0.135 53.817 54.000 -0.080 0.000 0.939 240 D CB 1.989 42.750 40.800 -0.065 0.000 1.221 240 D HN 0.177 nan 8.370 nan 0.000 0.567 241 V N 2.194 122.071 119.914 -0.063 0.000 2.715 241 V HA 0.701 4.823 4.120 0.004 0.000 0.310 241 V C 1.520 177.586 176.094 -0.047 0.000 1.054 241 V CA -0.636 61.632 62.300 -0.052 0.000 0.928 241 V CB 1.617 33.408 31.823 -0.053 0.000 1.007 241 V HN 0.512 nan 8.190 nan 0.000 0.437 242 G N 2.817 111.593 108.800 -0.039 0.000 2.679 242 G HA2 0.211 4.173 3.960 0.004 0.000 0.158 242 G HA3 0.211 4.173 3.960 0.004 0.000 0.158 242 G C -0.032 174.847 174.900 -0.035 0.000 1.702 242 G CA 0.169 45.248 45.100 -0.035 0.000 1.041 242 G HN 0.818 nan 8.290 nan 0.000 0.507 243 K N -0.698 119.684 120.400 -0.030 0.000 2.221 243 K HA 0.697 5.020 4.320 0.004 0.000 0.258 243 K C -1.017 175.566 176.600 -0.029 0.000 0.944 243 K CA -0.719 55.550 56.287 -0.031 0.000 0.823 243 K CB 1.821 34.306 32.500 -0.025 0.000 1.113 243 K HN 0.180 nan 8.250 nan 0.000 0.431 244 L N 0.628 121.830 121.223 -0.035 0.000 2.347 244 L HA 0.502 4.845 4.340 0.004 0.000 0.268 244 L C 0.326 177.180 176.870 -0.027 0.000 1.019 244 L CA -0.661 54.163 54.840 -0.027 0.000 0.806 244 L CB 1.144 43.187 42.059 -0.028 0.000 1.339 244 L HN 0.790 nan 8.230 nan 0.000 0.463 245 S N -0.468 115.225 115.700 -0.012 0.000 2.592 245 S HA 0.049 4.522 4.470 0.004 0.000 0.256 245 S C -0.384 174.194 174.600 -0.038 0.000 1.369 245 S CA -0.455 57.739 58.200 -0.010 0.000 0.984 245 S CB 0.035 63.248 63.200 0.021 0.000 0.919 245 S HN 0.486 nan 8.310 nan 0.000 0.576 246 D N 0.179 120.557 120.400 -0.038 0.000 2.432 246 D HA 0.518 5.161 4.640 0.004 0.000 0.258 246 D C -0.457 175.791 176.300 -0.085 0.000 1.146 246 D CA -0.328 53.631 54.000 -0.068 0.000 1.015 246 D CB 1.020 41.789 40.800 -0.051 0.000 1.107 246 D HN 0.521 nan 8.370 nan 0.000 0.529 247 A N 1.639 124.377 122.820 -0.137 0.000 2.536 247 A HA 0.416 4.738 4.320 0.004 0.000 0.329 247 A C -2.288 175.212 177.584 -0.139 0.000 1.321 247 A CA -1.154 50.784 52.037 -0.166 0.000 0.804 247 A CB 0.389 19.186 19.000 -0.339 0.000 1.126 247 A HN 0.265 nan 8.150 nan 0.000 0.480 248 P HA 0.036 nan 4.420 nan 0.000 0.270 248 P C 0.882 178.129 177.300 -0.089 0.000 1.223 248 P CA -0.433 62.621 63.100 -0.077 0.000 0.785 248 P CB 0.804 32.472 31.700 -0.054 0.000 0.923 249 L N 2.074 123.263 121.223 -0.056 0.000 2.013 249 L HA -0.221 4.121 4.340 0.004 0.000 0.212 249 L C 1.926 178.791 176.870 -0.008 0.000 1.073 249 L CA 2.708 57.531 54.840 -0.029 0.000 0.753 249 L CB -2.137 39.919 42.059 -0.005 0.000 0.890 249 L HN 0.587 nan 8.230 nan 0.000 0.432 250 N N -1.719 116.961 118.700 -0.033 0.000 2.680 250 N HA -0.122 4.621 4.740 0.004 0.000 0.197 250 N C 0.967 176.325 175.510 -0.253 0.000 1.288 250 N CA 1.021 54.053 53.050 -0.030 0.000 0.924 250 N CB -0.206 38.273 38.487 -0.014 0.000 1.025 250 N HN 0.178 nan 8.380 nan 0.000 0.447 251 T N -0.774 113.635 114.554 -0.241 0.000 2.964 251 T HA 0.244 4.596 4.350 0.004 0.000 0.250 251 T C 1.484 176.066 174.700 -0.197 0.000 0.982 251 T CA -0.377 61.485 62.100 -0.396 0.000 0.959 251 T CB 0.117 68.829 68.868 -0.261 0.000 1.141 251 T HN 0.070 nan 8.240 nan 0.000 0.494 252 L N 1.867 123.092 121.223 0.002 0.000 2.030 252 L HA -0.228 4.115 4.340 0.004 0.000 0.222 252 L C 2.884 179.846 176.870 0.153 0.000 1.082 252 L CA 2.266 57.169 54.840 0.105 0.000 0.785 252 L CB -0.832 41.256 42.059 0.049 0.000 0.895 252 L HN 0.578 nan 8.230 nan 0.000 0.439 253 W N 0.383 121.721 121.300 0.064 0.000 2.305 253 W HA -0.263 4.400 4.660 0.004 0.000 0.308 253 W C 1.978 178.545 176.519 0.079 0.000 1.226 253 W CA 0.984 58.367 57.345 0.063 0.000 1.253 253 W CB -1.521 27.967 29.460 0.047 0.000 1.146 253 W HN 0.181 nan 8.180 nan 0.000 0.507 254 L N 0.089 120.838 121.223 -0.790 0.000 2.089 254 L HA -0.299 4.043 4.340 0.004 0.000 0.213 254 L C 2.685 179.396 176.870 -0.265 0.000 1.079 254 L CA 2.030 56.460 54.840 -0.684 0.000 0.758 254 L CB -0.970 40.617 42.059 -0.787 0.000 0.891 254 L HN -0.069 nan 8.230 nan 0.000 0.433 255 Y N -1.533 118.693 120.300 -0.123 0.000 2.509 255 Y HA -0.174 4.378 4.550 0.004 0.000 0.293 255 Y C 2.050 177.861 175.900 -0.149 0.000 1.133 255 Y CA 0.406 58.401 58.100 -0.175 0.000 1.283 255 Y CB -0.160 38.144 38.460 -0.260 0.000 1.001 255 Y HN 0.101 nan 8.280 nan 0.000 0.555 256 L N -0.242 121.020 121.223 0.064 0.000 2.023 256 L HA -0.143 4.199 4.340 0.004 0.000 0.205 256 L C 2.090 178.983 176.870 0.037 0.000 1.073 256 L CA 1.409 56.291 54.840 0.070 0.000 0.745 256 L CB -0.774 41.371 42.059 0.143 0.000 0.900 256 L HN 0.055 nan 8.230 nan 0.000 0.435 257 I N -0.242 120.377 120.570 0.082 0.000 2.113 257 I HA -0.353 3.820 4.170 0.004 0.000 0.242 257 I C 2.604 178.664 176.117 -0.094 0.000 1.057 257 I CA 1.855 63.215 61.300 0.099 0.000 1.314 257 I CB -1.537 36.621 38.000 0.263 0.000 1.022 257 I HN 0.373 nan 8.210 nan 0.000 0.408 258 L N 1.407 122.344 121.223 -0.476 0.000 2.042 258 L HA -0.105 4.238 4.340 0.004 0.000 0.210 258 L C 2.448 179.246 176.870 -0.122 0.000 1.076 258 L CA 2.302 56.748 54.840 -0.658 0.000 0.749 258 L CB -1.161 40.295 42.059 -1.004 0.000 0.893 258 L HN 0.241 nan 8.230 nan 0.000 0.432 259 G N -0.329 108.420 108.800 -0.085 0.000 2.418 259 G HA2 -0.256 3.706 3.960 0.004 0.000 0.217 259 G HA3 -0.256 3.706 3.960 0.004 0.000 0.217 259 G C 1.630 176.568 174.900 0.063 0.000 1.158 259 G CA 1.165 46.263 45.100 -0.004 0.000 0.771 259 G HN 0.483 nan 8.290 nan 0.000 0.545 260 I N 0.633 121.230 120.570 0.046 0.000 2.127 260 I HA -0.181 3.991 4.170 0.004 0.000 0.241 260 I C 2.704 178.867 176.117 0.077 0.000 1.075 260 I CA 0.975 62.315 61.300 0.067 0.000 1.334 260 I CB -0.234 37.818 38.000 0.085 0.000 1.040 260 I HN 0.159 nan 8.210 nan 0.000 0.405 261 I N -0.079 120.528 120.570 0.062 0.000 2.163 261 I HA -0.324 3.848 4.170 0.004 0.000 0.243 261 I C 2.392 178.512 176.117 0.006 0.000 1.085 261 I CA 1.708 63.025 61.300 0.028 0.000 1.347 261 I CB -0.457 37.530 38.000 -0.020 0.000 1.044 261 I HN 0.090 nan 8.210 nan 0.000 0.408 262 F N 1.173 121.102 119.950 -0.035 0.000 2.269 262 F HA -0.102 4.427 4.527 0.004 0.000 0.301 262 F C 2.433 178.258 175.800 0.042 0.000 1.082 262 F CA 1.440 59.439 58.000 -0.002 0.000 1.360 262 F CB -0.803 38.156 39.000 -0.068 0.000 1.041 262 F HN 0.013 nan 8.300 nan 0.000 0.512 263 G N 0.833 109.733 108.800 0.167 0.000 2.434 263 G HA2 -0.235 3.727 3.960 0.004 0.000 0.214 263 G HA3 -0.235 3.727 3.960 0.004 0.000 0.214 263 G C 1.728 176.663 174.900 0.057 0.000 1.202 263 G CA 1.022 46.170 45.100 0.079 0.000 0.788 263 G HN 0.499 nan 8.290 nan 0.000 0.539 264 I N -2.463 118.146 120.570 0.066 0.000 2.286 264 I HA 0.013 4.186 4.170 0.004 0.000 0.248 264 I C 2.491 178.625 176.117 0.028 0.000 1.115 264 I CA 1.443 62.772 61.300 0.049 0.000 1.392 264 I CB -0.352 37.688 38.000 0.067 0.000 1.065 264 I HN 0.100 nan 8.210 nan 0.000 0.418 265 F N 2.598 122.501 119.950 -0.078 0.000 2.206 265 F HA 0.165 4.695 4.527 0.005 0.000 0.298 265 F C 2.377 178.116 175.800 -0.102 0.000 1.090 265 F CA 1.278 59.207 58.000 -0.119 0.000 1.323 265 F CB -0.674 38.224 39.000 -0.172 0.000 1.028 265 F HN 0.099 nan 8.300 nan 0.000 0.492 266 G N 1.922 110.748 108.800 0.044 0.000 2.649 266 G HA2 -0.324 3.639 3.960 0.004 0.000 0.220 266 G HA3 -0.324 3.639 3.960 0.004 0.000 0.220 266 G C -0.517 174.306 174.900 -0.129 0.000 1.189 266 G CA 1.253 46.361 45.100 0.015 0.000 0.777 266 G HN 0.359 nan 8.290 nan 0.000 0.602 267 P HA -0.093 nan 4.420 nan 0.000 0.214 267 P C 2.134 179.247 177.300 -0.312 0.000 1.163 267 P CA 1.266 64.271 63.100 -0.159 0.000 0.883 267 P CB -0.184 31.451 31.700 -0.108 0.000 0.788 268 I N -1.132 119.156 120.570 -0.472 0.000 2.113 268 I HA -0.301 3.872 4.170 0.004 0.000 0.242 268 I C 2.630 