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_B 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 1.117 123.935 122.820 -0.003 0.000 1.845 13 A HA -0.011 4.308 4.320 -0.001 0.000 0.215 13 A C 2.064 179.645 177.584 -0.004 0.000 1.195 13 A CA 2.106 54.141 52.037 -0.003 0.000 0.616 13 A CB -0.581 18.418 19.000 -0.002 0.000 0.832 13 A HN 0.383 nan 8.150 nan 0.000 0.443 14 A N -0.381 122.437 122.820 -0.004 0.000 1.840 14 A HA -0.050 4.269 4.320 -0.001 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 -0.469 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 -0.866 119.632 120.500 -0.004 0.000 2.377 15 R HA -0.005 4.334 4.340 -0.001 0.000 0.207 15 R C 1.446 177.743 176.300 -0.005 0.000 1.075 15 R CA 0.710 56.807 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 -0.075 121.144 121.223 -0.006 0.000 2.388 16 L HA 0.097 4.437 4.340 -0.001 0.000 0.209 16 L C 1.946 178.811 176.870 -0.009 0.000 1.061 16 L CA 0.994 55.830 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 -0.250 120.244 120.500 -0.010 0.000 2.113 17 R HA -0.209 4.130 4.340 -0.001 0.000 0.244 17 R C 2.270 178.562 176.300 -0.013 0.000 1.142 17 R CA 2.075 58.166 56.100 -0.014 0.000 0.953 17 R CB -0.532 29.759 30.300 -0.013 0.000 0.860 17 R HN 0.366 nan 8.270 nan 0.000 0.438 18 R N 0.470 120.965 120.500 -0.010 0.000 2.112 18 R HA -0.161 4.178 4.340 -0.001 0.000 0.242 18 R C 2.313 178.608 176.300 -0.009 0.000 1.137 18 R CA 1.765 57.860 56.100 -0.009 0.000 0.944 18 R CB -0.402 29.894 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 4.168 4.340 -0.001 0.000 0.234 19 R C 2.217 178.511 176.300 -0.009 0.000 1.127 19 R CA 1.332 57.427 56.100 -0.008 0.000 0.989 19 R CB -0.125 30.171 30.300 -0.007 0.000 0.869 19 R HN 0.479 nan 8.270 nan 0.000 0.459 20 Q N 0.324 120.116 119.800 -0.012 0.000 1.990 20 Q HA 0.007 4.347 4.340 -0.001 0.000 0.195 20 Q C 2.272 178.263 176.000 -0.016 0.000 0.977 20 Q CA 0.693 56.487 55.803 -0.016 0.000 0.828 20 Q CB -0.085 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 0.956 122.168 121.223 -0.017 0.000 1.976 21 L HA -0.308 4.031 4.340 -0.001 0.000 0.223 21 L C 2.483 179.346 176.870 -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 -0.821 119.744 120.570 -0.009 0.000 2.236 22 I HA -0.339 3.830 4.170 -0.001 0.000 0.249 22 I C 2.759 178.872 176.117 -0.006 0.000 1.102 22 I CA 1.410 62.706 61.300 -0.007 0.000 1.365 22 I CB -0.466 37.531 38.000 -0.006 0.000 1.051 22 I HN 0.293 nan 8.210 nan 0.000 0.420 23 R N 0.190 120.686 120.500 -0.007 0.000 2.119 23 R HA -0.094 4.246 4.340 -0.001 0.000 0.222 23 R C 2.286 178.583 176.300 -0.005 0.000 1.088 23 R CA 0.961 57.057 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 0.355 120.151 119.800 -0.008 0.000 2.036 24 Q HA -0.018 4.322 4.340 -0.001 0.000 0.195 24 Q C 2.283 178.281 176.000 -0.002 0.000 0.971 24 Q CA 0.853 56.653 55.803 -0.006 0.000 0.826 24 Q CB -0.047 28.682 28.738 -0.014 0.000 0.896 24 Q HN 0.227 nan 8.270 nan 0.000 0.449 25 L N 0.893 122.114 121.223 -0.004 0.000 1.965 25 L HA -0.267 4.072 4.340 -0.001 0.000 0.226 25 L C 2.292 179.161 176.870 -0.001 0.000 1.083 25 L CA 1.402 56.241 54.840 -0.001 0.000 0.790 25 L CB -0.847 41.210 42.059 -0.003 0.000 0.898 25 L HN 0.303 nan 8.230 nan 0.000 0.439 26 L N -0.418 120.804 121.223 -0.002 0.000 2.651 26 L HA -0.178 4.162 4.340 -0.001 0.000 0.236 26 L C 1.843 178.712 176.870 -0.002 0.000 1.173 26 L CA 0.538 55.376 54.840 -0.003 0.000 0.843 26 L CB -0.438 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 -0.145 120.055 120.200 0.000 0.000 2.539 27 E HA 0.044 4.394 4.350 -0.001 0.000 0.215 27 E C 0.936 177.539 176.600 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 30.138 29.700 0.002 0.000 1.059 27 E HN 0.184 nan 8.360 nan 0.000 0.496 28 R N 1.151 121.655 120.500 0.006 0.000 2.678 28 R HA -0.074 4.266 4.340 -0.001 0.000 0.264 28 R C -0.639 175.666 176.300 0.008 0.000 0.995 28 R CA 1.240 57.347 56.100 0.011 0.000 1.098 28 R CB 0.075 30.381 30.300 0.010 0.000 0.949 28 R HN 0.051 nan 8.270 nan 0.000 0.422 29 D N 1.093 121.501 120.400 0.013 0.000 3.092 29 D HA -0.111 4.528 4.640 -0.001 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 0.873 121.282 120.400 0.016 0.000 2.263 30 K HA 0.612 4.931 4.320 -0.001 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 1.204 33.717 32.500 0.021 0.000 1.107 30 K HN 0.086 nan 8.250 nan 0.000 0.460 31 T N 5.607 120.166 114.554 0.009 0.000 3.187 31 T HA 0.268 4.618 4.350 -0.001 0.000 0.328 31 T C -2.737 171.968 174.700 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 -0.519 62.587 63.100 0.009 0.000 0.763 32 P CB 0.478 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 4.048 4.340 -0.001 0.000 0.217 33 L C 1.837 178.732 176.870 0.043 0.000 1.104 33 L CA 2.401 57.256 54.840 0.025 0.000 0.772 33 L CB -0.937 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 -0.802 122.031 122.820 0.022 0.000 1.975 34 A HA -0.007 4.313 4.320 -0.001 0.000 0.215 34 A C 2.203 179.814 177.584 0.045 0.000 1.170 34 A CA 1.331 53.383 52.037 0.025 0.000 0.656 34 A CB -0.566 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 -0.068 120.519 120.570 0.027 0.000 2.286 35 I HA -0.253 3.917 4.170 -0.001 0.000 0.248 35 I C 2.318 178.446 176.117 0.019 0.000 1.115 35 I CA 0.954 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 -0.156 121.088 121.223 0.036 0.000 1.961 36 L HA -0.230 4.109 4.340 -0.001 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 -0.900 41.183 42.059 0.041 0.000 0.890 36 L HN 0.138 nan 8.230 nan 0.000 0.433 37 F N 0.046 119.958 119.950 -0.063 0.000 2.225 37 F HA -0.335 4.192 4.527 -0.001 0.000 0.302 37 F C 2.417 178.141 175.800 -0.127 0.000 1.068 37 F CA 1.624 59.574 58.000 -0.084 0.000 1.327 37 F CB 0.010 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 0.147 119.764 119.600 0.029 0.000 2.216 38 M HA 0.127 4.606 4.480 -0.001 0.000 0.264 38 M C 2.348 178.563 176.300 -0.142 0.000 1.080 38 M CA 1.733 56.978 55.300 -0.091 0.000 1.153 38 M CB -0.950 31.609 32.600 -0.068 0.000 1.356 38 M HN 0.096 nan 8.290 nan 0.000 0.432 39 A N -0.248 122.516 122.820 -0.093 0.000 1.978 39 A HA -0.012 4.307 4.320 -0.001 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 -0.749 121.968 122.820 -0.172 0.000 2.024 40 A HA 0.036 4.356 4.320 -0.001 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 3.999 4.120 -0.001 0.000 0.243 41 V C 2.484 178.492 176.094 -0.143 0.000 1.039 41 V CA 1.393 63.555 62.300 -0.230 0.000 1.053 41 V CB -0.427 31.244 31.823 -0.253 0.000 0.695 41 V HN 0.326 nan 8.190 nan 0.000 0.463 42 V N 1.431 121.266 119.914 -0.131 0.000 2.392 42 V HA -0.232 3.887 4.120 -0.001 0.000 0.249 42 V C 2.618 178.655 176.094 -0.096 0.000 1.059 42 V CA 2.364 64.602 62.300 -0.104 0.000 1.051 42 V CB -1.428 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 -0.504 108.237 108.800 -0.097 0.000 2.404 43 G HA2 -0.227 3.733 3.960 -0.001 0.000 0.215 43 G HA3 -0.227 3.733 3.960 -0.001 0.000 0.215 43 G C 1.671 176.528 174.900 -0.071 0.000 1.174 43 G CA 1.406 46.456 45.100 -0.083 0.000 0.780 43 G HN 0.468 nan 8.290 nan 0.000 0.537 44 T N 1.090 115.598 114.554 -0.076 0.000 2.803 44 T HA -0.066 4.283 4.350 -0.001 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 0.082 121.270 121.223 -0.058 0.000 2.185 45 L HA 0.171 4.510 4.340 -0.001 0.000 0.198 45 L C 2.616 179.438 176.870 -0.081 0.000 1.079 45 L CA 0.856 55.662 54.840 -0.056 0.000 0.780 45 L CB -1.076 40.955 42.059 -0.047 0.000 0.955 45 L HN 0.045 nan 8.230 nan 0.000 0.462 46 V N 0.284 120.143 119.914 -0.092 0.000 2.317 46 V HA -0.315 3.804 4.120 -0.001 0.000 0.251 46 V C 2.471 178.492 176.094 -0.122 0.000 1.065 46 V CA 2.179 64.409 62.300 -0.117 0.000 1.049 46 V CB -1.458 30.296 31.823 -0.116 0.000 0.651 46 V HN 0.599 nan 8.190 nan 0.000 0.450 47 G N -0.805 107.941 108.800 -0.091 0.000 2.394 47 G HA2 -0.195 3.764 3.960 -0.001 0.000 0.214 47 G HA3 -0.195 3.764 3.960 -0.001 0.000 0.214 47 G C 1.442 176.290 174.900 -0.086 0.000 1.176 47 G CA 0.690 45.748 45.100 -0.069 0.000 0.786 47 G HN 0.424 nan 8.290 nan 0.000 0.533 48 L N 1.390 122.560 121.223 -0.088 0.000 2.450 48 L HA 0.200 4.539 4.340 -0.001 0.000 0.224 48 L C 2.725 179.491 176.870 -0.174 0.000 1.149 48 L CA 1.216 55.974 54.840 -0.137 0.000 0.816 48 L CB -0.467 41.552 42.059 -0.066 0.000 0.932 48 L HN 0.261 nan 8.230 nan 0.000 0.449 49 A N -1.274 121.449 122.820 -0.161 0.000 1.871 49 A HA 0.180 4.500 4.320 -0.001 0.000 0.211 49 A C 2.416 179.842 177.584 -0.264 0.000 1.207 49 A CA 0.922 52.826 52.037 -0.222 0.000 0.620 49 A CB -0.854 18.003 19.000 -0.239 0.000 0.860 49 A HN 0.393 nan 8.150 nan 0.000 0.450 50 A N -0.310 122.391 122.820 -0.198 0.000 1.908 50 A HA -0.061 4.259 4.320 -0.001 0.000 0.218 50 A C 2.326 179.902 177.584 -0.013 0.000 1.181 50 A CA 1.911 53.885 52.037 -0.105 0.000 0.627 50 A CB -1.228 17.720 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 3.908 4.120 -0.001 0.000 0.248 51 V C 2.647 178.648 176.094 -0.155 0.000 1.055 51 V CA 2.596 64.823 62.300 -0.122 0.000 1.038 51 V CB -0.853 30.741 31.823 -0.381 0.000 0.651 51 V HN 0.615 nan 8.190 nan 0.000 0.450 52 A N -0.642 122.069 122.820 -0.181 0.000 1.873 52 A HA -0.131 4.189 4.320 -0.001 0.000 0.215 52 A C 2.125 179.716 177.584 0.012 0.000 1.186 52 A CA 1.850 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 1.590 121.387 119.950 -0.254 0.000 2.025 53 F HA -0.266 4.260 4.527 -0.001 0.000 0.297 53 F C 1.990 177.765 175.800 -0.042 0.000 1.132 53 F CA 2.511 60.364 58.000 -0.246 0.000 1.191 53 F CB -0.658 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 0.410 120.800 120.400 -0.016 0.000 2.137 54 D HA -0.279 4.360 4.640 -0.001 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 -0.480 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 -0.019 120.375 120.400 -0.009 0.000 2.218 55 K HA -0.095 4.225 4.320 -0.001 0.000 0.205 55 K C 2.049 178.666 176.600 0.029 0.000 1.046 55 K CA 1.408 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 -0.028 108.761 108.800 -0.018 0.000 2.396 56 G HA2 -0.130 3.829 3.960 -0.001 0.000 0.214 56 G HA3 -0.130 3.829 3.960 -0.001 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 1.529 121.336 119.914 -0.179 0.000 2.594 57 V HA -0.059 4.060 4.120 -0.001 0.000 0.253 57 V C 3.118 179.191 176.094 -0.035 0.000 1.069 57 V CA 1.723 63.911 62.300 -0.187 0.000 1.082 57 V CB -0.489 31.103 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 4.182 4.320 -0.001 0.000 0.216 58 A C 1.849 179.518 177.584 0.142 0.000 1.152 58 A CA 0.786 52.870 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 4.795 4.660 -0.001 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 0.487 121.684 121.223 -0.043 0.000 2.376 60 L HA -0.128 4.211 4.340 -0.001 0.000 0.219 60 L C 2.140 178.900 176.870 -0.184 0.000 1.133 60 L CA 1.031 55.746 54.840 -0.209 0.000 0.816 60 L CB -0.662 41.347 42.059 -0.083 0.000 0.933 60 L HN 0.082 nan 8.230 nan 0.000 0.449 61 Q N -0.595 119.144 119.800 -0.101 0.000 2.354 61 Q HA -0.092 4.247 4.340 -0.001 0.000 0.203 61 Q C 1.783 177.733 176.000 -0.084 0.000 0.933 61 Q CA 0.706 56.471 55.803 -0.063 0.000 0.901 61 Q CB 0.050 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 4.589 4.740 -0.001 0.000 0.182 62 N C 1.744 177.124 175.510 -0.217 0.000 1.020 62 N CA 0.513 53.491 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 4.229 4.340 -0.001 0.000 0.198 63 Q C 1.977 177.824 176.000 -0.254 0.000 0.974 63 Q CA 1.013 56.565 55.803 -0.418 0.000 0.829 63 Q CB -0.578 27.751 28.738 -0.682 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 -0.218 0.000 2.200 64 R HA -0.055 4.285 4.340 -0.001 0.000 0.234 64 R C 1.723 177.968 176.300 -0.091 0.000 1.127 64 R CA 0.928 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 -1.449 118.100 119.600 -0.086 0.000 2.465 65 M HA 0.117 4.596 4.480 -0.001 0.000 0.249 65 M C 1.748 178.020 176.300 -0.047 0.000 1.130 65 M CA 0.602 55.878 