178.050 176.117 -1.162 0.000 1.057 268 I CA 1.792 62.636 61.300 -0.760 0.000 1.314 268 I CB -0.894 36.588 38.000 -0.863 0.000 1.022 268 I HN -0.147 nan 8.210 nan 0.000 0.408 269 F N 2.041 121.189 119.950 -1.336 0.000 2.091 269 F HA -0.286 4.244 4.527 0.005 0.000 0.299 269 F C 2.223 177.753 175.800 -0.451 0.000 1.103 269 F CA 2.147 59.546 58.000 -1.002 0.000 1.228 269 F CB -0.721 37.890 39.000 -0.648 0.000 0.984 269 F HN 0.116 nan 8.300 nan 0.000 0.477 270 N N 0.222 118.765 118.700 -0.263 0.000 2.036 270 N HA -0.262 4.481 4.740 0.004 0.000 0.195 270 N C 1.770 177.166 175.510 -0.191 0.000 1.037 270 N CA 1.753 54.706 53.050 -0.161 0.000 0.855 270 N CB -0.265 38.190 38.487 -0.054 0.000 1.033 270 N HN 0.347 nan 8.380 nan 0.000 0.423 271 K N 0.161 120.429 120.400 -0.220 0.000 2.059 271 K HA -0.193 4.130 4.320 0.004 0.000 0.212 271 K C 1.869 178.497 176.600 0.046 0.000 1.050 271 K CA 1.468 57.704 56.287 -0.086 0.000 0.927 271 K CB -0.168 32.283 32.500 -0.081 0.000 0.714 271 K HN 0.333 nan 8.250 nan 0.000 0.447 272 W N 0.315 121.471 121.300 -0.239 0.000 2.381 272 W HA -0.128 4.535 4.660 0.003 0.000 0.321 272 W C 2.261 178.620 176.519 -0.266 0.000 1.196 272 W CA 0.149 57.342 57.345 -0.253 0.000 1.304 272 W CB -1.468 27.805 29.460 -0.312 0.000 1.166 272 W HN -0.064 nan 8.180 nan 0.000 0.473 273 V N 1.079 120.872 119.914 -0.200 0.000 2.324 273 V HA -0.287 3.836 4.120 0.004 0.000 0.250 273 V C 2.128 178.244 176.094 0.037 0.000 1.060 273 V CA 2.299 64.530 62.300 -0.114 0.000 1.042 273 V CB -0.794 30.911 31.823 -0.197 0.000 0.650 273 V HN 0.098 nan 8.190 nan 0.000 0.450 274 L N 1.227 122.458 121.223 0.014 0.000 2.068 274 L HA 0.258 4.600 4.340 0.004 0.000 0.204 274 L C 2.323 179.209 176.870 0.027 0.000 1.076 274 L CA 2.389 57.254 54.840 0.042 0.000 0.753 274 L CB -1.337 40.742 42.059 0.034 0.000 0.910 274 L HN 0.355 nan 8.230 nan 0.000 0.439 275 G N -1.391 107.429 108.800 0.033 0.000 2.920 275 G HA2 -0.117 3.845 3.960 0.004 0.000 0.208 275 G HA3 -0.117 3.845 3.960 0.004 0.000 0.208 275 G C 1.359 176.267 174.900 0.013 0.000 1.159 275 G CA 0.456 45.574 45.100 0.031 0.000 0.784 275 G HN 0.392 nan 8.290 nan 0.000 0.535 276 M N 0.570 120.174 119.600 0.007 0.000 2.333 276 M HA 0.181 4.663 4.480 0.004 0.000 0.257 276 M C 2.032 178.313 176.300 -0.032 0.000 1.078 276 M CA 0.088 55.374 55.300 -0.022 0.000 1.005 276 M CB 0.413 32.993 32.600 -0.032 0.000 1.444 276 M HN 0.318 nan 8.290 nan 0.000 0.496 277 Q N -1.388 118.396 119.800 -0.026 0.000 2.365 277 Q HA 0.029 4.372 4.340 0.004 0.000 0.203 277 Q C 0.076 176.049 176.000 -0.044 0.000 0.929 277 Q CA 0.294 56.068 55.803 -0.048 0.000 0.948 277 Q CB 0.235 28.935 28.738 -0.064 0.000 1.043 277 Q HN 0.404 nan 8.270 nan 0.000 0.505 278 D N 1.369 121.754 120.400 -0.025 0.000 2.652 278 D HA 0.074 4.716 4.640 0.004 0.000 0.261 278 D C 1.487 177.787 176.300 0.000 0.000 1.024 278 D CA 0.426 54.428 54.000 0.004 0.000 0.958 278 D CB 0.162 40.966 40.800 0.007 0.000 1.113 278 D HN 0.223 nan 8.370 nan 0.000 0.471 279 L N 1.357 122.560 121.223 -0.033 0.000 2.821 279 L HA -0.003 4.339 4.340 0.004 0.000 0.254 279 L C 1.226 178.031 176.870 -0.108 0.000 1.151 279 L CA 0.128 54.932 54.840 -0.060 0.000 0.937 279 L CB 0.086 42.106 42.059 -0.065 0.000 1.141 279 L HN 0.034 nan 8.230 nan 0.000 0.425 280 L N -1.950 119.195 121.223 -0.132 0.000 3.128 280 L HA 0.076 4.419 4.340 0.004 0.000 0.277 280 L C 1.749 178.348 176.870 -0.452 0.000 1.171 280 L CA 0.603 55.278 54.840 -0.275 0.000 1.008 280 L CB -0.203 41.716 42.059 -0.233 0.000 1.442 280 L HN 0.232 nan 8.230 nan 0.000 0.584 281 H N 0.804 119.710 119.070 -0.273 0.000 2.544 281 H HA 0.173 4.732 4.556 0.004 0.000 0.269 281 H C 1.067 176.370 175.328 -0.043 0.000 0.970 281 H CA 0.740 56.755 56.048 -0.055 0.000 1.219 281 H CB 0.381 30.176 29.762 0.056 0.000 1.421 281 H HN 0.023 nan 8.280 nan 0.000 0.555 282 R N 0.176 120.624 120.500 -0.087 0.000 4.031 282 R HA 0.186 4.529 4.340 0.004 0.000 0.269 282 R C -0.220 175.991 176.300 -0.147 0.000 1.668 282 R CA 0.128 56.173 56.100 -0.091 0.000 1.432 282 R CB 0.541 30.811 30.300 -0.049 0.000 1.374 282 R HN 0.141 nan 8.270 nan 0.000 0.681 283 V N -1.544 118.230 119.914 -0.234 0.000 3.523 283 V HA -0.007 4.115 4.120 0.004 0.000 0.273 283 V C 0.818 176.816 176.094 -0.160 0.000 1.675 283 V CA 0.052 62.215 62.300 -0.228 0.000 1.079 283 V CB 0.112 31.753 31.823 -0.303 0.000 0.901 283 V HN 0.645 nan 8.190 nan 0.000 0.406 284 H N -1.949 117.020 119.070 -0.168 0.000 3.787 284 H HA 0.340 4.898 4.556 0.004 0.000 0.262 284 H C 1.747 177.022 175.328 -0.088 0.000 1.181 284 H CA 0.411 56.402 56.048 -0.095 0.000 1.159 284 H CB 0.818 30.529 29.762 -0.085 0.000 1.563 284 H HN 0.263 nan 8.280 nan 0.000 0.699 285 G N 1.413 110.271 108.800 0.098 0.000 2.271 285 G HA2 -0.294 3.669 3.960 0.004 0.000 0.283 285 G HA3 -0.294 3.669 3.960 0.004 0.000 0.283 285 G C 1.302 176.092 174.900 -0.184 0.000 1.002 285 G CA 1.473 46.484 45.100 -0.149 0.000 0.701 285 G HN 1.468 nan 8.290 nan 0.000 0.528 286 G N -1.295 107.439 108.800 -0.109 0.000 2.229 286 G HA2 -0.239 3.724 3.960 0.004 0.000 0.189 286 G HA3 -0.239 3.724 3.960 0.004 0.000 0.189 286 G C 0.137 175.097 174.900 0.099 0.000 1.000 286 G CA 0.621 45.766 45.100 0.076 0.000 0.663 286 G HN 1.178 nan 8.290 nan 0.000 0.493 287 N N 1.327 120.086 118.700 0.098 0.000 2.417 287 N HA 0.109 4.851 4.740 0.004 0.000 0.272 287 N C 1.575 177.164 175.510 0.131 0.000 1.304 287 N CA 0.012 53.121 53.050 0.098 0.000 0.906 287 N CB 0.229 38.775 38.487 0.098 0.000 1.135 287 N HN 0.162 nan 8.380 nan 0.000 0.483 288 I N 3.312 123.917 120.570 0.059 0.000 3.055 288 I HA -0.189 3.984 4.170 0.004 0.000 0.277 288 I C 1.782 177.926 176.117 0.046 0.000 1.306 288 I CA 1.099 62.416 61.300 0.028 0.000 1.426 288 I CB -0.341 37.667 38.000 0.013 0.000 1.081 288 I HN 0.540 nan 8.210 nan 0.000 0.502 289 T N -1.685 112.910 114.554 0.067 0.000 3.174 289 T HA 0.068 4.421 4.350 0.004 0.000 0.252 289 T C 1.753 176.514 174.700 0.101 0.000 0.984 289 T CA -0.137 61.984 62.100 0.036 0.000 1.113 289 T CB 0.206 69.063 68.868 -0.019 0.000 1.088 289 T HN 0.106 nan 8.240 nan 0.000 0.442 290 K N 0.693 121.166 120.400 0.121 0.000 2.160 290 K HA -0.151 4.171 4.320 0.004 0.000 0.206 290 K C 1.965 178.696 176.600 0.219 0.000 1.047 290 K CA 1.269 57.633 56.287 0.129 0.000 0.930 290 K CB -0.062 32.511 32.500 0.122 0.000 0.720 290 K HN 0.373 nan 8.250 nan 0.000 0.450 291 W N 1.402 122.767 121.300 0.108 0.000 2.381 291 W HA -0.158 4.504 4.660 0.004 0.000 0.321 291 W C 1.736 178.271 176.519 0.027 0.000 1.196 291 W CA 0.970 58.437 57.345 0.203 0.000 1.304 291 W CB -0.709 28.803 29.460 0.087 0.000 1.166 291 W HN -0.235 nan 8.180 nan 0.000 0.473 292 V N 1.806 121.934 119.914 0.358 0.000 2.546 292 V HA -0.317 3.805 4.120 0.004 0.000 0.254 292 V C 2.351 178.442 176.094 -0.005 0.000 1.076 292 V CA 1.769 64.159 62.300 0.149 0.000 1.087 292 V CB -0.980 30.881 31.823 0.062 0.000 0.674 292 V HN 0.167 nan 8.190 nan 0.000 0.470 293 L N -1.516 119.715 121.223 0.014 0.000 2.127 293 L HA -0.063 4.280 4.340 0.004 0.000 0.203 293 L C 2.406 179.235 176.870 -0.070 0.000 1.080 293 L CA 1.382 56.210 54.840 -0.019 0.000 0.768 293 L CB -0.446 41.618 42.059 0.008 0.000 0.924 293 L HN 0.296 nan 8.230 nan 0.000 0.444 294 M N 0.086 119.638 119.600 -0.080 0.000 2.159 294 M HA -0.140 4.342 4.480 0.004 0.000 0.263 294 M C 2.059 178.201 176.300 -0.262 0.000 1.063 294 M CA 2.109 57.323 55.300 -0.143 0.000 1.110 294 M CB -0.372 32.120 32.600 -0.179 0.000 1.374 294 M HN 0.279 nan 8.290 nan 0.000 0.411 295 G N -0.651 107.816 108.800 -0.554 0.000 2.453 295 G HA2 -0.173 3.790 3.960 0.004 0.000 0.215 295 G HA3 -0.173 3.790 3.960 0.004 0.000 0.215 295 G C 1.404 176.027 174.900 -0.461 0.000 1.201 295 G CA 0.779 45.153 45.100 -1.210 0.000 0.784 295 G HN 0.596 nan 8.290 nan 0.000 0.545 296 G N 1.025 109.656 108.800 -0.283 0.000 2.532 296 G HA2 -0.004 3.958 3.960 0.004 0.000 0.222 296 G HA3 -0.004 3.958 3.960 0.004 0.000 0.222 296 G C 1.887 176.707 174.900 -0.133 0.000 1.102 296 G CA 1.696 46.737 45.100 -0.099 0.000 0.742 296 G HN 0.708 nan 8.290 nan 0.000 0.577 297 A N 1.500 124.258 122.820 -0.103 0.000 1.826 297 A HA 0.048 4.370 4.320 0.004 0.000 0.214 297 A C 2.432 179.960 177.584 -0.093 0.000 1.212 297 A CA 1.545 53.560 52.037 -0.036 0.000 0.605 297 A CB -0.513 18.491 19.000 0.007 0.000 0.861 297 A HN 0.652 nan 8.150 nan 0.000 0.447 298 I N -1.882 118.653 120.570 -0.059 0.000 2.361 298 I HA -0.049 4.124 4.170 0.004 0.000 0.251 298 I C 2.248 178.347 176.117 -0.030 0.000 1.133 298 I CA 1.554 62.845 61.300 -0.016 0.000 1.413 298 I CB -1.150 36.871 38.000 0.036 0.000 1.073 298 I HN 0.212 nan 8.210 nan 0.000 0.424 299 G N 1.407 110.193 108.800 -0.025 0.000 2.418 299 G HA2 -0.147 3.815 3.960 0.004 0.000 0.217 299 G HA3 -0.147 3.815 3.960 0.004 0.000 0.217 299 G C 1.643 176.443 174.900 -0.167 0.000 1.158 299 G CA 0.889 45.987 45.100 -0.003 0.000 0.771 299 G HN 0.538 nan 8.290 nan 0.000 0.545 300 G N 0.925 109.474 108.800 -0.418 0.000 2.404 300 G HA2 -0.127 3.835 3.960 0.004 0.000 0.215 300 G HA3 -0.127 3.835 3.960 0.004 0.000 0.215 300 G C 1.749 176.297 174.900 -0.587 0.000 1.174 300 G CA 0.994 45.559 45.100 -0.892 0.000 0.780 300 G HN 0.431 nan 8.290 nan 0.000 0.537 301 L N 0.950 121.967 121.223 -0.343 0.000 2.103 301 L HA -0.182 4.160 4.340 0.004 0.000 0.215 301 L C 2.641 179.514 176.870 0.005 0.000 1.080 301 L CA 1.693 56.520 54.840 -0.023 0.000 0.764 301 L CB -0.971 41.110 42.059 0.037 0.000 0.890 301 L HN 0.291 nan 8.230 nan 0.000 0.435 302 C N -0.351 118.931 119.300 -0.030 0.000 2.453 302 C HA 0.015 4.478 4.460 0.004 0.000 0.277 302 C C 2.801 177.804 174.990 0.023 0.000 1.262 302 C CA 0.526 59.551 59.018 0.012 0.000 1.718 302 C CB -1.919 25.832 27.740 0.019 0.000 2.031 302 C HN 0.754 nan 8.230 nan 0.000 0.480 303 G N 0.338 109.127 108.800 -0.017 0.000 2.450 303 G HA2 -0.221 3.742 3.960 0.004 0.000 0.220 303 G HA3 -0.221 3.742 3.960 0.004 0.000 0.220 303 G C 1.519 176.473 174.900 0.090 0.000 1.130 303 G CA 1.045 46.156 45.100 0.018 0.000 0.760 303 G HN 0.466 nan 8.290 nan 0.000 0.557 304 L N 0.289 121.580 121.223 0.113 0.000 2.023 304 L HA 0.184 4.527 4.340 0.004 0.000 0.205 304 L C 2.682 179.667 176.870 0.192 0.000 1.073 304 L CA 1.300 56.258 54.840 0.196 0.000 0.745 304 L CB -0.466 41.742 42.059 0.248 0.000 0.900 304 L HN 0.193 nan 8.230 nan 0.000 0.435 305 L N -0.518 120.789 121.223 0.140 0.000 2.191 305 L HA -0.112 4.231 4.340 0.004 0.000 0.212 305 L C 2.431 179.368 176.870 0.112 0.000 1.103 305 L CA 0.988 55.899 54.840 0.118 0.000 0.769 305 L CB -1.275 40.835 42.059 0.084 0.000 0.908 305 L HN 0.480 nan 8.230 nan 0.000 0.438 306 G N -0.727 108.145 108.800 0.120 0.000 2.470 306 G HA2 -0.301 3.662 3.960 0.004 0.000 0.220 306 G HA3 -0.301 3.662 3.960 0.004 0.000 0.220 306 G C 1.364 176.369 174.900 0.174 0.000 1.121 306 G CA 0.470 45.642 45.100 0.119 0.000 0.766 306 G HN 0.345 nan 8.290 nan 0.000 0.553 307 F N 0.690 120.669 119.950 0.048 0.000 2.553 307 F HA 0.274 4.804 4.527 0.004 0.000 0.282 307 F C 0.807 176.645 175.800 0.064 0.000 1.089 307 F CA -0.152 57.875 58.000 0.044 0.000 1.411 307 F CB 0.706 39.725 39.000 0.032 0.000 1.125 307 F HN 0.001 nan 8.300 nan 0.000 0.610 308 V N -0.047 119.901 119.914 0.057 0.000 2.275 308 V HA 0.811 4.933 4.120 0.004 0.000 0.272 308 V C 0.045 176.168 176.094 0.048 0.000 1.028 308 V CA -0.963 61.337 62.300 -0.000 0.000 0.810 308 V CB -0.224 31.670 31.823 0.118 0.000 1.043 308 V HN 0.701 nan 8.190 nan 0.000 0.453 309 A N 5.111 127.943 122.820 0.020 0.000 2.451 309 A HA -0.018 4.305 4.320 0.004 0.000 0.273 309 A C -1.730 175.887 177.584 0.055 0.000 1.384 309 A CA 0.242 52.328 52.037 0.082 0.000 0.719 309 A CB -1.605 17.509 19.000 0.190 0.000 1.146 309 A HN 0.744 nan 8.150 nan 0.000 0.353 310 P HA 0.105 nan 4.420 nan 0.000 0.229 310 P C 1.673 178.988 177.300 0.023 0.000 1.160 310 P CA 1.222 64.343 63.100 0.035 0.000 0.777 310 P CB 0.192 31.914 31.700 0.037 0.000 0.814 311 A N -0.038 122.790 122.820 0.014 0.000 2.076 311 A HA -0.171 4.151 4.320 0.004 0.000 0.220 311 A C 2.096 179.616 177.584 -0.107 0.000 1.160 311 A CA 2.286 54.306 52.037 -0.028 0.000 0.653 311 A CB -1.732 17.212 19.000 -0.093 0.000 0.801 311 A HN 0.346 nan 8.150 nan 0.000 0.455 312 T N -4.010 110.472 114.554 -0.119 0.000 3.051 312 T HA 0.199 4.552 4.350 0.004 0.000 0.255 312 T C 1.211 175.876 174.700 -0.058 0.000 1.085 312 T CA 0.909 62.921 62.100 -0.146 0.000 1.109 312 T CB -0.126 68.648 68.868 -0.157 0.000 0.921 312 T HN 0.336 nan 8.240 nan 0.000 0.488 313 S N -0.233 115.458 115.700 -0.016 0.000 2.618 313 S HA 0.659 5.131 4.470 0.004 0.000 0.284 313 S C 0.560 175.162 174.600 0.004 0.000 1.102 313 S CA 0.285 58.489 58.200 0.007 0.000 0.984 313 S CB 0.683 63.901 63.200 0.030 0.000 1.280 313 S HN 1.505 nan 8.310 nan 0.000 0.525 314 G N -0.566 108.241 108.800 0.012 0.000 2.755 314 G HA2 -0.004 3.958 3.960 0.004 0.000 0.686 314 G HA3 -0.004 3.958 3.960 0.004 0.000 0.686 314 G C 0.655 175.530 174.900 -0.041 0.000 1.427 314 G CA -0.085 45.014 45.100 -0.001 0.000 0.873 314 G HN 1.555 nan 8.290 nan 0.000 0.580 315 G N 0.116 108.869 108.800 -0.079 0.000 2.740 315 G HA2 0.450 4.413 3.960 0.004 0.000 0.208 315 G HA3 0.450 4.413 3.960 0.004 0.000 0.208 315 G C 1.869 176.569 174.900 -0.334 0.000 1.148 315 G CA 1.702 46.694 45.100 -0.180 0.000 0.795 315 G HN 2.679 nan 8.290 nan 0.000 0.526 316 G N 0.474 109.148 108.800 -0.210 0.000 3.299 316 G HA2 -0.226 3.737 3.960 0.004 0.000 0.251 316 G HA3 -0.226 3.737 3.960 0.004 0.000 0.251 316 G C 0.998 175.846 174.900 -0.087 0.000 1.741 316 G CA 0.537 45.526 45.100 -0.186 0.000 1.151 316 G HN 0.850 nan 8.290 nan 0.000 0.561 317 F N 2.806 122.749 119.950 -0.011 0.000 2.481 317 F HA 0.079 4.608 4.527 0.004 0.000 0.297 317 F C 1.722 177.522 175.800 -0.001 0.000 1.095 317 F CA 1.083 59.070 58.000 -0.022 0.000 1.465 317 F CB -1.286 37.673 39.000 -0.068 0.000 1.098 317 F HN 0.244 nan 8.300 nan 0.000 0.585 318 N N 0.634 119.566 118.700 0.386 0.000 2.661 318 N HA -0.163 4.580 4.740 0.004 0.000 0.196 318 N C 1.133 176.760 175.510 0.195 0.000 1.129 318 N CA 1.319 54.556 53.050 0.313 0.000 0.938 318 N CB -0.009 38.565 38.487 0.145 0.000 0.966 318 N HN 0.466 nan 8.380 nan 0.000 0.450 319 L N -2.176 119.154 121.223 0.177 0.000 3.583 319 L HA 0.079 4.421 4.340 0.004 0.000 0.402 319 L C 1.297 178.232 176.870 0.108 0.000 0.981 319 L CA 0.072 54.978 54.840 0.111 0.000 1.807 319 L CB -0.363 41.751 42.059 0.091 0.000 2.565 319 L HN -0.189 nan 8.230 nan 0.000 0.547 320 I N 1.844 122.497 120.570 0.139 0.000 2.052 320 I HA -0.187 3.985 4.170 0.004 0.000 0.235 320 I C -0.434 175.751 176.117 0.114 0.000 1.046 320 I CA 1.994 63.383 61.300 0.148 0.000 1.308 320 I CB -1.995 36.089 38.000 0.141 0.000 1.031 320 I HN 0.147 nan 8.210 nan 0.000 0.395 321 P HA -0.153 nan 4.420 nan 0.000 0.223 321 P C 1.354 178.662 177.300 0.014 0.000 1.140 321 P CA 1.433 64.563 63.100 0.050 0.000 0.783 321 P CB -0.062 31.657 31.700 0.031 0.000 0.759 322 I N -0.900 119.676 120.570 0.009 0.000 2.900 322 I HA 0.109 4.282 4.170 0.004 0.000 0.251 322 I C 2.386 178.464 176.117 -0.064 0.000 1.102 322 I CA 0.833 62.116 61.300 -0.028 0.000 1.457 322 I CB -1.816 36.166 38.000 -0.030 0.000 1.285 322 I HN -0.226 nan 8.210 nan 0.000 0.459 323 A N 0.486 123.257 122.820 -0.082 0.000 2.186 323 A HA -0.180 4.143 4.320 0.004 0.000 0.219 323 A C 2.285 179.639 177.584 -0.384 0.000 1.159 323 A CA 2.421 54.324 