55.300 -0.040 0.000 1.067 65 M CB 0.678 33.271 32.600 -0.012 0.000 1.394 65 M HN 0.286 nan 8.290 nan 0.000 0.483 66 G N -0.478 108.271 108.800 -0.085 0.000 2.494 66 G HA2 0.086 4.045 3.960 -0.001 0.000 0.216 66 G HA3 0.086 4.045 3.960 -0.001 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 0.156 122.918 122.820 -0.095 0.000 2.208 67 A HA 0.404 4.724 4.320 -0.001 0.000 0.209 67 A C 1.805 179.360 177.584 -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 0.146 4.485 4.340 -0.001 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 0.596 42.558 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 4.139 4.120 -0.001 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 0.474 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 1.764 120.804 119.070 -0.050 0.000 2.399 70 H HA 0.020 4.575 4.556 -0.001 0.000 0.300 70 H C 1.937 177.239 175.328 -0.044 0.000 1.048 70 H CA 1.977 58.002 56.048 -0.038 0.000 1.370 70 H CB 0.483 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 4.833 4.350 -0.001 0.000 0.265 71 T C 0.843 175.493 174.700 -0.083 0.000 0.978 71 T CA -0.029 62.051 62.100 -0.033 0.000 0.923 71 T CB 0.095 68.949 68.868 -0.023 0.000 1.126 71 T HN 0.337 nan 8.240 nan 0.000 0.538 72 A N 0.782 123.555 122.820 -0.079 0.000 2.416 72 A HA 0.268 4.587 4.320 -0.001 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 -0.108 0.000 0.996 72 A CB -0.314 18.647 19.000 -0.065 0.000 0.961 72 A HN 0.560 nan 8.150 nan 0.000 0.523 73 D N 0.490 120.862 120.400 -0.046 0.000 2.468 73 D HA -0.017 4.623 4.640 -0.001 0.000 0.243 73 D C 0.137 176.478 176.300 0.069 0.000 0.994 73 D CA 0.560 54.565 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 0.489 119.219 118.700 0.051 0.000 2.400 74 N HA 0.026 4.766 4.740 -0.001 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 1.413 39.945 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 4.545 4.550 -0.001 0.000 0.289 75 Y C -0.348 175.553 175.900 0.002 0.000 1.146 75 Y CA 0.977 59.091 58.100 0.024 0.000 1.182 75 Y CB -1.599 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 1.418 64.564 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 -0.602 120.627 121.223 0.010 0.000 2.027 77 L HA -0.081 4.259 4.340 -0.001 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 0.069 121.228 121.223 -0.108 0.000 1.956 78 L HA -0.247 4.093 4.340 -0.001 0.000 0.216 78 L C 2.420 179.157 176.870 -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 4.148 4.340 -0.001 0.000 0.230 79 L C 1.987 178.878 176.870 0.036 0.000 1.163 79 L CA 0.934 55.767 54.840 -0.012 0.000 0.826 79 L CB -0.852 41.270 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 4.332 4.350 -0.001 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 1.430 121.352 119.914 0.013 0.000 2.490 81 V HA -0.024 4.095 4.120 -0.001 0.000 0.250 81 V C 2.615 178.729 176.094 0.034 0.000 1.061 81 V CA 1.541 63.852 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 0.783 123.613 122.820 0.015 0.000 1.851 82 A HA -0.188 4.131 4.320 -0.001 0.000 0.216 82 A C 2.111 179.760 177.584 0.108 0.000 1.195 82 A CA 2.097 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 0.054 120.008 119.950 0.006 0.000 2.161 83 F HA -0.145 4.381 4.527 -0.001 0.000 0.300 83 F C 1.798 177.610 175.800 0.020 0.000 1.089 83 F CA 1.577 59.591 58.000 0.024 0.000 1.282 83 F CB -0.423 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 4.116 4.340 -0.001 0.000 0.209 84 L C 2.629 179.560 176.870 0.101 0.000 1.071 84 L CA 1.970 56.970 54.840 0.266 0.000 0.746 84 L CB -1.225 40.934 42.059 0.166 0.000 0.890 84 L HN 0.304 nan 8.230 nan 0.000 0.432 85 C N -1.395 117.936 119.300 0.051 0.000 2.413 85 C HA -0.164 4.296 4.460 -0.001 0.000 0.276 85 C C 2.930 177.915 174.990 -0.007 0.000 1.248 85 C CA 1.235 60.258 59.018 0.009 0.000 1.742 85 C CB -1.169 26.558 27.740 -0.021 0.000 2.017 85 C HN 0.609 nan 8.230 nan 0.000 0.481 86 S N 0.837 116.515 115.700 -0.037 0.000 2.355 86 S HA -0.065 4.404 4.470 -0.001 0.000 0.222 86 S C 2.227 176.783 174.600 -0.073 0.000 1.031 86 S CA 1.261 59.426 58.200 -0.058 0.000 0.993 86 S CB -0.529 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 1.386 124.106 122.820 -0.166 0.000 1.908 87 A HA -0.074 4.245 4.320 -0.001 0.000 0.218 87 A C 2.343 179.940 177.584 0.021 0.000 1.181 87 A CA 1.654 53.605 52.037 -0.143 0.000 0.627 87 A CB -1.012 17.886 19.000 -0.171 0.000 0.818 87 A HN 0.334 nan 8.150 nan 0.000 0.445 88 V N 0.101 120.049 119.914 0.056 0.000 2.261 88 V HA -0.284 3.835 4.120 -0.001 0.000 0.246 88 V C 2.590 178.774 176.094 0.150 0.000 1.047 88 V CA 2.105 64.467 62.300 0.104 0.000 1.015 88 V CB -0.877 31.000 31.823 0.090 0.000 0.642 88 V HN 0.575 nan 8.190 nan 0.000 0.446 89 L N 0.108 121.395 121.223 0.107 0.000 2.017 89 L HA -0.163 4.176 4.340 -0.001 0.000 0.208 89 L C 2.764 179.761 176.870 0.212 0.000 1.073 89 L CA 1.622 56.533 54.840 0.118 0.000 0.745 89 L CB -0.876 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 -0.312 122.627 122.820 0.200 0.000 1.940 90 A HA -0.230 4.090 4.320 -0.001 0.000 0.219 90 A C 2.329 180.183 177.584 0.450 0.000 1.176 90 A CA 1.589 53.827 52.037 0.334 0.000 0.631 90 A CB -0.362 18.800 19.000 0.270 0.000 0.814 90 A HN 0.255 nan 8.150 nan 0.000 0.446 91 M N -1.669 118.107 119.600 0.293 0.000 2.443 91 M HA -0.135 4.345 4.480 -0.001 0.000 0.267 91 M C 2.104 178.654 176.300 0.417 0.000 1.069 91 M CA 1.609 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 4.270 4.527 -0.001 0.000 0.299 92 F C 2.039 177.996 175.800 0.262 0.000 1.060 92 F CA 1.784 59.938 58.000 0.258 0.000 1.284 92 F CB -0.926 38.176 39.000 0.171 0.000 1.035 92 F HN 0.207 nan 8.300 nan 0.000 0.496 93 G N -1.339 107.810 108.800 0.581 0.000 2.547 93 G HA2 -0.274 3.686 3.960 -0.001 0.000 0.214 93 G HA3 -0.274 3.686 3.960 -0.001 0.000 0.214 93 G C 1.313 176.419 174.900 0.344 0.000 1.254 93 G CA 0.698 46.051 45.100 0.422 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 -0.125 4.425 4.550 -0.001 0.000 0.285 94 Y C 2.210 178.210 175.900 0.167 0.000 1.173 94 Y CA 1.008 59.224 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 -0.283 119.772 119.950 0.175 0.000 1.999 95 F HA -0.261 4.266 4.527 -0.001 0.000 0.293 95 F C 2.062 177.870 175.800 0.014 0.000 1.173 95 F CA 0.593 58.622 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 0.718 121.861 121.223 -0.134 0.000 2.123 96 L HA -0.296 4.043 4.340 -0.001 0.000 0.217 96 L C 2.295 179.132 176.870 -0.055 0.000 1.081 96 L CA 1.384 56.061 54.840 -0.273 0.000 0.772 96 L CB -1.640 40.321 42.059 -0.163 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 3.930 4.120 -0.001 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 31.346 31.823 -0.066 0.000 0.650 97 V HN 0.378 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 -0.131 4.209 4.340 -0.001 0.000 0.235 98 R C 2.206 178.480 176.300 -0.043 0.000 1.127 98 R CA 1.417 57.408 56.100 -0.181 0.000 0.968 98 R CB -0.437 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 -0.251 120.206 120.400 0.094 0.000 2.063 99 K HA -0.022 4.298 4.320 -0.001 0.000 0.204 99 K C 1.766 178.351 176.600 -0.025 0.000 1.039 99 K CA 1.204 57.544 56.287 0.089 0.000 0.957 99 K CB -0.239 32.407 32.500 0.242 0.000 0.764 99 K HN 0.014 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 4.956 4.550 -0.001 0.000 0.285 100 Y C -0.013 175.830 175.900 -0.096 0.000 1.117 100 Y CA 0.281 58.307 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 4.576 4.320 -0.001 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 -0.135 18.840 19.000 -0.041 0.000 1.382 101 A HN -0.049 nan 8.150 nan 0.000 0.609 102 P HA -0.130 nan 4.420 nan 0.000 0.240 102 P C 0.515 177.767 177.300 -0.081 0.000 1.186 102 P CA 0.943 63.978 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 0.384 120.541 120.200 -0.071 0.000 2.140 103 E HA 0.041 4.390 4.350 -0.001 0.000 0.191 103 E C 1.740 178.305 176.600 -0.058 0.000 0.973 103 E CA 0.547 56.907 56.400 -0.066 0.000 0.829 103 E CB -0.515 29.134 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 4.637 4.320 -0.001 0.000 0.242 104 A C 0.901 178.467 177.584 -0.030 0.000 1.323 104 A CA 0.441 52.452 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 -1.610 107.168 108.800 -0.036 0.000 2.379 105 G HA2 0.625 4.584 3.960 -0.001 0.000 0.327 105 G HA3 0.625 4.584 3.960 -0.001 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 0.740 109.531 108.800 -0.015 0.000 2.466 106 G HA2 -0.068 3.891 3.960 -0.001 0.000 0.218 106 G HA3 -0.068 3.891 3.960 -0.001 0.000 0.218 106 G C 1.162 176.189 174.900 0.212 0.000 1.237 106 G CA 0.738 45.818 45.100 -0.033 0.000 0.954 106 G HN 1.422 nan 8.290 nan 0.000 0.580 107 S N -0.828 115.107 115.700 0.391 0.000 2.365 107 S HA 0.414 4.884 4.470 -0.001 0.000 0.194 107 S C 2.023 176.673 174.600 0.083 0.000 1.093 107 S CA 3.050 61.441 58.200 0.318 0.000 1.224 107 S CB -0.463 62.944 63.200 0.343 0.000 0.961 107 S HN 2.685 nan 8.310 nan 0.000 0.412 108 G N -0.734 108.064 108.800 -0.003 0.000 3.246 108 G HA2 -0.076 3.883 3.960 -0.001 0.000 0.218 108 G HA3 -0.076 3.883 3.960 -0.001 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 2.507 122.927 120.570 -0.251 0.000 2.193 109 I HA 0.073 4.243 4.170 -0.001 0.000 0.240 109 I C 0.418 176.326 176.117 -0.348 0.000 1.084 109 I CA 1.574 62.631 61.300 -0.406 0.000 1.365 109 I CB -0.683 36.810 38.000 -0.845 0.000 1.064 109 I HN 0.130 nan 8.210 nan 0.000 0.410 110 P HA -0.230 nan 4.420 nan 0.000 0.218 110 P C 1.454 178.707 177.300 -0.079 0.000 1.146 110 P CA 1.567 64.599 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 0.310 120.457 120.200 -0.088 0.000 2.030 111 E HA -0.074 4.275 4.350 -0.001 0.000 0.189 111 E C 2.150 178.696 176.600 -0.089 0.000 0.974 111 E CA 0.642 57.000 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 1.872 122.373 120.570 -0.115 0.000 2.423 112 I HA -0.237 3.932 4.170 -0.001 0.000 0.254 112 I C 2.476 178.513 176.117 -0.134 0.000 1.151 112 I CA 1.288 62.518 61.300 -0.118 0.000 1.421 112 I CB -1.063 36.855 38.000 -0.137 0.000 1.079 112 I HN 0.333 nan 8.210 nan 0.000 0.431 113 E N 0.974 121.081 120.200 -0.155 0.000 2.268 113 E HA -0.147 4.202 4.350 -0.001 0.000 0.195 113 E C 2.253 178.791 176.600 -0.105 0.000 0.995 113 E CA 1.194 57.501 56.400 -0.156 0.000 0.836 113 E CB -0.082 29.519 29.700 -0.164 0.000 0.763 113 E HN 0.469 nan 8.360 nan 0.000 0.491 114 G N 0.433 109.187 108.800 -0.078 0.000 2.411 114 G HA2 -0.082 3.877 3.960 -0.001 0.000 0.213 114 G HA3 -0.082 3.877 3.960 -0.001 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 0.412 123.198 122.820 -0.058 0.000 2.186 115 A HA 0.123 4.442 4.320 -0.001 0.000 0.219 115 A C 2.155 179.700 177.584 -0.065 0.000 1.159 115 A CA 0.825 52.839 52.037 -0.039 0.000 0.680 115 A CB -0.293 18.687 19.000 -0.034 0.000 0.787 115 A HN 0.376 nan 8.150 nan 0.000 0.467 116 L N -1.186 119.953 121.223 -0.140 0.000 2.558 116 L HA 0.073 4.412 4.340 -0.001 0.000 0.225 116 L C 1.694 178.369 176.870 -0.325 0.000 1.128 116 L CA 0.297 54.955 54.840 -0.303 0.000 0.868 116 L CB -0.021 41.861 42.059 -0.295 0.000 1.006 116 L HN 0.301 nan 8.230 nan 0.000 0.454 117 E N -0.727 119.398 120.200 -0.126 0.000 2.489 117 E HA 0.021 4.370 4.350 -0.001 0.000 0.204 117 E C -0.567 176.049 176.600 0.026 0.000 1.006 117 E CA 0.110 56.484 56.400 -0.043 0.000 0.936 117 E CB 0.601 30.291 29.700 -0.016 0.000 1.002 117 E HN 0.215 nan 8.360 nan 0.000 0.488 118 D N 1.395 121.816 120.400 0.034 0.000 3.585 118 D HA -0.126 4.513 4.640 -0.001 0.000 0.251 118 D C -0.465 175.860 176.300 0.040 0.000 1.065 118 D CA 0.879 54.920 54.000 0.069 0.000 1.048 118 D CB -0.927 39.941 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 4.693 4.340 -0.001 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 1.177 29.919 28.738 0.006 0.000 1.498 119 Q HN 0.154 nan 8.270 nan 0.000 0.408 120 R N -0.176 120.325 120.500 0.001 0.000 3.188 120 R HA -0.133 4.206 4.340 -0.001 0.000 0.247 120 