52.037 -0.224 0.000 0.680 323 A CB -1.197 17.681 19.000 -0.203 0.000 0.787 323 A HN 0.596 nan 8.150 nan 0.000 0.467 324 T N -4.791 109.676 114.554 -0.145 0.000 3.038 324 T HA 0.395 4.748 4.350 0.004 0.000 0.244 324 T C 1.649 176.353 174.700 0.007 0.000 1.016 324 T CA 0.860 62.944 62.100 -0.026 0.000 1.098 324 T CB -0.386 68.615 68.868 0.222 0.000 0.954 324 T HN 0.560 nan 8.240 nan 0.000 0.469 325 A N 0.743 123.563 122.820 0.000 0.000 2.253 325 A HA 0.557 4.880 4.320 0.004 0.000 0.203 325 A C 1.813 179.392 177.584 -0.008 0.000 1.272 325 A CA 0.954 52.997 52.037 0.009 0.000 0.847 325 A CB -1.151 17.846 19.000 -0.005 0.000 0.772 325 A HN 0.744 nan 8.150 nan 0.000 0.494 326 G N -0.216 108.561 108.800 -0.039 0.000 2.570 326 G HA2 0.257 4.220 3.960 0.004 0.000 0.213 326 G HA3 0.257 4.220 3.960 0.004 0.000 0.213 326 G C -0.023 174.840 174.900 -0.061 0.000 1.391 326 G CA 0.404 45.474 45.100 -0.049 0.000 0.533 326 G HN 0.733 nan 8.290 nan 0.000 1.072 327 N N -0.670 117.948 118.700 -0.136 0.000 2.785 327 N HA 0.414 5.156 4.740 0.004 0.000 0.224 327 N C -1.699 173.736 175.510 -0.125 0.000 1.448 327 N CA -0.540 52.443 53.050 -0.113 0.000 0.748 327 N CB -0.023 38.402 38.487 -0.103 0.000 1.385 327 N HN 0.014 nan 8.380 nan 0.000 0.538 328 F N 0.888 120.849 119.950 0.019 0.000 2.522 328 F HA 0.633 5.163 4.527 0.004 0.000 0.324 328 F C 0.898 176.712 175.800 0.022 0.000 1.077 328 F CA -1.280 56.735 58.000 0.025 0.000 0.944 328 F CB 2.011 41.029 39.000 0.031 0.000 1.175 328 F HN 0.308 nan 8.300 nan 0.000 0.468 329 S N 2.784 118.651 115.700 0.278 0.000 2.562 329 S HA 0.091 4.564 4.470 0.004 0.000 0.281 329 S C 1.295 175.951 174.600 0.094 0.000 1.333 329 S CA -0.667 57.614 58.200 0.134 0.000 1.052 329 S CB 0.671 63.929 63.200 0.096 0.000 0.884 329 S HN 0.791 nan 8.310 nan 0.000 0.506 330 M N 4.166 123.799 119.600 0.054 0.000 2.113 330 M HA -0.080 4.403 4.480 0.004 0.000 0.255 330 M C 1.961 178.276 176.300 0.025 0.000 1.073 330 M CA 2.576 57.892 55.300 0.026 0.000 1.091 330 M CB -1.570 31.030 32.600 -0.000 0.000 1.309 330 M HN 0.934 nan 8.290 nan 0.000 0.407 331 G N -0.473 108.344 108.800 0.028 0.000 2.459 331 G HA2 -0.285 3.677 3.960 0.004 0.000 0.217 331 G HA3 -0.285 3.677 3.960 0.004 0.000 0.217 331 G C 1.470 176.403 174.900 0.055 0.000 1.183 331 G CA 1.339 46.459 45.100 0.035 0.000 0.776 331 G HN 0.544 nan 8.290 nan 0.000 0.552 332 M N 0.596 120.216 119.600 0.033 0.000 2.108 332 M HA -0.034 4.449 4.480 0.004 0.000 0.257 332 M C 2.373 178.620 176.300 -0.088 0.000 1.071 332 M CA 1.271 56.566 55.300 -0.009 0.000 1.093 332 M CB -0.657 31.874 32.600 -0.116 0.000 1.345 332 M HN 0.225 nan 8.290 nan 0.000 0.403 333 L N -1.469 119.706 121.223 -0.080 0.000 1.971 333 L HA -0.281 4.062 4.340 0.004 0.000 0.215 333 L C 2.303 179.179 176.870 0.010 0.000 1.072 333 L CA 1.627 56.428 54.840 -0.065 0.000 0.758 333 L CB -1.100 40.959 42.059 -0.001 0.000 0.889 333 L HN 0.173 nan 8.230 nan 0.000 0.433 334 V N -0.115 119.834 119.914 0.058 0.000 2.278 334 V HA -0.390 3.732 4.120 0.004 0.000 0.251 334 V C 2.150 178.360 176.094 0.195 0.000 1.062 334 V CA 2.415 64.795 62.300 0.132 0.000 1.038 334 V CB -0.720 31.168 31.823 0.108 0.000 0.646 334 V HN 0.412 nan 8.190 nan 0.000 0.447 335 F N 0.572 120.523 119.950 0.001 0.000 2.011 335 F HA -0.270 4.259 4.527 0.004 0.000 0.296 335 F C 2.349 178.144 175.800 -0.009 0.000 1.144 335 F CA 2.269 60.259 58.000 -0.016 0.000 1.185 335 F CB -0.237 38.729 39.000 -0.057 0.000 0.961 335 F HN 0.043 nan 8.300 nan 0.000 0.485 336 I N -0.104 120.192 120.570 -0.456 0.000 2.181 336 I HA -0.378 3.795 4.170 0.004 0.000 0.247 336 I C 2.358 178.347 176.117 -0.213 0.000 1.081 336 I CA 1.746 62.734 61.300 -0.521 0.000 1.340 336 I CB -0.798 36.988 38.000 -0.357 0.000 1.036 336 I HN 0.308 nan 8.210 nan 0.000 0.417 337 F N 1.613 121.445 119.950 -0.198 0.000 2.046 337 F HA -0.219 4.311 4.527 0.004 0.000 0.297 337 F C 2.412 178.170 175.800 -0.070 0.000 1.123 337 F CA 1.889 59.816 58.000 -0.122 0.000 1.199 337 F CB -0.804 38.134 39.000 -0.103 0.000 0.972 337 F HN -0.213 nan 8.300 nan 0.000 0.474 338 V N 0.828 120.650 119.914 -0.153 0.000 2.255 338 V HA -0.312 3.811 4.120 0.004 0.000 0.247 338 V C 2.800 178.801 176.094 -0.156 0.000 1.051 338 V CA 1.952 64.144 62.300 -0.181 0.000 1.018 338 V CB -1.861 29.970 31.823 0.014 0.000 0.641 338 V HN 0.514 nan 8.190 nan 0.000 0.445 339 A N 0.477 123.185 122.820 -0.186 0.000 1.884 339 A HA -0.309 4.014 4.320 0.004 0.000 0.219 339 A C 2.375 179.865 177.584 -0.157 0.000 1.197 339 A CA 2.509 54.418 52.037 -0.213 0.000 0.637 339 A CB -0.586 18.055 19.000 -0.600 0.000 0.827 339 A HN 0.580 nan 8.150 nan 0.000 0.450 340 R N -0.919 119.472 120.500 -0.182 0.000 2.090 340 R HA -0.014 4.328 4.340 0.004 0.000 0.228 340 R C 1.995 178.268 176.300 -0.044 0.000 1.110 340 R CA 1.152 57.193 56.100 -0.097 0.000 0.973 340 R CB -0.700 29.551 30.300 -0.080 0.000 0.869 340 R HN 0.389 nan 8.270 nan 0.000 0.440 341 V N 1.983 121.826 119.914 -0.119 0.000 2.317 341 V HA -0.297 3.826 4.120 0.004 0.000 0.251 341 V C 2.254 178.419 176.094 0.117 0.000 1.065 341 V CA 1.880 64.187 62.300 0.012 0.000 1.049 341 V CB -0.458 31.310 31.823 -0.091 0.000 0.651 341 V HN 0.244 nan 8.190 nan 0.000 0.450 342 I N 0.426 121.009 120.570 0.022 0.000 2.186 342 I HA -0.203 3.969 4.170 0.004 0.000 0.228 342 I C 2.857 179.005 176.117 0.052 0.000 1.062 342 I CA 1.880 63.192 61.300 0.020 0.000 1.347 342 I CB -1.279 36.712 38.000 -0.015 0.000 1.122 342 I HN 0.453 nan 8.210 nan 0.000 0.402 343 T N -1.219 113.355 114.554 0.034 0.000 2.736 343 T HA -0.299 4.054 4.350 0.004 0.000 0.265 343 T C 1.715 176.471 174.700 0.093 0.000 1.031 343 T CA 2.431 64.562 62.100 0.052 0.000 1.155 343 T CB -1.446 67.439 68.868 0.028 0.000 0.849 343 T HN 0.337 nan 8.240 nan 0.000 0.471 344 T N 2.364 116.985 114.554 0.112 0.000 2.643 344 T HA 0.091 4.444 4.350 0.004 0.000 0.264 344 T C 1.977 176.817 174.700 0.234 0.000 1.045 344 T CA 1.522 63.723 62.100 0.169 0.000 1.155 344 T CB -0.548 68.442 68.868 0.202 0.000 0.863 344 T HN 0.345 nan 8.240 nan 0.000 0.420 345 L N 0.295 121.655 121.223 0.228 0.000 1.955 345 L HA -0.119 4.224 4.340 0.004 0.000 0.213 345 L C 2.538 179.516 176.870 0.181 0.000 1.072 345 L CA 1.038 56.001 54.840 0.205 0.000 0.755 345 L CB -0.807 41.314 42.059 0.103 0.000 0.888 345 L HN 0.176 nan 8.230 nan 0.000 0.432 346 L N -0.271 121.022 121.223 0.116 0.000 2.054 346 L HA -0.347 3.995 4.340 0.004 0.000 0.220 346 L C 2.547 179.501 176.870 0.141 0.000 1.081 346 L CA 2.114 57.008 54.840 0.090 0.000 0.780 346 L CB -0.569 41.529 42.059 0.065 0.000 0.893 346 L HN 0.403 nan 8.230 nan 0.000 0.438 347 C N -2.328 117.082 119.300 0.184 0.000 2.486 347 C HA -0.059 4.404 4.460 0.004 0.000 0.279 347 C C 2.458 177.609 174.990 0.268 0.000 1.302 347 C CA 0.219 59.372 59.018 0.225 0.000 1.720 347 C CB -1.076 26.785 27.740 0.202 0.000 2.030 347 C HN 0.634 nan 8.230 nan 0.000 0.490 348 F N 2.363 122.391 119.950 0.130 0.000 2.074 348 F HA -0.076 4.454 4.527 0.004 0.000 0.293 348 F C 2.529 178.408 175.800 0.133 0.000 1.116 348 F CA 1.957 60.037 58.000 0.134 0.000 1.212 348 F CB -0.822 38.268 39.000 0.150 0.000 0.998 348 F HN 0.050 nan 8.300 nan 0.000 0.471 349 S N 0.257 115.981 115.700 0.041 0.000 2.387 349 S HA -0.267 4.205 4.470 0.004 0.000 0.230 349 S C 2.302 176.872 174.600 -0.050 0.000 1.035 349 S CA 1.521 59.670 58.200 -0.084 0.000 1.014 349 S CB -0.943 62.269 63.200 0.020 0.000 0.836 349 S HN 0.670 nan 8.310 nan 0.000 0.466 350 S N 1.129 116.863 115.700 0.056 0.000 2.359 350 S HA -0.006 4.466 4.470 0.004 0.000 0.223 350 S C 1.665 176.431 174.600 0.276 0.000 1.039 350 S CA 1.591 59.880 58.200 0.149 0.000 1.042 350 S CB -0.818 62.597 63.200 0.359 0.000 