R C -2.381 173.911 176.300 -0.014 0.000 0.918 120 R CA 0.535 56.628 56.100 -0.011 0.000 0.629 120 R CB -2.053 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 -0.073 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 0.094 63.201 63.100 0.012 0.000 0.800 121 P CB 0.594 32.321 31.700 0.046 0.000 0.894 122 V N 2.722 122.626 119.914 -0.017 0.000 2.398 122 V HA 0.296 4.416 4.120 -0.001 0.000 0.286 122 V C 0.987 176.941 176.094 -0.233 0.000 1.026 122 V CA -0.436 61.821 62.300 -0.072 0.000 0.868 122 V CB 0.980 32.820 31.823 0.029 0.000 0.982 122 V HN 0.566 nan 8.190 nan 0.000 0.443 123 R N 4.449 124.601 120.500 -0.580 0.000 2.664 123 R HA 0.134 4.474 4.340 -0.001 0.000 0.281 123 R C 0.508 176.070 176.300 -1.230 0.000 1.383 123 R CA -0.623 54.515 56.100 -1.602 0.000 1.563 123 R CB -0.375 28.848 30.300 -1.795 0.000 1.131 123 R HN 0.866 nan 8.270 nan 0.000 0.599 124 W N 2.228 123.183 121.300 -0.574 0.000 2.321 124 W HA -0.199 4.460 4.660 -0.001 0.000 0.306 124 W C 1.274 177.684 176.519 -0.182 0.000 1.217 124 W CA 1.040 58.233 57.345 -0.254 0.000 1.257 124 W CB -0.976 28.453 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 -0.912 0.000 2.316 125 W HA -0.173 4.486 4.660 -0.001 0.000 0.279 125 W C 1.881 178.321 176.519 -0.132 0.000 1.208 125 W CA 1.997 59.068 57.345 -0.457 0.000 1.182 125 W CB -1.174 27.928 29.460 -0.597 0.000 1.134 125 W HN -0.034 nan 8.180 nan 0.000 0.560 126 R N 0.020 120.292 120.500 -0.381 0.000 2.055 126 R HA 0.081 4.420 4.340 -0.001 0.000 0.190 126 R C 2.340 178.587 176.300 -0.089 0.000 1.443 126 R CA 0.720 56.734 56.100 -0.143 0.000 1.188 126 R CB -0.832 29.347 30.300 -0.202 0.000 1.068 126 R HN 0.025 nan 8.270 nan 0.000 0.475 127 V N 2.903 122.708 119.914 -0.181 0.000 2.357 127 V HA -0.338 3.782 4.120 -0.001 0.000 0.257 127 V C 2.401 178.499 176.094 0.006 0.000 1.082 127 V CA 1.870 64.116 62.300 -0.089 0.000 1.078 127 V CB -0.691 31.050 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 4.202 4.340 -0.001 0.000 0.220 128 L C 0.431 177.426 176.870 0.208 0.000 1.078 128 L CA 2.437 57.358 54.840 0.134 0.000 0.773 128 L CB -2.118 40.067 42.059 0.210 0.000 0.890 128 L HN 0.345 nan 8.230 nan 0.000 0.434 129 P HA -0.113 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 1.264 64.559 63.100 0.326 0.000 0.795 129 P CB 0.077 31.936 31.700 0.265 0.000 0.775 130 V N 1.023 121.047 119.914 0.183 0.000 2.239 130 V HA -0.178 3.942 4.120 -0.001 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 0.115 0.000 2.074 131 K HA -0.188 4.132 4.320 -0.001 0.000 0.209 131 K C 1.989 178.681 176.600 0.153 0.000 1.048 131 K CA 1.764 58.097 56.287 0.076 0.000 0.926 131 K CB -0.773 31.715 32.500 -0.020 0.000 0.713 131 K HN 0.470 nan 8.250 nan 0.000 0.444 132 F N -0.784 119.148 119.950 -0.029 0.000 2.026 132 F HA -0.244 4.283 4.527 -0.001 0.000 0.296 132 F C 1.588 177.390 175.800 0.003 0.000 1.133 132 F CA 1.300 59.255 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 0.649 120.783 119.950 0.307 0.000 2.259 133 F HA 0.037 4.563 4.527 -0.001 0.000 0.298 133 F C 2.549 178.481 175.800 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 0.048 109.089 108.800 0.400 0.000 2.480 134 G HA2 -0.210 3.749 3.960 -0.001 0.000 0.216 134 G HA3 -0.210 3.749 3.960 -0.001 0.000 0.216 134 G C 2.072 177.131 174.900 0.265 0.000 1.200 134 G CA 0.939 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 0.566 109.536 108.800 0.284 0.000 2.418 135 G HA2 -0.123 3.836 3.960 -0.001 0.000 0.217 135 G HA3 -0.123 3.836 3.960 -0.001 0.000 0.217 135 G C 1.746 176.856 174.900 0.351 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 0.421 0.000 2.189 136 L HA 0.029 4.368 4.340 -0.001 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 41.440 42.059 0.164 0.000 0.900 136 L HN 0.179 nan 8.230 nan 0.000 0.436 137 G N -2.075 106.792 108.800 0.111 0.000 2.473 137 G HA2 -0.178 3.782 3.960 -0.001 0.000 0.212 137 G HA3 -0.178 3.782 3.960 -0.001 0.000 0.212 137 G C 1.446 176.404 174.900 0.097 0.000 1.211 137 G CA 0.961 46.097 45.100 0.060 0.000 0.813 137 G HN 0.453 nan 8.290 nan 0.000 0.541 138 T N 0.832 115.471 114.554 0.142 0.000 2.665 138 T HA -0.102 4.247 4.350 -0.001 0.000 0.268 138 T C 2.437 177.202 174.700 0.108 0.000 1.035 138 T CA 1.418 63.599 62.100 0.135 0.000 1.151 138 T CB -0.440 68.498 68.868 0.116 0.000 0.862 138 T HN 0.139 nan 8.240 nan 0.000 0.438 139 L N 0.933 122.221 121.223 0.108 0.000 2.072 139 L HA 0.163 4.502 4.340 -0.001 0.000 0.205 139 L C 3.225 180.111 176.870 0.026 0.000 1.079 139 L CA 1.289 56.175 54.840 0.077 0.000 0.752 139 L CB -1.147 40.968 42.059 0.092 0.000 0.906 139 L HN 0.475 nan 8.230 nan 0.000 0.436 140 G N -0.307 108.493 108.800 -0.001 0.000 2.498 140 G HA2 -0.140 3.820 3.960 -0.001 0.000 0.219 140 G HA3 -0.140 3.820 3.960 -0.001 0.000 0.219 140 G C 1.503 176.397 174.900 -0.011 0.000 1.119 140 G CA 0.668 45.755 45.100 -0.023 0.000 0.766 140 G HN 0.496 nan 8.290 nan 0.000 0.552 141 G N -0.271 108.539 108.800 0.017 0.000 2.464 141 G HA2 0.336 4.296 3.960 -0.001 0.000 0.217 141 G HA3 0.336 4.296 3.960 -0.001 0.000 0.217 141 G C 1.201 176.111 174.900 0.016 0.000 1.138 141 G CA 0.601 45.712 45.100 0.018 0.000 0.793 141 G HN 1.418 nan 8.290 nan 0.000 0.539 142 G N -0.569 108.247 108.800 0.027 0.000 2.141 142 G HA2 -0.219 3.741 3.960 -0.001 0.000 0.195 142 G HA3 -0.219 3.741 3.960 -0.001 0.000 0.195 142 G C 0.283 175.205 174.900 0.037 0.000 1.012 142 G CA 0.071 45.188 45.100 0.028 0.000 0.696 142 G HN 0.376 nan 8.290 nan 0.000 0.508 143 M N 0.063 119.695 119.600 0.054 0.000 2.228 143 M HA 0.344 4.823 4.480 -0.001 0.000 0.326 143 M C 1.258 177.596 176.300 0.063 0.000 1.122 143 M CA -0.380 54.962 55.300 0.071 0.000 1.161 143 M CB 1.266 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 4.315 124.270 119.914 0.069 0.000 1.935 144 V HA 0.105 4.224 4.120 -0.001 0.000 0.262 144 V C -0.054 176.089 176.094 0.081 0.000 1.726 144 V CA 0.445 62.777 62.300 0.053 0.000 1.656 144 V CB -1.858 29.999 31.823 0.056 0.000 1.532 144 V HN 0.517 nan 8.190 nan 0.000 0.509 145 L N 1.347 122.618 121.223 0.079 0.000 2.386 145 L HA 0.741 5.080 4.340 -0.001 0.000 0.271 145 L C 0.798 177.717 176.870 0.080 0.000 0.993 145 L CA -0.520 54.388 54.840 0.113 0.000 0.819 145 L CB 1.960 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 0.886 109.743 108.800 0.095 0.000 2.537 146 G HA2 0.358 4.317 3.960 -0.001 0.000 0.273 146 G HA3 0.358 4.317 3.960 -0.001 0.000 0.273 146 G C 0.493 175.493 174.900 0.168 0.000 1.189 146 G CA -0.568 44.598 45.100 0.110 0.000 0.881 146 G HN 0.855 nan 8.290 nan 0.000 0.535 147 R N -0.523 120.103 120.500 0.210 0.000 2.388 147 R HA 0.218 4.558 4.340 -0.001 0.000 0.247 147 R C 0.652 176.992 176.300 0.067 0.000 0.931 147 R CA 0.095 56.331 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 1.792 122.014 120.200 0.036 0.000 2.021 148 E HA 0.016 4.365 4.350 -0.001 0.000 0.189 148 E C 2.072 178.585 176.600 -0.145 0.000 0.980 148 E CA 1.358 57.669 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 -0.305 3.655 3.960 -0.001 0.000 0.222 149 G HA3 -0.305 3.655 3.960 -0.001 0.000 0.222 149 G C -0.770 174.050 174.900 -0.133 0.000 1.248 149 G CA 1.898 46.968 45.100 -0.050 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 2.232 179.274 177.300 -0.432 0.000 1.167 150 P CA 3.306 66.200 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 -2.018 112.265 114.554 -0.452 0.000 2.708 151 T HA -0.110 4.239 4.350 -0.001 0.000 0.266 151 T C 2.053 176.585 174.700 -0.280 0.000 1.037 151 T CA 1.684 63.551 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 1.972 121.739 119.914 -0.244 0.000 2.287 152 V HA -0.232 3.888 4.120 -0.001 0.000 0.248 152 V C 2.932 178.921 176.094 -0.174 0.000 1.053 152 V CA 2.328 64.511 62.300 -0.195 0.000 1.027 152 V CB -0.964 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 -0.146 4.193 4.340 -0.001 0.000 0.198 153 Q C 2.256 178.172 176.000 -0.140 0.000 0.978 153 Q CA 1.965 57.681 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 0.760 121.222 120.570 -0.180 0.000 2.381 154 I HA -0.304 3.865 4.170 -0.001 0.000 0.255 154 I C 2.141 178.169 176.117 -0.148 0.000 1.140 154 I CA 1.205 62.402 61.300 -0.171 0.000 1.404 154 I CB -0.593 37.233 38.000 -0.291 0.000 1.075 154 I HN 0.457 nan 8.210 nan 0.000 0.433 155 G N 0.338 109.038 108.800 -0.167 0.000 2.404 155 G HA2 -0.128 3.831 3.960 -0.001 0.000 0.214 155 G HA3 -0.128 3.831 3.960 -0.001 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 1.069 109.806 108.800 -0.104 0.000 2.440 156 G HA2 -0.266 3.694 3.960 -0.001 0.000 0.218 156 G HA3 -0.266 3.694 3.960 -0.001 0.000 0.218 156 G C 1.746 176.615 174.900 -0.052 0.000 1.154 156 G CA 1.353 46.406 45.100 -0.080 0.000 0.767 156 G HN 0.433 nan 8.290 nan 0.000 0.552 157 N N 0.722 119.401 118.700 -0.036 0.000 2.039 157 N HA -0.070 4.670 4.740 -0.001 0.000 0.193 157 N C 2.086 177.578 175.510 -0.030 0.000 1.044 157 N CA 0.834 53.903 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 0.851 121.385 120.570 -0.061 0.000 2.623 158 I HA -0.168 4.001 4.170 -0.001 0.000 0.261 158 I C 2.031 178.065 176.117 -0.139 0.000 1.204 158 I CA 0.975 62.212 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 3.712 3.960 -0.001 0.000 0.215 159 G HA3 -0.247 3.712 3.960 -0.001 0.000 0.215 159 G C 1.666 176.489 174.900 -0.128 0.000 1.284 159 G CA 0.791 45.830 45.100 -0.102 0.000 0.823 159 G HN 0.464 nan 8.290 nan 0.000 0.569 160 R N -0.012 120.426 120.500 -0.102 0.000 2.193 160 R HA 0.138 4.477 4.340 -0.001 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 -0.722 0.000 2.082 161 M HA -0.166 4.313 4.480 -0.001 0.000 0.258 161 M C 1.933 177.799 176.300 -0.723 0.000 1.069 161 M CA 2.463 56.868 55.300 -1.491 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 -1.176 118.543 119.914 -0.325 0.000 3.380 162 V HA -0.091 4.028 4.120 -0.001 0.000 0.268 162 V C 1.974 178.092 176.094 0.040 0.000 1.168 162 V CA 0.811 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 1.364 122.542 121.223 -0.075 0.000 2.131 163 L HA 0.127 4.466 4.340 -0.001 0.000 0.206 163 L C 1.812 178.704 176.870 0.037 0.000 1.087 163 L CA 2.076 56.917 54.840 0.002 0.000 0.767 163 L CB -0.606 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 -0.746 119.628 120.400 -0.043 0.000 2.213 164 D HA -0.004 4.636 4.640 -0.001 0.000 0.205 164 D C 2.274 178.596 176.300 0.038 0.000 0.961 164 D CA 1.081 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 3.982 4.170 -0.001 0.000 0.251 165 I C 0.928 176.905 176.117 -0.234 0.000 1.136 165 I CA 1.000 62.238 61.300 -0.104 0.000 1.425 165 I CB 0.007 37.927 38.000 -0.133 0.000 1.079 165 I HN -0.025 nan 8.210 nan 0.000 0.425 166 F N 0.784 120.727 119.950 -0.012 0.000 2.678 166 F HA 0.217 4.743 4.527 -0.001 0.000 0.305 166 F C 0.594 176.399 175.800 0.008 0.000 1.090 166 F CA -0.621 57.382 58.000 0.004 0.000 1.272 166 F CB 0.176 39.182 39.000 0.010 0.000 1.060 166 F HN -0.018 nan 8.300 nan 0.000 0.576 167 R N 0.962 121.545 120.500 0.138 0.000 2.533 167 R HA -0.212 4.127 4.340 -0.001 0.000 0.280 167 R C -1.535 174.823 176.300 0.097 0.000 0.989 167 R CA 0.213 56.373 56.100 0.099 0.000 0.864 167 R CB -2.351 27.988 30.300 0.066 0.000 2.274 167 R HN 0.347 nan 8.270 nan 0.000 0.522 168 L N 1.717 122.993 121.223 0.087 0.000 2.334 168 L HA 0.582 4.921 4.340 -0.001 0.000 0.272 168 L C 0.314 177.210 176.870 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 43.799 42.059 0.054 0.000 1.264 168 L HN 0.387 nan 8.230 nan 0.000 0.439 169 K N 0.358 120.776 120.400 0.031 0.000 2.245 169 K HA 0.870 5.190 4.320 -0.001 0.000 0.234 169 K C -0.187 176.416 176.600 0.004 0.000 1.021 169 K CA 0.045 56.343 56.287 0.020 0.000 0.898 169 K CB 1.537 34.048 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 -0.007 0.000 2.707 170 G HA2 -0.173 3.787 3.960 -0.001 0.000 0.686 170 G HA3 -0.173 3.787 3.960 -0.001 0.000 0.686 170 G C -0.517 174.345 174.900 -0.064 0.000 1.315 170 G CA -0.243 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 -0.187 120.144 120.400 -0.114 0.000 2.249 171 D HA 0.111 4.750 4.640 -0.001 0.000 0.205 171 D C 1.942 178.096 176.300 -0.243 0.000 0.962 171 D CA 1.237 55.077 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 4.155 4.350 -0.001 0.000 0.211 172 E C 1.911 178.497 176.600 -0.024 0.000 1.029 172 E CA 1.928 58.299 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 0.284 123.095 122.820 -0.014 0.000 2.139 173 A HA -0.230 4.089 4.320 -0.001 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 0.006 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 -0.034 4.306 4.340 -0.001 0.000 0.224 174 R C 2.054 178.421 176.300 0.112 0.000 1.163 174 R CA 1.168 57.292 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 4.420 4.556 -0.001 0.000 0.298 175 H C 1.865 177.169 175.328 -0.040 0.000 1.103 175 H CA 1.609 57.640 56.048 -0.028 0.000 1.293 175 H CB 0.089 29.829 29.762 -0.036 0.000 1.372 175 H HN 0.304 nan 8.280 nan 0.000 0.501 176 T N 1.453 116.066 114.554 0.098 0.000 2.564 176 T HA -0.124 4.225 4.350 -0.001 0.000 0.259 176 T C 2.072 176.776 174.700 0.006 0.000 1.087 176 T CA 0.672 62.791 62.100 0.032 0.000 1.184 176 T CB -0.340 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 4.226 4.340 -0.001 0.000 0.225 177 L C 2.209 179.061 176.870 -0.030 0.000 1.142 177 L CA 1.183 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 0.268 nan 8.230 nan 0.000 0.446 178 L N -0.327 120.887 121.223 -0.014 0.000 2.116 178 L HA 0.064 4.403 4.340 -0.001 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 41.305 42.059 -0.010 0.000 0.930 178 L HN 0.088 nan 8.230 nan 0.000 0.453 179 A N -0.716 122.067 122.820 -0.061 0.000 1.903 179 A HA -0.353 3.967 4.320 -0.001 0.000 0.219 179 A C 2.400 179.937 177.584 -0.078 0.000 1.191 179 A CA 3.270 55.256 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 -2.435 112.083 114.554 -0.060 0.000 2.708 180 T HA -0.009 4.340 4.350 -0.001 0.000 0.266 180 T C 1.951 176.604 174.700 -0.079 0.000 1.037 180 T CA 1.975 64.037 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 3.956 3.960 -0.001 0.000 0.220 181 G HA3 -0.004 3.956 3.960 -0.001 0.000 0.220 181 G C 1.882 176.719 174.900 -0.105 0.000 1.125 181 G CA 1.072 46.116 45.100 -0.093 0.000 0.755 181 G HN 0.827 nan 8.290 nan 0.000 0.565 182 A N 0.962 123.720 122.820 -0.102 0.000 1.874 182 A HA 0.439 4.758 4.320 -0.001 0.000 0.214 182 A C 2.829 180.359 177.584 -0.091 0.000 1.189 182 A CA 1.955 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 0.173 122.945 122.820 -0.079 0.000 1.858 183 A HA 0.122 4.442 4.320 -0.001 0.000 0.216 183 A C 2.508 180.031 177.584 -0.101 0.000 1.190 183 A CA 2.290 54.287 52.037 -0.067 0.000 0.617 183 A CB -1.228 17.725 19.000 -0.079 0.000 0.827 183 A HN 1.175 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 4.400 4.320 -0.001 0.000 0.221 184 A C 2.254 179.757 177.584 -0.134 0.000 1.161 184 A CA 2.040 54.010 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 0.729 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 3.870 3.960 -0.001 0.000 0.215 185 G HA3 -0.089 3.870 3.960 -0.001 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 4.274 4.340 -0.001 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 -0.677 41.189 42.059 -0.323 0.000 0.891 186 L HN 0.285 nan 8.230 nan 0.000 0.433 187 A N -0.559 122.123 122.820 -0.229 0.000 1.858 187 A HA -0.111 4.208 4.320 -0.001 0.000 0.216 187 A C 2.373 179.830 177.584 -0.212 0.000 1.190 187 A CA 1.920 53.849 52.037 -0.180 0.000 0.617 187 A CB -1.217 17.702 19.000 -0.136 0.000 0.827 187 A HN 0.575 nan 8.150 nan 0.000 0.443 188 A N -0.839 121.858 122.820 -0.205 0.000 2.167 188 A HA 0.402 4.721 4.320 -0.001 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 -0.206 0.000 0.735 188 A CB -0.611 18.335 19.000 -0.090 0.000 0.802 188 A HN 0.942 nan 8.150 nan 0.000 0.467 189 A N -1.397 121.239 122.820 -0.307 0.000 2.016 189 A HA 0.242 4.561 4.320 -0.001 0.000 0.217 189 A C 1.505 179.035 177.584 -0.090 0.000 1.162 189 A CA 0.977 52.842 52.037 -0.287 0.000 0.662 189 A CB -0.365 18.313 19.000 -0.536 0.000 0.812 189 A HN 0.571 nan 8.150 nan 0.000 0.450 190 F N -2.457 117.379 119.950 -0.192 0.000 2.798 190 F HA 0.184 4.710 4.527 -0.001 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 0.418 39.364 39.000 -0.090 0.000 1.072 190 F HN 0.294 nan 8.300 nan 0.000 0.555 191 N N 2.142 120.631 118.700 -0.352 0.000 2.740 191 N HA -0.234 4.505 4.740 -0.001 0.000 0.248 191 N C -0.711 174.728 175.510 -0.118 0.000 1.062 191 N CA 0.693 53.505 53.050 -0.396 0.000 0.704 191 N CB -0.894 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 0.223 123.007 122.820 -0.059 0.000 3.064 192 A HA 0.478 4.797 4.320 -0.001 0.000 0.339 192 A C -0.893 176.665 177.584 -0.044 0.000 1.078 192 A CA -0.721 51.309 52.037 -0.010 0.000 0.869 192 A CB 0.845 19.896 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 1.110 64.148 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 -0.884 120.283 121.223 -0.093 0.000 2.083 194 L HA -0.119 4.220 4.340 -0.001 0.000 0.209 194 L C 2.824 179.663 176.870 -0.051 0.000 1.083 194 L CA 1.612 56.399 54.840 -0.088 0.000 0.752 194 L CB -1.110 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 0.212 123.023 122.820 -0.016 0.000 1.929 195 A HA -0.027 4.292 4.320 -0.001 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 0.465 109.248 108.800 -0.027 0.000 2.459 196 G HA2 -0.223 3.736 3.960 -0.001 0.000 0.217 196 G HA3 -0.223 3.736 3.960 -0.001 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 4.047 4.170 -0.001 0.000 0.236 197 I C 2.650 178.756 176.117 -0.018 0.000 1.064 197 I CA 0.768 61.993 61.300 -0.125 0.000 1.324 197 I CB -0.424 37.386 38.000 -0.317 0.000 1.044 197 I HN 0.064 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 4.081 4.340 -0.001 0.000 0.225 198 L C 2.446 179.401 176.870 0.142 0.000 1.142 198 L CA 1.090 55.968 54.840 0.062 0.000 0.796 198 L CB -0.554 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 0.694 120.619 119.950 -0.041 0.000 2.149 199 F HA -0.075 4.451 4.527 -0.001 0.000 0.294 199 F C 2.094 177.858 175.800 -0.059 0.000 1.095 199 F CA 0.900 58.877 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 2.500 123.008 120.570 -0.103 0.000 3.454 200 I HA -0.088 4.081 4.170 -0.001 0.000 0.297 200 I C 1.160 177.180 176.117 -0.162 0.000 1.298 200 I CA 1.087 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 -3.111 117.391 120.570 -0.114 0.000 3.809 201 I HA 0.322 4.492 4.170 -0.001 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 4.399 4.350 -0.001 0.000 0.208 202 E C 0.909 177.472 176.600 -0.063 0.000 0.888 202 E CA 0.311 56.691 56.400 -0.033 0.000 1.485 202 E CB 0.865 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 -0.314 119.783 120.200 -0.172 0.000 3.034 203 E HA 0.181 4.531 4.350 -0.001 0.000 0.237 203 E C 1.552 177.945 176.600 -0.346 0.000 1.117 203 E CA 0.388 56.646 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 4.201 4.480 -0.001 0.000 0.286 204 M C 0.923 177.049 176.300 -0.290 0.000 0.972 204 M CA 2.164 57.164 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 4.335 4.340 -0.001 0.000 0.266 205 R C -2.390 173.819 176.300 -0.151 0.000 0.977 205 R CA -0.418 55.564 56.100 -0.198 0.000 1.097 205 R CB -1.397 28.799 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 -0.699 176.576 177.300 -0.040 0.000 1.195 206 P CA 0.351 63.421 63.100 -0.050 0.000 0.762 206 P CB 0.796 32.459 31.700 -0.063 0.000 0.799 207 Q N 1.383 121.169 119.800 -0.023 0.000 2.282 207 Q HA 0.138 4.478 4.340 -0.001 0.000 0.206 207 Q C 0.268 176.032 176.000 -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 0.879 120.832 119.950 0.004 0.000 2.654 208 F HA 0.258 4.785 4.527 -0.001 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 -1.798 118.804 120.500 0.170 0.000 2.633 209 R HA 0.208 4.547 4.340 -0.001 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 -0.048 nan 8.270 nan 0.000 0.453 210 Y N 2.417 122.743 120.300 0.044 0.000 3.142 210 Y HA -0.122 4.428 4.550 -0.001 0.000 0.347 210 Y C -0.374 175.558 175.900 0.054 0.000 1.269 210 Y CA 1.718 59.841 58.100 0.037 0.000 1.560 210 Y CB 0.579 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 6.054 120.325 114.554 -0.471 0.000 2.922 211 T HA 0.503 4.852 4.350 -0.001 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 1.075 69.806 68.868 -0.228 0.000 1.158 211 T HN 0.470 nan 8.240 nan 0.000 0.566 212 L N 0.192 121.355 121.223 -0.099 0.000 3.366 212 L HA 0.449 4.788 4.340 -0.001 0.000 0.304 212 L C -0.352 176.507 176.870 -0.019 0.000 1.292 212 L CA 0.112 54.912 54.840 -0.067 0.000 1.012 212 L CB -0.368 41.693 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 4.360 4.170 -0.001 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 1.470 39.444 38.000 -0.044 0.000 1.412 213 I HN 0.047 nan 8.210 nan 0.000 0.513 214 S N 6.167 121.865 115.700 -0.003 0.000 2.415 214 S HA 0.341 4.811 4.470 -0.001 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 4.328 124.922 120.570 0.041 0.000 2.093 215 I HA -0.319 3.850 4.170 -0.001 0.000 0.239 215 I C 2.627 178.850 176.117 0.176 0.000 1.026 215 I CA 1.685 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 4.077 4.320 -0.001 0.000 0.205 216 K C 1.966 178.626 176.600 0.098 0.000 1.045 216 K CA 1.542 57.854 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 0.186 123.050 122.820 0.072 0.000 1.930 217 A HA -0.044 4.276 4.320 -0.001 0.000 0.215 217 A C 2.148 179.766 177.584 0.057 0.000 1.176 217 A CA 1.120 53.185 52.037 0.047 0.000 0.632 217 A CB -0.323 18.689 19.000 0.021 0.000 0.819 217 A HN 0.138 nan 8.150 nan 0.000 0.445 218 V N -0.997 118.962 119.914 0.075 0.000 2.261 218 V HA -0.250 3.869 4.120 -0.001 0.000 0.246 218 V C 2.236 178.357 176.094 0.045 0.000 1.047 218 V CA 2.112 64.432 62.300 0.034 0.000 1.015 218 V CB -1.085 30.750 31.823 0.021 0.000 0.642 218 V HN 0.517 nan 8.190 nan 0.000 0.446 219 F N 0.215 120.148 119.950 -0.029 0.000 2.032 219 F HA -0.278 4.249 4.527 -0.001 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 -0.631 38.356 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 3.833 4.170 -0.001 0.000 0.249 220 I C 2.623 178.743 176.117 0.005 0.000 1.102 220 I CA 1.451 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 0.765 109.558 108.800 -0.012 0.000 2.464 221 G HA2 -0.183 3.776 3.960 -0.001 0.000 0.214 221 G HA3 -0.183 3.776 3.960 -0.001 0.000 0.214 221 G C 1.689 176.554 174.900 -0.059 0.000 1.218 221 G CA 0.893 45.963 45.100 -0.050 0.000 0.794 221 G HN 0.219 nan 8.290 nan 0.000 0.542 222 V N 1.529 121.395 119.914 -0.080 0.000 2.313 222 V HA -0.279 3.841 4.120 -0.001 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 31.217 31.823 -0.191 0.000 0.653 222 V HN 0.422 nan 8.190 nan 0.000 0.450 223 I N -1.148 119.395 120.570 -0.044 0.000 2.113 223 I HA -0.273 3.896 4.170 -0.001 0.000 0.238 223 I C 2.608 178.723 176.117 -0.003 0.000 1.070 223 I CA 1.537 62.832 61.300 -0.009 0.000 1.332 223 I CB -0.510 37.506 38.000 0.027 0.000 1.044 223 I HN 0.257 nan 8.210 nan 0.000 0.402 224 M N 0.273 119.864 119.600 -0.014 0.000 2.144 224 M HA -0.218 4.262 4.480 -0.001 0.000 0.260 224 M C 2.561 178.859 176.300 -0.003 0.000 1.067 224 M CA 1.686 56.975 55.300 -0.017 0.000 1.095 224 M CB -1.553 31.018 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 4.356 4.470 -0.001 0.000 0.220 225 S C 1.946 176.567 174.600 0.035 0.000 1.031 225 S CA 1.935 60.128 58.200 -0.013 0.000 0.996 225 S CB -0.176 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 0.025 4.374 4.350 -0.001 0.000 0.268 226 T C 1.691 176.469 174.700 0.130 0.000 1.044 226 T CA 1.501 63.642 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 0.628 121.251 120.570 0.087 0.000 2.286 227 I HA -0.167 4.002 4.170 -0.001 0.000 0.248 227 I C 2.467 178.662 176.117 0.130 0.000 1.115 227 I CA 0.899 