0.915 350 S HN 1.091 nan 8.310 nan 0.000 0.439 351 G N 0.219 109.132 108.800 0.188 0.000 2.148 351 G HA2 0.266 4.228 3.960 0.004 0.000 0.120 351 G HA3 0.266 4.228 3.960 0.004 0.000 0.120 351 G C -0.001 174.925 174.900 0.043 0.000 1.034 351 G CA -0.058 45.155 45.100 0.188 0.000 0.710 351 G HN 1.151 nan 8.290 nan 0.000 0.495 352 A N 0.903 123.635 122.820 -0.148 0.000 2.322 352 A HA 0.813 5.135 4.320 0.004 0.000 0.269 352 A C -1.629 175.894 177.584 -0.102 0.000 1.094 352 A CA -1.224 50.570 52.037 -0.406 0.000 0.807 352 A CB 0.462 19.080 19.000 -0.636 0.000 1.047 352 A HN 0.199 nan 8.150 nan 0.000 0.487 353 P HA 0.347 nan 4.420 nan 0.000 0.263 353 P C 0.185 177.550 177.300 0.108 0.000 1.195 353 P CA 1.060 64.183 63.100 0.038 0.000 0.762 353 P CB 0.518 32.249 31.700 0.053 0.000 0.799 354 G N 1.642 110.529 108.800 0.145 0.000 2.521 354 G HA2 0.367 4.330 3.960 0.004 0.000 0.589 354 G HA3 0.367 4.330 3.960 0.004 0.000 0.589 354 G C -0.513 174.544 174.900 0.262 0.000 1.501 354 G CA -0.444 44.765 45.100 0.182 0.000 0.887 354 G HN 0.649 nan 8.290 nan 0.000 0.654 355 G N -0.656 108.268 108.800 0.205 0.000 2.531 355 G HA2 0.726 4.689 3.960 0.004 0.000 0.313 355 G HA3 0.726 4.689 3.960 0.004 0.000 0.313 355 G C 1.198 176.123 174.900 0.043 0.000 1.238 355 G CA -0.288 44.923 45.100 0.184 0.000 0.994 355 G HN 1.692 nan 8.290 nan 0.000 0.493 356 I N -2.440 118.021 120.570 -0.182 0.000 3.904 356 I HA 0.386 4.559 4.170 0.004 0.000 0.333 356 I C 1.389 177.520 176.117 0.024 0.000 1.361 356 I CA -0.197 60.998 61.300 -0.175 0.000 1.116 356 I CB -0.027 37.731 38.000 -0.403 0.000 1.028 356 I HN 0.314 nan 8.210 nan 0.000 0.398 357 F N 2.854 122.794 119.950 -0.017 0.000 2.031 357 F HA -0.118 4.411 4.527 0.004 0.000 0.295 357 F C 2.574 178.397 175.800 0.038 0.000 1.133 357 F CA 1.935 59.958 58.000 0.039 0.000 1.188 357 F CB -0.506 38.581 39.000 0.144 0.000 0.974 357 F HN 0.195 nan 8.300 nan 0.000 0.473 358 A N 1.322 124.255 122.820 0.188 0.000 1.849 358 A HA -0.174 4.149 4.320 0.004 0.000 0.217 358 A C -0.217 177.285 177.584 -0.136 0.000 1.202 358 A CA 2.178 54.205 52.037 -0.016 0.000 0.629 358 A CB -2.488 16.504 19.000 -0.013 0.000 0.834 358 A HN 0.394 nan 8.150 nan 0.000 0.447 359 P HA -0.177 nan 4.420 nan 0.000 0.222 359 P C 1.314 178.559 177.300 -0.092 0.000 1.142 359 P CA 1.398 64.445 63.100 -0.089 0.000 0.788 359 P CB -0.230 31.452 31.700 -0.031 0.000 0.767 360 M N -1.680 117.842 119.600 -0.130 0.000 2.558 360 M HA 0.032 4.514 4.480 0.004 0.000 0.255 360 M C 2.070 178.273 176.300 -0.163 0.000 1.113 360 M CA 0.739 55.936 55.300 -0.171 0.000 1.097 360 M CB -0.264 32.213 32.600 -0.205 0.000 1.426 360 M HN -0.068 nan 8.290 nan 0.000 0.488 361 L N -0.604 120.506 121.223 -0.189 0.000 2.068 361 L HA -0.054 4.289 4.340 0.004 0.000 0.204 361 L C 2.789 179.608 176.870 -0.086 0.000 1.076 361 L CA 0.934 55.665 54.840 -0.183 0.000 0.753 361 L CB -0.724 41.206 42.059 -0.214 0.000 0.910 361 L HN 0.254 nan 8.230 nan 0.000 0.439 362 A N 0.595 123.379 122.820 -0.060 0.000 1.841 362 A HA -0.229 4.094 4.320 0.004 0.000 0.216 362 A C 2.224 179.826 177.584 0.030 0.000 1.199 362 A CA 1.712 53.745 52.037 -0.006 0.000 0.621 362 A CB -1.020 17.969 19.000 -0.019 0.000 0.835 362 A HN 0.326 nan 8.150 nan 0.000 0.445 363 L N -0.631 120.617 121.223 0.042 0.000 2.021 363 L HA -0.250 4.093 4.340 0.004 0.000 0.215 363 L C 2.848 179.787 176.870 0.116 0.000 1.074 363 L CA 1.444 56.374 54.840 0.149 0.000 0.760 363 L CB -1.027 41.107 42.059 0.124 0.000 0.889 363 L HN 0.549 nan 8.230 nan 0.000 0.433 364 G N -0.988 107.873 108.800 0.102 0.000 2.446 364 G HA2 -0.255 3.707 3.960 0.004 0.000 0.217 364 G HA3 -0.255 3.707 3.960 0.004 0.000 0.217 364 G C 1.544 176.513 174.900 0.116 0.000 1.168 364 G CA 1.334 46.559 45.100 0.209 0.000 0.771 364 G HN 0.340 nan 8.290 nan 0.000 0.551 365 T N 0.899 115.468 114.554 0.026 0.000 2.720 365 T HA -0.121 4.232 4.350 0.004 0.000 0.268 365 T C 2.535 177.261 174.700 0.043 0.000 1.037 365 T CA 1.318 63.431 62.100 0.021 0.000 1.144 365 T CB -0.297 68.581 68.868 0.016 0.000 0.864 365 T HN 0.077 nan 8.240 nan 0.000 0.444 366 V N 1.417 121.352 119.914 0.035 0.000 2.358 366 V HA -0.082 4.041 4.120 0.004 0.000 0.246 366 V C 2.378 178.401 176.094 -0.119 0.000 1.047 366 V CA 1.233 63.537 62.300 0.007 0.000 1.035 366 V CB -0.679 31.169 31.823 0.041 0.000 0.658 366 V HN 0.315 nan 8.190 nan 0.000 0.452 367 L N 1.423 122.485 121.223 -0.268 0.000 2.093 367 L HA 0.049 4.391 4.340 0.004 0.000 0.208 367 L C 2.287 179.109 176.870 -0.079 0.000 1.085 367 L CA 2.316 56.881 54.840 -0.459 0.000 0.755 367 L CB -1.274 40.289 42.059 -0.827 0.000 0.904 367 L HN 0.252 nan 8.230 nan 0.000 0.435 368 G N -1.780 107.087 108.800 0.112 0.000 2.402 368 G HA2 -0.222 3.740 3.960 0.004 0.000 0.216 368 G HA3 -0.222 3.740 3.960 0.004 0.000 0.216 368 G C 1.406 176.415 174.900 0.182 0.000 1.162 368 G CA 1.108 46.323 45.100 0.191 0.000 0.777 368 G HN 0.423 nan 8.290 nan 0.000 0.539 369 T N 1.908 116.527 114.554 0.109 0.000 2.652 369 T HA -0.056 4.296 4.350 0.004 0.000 0.267 369 T C 2.844 177.578 174.700 0.056 0.000 1.039 369 T CA 1.774 63.935 62.100 0.102 0.000 1.153 369 T CB -0.585 68.338 68.868 0.091 0.000 0.863 369 T HN 0.376 nan 8.240 nan 0.000 0.428 370 A N 1.174 123.999 122.820 0.008 0.000 1.903 370 A HA -0.164 4.158 4.320 0.004 0.000 0.219 370 A C 2.046 179.592 177.584 -0.063 0.000 1.191 370 A CA 1.990 54.002 52.037 -0.042 0.000 0.638 370 A CB -1.193 17.745 19.000 -0.103 0.000 0.823 370 A HN 0.497 nan 8.150 nan 0.000 0.451 371 F N 0.859 120.715 119.950 -0.157 0.000 2.069 371 F HA -0.069 4.461 4.527 0.004 0.000 0.298 371 F C 2.388 177.946 175.800 -0.404 0.000 1.113 371 F CA 1.807 59.674 58.000 -0.222 0.000 1.214 371 F CB -0.790 38.118 39.000 -0.153 0.000 0.978 371 F HN 0.226 nan 8.300 nan 0.000 0.474 372 G N 0.698 109.355 108.800 -0.238 0.000 2.514 372 G HA2 -0.313 3.649 3.960 0.004 0.000 0.217 372 G HA3 -0.313 3.649 3.960 0.004 0.000 0.217 372 G C 1.631 176.292 174.900 -0.397 0.000 1.198 372 G CA 1.200 45.942 45.100 -0.596 0.000 0.780 372 G HN 0.286 nan 8.290 nan 0.000 0.565 373 M N 0.173 119.662 119.600 -0.185 0.000 2.240 373 M HA -0.207 4.276 4.480 0.004 0.000 0.250 373 M C 2.687 178.872 176.300 -0.191 0.000 1.075 373 M CA 1.468 56.690 55.300 -0.131 0.000 1.072 373 M CB -1.395 31.156 32.600 -0.082 0.000 1.305 373 M HN 0.172 nan 8.290 nan 0.000 0.414 374 V N -0.082 119.660 119.914 -0.286 0.000 2.244 374 V HA -0.213 3.909 4.120 0.004 0.000 0.244 374 V C 2.659 178.564 176.094 -0.315 0.000 1.042 374 V CA 1.945 64.062 62.300 -0.305 0.000 1.006 374 V CB -1.475 30.117 31.823 -0.385 0.000 0.641 374 V HN 0.569 nan 8.190 nan 0.000 0.446 375 A N -0.050 122.461 122.820 -0.516 0.000 1.986 375 A HA -0.191 4.132 4.320 0.004 0.000 0.220 375 A C 2.381 179.918 177.584 -0.077 0.000 1.171 375 A CA 2.195 54.028 52.037 -0.340 0.000 0.640 375 A CB -0.802 17.683 19.000 -0.860 0.000 0.811 375 A HN 0.359 nan 8.150 nan 0.000 0.451 376 V N 1.064 120.879 119.914 -0.165 0.000 2.287 376 V HA -0.303 3.819 4.120 0.004 0.000 0.248 376 V C 2.429 178.516 176.094 -0.012 0.000 1.053 376 V CA 2.380 64.659 62.300 -0.036 0.000 1.027 376 V CB -0.961 30.839 31.823 -0.039 0.000 0.646 376 V HN 0.923 nan 8.190 nan 0.000 0.447 377 E N -0.222 119.938 120.200 -0.066 0.000 2.478 377 E HA 0.026 4.379 4.350 0.004 0.000 0.194 377 E C 1.919 178.429 176.600 -0.150 0.000 1.045 377 E CA 0.386 56.734 56.400 -0.086 0.000 0.868 377 E CB -0.078 29.569 29.700 -0.088 0.000 0.885 377 E HN 0.540 nan 8.360 nan 0.000 0.505 378 L N -0.272 120.834 121.223 -0.195 0.000 2.354 378 L HA 0.163 4.506 4.340 0.004 0.000 0.212 378 L C 0.268 176.695 176.870 -0.739 0.000 1.091 378 L CA 0.357 54.900 54.840 -0.495 0.000 0.828 378 L CB 0.198 41.845 42.059 -0.688 0.000 0.973 378 L HN 0.071 nan 8.230 nan 0.000 0.461 379 F N 0.109 119.937 119.950 -0.203 0.000 2.531 379 F HA 0.328 4.857 4.527 0.004 0.000 0.333 379 F C -1.700 173.947 175.800 -0.256 0.000 1.292 379 F CA -2.267 55.531 58.000 -0.336 0.000 1.184 379 F CB 0.116 38.765 39.000 -0.586 0.000 1.426 379 F HN -0.164 nan 8.300 nan 0.000 0.559 380 P HA -0.150 nan 4.420 nan 0.000 0.242 380 P C 0.617 177.796 177.300 -0.202 0.000 1.197 380 P CA 0.946 63.986 63.100 -0.099 0.000 0.765 380 P CB 0.207 31.848 31.700 -0.097 0.000 0.936 381 Q N -1.698 117.996 119.800 -0.177 0.000 2.432 381 Q HA -0.046 4.296 4.340 0.004 0.000 0.205 381 Q C 1.401 177.414 176.000 0.023 0.000 0.945 381 Q CA 0.715 56.428 55.803 -0.149 0.000 0.924 381 Q CB -0.621 28.037 28.738 -0.135 0.000 1.016 381 Q HN 0.386 nan 8.270 nan 0.000 0.503 382 Y N -0.380 119.897 120.300 -0.039 0.000 2.481 382 Y HA 0.099 4.651 4.550 0.004 0.000 0.258 382 Y C -0.197 175.755 175.900 0.085 0.000 1.103 382 Y CA -0.712 57.411 58.100 0.038 0.000 1.287 382 Y CB 0.594 39.104 38.460 0.083 0.000 1.108 382 Y HN 0.212 nan 8.280 nan 0.000 0.529 383 H N 0.769 119.981 119.070 0.237 0.000 2.702 383 H HA -0.130 4.429 4.556 0.004 0.000 0.328 383 H C -0.599 174.819 175.328 0.150 0.000 1.111 383 H CA 0.475 56.612 56.048 0.149 0.000 1.109 383 H CB -1.772 28.057 29.762 0.112 0.000 1.606 383 H HN 0.323 nan 8.280 nan 0.000 0.399 384 L N 0.786 122.158 121.223 0.249 0.000 2.344 384 L HA 0.404 4.746 4.340 0.004 0.000 0.272 384 L C 0.898 177.879 176.870 0.185 0.000 1.035 384 L CA -0.379 54.602 54.840 0.234 0.000 0.807 384 L CB 1.810 44.029 42.059 0.267 0.000 1.237 384 L HN 0.333 nan 8.230 nan 0.000 0.442 385 E N 0.649 120.969 120.200 0.200 0.000 2.165 385 E HA 0.384 4.736 4.350 0.004 0.000 0.266 385 E C 0.258 176.993 176.600 0.226 0.000 0.889 385 E CA -0.398 56.095 56.400 0.154 0.000 0.756 385 E CB 1.962 31.726 29.700 0.108 0.000 1.131 385 E HN 0.708 nan 8.360 nan 0.000 0.411 386 A N 4.183 127.103 122.820 0.167 0.000 1.917 386 A HA -0.192 4.130 4.320 0.004 0.000 0.219 386 A C 1.933 179.675 177.584 0.263 0.000 1.182 386 A CA 2.086 54.240 52.037 0.195 0.000 0.633 386 A CB -1.201 17.849 19.000 0.082 0.000 0.819 386 A HN 0.872 nan 8.150 nan 0.000 0.448 387 G N -0.043 108.849 108.800 0.155 0.000 2.649 387 G HA2 -0.427 3.536 3.960 0.004 0.000 0.220 387 G HA3 -0.427 3.536 3.960 0.004 0.000 0.220 387 G C 1.835 176.796 174.900 0.102 0.000 1.189 387 G CA 2.998 48.161 45.100 0.104 0.000 0.777 387 G HN 0.915 nan 8.290 nan 0.000 0.602 388 T N -1.050 113.557 114.554 0.088 0.000 2.721 388 T HA -0.191 4.162 4.350 0.004 0.000 0.268 388 T C 2.105 176.798 174.700 -0.011 0.000 1.038 388 T CA 1.719 63.806 62.100 -0.022 0.000 1.145 388 T CB -0.540 68.279 68.868 -0.082 0.000 0.858 388 T HN 0.203 nan 8.240 nan 0.000 0.459 389 F N 1.823 121.865 119.950 0.153 0.000 2.407 389 F HA 0.396 4.926 4.527 0.004 0.000 0.299 389 F C 2.801 178.631 175.800 0.051 0.000 1.097 389 F CA 0.298 58.372 58.000 0.125 0.000 1.422 389 F CB -0.613 38.436 39.000 0.082 0.000 1.067 389 F HN 0.298 nan 8.300 nan 0.000 0.539 390 A N 0.134 123.065 122.820 0.186 0.000 1.872 390 A HA -0.063 4.260 4.320 0.004 0.000 0.214 390 A C 2.032 179.615 177.584 -0.001 0.000 1.187 390 A CA 1.331 53.420 52.037 0.088 0.000 0.614 390 A CB -0.793 18.250 19.000 0.071 0.000 0.826 390 A HN 0.208 nan 8.150 nan 0.000 0.442 391 I N 0.392 120.944 120.570 -0.029 0.000 2.315 391 I HA -0.173 3.999 4.170 0.004 0.000 0.248 391 I C 2.839 178.869 176.117 -0.145 0.000 1.117 391 I CA 1.129 62.371 61.300 -0.096 0.000 1.404 391 I CB -0.622 37.312 38.000 -0.111 0.000 1.071 391 I HN 0.305 nan 8.210 nan 0.000 0.419 392 A N 0.308 123.050 122.820 -0.130 0.000 1.865 392 A HA -0.110 4.213 4.320 0.004 0.000 0.217 392 A C 2.269 179.704 177.584 -0.248 0.000 1.191 392 A CA 1.883 53.816 52.037 -0.173 0.000 0.623 392 A CB -1.453 17.536 19.000 -0.018 0.000 0.826 392 A HN 0.438 nan 8.150 nan 0.000 0.444 393 G N -1.408 107.246 108.800 -0.243 0.000 3.327 393 G HA2 0.250 4.213 3.960 0.004 0.000 0.240 393 G HA3 0.250 4.213 3.960 0.004 0.000 0.240 393 G C 1.064 175.713 174.900 -0.418 0.000 1.222 393 G CA 0.486 45.277 45.100 -0.515 0.000 0.871 393 G HN 0.493 nan 8.290 nan 0.000 0.525 394 M N 0.280 119.716 119.600 -0.274 0.000 2.123 394 M HA 0.121 4.604 4.480 0.004 0.000 0.263 394 M C 2.069 178.209 176.300 -0.267 0.000 1.069 394 M CA 1.831 57.004 55.300 -0.212 0.000 1.133 394 M CB 0.191 32.686 32.600 -0.175 0.000 1.356 394 M HN 0.158 nan 8.290 nan 0.000 0.415 395 G N -1.117 107.502 108.800 -0.302 0.000 3.434 395 G HA2 0.381 4.343 3.960 0.004 0.000 0.258 395 G HA3 0.381 4.343 3.960 0.004 0.000 0.258 395 G C 1.067 175.771 174.900 -0.327 0.000 1.128 395 G CA 0.429 45.351 45.100 -0.296 0.000 0.792 395 G HN 0.564 nan 8.290 nan 0.000 0.539 396 A N 0.299 122.802 122.820 -0.530 0.000 2.014 396 A HA 0.142 4.465 4.320 0.004 0.000 0.218 396 A C 2.111 179.489 177.584 -0.343 0.000 1.163 396 A CA 0.622 52.231 52.037 -0.713 0.000 0.652 396 A CB -0.148 17.854 19.000 -1.664 0.000 0.808 396 A HN 0.383 nan 8.150 nan 0.000 0.449 397 L N -0.189 120.961 121.223 -0.121 0.000 2.044 397 L HA -0.033 4.310 4.340 0.004 0.000 0.205 397 L C 2.329 179.195 176.870 -0.007 0.000 1.075 397 L CA 1.510 56.448 54.840 0.164 0.000 0.747 397 L CB -0.979 41.150 42.059 0.117 0.000 0.903 397 L HN 0.418 nan 8.230 nan 0.000 0.435 398 L N 0.060 121.218 121.223 -0.108 0.000 2.013 398 L HA -0.247 4.096 4.340 0.004 0.000 0.212 398 L C 2.801 179.653 176.870 -0.030 0.000 1.073 398 L CA 1.513 56.301 54.840 -0.087 0.000 0.753 398 L CB -0.904 41.071 42.059 -0.140 0.000 0.890 398 L HN 0.303 nan 8.230 nan 0.000 0.432 399 A N -0.276 122.510 122.820 -0.056 0.000 1.940 399 A HA -0.149 4.173 4.320 0.004 0.000 0.219 399 A C 2.402 179.982 177.584 -0.008 0.000 1.176 399 A CA 1.962 53.976 52.037 -0.038 0.000 0.631 399 A CB -0.529 18.419 19.000 -0.088 0.000 0.814 399 A HN 0.459 nan 8.150 nan 0.000 0.446 400 A N -1.931 120.907 122.820 0.029 0.000 2.044 400 A HA 0.233 4.556 4.320 0.004 0.000 0.213 400 A C 2.260 179.866 177.584 0.037 0.000 1.169 400 A CA 1.540 53.607 52.037 0.051 0.000 0.724 400 A CB -0.411 18.670 19.000 0.134 0.000 0.840 400 A HN 0.489 nan 8.150 nan 0.000 0.463 401 S N 0.188 115.910 115.700 0.037 0.000 2.357 401 S HA 0.021 4.494 4.470 0.004 0.000 0.209 401 S C 1.796 176.394 174.600 -0.003 0.000 1.023 401 S CA 0.889 59.109 58.200 0.033 0.000 0.933 401 S CB -0.467 62.763 63.200 0.049 0.000 0.897 401 S HN 0.655 nan 8.310 nan 0.000 0.529 402 I N -0.720 119.822 120.570 -0.046 0.000 3.564 402 I HA 0.329 4.502 4.170 0.004 0.000 0.294 402 I C -0.011 176.125 176.117 0.031 0.000 1.289 402 I CA 0.049 61.301 61.300 -0.081 0.000 1.325 402 I CB -0.537 37.328 38.000 -0.224 0.000 1.039 402 I HN 0.198 nan 8.210 nan 0.000 0.474 403 R N 1.548 122.066 120.500 0.029 0.000 3.158 403 R HA -0.165 4.178 4.340 0.004 0.000 0.244 403 R C -0.082 176.254 176.300 0.059 0.000 0.900 403 R CA 0.514 56.633 56.100 0.032 0.000 0.618 403 R CB -1.768 28.543 30.300 0.018 0.000 1.061 403 R HN 0.674 nan 8.270 nan 0.000 0.471 404 A N 0.008 122.883 122.820 0.091 0.000 3.317 404 A HA 0.442 4.764 4.320 0.004 0.000 0.307 404 A C -1.858 175.786 177.584 0.100 0.000 1.003 404 A CA -1.278 50.838 52.037 0.130 0.000 0.882 404 A CB 0.850 20.011 19.000 0.268 0.000 1.136 404 A HN 0.053 nan 8.150 nan 0.000 0.488 405 P HA -0.224 nan 4.420 nan 0.000 0.214 405 P C 1.770 179.075 177.300 0.009 0.000 1.169 405 P CA 0.921 64.021 63.100 -0.000 0.000 0.908 405 P CB 0.236 31.923 31.700 -0.023 0.000 0.791 406 L N -0.889 120.349 121.223 0.025 0.000 2.021 406 L HA -0.219 4.124 4.340 0.004 0.000 0.215 406 L C 2.119 179.021 176.870 0.053 0.000 1.074 406 L CA 2.274 57.132 54.840 0.029 