62.253 61.300 0.090 0.000 1.392 227 I CB -0.380 37.652 38.000 0.053 0.000 1.065 227 I HN 0.217 nan 8.210 nan 0.000 0.418 228 M N -0.132 119.552 119.600 0.139 0.000 2.086 228 M HA -0.250 4.229 4.480 -0.001 0.000 0.261 228 M C 2.499 178.967 176.300 0.281 0.000 1.067 228 M CA 1.919 57.342 55.300 0.205 0.000 1.116 228 M CB -1.455 31.219 32.600 0.123 0.000 1.348 228 M HN 0.236 nan 8.290 nan 0.000 0.407 229 Y N 1.395 121.756 120.300 0.102 0.000 2.165 229 Y HA -0.236 4.314 4.550 -0.001 0.000 0.286 229 Y C 2.439 178.430 175.900 0.151 0.000 1.155 229 Y CA 1.833 59.996 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 -0.025 120.566 120.500 0.152 0.000 2.092 230 R HA -0.125 4.214 4.340 -0.001 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 29.593 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 -0.268 3.901 4.170 -0.001 0.000 0.246 231 I C 1.950 177.923 176.117 -0.241 0.000 1.093 231 I CA 1.642 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 0.500 120.387 119.950 -0.105 0.000 2.298 232 F HA 0.123 4.650 4.527 -0.001 0.000 0.282 232 F C 1.353 177.063 175.800 -0.149 0.000 1.045 232 F CA 0.186 58.119 58.000 -0.112 0.000 1.280 232 F CB -0.716 38.225 39.000 -0.098 0.000 1.114 232 F HN -0.015 nan 8.300 nan 0.000 0.546 233 N N 1.247 119.872 118.700 -0.125 0.000 3.050 233 N HA -0.033 4.707 4.740 -0.001 0.000 0.289 233 N C -0.608 174.800 175.510 -0.169 0.000 1.209 233 N CA 0.067 52.969 53.050 -0.246 0.000 1.154 233 N CB -0.791 37.332 38.487 -0.606 0.000 1.444 233 N HN 0.265 nan 8.380 nan 0.000 0.529 234 H N 1.526 120.516 119.070 -0.133 0.000 2.897 234 H HA -0.023 4.533 4.556 -0.001 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 4.213 4.350 -0.001 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 5.063 4.120 -0.001 0.000 0.309 236 V C -0.271 175.836 176.094 0.021 0.000 1.148 236 V CA -0.516 61.769 62.300 -0.027 0.000 0.990 236 V CB 2.265 34.087 31.823 -0.002 0.000 1.039 236 V HN 0.576 nan 8.190 nan 0.000 0.430 237 A N 2.345 125.165 122.820 0.000 0.000 2.408 237 A HA 0.757 5.076 4.320 -0.001 0.000 0.295 237 A C 0.174 177.714 177.584 -0.074 0.000 1.040 237 A CA -0.508 51.514 52.037 -0.025 0.000 0.707 237 A CB 1.346 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 4.369 4.340 -0.001 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 -0.631 119.736 120.570 -0.339 0.000 2.509 239 I HA 0.287 4.457 4.170 -0.001 0.000 0.293 239 I C -0.976 175.048 176.117 -0.155 0.000 1.020 239 I CA -0.489 60.656 61.300 -0.258 0.000 1.088 239 I CB 2.282 40.118 38.000 -0.273 0.000 1.267 239 I HN -0.103 nan 8.210 nan 0.000 0.430 240 D N 6.263 126.598 120.400 -0.108 0.000 2.476 240 D HA 0.419 5.059 4.640 -0.001 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 2.196 122.072 119.914 -0.063 0.000 2.715 241 V HA 0.701 4.820 4.120 -0.001 0.000 0.310 241 V C 1.520 177.586 176.094 -0.047 0.000 1.054 241 V CA -0.637 61.632 62.300 -0.052 0.000 0.928 241 V CB 1.617 33.409 31.823 -0.053 0.000 1.007 241 V HN 0.512 nan 8.190 nan 0.000 0.437 242 G N 2.818 111.595 108.800 -0.039 0.000 2.679 242 G HA2 0.211 4.170 3.960 -0.001 0.000 0.158 242 G HA3 0.211 4.170 3.960 -0.001 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 5.017 4.320 -0.001 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 0.181 nan 8.250 nan 0.000 0.431 244 L N 0.626 121.828 121.223 -0.035 0.000 2.347 244 L HA 0.502 4.842 4.340 -0.001 0.000 0.268 244 L C 0.326 177.180 176.870 -0.027 0.000 1.019 244 L CA -0.662 54.162 54.840 -0.027 0.000 0.806 244 L CB 1.145 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 0.050 4.519 4.470 -0.001 0.000 0.256 245 S C -0.384 174.193 174.600 -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 0.485 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 5.158 4.640 -0.001 0.000 0.258 246 D C -0.458 175.791 176.300 -0.085 0.000 1.146 246 D CA -0.328 53.631 54.000 -0.068 0.000 1.015 246 D CB 1.021 41.790 40.800 -0.051 0.000 1.107 246 D HN 0.520 nan 8.370 nan 0.000 0.529 247 A N 1.640 124.378 122.820 -0.137 0.000 2.536 247 A HA 0.415 4.735 4.320 -0.001 0.000 0.329 247 A C -2.288 175.212 177.584 -0.139 0.000 1.321 247 A CA -1.154 50.783 52.037 -0.166 0.000 0.804 247 A CB 0.388 19.185 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 0.883 178.129 177.300 -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 2.076 123.266 121.223 -0.056 0.000 2.013 249 L HA -0.222 4.118 4.340 -0.001 0.000 0.212 249 L C 1.927 178.792 176.870 -0.008 0.000 1.073 249 L CA 2.709 57.532 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 -1.720 116.961 118.700 -0.033 0.000 2.680 250 N HA -0.122 4.618 4.740 -0.001 0.000 0.197 250 N C 0.967 176.325 175.510 -0.253 0.000 1.288 250 N CA 1.022 54.054 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 4.593 4.350 -0.001 0.000 0.250 251 T C 1.484 176.066 174.700 -0.197 0.000 0.982 251 T CA -0.378 61.484 62.100 -0.397 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 1.868 123.092 121.223 0.002 0.000 2.030 252 L HA -0.228 4.112 4.340 -0.001 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 41.257 42.059 0.049 0.000 0.895 252 L HN 0.578 nan 8.230 nan 0.000 0.439 253 W N 0.382 121.721 121.300 0.064 0.000 2.305 253 W HA -0.263 4.397 4.660 -0.001 0.000 0.308 253 W C 1.979 178.546 176.519 0.079 0.000 1.226 253 W CA 0.984 58.367 57.345 0.063 0.000 1.253 253 W CB -1.522 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 0.090 120.839 121.223 -0.790 0.000 2.089 254 L HA -0.299 4.040 4.340 -0.001 0.000 0.213 254 L C 2.685 179.396 176.870 -0.265 0.000 1.079 254 L CA 2.032 56.461 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 -1.534 118.692 120.300 -0.123 0.000 2.509 255 Y HA -0.174 4.375 4.550 -0.001 0.000 0.293 255 Y C 2.050 177.861 175.900 -0.149 0.000 1.133 255 Y CA 0.407 58.402 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 -0.240 121.021 121.223 0.064 0.000 2.023 256 L HA -0.144 4.196 4.340 -0.001 0.000 0.205 256 L C 2.091 178.983 176.870 0.037 0.000 1.073 256 L CA 1.409 56.291 54.840 0.071 0.000 0.745 256 L CB -0.774 41.371 42.059 0.143 0.000 0.900 256 L HN 0.056 nan 8.230 nan 0.000 0.435 257 I N -0.243 120.376 120.570 0.082 0.000 2.113 257 I HA -0.353 3.817 4.170 -0.001 0.000 0.242 257 I C 2.604 178.664 176.117 -0.094 0.000 1.057 257 I CA 1.856 63.216 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 0.374 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 4.235 4.340 -0.001 0.000 0.210 258 L C 2.449 179.246 176.870 -0.122 0.000 1.076 258 L CA 2.302 56.748 54.840 -0.657 0.000 0.749 258 L CB -1.162 40.295 42.059 -1.005 0.000 0.893 258 L HN 0.241 nan 8.230 nan 0.000 0.432 259 G N -0.327 108.422 108.800 -0.085 0.000 2.418 259 G HA2 -0.257 3.703 3.960 -0.001 0.000 0.217 259 G HA3 -0.257 3.703 3.960 -0.001 0.000 0.217 259 G C 1.630 176.568 174.900 0.063 0.000 1.158 259 G CA 1.167 46.264 45.100 -0.004 0.000 0.771 259 G HN 0.483 nan 8.290 nan 0.000 0.545 260 I N 0.634 121.231 120.570 0.046 0.000 2.127 260 I HA -0.182 3.987 4.170 -0.001 0.000 0.241 260 I C 2.704 178.868 176.117 0.077 0.000 1.075 260 I CA 0.977 62.317 61.300 0.067 0.000 1.334 260 I CB -0.235 37.817 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 -0.325 3.845 4.170 -0.001 0.000 0.243 261 I C 2.392 178.513 176.117 0.006 0.000 1.085 261 I CA 1.710 63.026 61.300 0.028 0.000 1.347 261 I CB -0.458 37.529 38.000 -0.020 0.000 1.044 261 I HN 0.090 nan 8.210 nan 0.000 0.408 262 F N 1.172 121.101 119.950 -0.035 0.000 2.269 262 F HA -0.102 4.425 4.527 -0.001 0.000 0.301 262 F C 2.432 178.258 175.800 0.042 0.000 1.082 262 F CA 1.438 59.437 58.000 -0.002 0.000 1.360 262 F CB -0.801 38.158 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 3.724 3.960 -0.001 0.000 0.214 263 G HA3 -0.235 3.724 3.960 -0.001 0.000 0.214 263 G C 1.728 176.663 174.900 0.057 0.000 1.202 263 G CA 1.021 46.168 45.100 0.079 0.000 0.788 263 G HN 0.498 nan 8.290 nan 0.000 0.539 264 I N -2.462 118.147 120.570 0.066 0.000 2.286 264 I HA 0.013 4.183 4.170 -0.001 0.000 0.248 264 I C 2.491 178.625 176.117 0.028 0.000 1.115 264 I CA 1.443 62.773 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 0.164 4.691 4.527 -0.001 0.000 0.298 265 F C 2.378 178.116 175.800 -0.102 0.000 1.090 265 F CA 1.280 59.209 58.000 -0.119 0.000 1.323 265 F CB -0.674 38.223 39.000 -0.172 0.000 1.028 265 F HN 0.099 nan 8.300 nan 0.000 0.492 266 G N 1.920 110.746 108.800 0.044 0.000 2.649 266 G HA2 -0.323 3.636 3.960 -0.001 0.000 0.220 266 G HA3 -0.323 3.636 3.960 -0.001 0.000 0.220 266 G C -0.517 174.306 174.900 -0.129 0.000 1.189 266 G CA 1.252 46.360 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 1.265 64.269 63.100 -0.159 0.000 0.883 267 P CB -0.184 31.452 31.700 -0.108 0.000 0.788 268 I N -1.131 119.156 120.570 -0.471 0.000 2.113 268 I HA -0.301 3.869 4.170 -0.001 0.000 0.242 268 I C 2.630 178.050 176.117 -1.162 0.000 1.064 268 I CA 1.792 62.636 61.300 -0.760 0.000 1.320 268 I CB -0.894 36.588 38.000 -0.864 0.000 1.028 268 I HN -0.147 nan 8.210 nan 0.000 0.406 269 F N 2.041 121.189 119.950 -1.336 0.000 2.091 269 F HA -0.286 4.240 4.527 -0.001 0.000 0.299 269 F C 2.224 177.753 175.800 -0.451 0.000 1.103 269 F CA 2.147 59.547 58.000 -1.001 0.000 1.228 269 F CB -0.721 37.891 39.000 -0.648 0.000 0.984 269 F HN 0.116 nan 8.300 nan 0.000 0.477 270 N N 0.222 118.764 118.700 -0.263 0.000 2.036 270 N HA -0.262 4.478 4.740 -0.001 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 4.127 4.320 -0.001 0.000 0.212 271 K C 1.870 178.497 176.600 0.046 0.000 1.050 271 K CA 1.468 57.704 56.287 -0.085 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 4.532 4.660 -0.001 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 3.833 4.120 -0.001 0.000 0.250 273 V C 2.128 178.244 176.094 0.037 0.000 1.060 273 V CA 2.298 64.529 62.300 -0.115 0.000 1.042 273 V CB -0.794 30.911 31.823 -0.196 0.000 0.650 273 V HN 0.097 nan 8.190 nan 0.000 0.450 274 L N 1.229 122.460 121.223 0.014 0.000 2.068 274 L HA 0.257 4.596 4.340 -0.001 0.000 0.204 274 L C 2.323 179.210 176.870 0.027 0.000 1.076 274 L CA 2.390 57.255 54.840 0.042 0.000 0.753 274 L CB -1.338 40.741 42.059 0.034 0.000 0.910 274 L HN 0.355 nan 8.230 nan 0.000 0.439 275 G N -1.393 107.427 108.800 0.033 0.000 2.920 275 G HA2 -0.118 3.842 3.960 -0.001 0.000 0.208 275 G HA3 -0.118 3.842 3.960 -0.001 0.000 0.208 275 G C 1.359 176.267 174.900 0.013 0.000 1.159 275 G CA 0.456 45.575 45.100 0.031 0.000 0.784 275 G HN 0.392 nan 8.290 nan 0.000 0.535 276 M N 0.571 120.175 119.600 0.007 0.000 2.333 276 M HA 0.181 4.660 4.480 -0.001 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 32.994 32.600 -0.032 0.000 1.444 276 M HN 0.318 nan 8.290 nan 0.000 0.496 277 Q N -1.389 118.395 119.800 -0.026 0.000 2.365 277 Q HA 0.030 4.369 4.340 -0.001 0.000 0.203 277 Q C 0.075 176.049 176.000 -0.044 0.000 0.929 277 Q CA 0.293 56.067 55.803 -0.048 0.000 0.948 277 Q CB 0.236 28.935 28.738 -0.064 0.000 1.043 277 Q HN 0.403 nan 8.270 nan 0.000 0.505 278 D N 1.367 121.752 120.400 -0.025 0.000 2.652 278 D HA 0.074 4.713 4.640 -0.001 0.000 0.261 278 D C 1.487 177.787 176.300 0.000 0.000 1.024 278 D CA 0.425 54.428 54.000 0.004 0.000 0.958 278 D CB 0.163 40.967 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 4.336 4.340 -0.001 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 -1.950 119.194 121.223 -0.132 0.000 3.128 280 L HA 0.076 4.415 4.340 -0.001 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 4.729 4.556 -0.001 0.000 0.269 281 H C 1.068 176.370 175.328 -0.043 0.000 0.970 281 H CA 0.741 56.756 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 0.175 120.623 120.500 -0.087 0.000 4.031 282 R HA 0.186 4.525 4.340 -0.001 0.000 0.269 282 R C -0.220 175.992 176.300 -0.147 0.000 1.668 282 R CA 0.127 56.172 56.100 -0.091 0.000 1.432 282 R CB 0.541 30.812 30.300 -0.049 0.000 1.374 282 R HN 0.141 nan 8.270 nan 0.000 0.681 283 V N -1.545 118.229 119.914 -0.234 0.000 3.523 283 V HA -0.007 4.112 4.120 -0.001 0.000 0.273 283 V C 0.819 176.817 176.094 -0.160 0.000 1.675 283 V CA 0.053 62.216 62.300 -0.228 0.000 1.079 283 V CB 0.114 31.755 31.823 -0.303 0.000 0.901 283 V HN 0.645 nan 8.190 nan 0.000 0.406 284 H N -1.947 117.022 119.070 -0.168 0.000 3.787 284 H HA 0.340 4.895 4.556 -0.001 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 1.413 110.272 108.800 0.098 0.000 2.271 285 G HA2 -0.294 3.666 3.960 -0.001 0.000 0.283 285 G HA3 -0.294 3.666 3.960 -0.001 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 1.467 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 3.721 3.960 -0.001 0.000 0.189 286 G HA3 -0.239 3.721 3.960 -0.001 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 0.108 4.848 4.740 -0.001 0.000 0.272 287 N C 1.576 177.165 175.510 0.132 0.000 1.304 287 N CA 0.014 53.123 53.050 0.098 0.000 0.906 287 N CB 0.228 38.774 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 3.981 4.170 -0.001 0.000 0.277 288 I C 1.783 177.927 176.117 0.046 0.000 1.306 288 I CA 1.100 62.416 61.300 0.028 0.000 1.426 288 I CB -0.342 37.666 38.000 0.013 0.000 1.081 288 I HN 0.539 nan 8.210 nan 0.000 0.502 289 T N -1.683 112.911 114.554 0.067 0.000 3.174 289 T HA 0.068 4.418 4.350 -0.001 0.000 0.252 289 T C 1.753 176.513 174.700 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 0.692 121.165 120.400 0.121 0.000 2.160 290 K HA -0.151 4.169 4.320 -0.001 0.000 0.206 290 K C 1.965 178.696 176.600 0.219 0.000 1.047 290 K CA 1.267 57.631 56.287 0.129 0.000 0.930 290 K CB -0.061 32.512 32.500 0.122 0.000 0.720 290 K HN 0.373 nan 8.250 nan 0.000 0.450 291 W N 1.402 122.766 121.300 0.108 0.000 2.381 291 W HA -0.158 4.501 4.660 -0.001 0.000 0.321 291 W C 1.736 178.271 176.519 0.027 0.000 1.196 291 W CA 0.969 58.436 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 1.807 121.936 119.914 0.358 0.000 2.546 292 V HA -0.317 3.802 4.120 -0.001 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 30.880 31.823 0.062 0.000 0.674 292 V HN 0.167 nan 8.190 nan 0.000 0.470 293 L N -1.517 119.715 121.223 0.014 0.000 2.127 293 L HA -0.063 4.277 4.340 -0.001 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 -0.445 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 0.085 119.637 119.600 -0.080 0.000 2.159 294 M HA -0.140 4.339 4.480 -0.001 0.000 0.263 294 M C 2.058 178.201 176.300 -0.262 0.000 1.063 294 M CA 2.108 57.322 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 -0.172 3.787 3.960 -0.001 0.000 0.215 295 G HA3 -0.172 3.787 3.960 -0.001 0.000 0.215 295 G C 1.403 176.027 174.900 -0.461 0.000 1.201 295 G CA 0.779 45.153 45.100 -1.209 0.000 0.784 295 G HN 0.596 nan 8.290 nan 0.000 0.545 296 G N 1.025 109.655 108.800 -0.282 0.000 2.532 296 G HA2 -0.004 3.955 3.960 -0.001 0.000 0.222 296 G HA3 -0.004 3.955 3.960 -0.001 0.000 0.222 296 G C 1.887 176.707 174.900 -0.132 0.000 1.102 296 G CA 1.696 46.736 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 4.367 4.320 -0.001 0.000 0.214 297 A C 2.432 179.960 177.584 -0.093 0.000 1.212 297 A CA 1.544 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 -1.883 118.652 120.570 -0.059 0.000 2.361 298 I HA -0.049 4.121 4.170 -0.001 0.000 0.251 298 I C 2.248 178.347 176.117 -0.030 0.000 1.133 298 I CA 1.553 62.843 61.300 -0.016 0.000 1.413 298 I CB -1.149 36.872 38.000 0.036 0.000 1.073 298 I HN 0.212 nan 8.210 nan 0.000 0.424 299 G N 1.409 110.194 108.800 -0.025 0.000 2.418 299 G HA2 -0.147 3.812 3.960 -0.001 0.000 0.217 299 G HA3 -0.147 3.812 3.960 -0.001 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 0.537 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 3.832 3.960 -0.001 0.000 0.215 300 G HA3 -0.127 3.832 3.960 -0.001 0.000 0.215 300 G C 1.749 176.297 174.900 -0.586 0.000 1.174 300 G CA 0.995 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 0.949 121.966 121.223 -0.343 0.000 2.103 301 L HA -0.182 4.157 4.340 -0.001 0.000 0.215 301 L C 2.640 179.514 176.870 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 41.111 42.059 0.037 0.000 0.890 301 L HN 0.291 nan 8.230 nan 0.000 0.435 302 C N -0.352 118.930 119.300 -0.030 0.000 2.453 302 C HA 0.015 4.475 4.460 -0.001 0.000 0.277 302 C C 2.800 177.804 174.990 0.023 0.000 1.262 302 C CA 0.525 59.551 59.018 0.012 0.000 1.718 302 C CB -1.918 25.833 27.740 0.019 0.000 2.031 302 C HN 0.754 nan 8.230 nan 0.000 0.480 303 G N 0.337 109.127 108.800 -0.017 0.000 2.450 303 G HA2 -0.221 3.739 3.960 -0.001 0.000 0.220 303 G HA3 -0.221 3.739 3.960 -0.001 0.000 0.220 303 G C 1.519 176.473 174.900 0.090 0.000 1.130 303 G CA 1.044 46.154 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 0.185 4.524 4.340 -0.001 0.000 0.205 304 L C 2.682 179.667 176.870 0.192 0.000 1.073 304 L CA 1.300 56.257 54.840 0.196 0.000 0.745 304 L CB -0.467 41.741 42.059 0.248 0.000 0.900 304 L HN 0.193 nan 8.230 nan 0.000 0.435 305 L N -0.516 120.790 121.223 0.140 0.000 2.191 305 L HA -0.112 4.227 4.340 -0.001 0.000 0.212 305 L C 2.432 179.368 176.870 0.112 0.000 1.103 305 L CA 0.989 55.900 54.840 0.118 0.000 0.769 305 L CB -1.275 40.834 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 3.659 3.960 -0.001 0.000 0.220 306 G HA3 -0.301 3.659 3.960 -0.001 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 0.690 120.668 119.950 0.048 0.000 2.553 307 F HA 0.274 4.801 4.527 -0.001 0.000 0.282 307 F C 0.806 176.644 175.800 0.064 0.000 1.089 307 F CA -0.151 57.876 58.000 0.044 0.000 1.411 307 F CB 0.707 39.726 39.000 0.032 0.000 1.125 307 F HN 0.001 nan 8.300 nan 0.000 0.610 308 V N -0.048 119.900 119.914 0.057 0.000 2.275 308 V HA 0.811 4.930 4.120 -0.001 0.000 0.272 308 V C 0.044 176.167 176.094 0.048 0.000 1.028 308 V CA -0.963 61.337 62.300 -0.000 0.000 0.810 308 V CB -0.223 31.671 31.823 0.118 0.000 1.043 308 V HN 0.701 nan 8.190 nan 0.000 0.453 309 A N 5.110 127.942 122.820 0.020 0.000 2.451 309 A HA -0.018 4.302 4.320 -0.001 0.000 0.273 309 A C -1.730 175.887 177.584 0.055 0.000 1.384 309 A CA 0.241 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 0.104 nan 4.420 nan 0.000 0.229 310 P C 1.674 178.988 177.300 0.023 0.000 1.160 310 P CA 1.223 64.344 63.100 0.035 0.000 0.777 310 P CB 0.191 31.914 31.700 0.037 0.000 0.814 311 A N -0.037 122.791 122.820 0.014 0.000 2.076 311 A HA -0.172 4.148 4.320 -0.001 0.000 0.220 311 A C 2.096 179.616 177.584 -0.107 0.000 1.160 311 A CA 2.288 54.308 52.037 -0.029 0.000 0.653 311 A CB -1.733 17.211 19.000 -0.093 0.000 0.801 311 A HN 0.346 nan 8.150 nan 0.000 0.455 312 T N -4.012 110.471 114.554 -0.119 0.000 3.051 312 T HA 0.199 4.549 4.350 -0.001 0.000 0.255 312 T C 1.210 175.875 174.700 -0.058 0.000 1.085 312 T CA 0.908 62.920 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 -0.232 115.458 115.700 -0.016 0.000 2.618 313 S HA 0.659 5.128 4.470 -0.001 0.000 0.284 313 S C 0.560 175.162 174.600 0.003 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 3.955 3.960 -0.001 0.000 0.686 314 G HA3 -0.004 3.955 3.960 -0.001 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 4.410 3.960 -0.001 0.000 0.208 315 G HA3 0.450 4.410 3.960 -0.001 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 0.475 109.149 108.800 -0.210 0.000 3.299 316 G HA2 -0.226 3.733 3.960 -0.001 0.000 0.251 316 G HA3 -0.226 3.733 3.960 -0.001 0.000 0.251 316 G C 0.998 175.846 174.900 -0.087 0.000 1.741 316 G CA 0.538 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 2.805 122.748 119.950 -0.011 0.000 2.481 317 F HA 0.079 4.605 4.527 -0.001 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 4.577 4.740 -0.001 0.000 0.196 318 N C 1.133 176.760 175.510 0.195 0.000 1.129 318 N CA 1.318 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 -2.176 119.153 121.223 0.177 0.000 3.583 319 L HA 0.079 4.418 4.340 -0.001 0.000 0.402 319 L C 1.297 178.232 176.870 0.108 0.000 0.981 319 L CA 0.072 54.979 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 1.843 122.497 120.570 0.139 0.000 2.052 320 I HA -0.186 3.983 4.170 -0.001 0.000 0.235 320 I C -0.434 175.751 176.117 0.114 0.000 1.046 320 I CA 1.991 63.380 61.300 0.148 0.000 1.308 320 I CB -1.994 36.090 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 -0.897 119.679 120.570 0.009 0.000 2.900 322 I HA 0.109 4.278 4.170 -0.001 0.000 0.251 322 I C 2.386 178.465 176.117 -0.064 0.000 1.102 322 I CA 0.833 62.116 61.300 -0.028 0.000 1.457 322 I CB -1.817 36.165 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 4.139 4.320 -0.001 0.000 0.219 323 A C 2.286 179.639 177.584 -0.384 0.000 1.159 323 A CA 2.424 54.327 52.037 -0.224 0.000 0.680 323 A CB -1.198 17.681 19.000 -0.202 0.000 0.787 323 A HN 0.596 nan 8.150 nan 0.000 0.467 324 T N -4.792 109.675 114.554 -0.145 0.000 3.038 324 T HA 0.396 4.745 4.350 -0.001 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 -0.385 68.616 68.868 0.222 0.000 0.954 324 T HN 0.560 nan 8.240 nan 0.000 0.469 325 A N 0.742 123.563 122.820 0.000 0.000 2.253 325 A HA 0.557 4.877 4.320 -0.001 0.000 0.203 325 A C 1.813 179.392 177.584 -0.008 0.000 1.272 325 A CA 0.954 52.996 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 -0.214 108.562 108.800 -0.039 0.000 2.570 326 G HA2 0.257 4.216 3.960 -0.001 0.000 0.213 326 G HA3 0.257 4.216 3.960 -0.001 0.000 0.213 326 G C -0.023 174.841 174.900 -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 -0.670 117.949 118.700 -0.136 0.000 2.785 327 N HA 0.414 5.153 4.740 -0.001 0.000 0.224 327 N C -1.698 173.736 175.510 -0.125 0.000 1.448 327 N CA -0.540 52.442 53.050 -0.113 0.000 0.748 327 N CB -0.022 38.404 38.487 -0.103 0.000 1.385 327 N HN 0.014 nan 8.380 nan 0.000 0.538 328 F N 0.888 120.850 119.950 0.019 0.000 2.522 328 F HA 0.633 5.160 4.527 -0.001 0.000 0.324 328 F C 0.899 176.712 175.800 0.022 0.000 1.077 328 F CA -1.282 56.733 58.000 0.025 0.000 0.944 328 F CB 2.010 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 2.785 118.652 115.700 0.279 0.000 2.562 329 S HA 0.091 4.560 4.470 -0.001 0.000 0.281 329 S C 1.295 175.951 174.600 0.094 0.000 1.333 329 S CA -0.666 57.614 58.200 0.134 0.000 1.052 329 S CB 0.670 63.928 63.200 0.096 0.000 0.884 329 S HN 0.791 nan 8.310 nan 0.000 0.506 330 M N 4.165 123.797 119.600 0.054 0.000 2.113 330 M HA -0.079 4.400 4.480 -0.001 0.000 0.255 330 M C 1.961 178.276 176.300 0.025 0.000 1.073 330 M CA 2.576 57.891 55.300 0.026 0.000 1.091 330 M CB -1.570 31.029 32.600 -0.000 0.000 1.309 330 M HN 0.934 nan 8.290 nan 0.000 0.407 331 G N -0.472 108.345 108.800 0.028 0.000 2.459 331 G HA2 -0.285 3.674 3.960 -0.001 0.000 0.217 331 G HA3 -0.285 3.674 3.960 -0.001 0.000 0.217 331 G C 1.470 176.403 174.900 0.055 0.000 1.183 331 G CA 1.340 46.460 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 0.034 0.000 2.108 332 M HA -0.034 4.446 4.480 -0.001 0.000 0.257 332 M C 2.373 178.620 176.300 -0.088 0.000 1.071 332 M CA 1.270 56.565 55.300 -0.008 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 -1.468 119.706 121.223 -0.080 0.000 1.971 333 L HA -0.281 4.058 4.340 -0.001 0.000 0.215 333 L C 2.303 179.179 176.870 0.010 0.000 1.072 333 L CA 1.629 56.430 54.840 -0.065 0.000 0.758 333 L CB -1.101 40.957 42.059 -0.001 0.000 0.889 333 L HN 0.174 nan 8.230 nan 0.000 0.433 334 V N -0.117 119.832 119.914 0.058 0.000 2.278 334 V HA -0.390 3.729 4.120 -0.001 0.000 0.251 334 V C 2.150 178.360 176.094 0.195 0.000 1.062 334 V CA 2.414 64.793 62.300 0.132 0.000 1.038 334 V CB -0.719 31.169 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 -0.271 4.256 4.527 -0.001 0.000 0.296 335 F C 2.349 178.143 175.800 -0.009 0.000 1.144 335 F CA 2.269 60.259 58.000 -0.016 0.000 1.185 335 F CB -0.236 38.730 39.000 -0.057 0.000 0.961 335 F HN 0.043 nan 8.300 nan 0.000 0.485 336 I N -0.105 120.191 120.570 -0.457 0.000 2.181 336 I HA -0.378 3.792 4.170 -0.001 0.000 0.247 336 I C 2.358 178.347 176.117 -0.213 0.000 1.081 336 I CA 1.746 62.733 61.300 -0.522 0.000 