0.000 0.760 406 L CB -1.581 40.500 42.059 0.037 0.000 0.889 406 L HN -0.004 nan 8.230 nan 0.000 0.433 407 T N -0.918 113.701 114.554 0.108 0.000 2.833 407 T HA -0.093 4.259 4.350 0.004 0.000 0.269 407 T C 1.635 176.391 174.700 0.094 0.000 1.054 407 T CA 1.095 63.284 62.100 0.148 0.000 1.135 407 T CB -0.751 68.297 68.868 0.300 0.000 0.869 407 T HN 0.620 nan 8.240 nan 0.000 0.466 408 G N 2.099 110.933 108.800 0.056 0.000 2.434 408 G HA2 -0.121 3.841 3.960 0.004 0.000 0.214 408 G HA3 -0.121 3.841 3.960 0.004 0.000 0.214 408 G C 1.447 176.303 174.900 -0.072 0.000 1.202 408 G CA 0.440 45.519 45.100 -0.035 0.000 0.788 408 G HN 0.352 nan 8.290 nan 0.000 0.539 409 I N 1.037 121.566 120.570 -0.068 0.000 2.091 409 I HA -0.170 4.002 4.170 0.004 0.000 0.239 409 I C 2.798 178.879 176.117 -0.059 0.000 1.061 409 I CA 1.160 62.409 61.300 -0.085 0.000 1.317 409 I CB -1.207 36.747 38.000 -0.076 0.000 1.031 409 I HN 0.062 nan 8.210 nan 0.000 0.401 410 I N 0.233 120.791 120.570 -0.020 0.000 2.226 410 I HA -0.260 3.912 4.170 0.004 0.000 0.245 410 I C 2.441 178.550 176.117 -0.013 0.000 1.100 410 I CA 1.049 62.347 61.300 -0.004 0.000 1.374 410 I CB -0.724 37.286 38.000 0.017 0.000 1.057 410 I HN 0.167 nan 8.210 nan 0.000 0.413 411 L N -0.315 120.904 121.223 -0.008 0.000 2.042 411 L HA -0.177 4.165 4.340 0.004 0.000 0.210 411 L C 2.429 179.249 176.870 -0.083 0.000 1.076 411 L CA 1.757 56.592 54.840 -0.008 0.000 0.749 411 L CB -0.593 41.483 42.059 0.027 0.000 0.893 411 L HN 0.049 nan 8.230 nan 0.000 0.432 412 V N -0.454 119.389 119.914 -0.118 0.000 2.216 412 V HA -0.296 3.827 4.120 0.004 0.000 0.242 412 V C 2.500 178.528 176.094 -0.111 0.000 1.042 412 V CA 1.833 64.045 62.300 -0.147 0.000 0.991 412 V CB -0.850 30.876 31.823 -0.162 0.000 0.633 412 V HN 0.571 nan 8.190 nan 0.000 0.449 413 L N 0.363 121.534 121.223 -0.087 0.000 2.123 413 L HA -0.282 4.060 4.340 0.004 0.000 0.217 413 L C 2.415 179.262 176.870 -0.037 0.000 1.081 413 L CA 2.171 56.981 54.840 -0.050 0.000 0.772 413 L CB -0.859 41.195 42.059 -0.009 0.000 0.890 413 L HN 0.406 nan 8.230 nan 0.000 0.437 414 E N -0.131 120.045 120.200 -0.040 0.000 2.118 414 E HA -0.201 4.152 4.350 0.004 0.000 0.195 414 E C 1.761 178.328 176.600 -0.055 0.000 0.992 414 E CA 2.004 58.384 56.400 -0.034 0.000 0.804 414 E CB -0.194 29.494 29.700 -0.020 0.000 0.741 414 E HN 0.814 nan 8.360 nan 0.000 0.458 415 M N -2.507 117.039 119.600 -0.090 0.000 2.596 415 M HA 0.338 4.821 4.480 0.004 0.000 0.364 415 M C 1.004 177.227 176.300 -0.128 0.000 1.158 415 M CA 0.027 55.256 55.300 -0.119 0.000 0.940 415 M CB 1.299 33.792 32.600 -0.178 0.000 1.388 415 M HN -0.268 nan 8.290 nan 0.000 0.522 416 T N -0.631 113.861 114.554 -0.103 0.000 3.010 416 T HA 0.059 4.412 4.350 0.004 0.000 0.252 416 T C 0.191 174.848 174.700 -0.071 0.000 0.963 416 T CA 0.577 62.617 62.100 -0.099 0.000 0.952 416 T CB 0.214 69.016 68.868 -0.110 0.000 1.182 416 T HN 0.597 nan 8.240 nan 0.000 0.495 417 D N 1.838 122.206 120.400 -0.054 0.000 2.705 417 D HA -0.140 4.502 4.640 0.004 0.000 0.240 417 D C -0.842 175.446 176.300 -0.020 0.000 1.137 417 D CA 0.420 54.404 54.000 -0.028 0.000 0.677 417 D CB -1.645 39.137 40.800 -0.030 0.000 1.049 417 D HN 0.401 nan 8.370 nan 0.000 0.427 418 N N 0.748 119.430 118.700 -0.030 0.000 2.844 418 N HA 0.152 4.894 4.740 0.004 0.000 0.268 418 N C 0.273 175.755 175.510 -0.047 0.000 1.574 418 N CA -0.540 52.485 53.050 -0.041 0.000 0.838 418 N CB 0.177 38.615 38.487 -0.081 0.000 1.177 418 N HN 0.180 nan 8.380 nan 0.000 0.495 419 Y N 1.706 121.953 120.300 -0.089 0.000 2.384 419 Y HA -0.278 4.274 4.550 0.004 0.000 0.289 419 Y C 2.144 177.980 175.900 -0.105 0.000 1.152 419 Y CA 1.747 59.792 58.100 -0.092 0.000 1.258 419 Y CB 0.211 38.628 38.460 -0.072 0.000 0.979 419 Y HN 0.484 nan 8.280 nan 0.000 0.549 420 Q N -0.291 119.457 119.800 -0.085 0.000 2.197 420 Q HA -0.214 4.128 4.340 0.004 0.000 0.207 420 Q C 1.334 177.166 176.000 -0.279 0.000 0.984 420 Q CA 2.104 57.825 55.803 -0.137 0.000 0.869 420 Q CB -0.740 27.946 28.738 -0.086 0.000 0.906 420 Q HN 0.554 nan 8.270 nan 0.000 0.426 421 L N -0.003 121.027 121.223 -0.322 0.000 2.653 421 L HA 0.155 4.498 4.340 0.004 0.000 0.231 421 L C 1.703 178.296 176.870 -0.461 0.000 1.153 421 L CA -0.471 54.130 54.840 -0.399 0.000 0.933 421 L CB -0.003 41.845 42.059 -0.351 0.000 1.175 421 L HN 0.121 nan 8.230 nan 0.000 0.473 422 I N 0.260 120.485 120.570 -0.574 0.000 2.335 422 I HA -0.286 3.886 4.170 0.004 0.000 0.251 422 I C 2.047 177.903 176.117 -0.436 0.000 1.129 422 I CA 1.512 62.461 61.300 -0.586 0.000 1.402 422 I CB 0.058 37.435 38.000 -1.037 0.000 1.069 422 I HN 0.210 nan 8.210 nan 0.000 0.424 423 L N 1.054 122.020 121.223 -0.427 0.000 2.007 423 L HA 0.018 4.361 4.340 0.004 0.000 0.205 423 L C -0.443 176.204 176.870 -0.371 0.000 1.073 423 L CA 2.091 56.734 54.840 -0.328 0.000 0.744 423 L CB -1.942 39.950 42.059 -0.278 0.000 0.898 423 L HN 0.103 nan 8.230 nan 0.000 0.435 424 P HA -0.157 nan 4.420 nan 0.000 0.218 424 P C 1.986 178.983 177.300 -0.504 0.000 1.148 424 P CA 1.576 64.209 63.100 -0.777 0.000 0.822 424 P CB -0.096 30.606 31.700 -1.664 0.000 0.784 425 M N -1.881 117.463 119.600 -0.426 0.000 2.117 425 M HA -0.139 4.344 4.480 0.004 0.000 0.262 425 M C 2.029 178.188 176.300 -0.234 0.000 1.065 425 M CA 1.853 56.969 55.300 -0.305 0.000 1.114 425 M CB -0.888 31.546 32.600 -0.277 0.000 1.361 425 M HN -0.022 nan 8.290 nan 0.000 0.408 426 I N 0.235 120.676 120.570 -0.214 0.000 2.235 426 I HA -0.224 3.949 4.170 0.004 0.000 0.241 426 I C 2.329 178.369 176.117 -0.128 0.000 1.085 426 I CA 1.001 62.210 61.300 -0.152 0.000 1.378 426 I CB -0.370 37.553 38.000 -0.129 0.000 1.076 426 I HN 0.182 nan 8.210 nan 0.000 0.415 427 I N 0.779 121.269 120.570 -0.132 0.000 2.229 427 I HA -0.360 3.813 4.170 0.004 0.000 0.250 427 I C 2.459 178.538 176.117 -0.063 0.000 1.096 427 I CA 1.677 62.930 61.300 -0.078 0.000 1.358 427 I CB -0.653 37.306 38.000 -0.068 0.000 1.047 427 I HN 0.342 nan 8.210 nan 0.000 0.422 428 T N 0.154 114.649 114.554 -0.099 0.000 2.671 428 T HA -0.054 4.298 4.350 0.004 0.000 0.250 428 T C 1.933 176.550 174.700 -0.137 0.000 1.068 428 T CA 1.325 63.357 62.100 -0.112 0.000 1.177 428 T CB -0.897 67.871 68.868 -0.167 0.000 0.876 428 T HN 0.520 nan 8.240 nan 0.000 0.405 429 G N 1.219 109.913 108.800 -0.176 0.000 2.517 429 G HA2 -0.208 3.755 3.960 0.004 0.000 0.222 429 G HA3 -0.208 3.755 3.960 0.004 0.000 0.222 429 G C 1.528 176.366 174.900 -0.102 0.000 1.109 429 G CA 0.940 45.944 45.100 -0.159 0.000 0.746 429 G HN 0.352 nan 8.290 nan 0.000 0.576 430 L N 0.859 122.031 121.223 -0.084 0.000 2.068 430 L HA 0.278 4.621 4.340 0.004 0.000 0.204 430 L C 2.842 179.678 176.870 -0.058 0.000 1.076 430 L CA 1.991 56.794 54.840 -0.061 0.000 0.753 430 L CB -0.763 41.269 42.059 -0.046 0.000 0.910 430 L HN 0.130 nan 8.230 nan 0.000 0.439 431 G N -1.313 107.460 108.800 -0.044 0.000 2.509 431 G HA2 -0.155 3.808 3.960 0.004 0.000 0.218 431 G HA3 -0.155 3.808 3.960 0.004 0.000 0.218 431 G C 1.461 176.337 174.900 -0.040 0.000 1.124 431 G CA 0.593 45.676 45.100 -0.029 0.000 0.776 431 G HN 0.554 nan 8.290 nan 0.000 0.547 432 A N -0.026 122.769 122.820 -0.042 0.000 2.119 432 A HA 0.184 4.506 4.320 0.004 0.000 0.216 432 A C 2.288 179.847 177.584 -0.042 0.000 1.152 432 A CA 1.861 53.894 52.037 -0.008 0.000 0.708 432 A CB -0.129 18.865 19.000 -0.011 0.000 0.805 432 A HN 0.234 nan 8.150 nan 0.000 0.460 433 T N -0.405 114.099 114.554 -0.084 0.000 3.037 433 T HA 0.229 4.581 4.350 0.004 0.000 0.251 433 T C 1.628 176.198 174.700 -0.217 0.000 1.079 433 T CA 0.225 62.259 62.100 -0.109 0.000 1.067 433 T CB -0.025 68.793 68.868 -0.083 0.000 0.948 433 T HN 0.296 nan 8.240 nan 0.000 0.496 434 L N 0.664 