1.340 336 I CB -0.797 36.989 38.000 -0.357 0.000 1.036 336 I HN 0.308 nan 8.210 nan 0.000 0.417 337 F N 1.613 121.444 119.950 -0.198 0.000 2.046 337 F HA -0.219 4.308 4.527 -0.001 0.000 0.297 337 F C 2.412 178.169 175.800 -0.071 0.000 1.123 337 F CA 1.889 59.816 58.000 -0.122 0.000 1.199 337 F CB -0.803 38.135 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 -0.154 0.000 2.255 338 V HA -0.312 3.808 4.120 -0.001 0.000 0.247 338 V C 2.800 178.801 176.094 -0.156 0.000 1.051 338 V CA 1.951 64.142 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 0.478 123.186 122.820 -0.186 0.000 1.884 339 A HA -0.309 4.010 4.320 -0.001 0.000 0.219 339 A C 2.375 179.864 177.584 -0.157 0.000 1.197 339 A CA 2.511 54.419 52.037 -0.213 0.000 0.637 339 A CB -0.586 18.054 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 4.325 4.340 -0.001 0.000 0.228 340 R C 1.994 178.268 176.300 -0.044 0.000 1.110 340 R CA 1.152 57.194 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 1.981 121.824 119.914 -0.119 0.000 2.317 341 V HA -0.296 3.823 4.120 -0.001 0.000 0.251 341 V C 2.254 178.418 176.094 0.117 0.000 1.065 341 V CA 1.879 64.187 62.300 0.012 0.000 1.049 341 V CB -0.458 31.311 31.823 -0.091 0.000 0.651 341 V HN 0.244 nan 8.190 nan 0.000 0.450 342 I N 0.427 121.010 120.570 0.022 0.000 2.186 342 I HA -0.203 3.966 4.170 -0.001 0.000 0.228 342 I C 2.857 179.005 176.117 0.052 0.000 1.062 342 I CA 1.880 63.191 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 4.051 4.350 -0.001 0.000 0.265 343 T C 1.715 176.471 174.700 0.093 0.000 1.031 343 T CA 2.430 64.561 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 4.441 4.350 -0.001 0.000 0.264 344 T C 1.976 176.817 174.700 0.235 0.000 1.045 344 T CA 1.522 63.724 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 0.294 121.653 121.223 0.228 0.000 1.955 345 L HA -0.119 4.221 4.340 -0.001 0.000 0.213 345 L C 2.537 179.516 176.870 0.181 0.000 1.072 345 L CA 1.037 56.000 54.840 0.205 0.000 0.755 345 L CB -0.807 41.315 42.059 0.103 0.000 0.888 345 L HN 0.176 nan 8.230 nan 0.000 0.432 346 L N -0.270 121.023 121.223 0.116 0.000 2.054 346 L HA -0.347 3.992 4.340 -0.001 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 -0.570 41.528 42.059 0.065 0.000 0.893 346 L HN 0.403 nan 8.230 nan 0.000 0.438 347 C N -2.329 117.081 119.300 0.184 0.000 2.486 347 C HA -0.059 4.401 4.460 -0.001 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 2.364 122.393 119.950 0.130 0.000 2.074 348 F HA -0.076 4.450 4.527 -0.001 0.000 0.293 348 F C 2.529 178.408 175.800 0.133 0.000 1.116 348 F CA 1.956 60.036 58.000 0.134 0.000 1.212 348 F CB -0.822 38.267 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 -0.268 4.202 4.470 -0.001 0.000 0.230 349 S C 2.302 176.872 174.600 -0.050 0.000 1.035 349 S CA 1.523 59.672 58.200 -0.084 0.000 1.014 349 S CB -0.944 62.268 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 -0.007 4.463 4.470 -0.001 0.000 0.223 350 S C 1.666 176.431 174.600 0.276 0.000 1.039 350 S CA 1.592 59.882 58.200 0.149 0.000 1.042 350 S CB -0.819 62.597 63.200 0.359 0.000 0.915 350 S HN 1.092 nan 8.310 nan 0.000 0.439 351 G N 0.218 109.131 108.800 0.188 0.000 2.148 351 G HA2 0.265 4.225 3.960 -0.001 0.000 0.120 351 G HA3 0.265 4.225 3.960 -0.001 0.000 0.120 351 G C -0.001 174.925 174.900 0.043 0.000 1.034 351 G CA -0.057 45.156 45.100 0.188 0.000 0.710 351 G HN 1.152 nan 8.290 nan 0.000 0.495 352 A N 0.904 123.635 122.820 -0.148 0.000 2.322 352 A HA 0.812 5.132 4.320 -0.001 0.000 0.269 352 A C -1.629 175.895 177.584 -0.101 0.000 1.094 352 A CA -1.222 50.571 52.037 -0.406 0.000 0.807 352 A CB 0.460 19.079 19.000 -0.636 0.000 1.047 352 A HN 0.199 nan 8.150 nan 0.000 0.487 353 P HA 0.346 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 1.061 64.184 63.100 0.038 0.000 0.762 353 P CB 0.516 32.248 31.700 0.053 0.000 0.799 354 G N 1.644 110.531 108.800 0.145 0.000 2.521 354 G HA2 0.367 4.327 3.960 -0.001 0.000 0.589 354 G HA3 0.367 4.327 3.960 -0.001 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 -0.656 108.267 108.800 0.205 0.000 2.531 355 G HA2 0.726 4.686 3.960 -0.001 0.000 0.313 355 G HA3 0.726 4.686 3.960 -0.001 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 -2.438 118.023 120.570 -0.182 0.000 3.904 356 I HA 0.386 4.556 4.170 -0.001 0.000 0.333 356 I C 1.388 177.520 176.117 0.024 0.000 1.361 356 I CA -0.198 60.997 61.300 -0.175 0.000 1.116 356 I CB -0.028 37.730 38.000 -0.403 0.000 1.028 356 I HN 0.314 nan 8.210 nan 0.000 0.398 357 F N 2.853 122.793 119.950 -0.016 0.000 2.031 357 F HA -0.118 4.409 4.527 -0.001 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 1.323 124.256 122.820 0.188 0.000 1.849 358 A HA -0.174 4.145 4.320 -0.001 0.000 0.217 358 A C -0.217 177.286 177.584 -0.136 0.000 1.202 358 A CA 2.179 54.206 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 1.315 178.559 177.300 -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 -1.678 117.844 119.600 -0.130 0.000 2.558 360 M HA 0.032 4.511 4.480 -0.001 0.000 0.255 360 M C 2.071 178.273 176.300 -0.163 0.000 1.113 360 M CA 0.740 55.938 55.300 -0.171 0.000 1.097 360 M CB -0.265 32.213 32.600 -0.204 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 4.285 4.340 -0.001 0.000 0.204 361 L C 2.789 179.608 176.870 -0.086 0.000 1.076 361 L CA 0.934 55.664 54.840 -0.183 0.000 0.753 361 L CB -0.724 41.206 42.059 -0.215 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 4.091 4.320 -0.001 0.000 0.216 362 A C 2.224 179.826 177.584 0.030 0.000 1.199 362 A CA 1.710 53.743 52.037 -0.006 0.000 0.621 362 A CB -1.019 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 -0.630 120.618 121.223 0.042 0.000 2.021 363 L HA -0.250 4.090 4.340 -0.001 0.000 0.215 363 L C 2.847 179.787 176.870 0.116 0.000 1.074 363 L CA 1.444 56.373 54.840 0.149 0.000 0.760 363 L CB -1.026 41.108 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 3.704 3.960 -0.001 0.000 0.217 364 G HA3 -0.255 3.704 3.960 -0.001 0.000 0.217 364 G C 1.544 176.513 174.900 0.116 0.000 1.168 364 G CA 1.333 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 0.900 115.470 114.554 0.026 0.000 2.720 365 T HA -0.121 4.228 4.350 -0.001 0.000 0.268 365 T C 2.535 177.261 174.700 0.043 0.000 1.037 365 T CA 1.319 63.432 62.100 0.021 0.000 1.144 365 T CB -0.299 68.579 68.868 0.016 0.000 0.864 365 T HN 0.077 nan 8.240 nan 0.000 0.444 366 V N 1.418 121.353 119.914 0.035 0.000 2.358 366 V HA -0.083 4.037 4.120 -0.001 0.000 0.246 366 V C 2.379 178.402 176.094 -0.119 0.000 1.047 366 V CA 1.236 63.540 62.300 0.007 0.000 1.035 366 V CB -0.680 31.168 31.823 0.041 0.000 0.658 366 V HN 0.315 nan 8.190 nan 0.000 0.452 367 L N 1.424 122.486 121.223 -0.268 0.000 2.093 367 L HA 0.048 4.388 4.340 -0.001 0.000 0.208 367 L C 2.287 179.110 176.870 -0.079 0.000 1.085 367 L CA 2.318 56.882 54.840 -0.459 0.000 0.755 367 L CB -1.276 40.287 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 -0.223 3.737 3.960 -0.001 0.000 0.216 368 G HA3 -0.223 3.737 3.960 -0.001 0.000 0.216 368 G C 1.406 176.415 174.900 0.182 0.000 1.162 368 G CA 1.110 46.324 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 4.293 4.350 -0.001 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 68.337 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 0.009 0.000 1.903 370 A HA -0.164 4.155 4.320 -0.001 0.000 0.219 370 A C 2.046 179.593 177.584 -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 0.860 120.716 119.950 -0.157 0.000 2.069 371 F HA -0.068 4.458 4.527 -0.001 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 -0.221 0.000 1.214 371 F CB -0.789 38.119 39.000 -0.152 0.000 0.978 371 F HN 0.226 nan 8.300 nan 0.000 0.474 372 G N 0.699 109.356 108.800 -0.238 0.000 2.514 372 G HA2 -0.313 3.646 3.960 -0.001 0.000 0.217 372 G HA3 -0.313 3.646 3.960 -0.001 0.000 0.217 372 G C 1.631 176.292 174.900 -0.397 0.000 1.198 372 G CA 1.199 45.942 45.100 -0.595 0.000 0.780 372 G HN 0.286 nan 8.290 nan 0.000 0.565 373 M N 0.175 119.664 119.600 -0.185 0.000 2.240 373 M HA -0.206 4.273 4.480 -0.001 0.000 0.250 373 M C 2.687 178.873 176.300 -0.191 0.000 1.075 373 M CA 1.466 56.687 55.300 -0.131 0.000 1.072 373 M CB -1.394 31.157 32.600 -0.082 0.000 1.305 373 M HN 0.172 nan 8.290 nan 0.000 0.414 374 V N -0.080 119.662 119.914 -0.286 0.000 2.244 374 V HA -0.214 3.906 4.120 -0.001 0.000 0.244 374 V C 2.659 178.564 176.094 -0.315 0.000 1.042 374 V CA 1.947 64.064 62.300 -0.305 0.000 1.006 374 V CB -1.476 30.116 31.823 -0.385 0.000 0.641 374 V HN 0.569 nan 8.190 nan 0.000 0.446 375 A N -0.050 122.460 122.820 -0.516 0.000 1.986 375 A HA -0.191 4.129 4.320 -0.001 0.000 0.220 375 A C 2.381 179.918 177.584 -0.077 0.000 1.171 375 A CA 2.194 54.027 52.037 -0.340 0.000 0.640 375 A CB -0.801 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 1.066 120.881 119.914 -0.165 0.000 2.287 376 V HA -0.304 3.816 4.120 -0.001 0.000 0.248 376 V C 2.430 178.516 176.094 -0.012 0.000 1.053 376 V CA 2.381 64.660 62.300 -0.036 0.000 1.027 376 V CB -0.962 30.837 31.823 -0.039 0.000 0.646 376 V HN 0.923 nan 8.190 nan 0.000 0.447 377 E N -0.221 119.939 120.200 -0.066 0.000 2.478 377 E HA 0.026 4.376 4.350 -0.001 0.000 0.194 377 E C 1.919 178.429 176.600 -0.150 0.000 1.045 377 E CA 0.387 56.735 56.400 -0.086 0.000 0.868 377 E CB -0.079 29.568 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 4.503 4.340 -0.001 0.000 0.212 378 L C 0.268 176.695 176.870 -0.738 0.000 1.091 378 L CA 0.356 54.899 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 0.108 119.937 119.950 -0.203 0.000 2.531 379 F HA 0.328 4.854 4.527 -0.001 0.000 0.333 379 F C -1.699 173.948 175.800 -0.256 0.000 1.292 379 F CA -2.268 55.530 58.000 -0.336 0.000 1.184 379 F CB 0.116 38.764 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 0.618 177.797 177.300 -0.201 0.000 1.197 380 P CA 0.948 63.989 63.100 -0.099 0.000 0.765 380 P CB 0.206 31.848 31.700 -0.097 0.000 0.936 381 Q N -1.697 117.997 119.800 -0.177 0.000 2.432 381 Q HA -0.047 4.293 4.340 -0.001 0.000 0.205 381 Q C 1.401 177.415 176.000 0.023 0.000 0.945 381 Q CA 0.716 56.430 55.803 -0.149 0.000 0.924 381 Q CB -0.621 28.036 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 4.648 4.550 -0.001 0.000 0.258 382 Y C -0.197 175.754 175.900 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 0.770 119.982 119.070 0.237 0.000 2.702 383 H HA -0.130 4.425 4.556 -0.001 0.000 0.328 383 H C -0.598 174.819 175.328 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 0.787 122.160 121.223 0.249 0.000 2.344 384 L HA 0.404 4.743 4.340 -0.001 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 1.811 44.030 42.059 0.267 0.000 1.237 384 L HN 0.333 nan 8.230 nan 0.000 0.442 385 E N 0.651 120.971 120.200 0.200 0.000 2.165 385 E HA 0.384 4.733 4.350 -0.001 0.000 0.266 385 E C 0.257 176.993 176.600 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 31.727 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 4.127 4.320 -0.001 0.000 0.219 386 A C 1.933 179.675 177.584 0.263 0.000 1.182 386 A CA 2.084 54.238 52.037 0.195 0.000 0.633 386 A CB -1.200 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 -0.042 108.851 108.800 0.155 0.000 2.649 387 G HA2 -0.427 3.533 3.960 -0.001 0.000 0.220 387 G HA3 -0.427 3.533 3.960 -0.001 0.000 0.220 387 G C 1.835 176.796 174.900 0.102 0.000 1.189 387 G CA 2.997 48.160 45.100 0.104 0.000 0.777 387 G HN 0.914 nan 8.290 nan 0.000 0.602 388 T N -1.049 113.558 114.554 0.089 0.000 2.721 388 T HA -0.191 4.159 4.350 -0.001 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 68.278 68.868 -0.082 0.000 0.858 388 T HN 0.203 nan 8.240 nan 0.000 0.459 389 F N 1.824 121.866 119.950 0.153 0.000 2.407 389 F HA 0.396 4.923 4.527 -0.001 0.000 0.299 389 F C 2.800 178.631 175.800 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 0.081 0.000 1.067 389 F HN 0.299 nan 8.300 nan 0.000 0.539 390 A N 0.133 123.065 122.820 