121.723 121.223 -0.273 0.000 2.013 434 L HA 0.116 4.458 4.340 0.004 0.000 0.204 434 L C 2.132 178.551 176.870 -0.753 0.000 1.081 434 L CA 0.681 55.162 54.840 -0.598 0.000 0.751 434 L CB -0.556 41.273 42.059 -0.384 0.000 0.901 434 L HN 0.163 nan 8.230 nan 0.000 0.440 435 L N 0.447 121.468 121.223 -0.338 0.000 2.551 435 L HA -0.145 4.197 4.340 0.004 0.000 0.230 435 L C 2.125 178.916 176.870 -0.132 0.000 1.163 435 L CA 1.204 55.951 54.840 -0.155 0.000 0.826 435 L CB -1.499 40.561 42.059 0.002 0.000 0.943 435 L HN 0.283 nan 8.230 nan 0.000 0.452 436 A N -1.668 121.043 122.820 -0.182 0.000 2.345 436 A HA 0.012 4.335 4.320 0.004 0.000 0.225 436 A C 2.065 179.576 177.584 -0.122 0.000 1.243 436 A CA 0.083 52.058 52.037 -0.103 0.000 0.875 436 A CB 0.140 19.102 19.000 -0.063 0.000 0.929 436 A HN 0.448 nan 8.150 nan 0.000 0.502 437 Q N -1.401 118.253 119.800 -0.242 0.000 2.548 437 Q HA 0.112 4.454 4.340 0.004 0.000 0.230 437 Q C 0.435 176.459 176.000 0.040 0.000 0.899 437 Q CA 0.315 56.030 55.803 -0.146 0.000 0.936 437 Q CB 0.148 28.734 28.738 -0.253 0.000 1.114 437 Q HN 0.501 nan 8.270 nan 0.000 0.606 438 F N 1.255 121.221 119.950 0.026 0.000 2.722 438 F HA 0.044 4.573 4.527 0.004 0.000 0.298 438 F C 1.666 177.480 175.800 0.022 0.000 1.175 438 F CA 1.174 59.189 58.000 0.025 0.000 1.462 438 F CB -0.540 38.476 39.000 0.027 0.000 1.111 438 F HN 0.165 nan 8.300 nan 0.000 0.592 439 T N -3.985 110.651 114.554 0.137 0.000 3.091 439 T HA 0.436 4.789 4.350 0.004 0.000 0.277 439 T C 1.111 175.841 174.700 0.049 0.000 0.996 439 T CA 0.083 62.231 62.100 0.080 0.000 0.897 439 T CB 0.025 68.917 68.868 0.041 0.000 1.109 439 T HN 0.344 nan 8.240 nan 0.000 0.534 440 G N 0.692 109.529 108.800 0.061 0.000 2.342 440 G HA2 0.205 4.168 3.960 0.004 0.000 0.267 440 G HA3 0.205 4.168 3.960 0.004 0.000 0.267 440 G C 0.251 175.161 174.900 0.017 0.000 0.922 440 G CA -0.195 44.932 45.100 0.045 0.000 1.342 440 G HN 0.992 nan 8.290 nan 0.000 0.430 441 G N 0.133 108.937 108.800 0.006 0.000 2.932 441 G HA2 0.860 4.823 3.960 0.004 0.000 0.283 441 G HA3 0.860 4.823 3.960 0.004 0.000 0.283 441 G C -0.468 174.440 174.900 0.013 0.000 1.336 441 G CA -0.920 44.177 45.100 -0.006 0.000 1.056 441 G HN 0.592 nan 8.290 nan 0.000 0.522 442 K N -0.395 120.016 120.400 0.018 0.000 2.532 442 K HA 0.335 4.657 4.320 0.004 0.000 0.265 442 K C -2.878 173.750 176.600 0.048 0.000 0.948 442 K CA -1.655 54.656 56.287 0.041 0.000 0.842 442 K CB 2.989 35.520 32.500 0.051 0.000 1.392 442 K HN 0.099 nan 8.250 nan 0.000 0.436 443 P HA -0.074 nan 4.420 nan 0.000 0.257 443 P C 0.943 178.301 177.300 0.096 0.000 1.269 443 P CA -0.006 63.139 63.100 0.076 0.000 1.122 443 P CB 0.099 31.857 31.700 0.097 0.000 1.285 444 L N 3.373 124.630 121.223 0.056 0.000 2.151 444 L HA -0.271 4.072 4.340 0.004 0.000 0.219 444 L C 1.283 178.262 176.870 0.182 0.000 1.083 444 L CA 2.300 57.183 54.840 0.072 0.000 0.782 444 L CB -0.976 41.084 42.059 0.001 0.000 0.891 444 L HN 0.445 nan 8.230 nan 0.000 0.439 445 Y N -1.183 119.193 120.300 0.127 0.000 2.373 445 Y HA -0.169 4.383 4.550 0.004 0.000 0.293 445 Y C 2.681 178.633 175.900 0.088 0.000 1.129 445 Y CA 0.658 58.829 58.100 0.117 0.000 1.226 445 Y CB 0.219 38.743 38.460 0.106 0.000 1.000 445 Y HN 0.262 nan 8.280 nan 0.000 0.549 446 S N -0.255 115.587 115.700 0.237 0.000 2.371 446 S HA -0.058 4.414 4.470 0.004 0.000 0.219 446 S C 2.265 176.943 174.600 0.130 0.000 1.040 446 S CA 0.645 58.940 58.200 0.158 0.000 0.958 446 S CB -0.434 62.855 63.200 0.149 0.000 0.860 446 S HN 0.456 nan 8.310 nan 0.000 0.487 447 A N 1.468 124.363 122.820 0.124 0.000 2.054 447 A HA -0.147 4.175 4.320 0.004 0.000 0.223 447 A C 1.904 179.548 177.584 0.100 0.000 1.169 447 A CA 1.373 53.468 52.037 0.097 0.000 0.655 447 A CB -0.849 18.202 19.000 0.086 0.000 0.812 447 A HN 0.538 nan 8.150 nan 0.000 0.462 448 I N -1.551 119.103 120.570 0.140 0.000 2.716 448 I HA -0.114 4.059 4.170 0.004 0.000 0.259 448 I C 2.271 178.444 176.117 0.093 0.000 1.172 448 I CA 0.526 61.907 61.300 0.135 0.000 1.478 448 I CB -0.107 38.024 38.000 0.218 0.000 1.104 448 I HN 0.367 nan 8.210 nan 0.000 0.439 449 L N 1.243 122.519 121.223 0.088 0.000 2.044 449 L HA -0.009 4.334 4.340 0.004 0.000 0.205 449 L C 2.630 179.522 176.870 0.037 0.000 1.075 449 L CA 1.974 56.845 54.840 0.051 0.000 0.747 449 L CB -0.827 41.259 42.059 0.045 0.000 0.903 449 L HN 0.157 nan 8.230 nan 0.000 0.435 450 A N 0.072 122.917 122.820 0.042 0.000 1.870 450 A HA -0.292 4.031 4.320 0.004 0.000 0.219 450 A C 2.360 179.957 177.584 0.022 0.000 1.224 450 A CA 2.279 54.331 52.037 0.026 0.000 0.650 450 A CB -0.713 18.306 19.000 0.031 0.000 0.836 450 A HN 0.471 nan 8.150 nan 0.000 0.454 451 R N -1.168 119.350 120.500 0.030 0.000 2.103 451 R HA -0.148 4.195 4.340 0.004 0.000 0.234 451 R C 2.214 178.522 176.300 0.014 0.000 1.132 451 R CA 1.904 58.017 56.100 0.021 0.000 0.925 451 R CB -1.725 28.591 30.300 0.026 0.000 0.842 451 R HN 0.560 nan 8.270 nan 0.000 0.430 452 T N 0.786 115.350 114.554 0.017 0.000 3.320 452 T HA -0.010 4.343 4.350 0.004 0.000 0.262 452 T C 1.297 176.000 174.700 0.006 0.000 1.187 452 T CA 0.402 62.508 62.100 0.009 0.000 1.038 452 T CB -0.117 68.757 68.868 0.011 0.000 0.939 452 T HN 0.034 nan 8.240 nan 0.000 0.550 453 L N -0.489 120.738 121.223 0.007 0.000 2.641 453 L HA 0.605 4.948 4.340 0.004 0.000 0.207 453 L C 2.358 179.230 176.870 0.002 0.000 1.049 453 L CA 0.920 55.761 54.840 0.003 0.000 0.866 453 L CB -0.749 41.311 42.059 0.001 0.000 1.264 453 L HN 0.117 nan 8.230 nan 0.000 0.483 454 A N -0.633 122.189 122.820 0.004 0.000 2.015 454 A HA -0.176 4.147 4.320 0.004 0.000 0.219 454 A C 2.109 179.697 177.584 0.007 0.000 1.163 454 A CA 1.578 53.617 52.037 0.003 0.000 0.646 454 A CB -0.425 18.578 19.000 0.004 0.000 0.806 454 A HN 0.321 nan 8.150 nan 0.000 0.448 455 K N -0.949 119.456 120.400 0.007 0.000 2.437 455 K HA 0.064 4.387 4.320 0.004 0.000 0.198 455 K C 1.555 178.161 176.600 0.010 0.000 1.024 455 K CA 0.463 56.756 56.287 0.010 0.000 1.148 455 K CB 0.120 32.624 32.500 0.007 0.000 0.860 455 K HN 0.394 nan 8.250 nan 0.000 0.515 456 Q N 0.306 120.110 119.800 0.008 0.000 2.391 456 Q HA 0.029 4.371 4.340 0.004 0.000 0.243 456 Q C 1.426 177.431 176.000 0.007 0.000 0.874 456 Q CA 0.674 56.481 55.803 0.007 0.000 0.950 456 Q CB 0.409 29.149 28.738 0.004 0.000 1.103 456 Q HN 0.379 nan 8.270 nan 0.000 0.544 457 E N -0.455 119.749 120.200 0.006 0.000 2.051 457 E HA 0.002 4.355 4.350 0.004 0.000 0.189 457 E C 0.617 177.221 176.600 0.008 0.000 0.979 457 E CA 0.823 57.226 56.400 0.005 0.000 0.803 457 E CB -0.064 29.637 29.700 0.003 0.000 0.761 457 E HN 0.309 nan 8.360 nan 0.000 0.451 458 A N 0.935 123.761 122.820 0.010 0.000 2.324 458 A HA 0.006 4.329 4.320 0.004 0.000 0.240 458 A C 1.067 178.660 177.584 0.015 0.000 1.347 458 A CA 0.294 52.338 52.037 0.012 0.000 1.036 458 A CB -0.319 18.689 19.000 0.014 0.000 0.917 458 A HN 0.373 nan 8.150 nan 0.000 0.519 459 E N -0.840 119.369 120.200 0.014 0.000 2.789 459 E HA 0.109 4.462 4.350 0.004 0.000 0.217 459 E C 0.007 176.614 176.600 0.012 0.000 0.970 459 E CA 0.056 56.465 56.400 0.015 0.000 1.201 459 E CB 0.233 29.944 29.700 0.017 0.000 1.069 459 E HN 0.653 nan 8.360 nan 0.000 0.499 460 Q N 1.013 120.819 119.800 0.010 0.000 2.217 460 Q HA 0.357 4.700 4.340 0.004 0.000 0.340 460 Q C -0.410 175.594 176.000 0.008 0.000 0.893 460 Q CA -0.071 55.737 55.803 0.008 0.000 1.142 460 Q CB 1.141 29.884 28.738 0.007 0.000 1.288 460 Q HN 0.172 nan 8.270 nan 0.000 0.426 461 L N 0.000 121.228 121.223 0.008 0.000 2.949 461 L HA 0.000 4.343 4.340 0.004 0.000 0.249 461 L CA 0.000 54.845 54.840 0.008 0.000 0.813 461 L CB 0.000 42.064 42.059 0.009 0.000 0.961 461 L HN 0.000 nan 8.230 nan 0.000 0.502