0.186 0.000 1.872 390 A HA -0.063 4.257 4.320 -0.001 0.000 0.214 390 A C 2.032 179.615 177.584 -0.001 0.000 1.187 390 A CA 1.329 53.419 52.037 0.088 0.000 0.614 390 A CB -0.792 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 0.393 120.946 120.570 -0.029 0.000 2.315 391 I HA -0.174 3.996 4.170 -0.001 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 -0.623 37.311 38.000 -0.111 0.000 1.071 391 I HN 0.305 nan 8.210 nan 0.000 0.419 392 A N 0.309 123.051 122.820 -0.130 0.000 1.865 392 A HA -0.110 4.209 4.320 -0.001 0.000 0.217 392 A C 2.269 179.704 177.584 -0.248 0.000 1.191 392 A CA 1.885 53.819 52.037 -0.173 0.000 0.623 392 A CB -1.454 17.535 19.000 -0.018 0.000 0.826 392 A HN 0.439 nan 8.150 nan 0.000 0.444 393 G N -1.410 107.244 108.800 -0.243 0.000 3.327 393 G HA2 0.251 4.210 3.960 -0.001 0.000 0.240 393 G HA3 0.251 4.210 3.960 -0.001 0.000 0.240 393 G C 1.063 175.712 174.900 -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 0.278 119.714 119.600 -0.274 0.000 2.123 394 M HA 0.122 4.601 4.480 -0.001 0.000 0.263 394 M C 2.069 178.209 176.300 -0.267 0.000 1.069 394 M CA 1.830 57.003 55.300 -0.212 0.000 1.133 394 M CB 0.192 32.687 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 4.340 3.960 -0.001 0.000 0.258 395 G HA3 0.381 4.340 3.960 -0.001 0.000 0.258 395 G C 1.067 175.771 174.900 -0.327 0.000 1.128 395 G CA 0.428 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 0.143 4.462 4.320 -0.001 0.000 0.218 396 A C 2.111 179.489 177.584 -0.343 0.000 1.163 396 A CA 0.621 52.231 52.037 -0.713 0.000 0.652 396 A CB -0.148 17.854 19.000 -1.665 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 4.307 4.340 -0.001 0.000 0.205 397 L C 2.329 179.195 176.870 -0.006 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 4.093 4.340 -0.001 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 -0.139 0.000 0.890 398 L HN 0.303 nan 8.230 nan 0.000 0.432 399 A N -0.277 122.509 122.820 -0.056 0.000 1.940 399 A HA -0.149 4.171 4.320 -0.001 0.000 0.219 399 A C 2.402 179.982 177.584 -0.008 0.000 1.176 399 A CA 1.961 53.975 52.037 -0.038 0.000 0.631 399 A CB -0.528 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 -1.929 120.909 122.820 0.029 0.000 2.044 400 A HA 0.233 4.553 4.320 -0.001 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 0.488 nan 8.150 nan 0.000 0.463 401 S N 0.189 115.911 115.700 0.037 0.000 2.357 401 S HA 0.021 4.490 4.470 -0.001 0.000 0.209 401 S C 1.796 176.394 174.600 -0.003 0.000 1.023 401 S CA 0.890 59.110 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 -0.721 119.822 120.570 -0.046 0.000 3.564 402 I HA 0.329 4.498 4.170 -0.001 0.000 0.294 402 I C -0.011 176.124 176.117 0.031 0.000 1.289 402 I CA 0.049 61.301 61.300 -0.081 0.000 1.325 402 I CB -0.538 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 4.175 4.340 -0.001 0.000 0.244 403 R C -0.082 176.253 176.300 0.059 0.000 0.900 403 R CA 0.514 56.633 56.100 0.032 0.000 0.618 403 R CB -1.769 28.542 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 4.761 4.320 -0.001 0.000 0.307 404 A C -1.860 175.785 177.584 0.101 0.000 1.003 404 A CA -1.278 50.837 52.037 0.130 0.000 0.882 404 A CB 0.852 20.012 19.000 0.268 0.000 1.136 404 A HN 0.053 nan 8.150 nan 0.000 0.488 405 P HA -0.223 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 0.920 64.020 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 -0.218 4.121 4.340 -0.001 0.000 0.215 406 L C 2.118 179.020 176.870 0.053 0.000 1.074 406 L CA 2.273 57.131 54.840 0.029 0.000 0.760 406 L CB -1.581 40.501 42.059 0.037 0.000 0.889 406 L HN -0.004 nan 8.230 nan 0.000 0.433 407 T N -0.920 113.699 114.554 0.108 0.000 2.833 407 T HA -0.093 4.256 4.350 -0.001 0.000 0.269 407 T C 1.634 176.391 174.700 0.094 0.000 1.054 407 T CA 1.094 63.283 62.100 0.148 0.000 1.135 407 T CB -0.750 68.299 68.868 0.301 0.000 0.869 407 T HN 0.619 nan 8.240 nan 0.000 0.466 408 G N 2.099 110.932 108.800 0.056 0.000 2.434 408 G HA2 -0.121 3.838 3.960 -0.001 0.000 0.214 408 G HA3 -0.121 3.838 3.960 -0.001 0.000 0.214 408 G C 1.447 176.303 174.900 -0.072 0.000 1.202 408 G CA 0.438 45.517 45.100 -0.035 0.000 0.788 408 G HN 0.352 nan 8.290 nan 0.000 0.539 409 I N 1.038 121.567 120.570 -0.067 0.000 2.091 409 I HA -0.170 3.999 4.170 -0.001 0.000 0.239 409 I C 2.798 178.879 176.117 -0.059 0.000 1.061 409 I CA 1.160 62.410 61.300 -0.085 0.000 1.317 409 I CB -1.208 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 3.909 4.170 -0.001 0.000 0.245 410 I C 2.441 178.550 176.117 -0.013 0.000 1.100 410 I CA 1.050 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 -0.316 120.903 121.223 -0.008 0.000 2.042 411 L HA -0.177 4.163 4.340 -0.001 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 -0.592 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 -0.455 119.388 119.914 -0.119 0.000 2.216 412 V HA -0.295 3.824 4.120 -0.001 0.000 0.242 412 V C 2.500 178.528 176.094 -0.111 0.000 1.042 412 V CA 1.832 64.044 62.300 -0.147 0.000 0.991 412 V CB -0.849 30.877 31.823 -0.162 0.000 0.633 412 V HN 0.570 nan 8.190 nan 0.000 0.449 413 L N 0.364 121.535 121.223 -0.087 0.000 2.123 413 L HA -0.282 4.057 4.340 -0.001 0.000 0.217 413 L C 2.415 179.263 176.870 -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 -0.130 120.047 120.200 -0.040 0.000 2.118 414 E HA -0.201 4.148 4.350 -0.001 0.000 0.195 414 E C 1.761 178.329 176.600 -0.055 0.000 0.992 414 E CA 2.007 58.386 56.400 -0.034 0.000 0.804 414 E CB -0.195 29.493 29.700 -0.020 0.000 0.741 414 E HN 0.814 nan 8.360 nan 0.000 0.458 415 M N -2.505 117.041 119.600 -0.090 0.000 2.596 415 M HA 0.338 4.818 4.480 -0.001 0.000 0.364 415 M C 1.005 177.228 176.300 -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 4.408 4.350 -0.001 0.000 0.252 416 T C 0.191 174.848 174.700 -0.071 0.000 0.963 416 T CA 0.576 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 4.499 4.640 -0.001 0.000 0.240 417 D C -0.843 175.445 176.300 -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 39.138 40.800 -0.030 0.000 1.049 417 D HN 0.401 nan 8.370 nan 0.000 0.427 418 N N 0.749 119.431 118.700 -0.030 0.000 2.844 418 N HA 0.152 4.891 4.740 -0.001 0.000 0.268 418 N C 0.272 175.754 175.510 -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 4.271 4.550 -0.001 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 -0.291 119.458 119.800 -0.086 0.000 2.197 420 Q HA -0.214 4.125 4.340 -0.001 0.000 0.207 420 Q C 1.335 177.167 176.000 -0.279 0.000 0.984 420 Q CA 2.105 57.825 55.803 -0.137 0.000 0.869 420 Q CB -0.741 27.945 28.738 -0.086 0.000 0.906 420 Q HN 0.554 nan 8.270 nan 0.000 0.426 421 L N -0.004 121.026 121.223 -0.322 0.000 2.653 421 L HA 0.155 4.494 4.340 -0.001 0.000 0.231 421 L C 1.704 178.298 176.870 -0.461 0.000 1.153 421 L CA -0.471 54.130 54.840 -0.399 0.000 0.933 421 L CB -0.005 41.844 42.059 -0.351 0.000 1.175 421 L HN 0.121 nan 8.230 nan 0.000 0.473 422 I N 0.260 120.486 120.570 -0.574 0.000 2.335 422 I HA -0.286 3.883 4.170 -0.001 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 0.057 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 1.053 122.020 121.223 -0.427 0.000 2.007 423 L HA 0.018 4.358 4.340 -0.001 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 1.575 64.209 63.100 -0.777 0.000 0.822 424 P CB -0.096 30.605 31.700 -1.665 0.000 0.784 425 M N -1.880 117.464 119.600 -0.426 0.000 2.117 425 M HA -0.139 4.340 4.480 -0.001 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 -0.889 31.545 32.600 -0.277 0.000 1.361 425 M HN -0.023 nan 8.290 nan 0.000 0.408 426 I N 0.236 120.677 120.570 -0.214 0.000 2.235 426 I HA -0.224 3.946 4.170 -0.001 0.000 0.241 426 I C 2.329 178.369 176.117 -0.128 0.000 1.085 426 I CA 1.002 62.211 61.300 -0.152 0.000 1.378 426 I CB -0.370 37.552 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 -0.133 0.000 2.229 427 I HA -0.360 3.810 4.170 -0.001 0.000 0.250 427 I C 2.458 178.537 176.117 -0.063 0.000 1.096 427 I CA 1.675 62.928 61.300 -0.078 0.000 1.358 427 I CB -0.654 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 0.154 114.648 114.554 -0.099 0.000 2.671 428 T HA -0.054 4.296 4.350 -0.001 0.000 0.250 428 T C 1.933 176.550 174.700 -0.137 0.000 1.068 428 T CA 1.323 63.356 62.100 -0.112 0.000 1.177 428 T CB -0.896 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 1.218 109.912 108.800 -0.176 0.000 2.517 429 G HA2 -0.207 3.752 3.960 -0.001 0.000 0.222 429 G HA3 -0.207 3.752 3.960 -0.001 0.000 0.222 429 G C 1.527 176.366 174.900 -0.102 0.000 1.109 429 G CA 0.938 45.943 45.100 -0.159 0.000 0.746 429 G HN 0.352 nan 8.290 nan 0.000 0.576 430 L N 0.857 122.030 121.223 -0.084 0.000 2.068 430 L HA 0.279 4.618 4.340 -0.001 0.000 0.204 430 L C 2.842 179.677 176.870 -0.058 0.000 1.076 430 L CA 1.989 56.793 54.840 -0.061 0.000 0.753 430 L CB -0.762 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 -1.312 107.462 108.800 -0.044 0.000 2.509 431 G HA2 -0.155 3.804 3.960 -0.001 0.000 0.218 431 G HA3 -0.155 3.804 3.960 -0.001 0.000 0.218 431 G C 1.462 176.337 174.900 -0.040 0.000 1.124 431 G CA 0.594 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 0.183 4.503 4.320 -0.001 0.000 0.216 432 A C 2.289 179.847 177.584 -0.042 0.000 1.152 432 A CA 1.862 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 0.235 nan 8.150 nan 0.000 0.460 433 T N -0.402 114.102 114.554 -0.084 0.000 3.037 433 T HA 0.229 4.578 4.350 -0.001 0.000 0.251 433 T C 1.628 176.198 174.700 -0.217 0.000 1.079 433 T CA 0.225 62.260 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 0.297 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 0.115 4.455 4.340 -0.001 0.000 0.204 434 L C 2.133 178.552 176.870 -0.753 0.000 1.081 434 L CA 0.682 55.163 54.840 -0.598 0.000 0.751 434 L CB -0.557 41.272 42.059 -0.384 0.000 0.901 434 L HN 0.163 nan 8.230 nan 0.000 0.440 435 L N 0.447 121.467 121.223 -0.338 0.000 2.551 435 L HA -0.146 4.194 4.340 -0.001 0.000 0.230 435 L C 2.126 178.917 176.870 -0.132 0.000 1.163 435 L CA 1.205 55.952 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 0.284 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 4.331 4.320 -0.001 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 -1.402 118.253 119.800 -0.242 0.000 2.548 437 Q HA 0.112 4.451 4.340 -0.001 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 1.255 121.220 119.950 0.026 0.000 2.722 438 F HA 0.044 4.570 4.527 -0.001 0.000 0.298 438 F C 1.666 177.480 175.800 0.022 0.000 1.175 438 F CA 1.173 59.188 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 -3.983 110.653 114.554 0.137 0.000 3.091 439 T HA 0.436 4.785 4.350 -0.001 0.000 0.277 439 T C 1.111 175.840 174.700 0.049 0.000 0.996 439 T CA 0.083 62.231 62.100 0.080 0.000 0.897 439 T CB 0.024 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 0.691 109.528 108.800 0.061 0.000 2.342 440 G HA2 0.205 4.165 3.960 -0.001 0.000 0.267 440 G HA3 0.205 4.165 3.960 -0.001 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 4.819 3.960 -0.001 0.000 0.283 441 G HA3 0.860 4.819 3.960 -0.001 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 -0.396 120.015 120.400 0.018 0.000 2.532 442 K HA 0.335 4.654 4.320 -0.001 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 -0.007 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 3.376 124.633 121.223 0.056 0.000 2.151 444 L HA -0.271 4.068 4.340 -0.001 0.000 0.219 444 L C 1.283 178.263 176.870 0.182 0.000 1.083 444 L CA 2.300 57.184 54.840 0.072 0.000 0.782 444 L CB -0.978 41.082 42.059 0.001 0.000 0.891 444 L HN 0.445 nan 8.230 nan 0.000 0.439 445 Y N -1.182 119.195 120.300 0.127 0.000 2.373 445 Y HA -0.169 4.380 4.550 -0.001 0.000 0.293 445 Y C 2.680 178.633 175.900 0.088 0.000 1.129 445 Y CA 0.657 58.827 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 -0.253 115.589 115.700 0.237 0.000 2.371 446 S HA -0.059 4.411 4.470 -0.001 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 -0.435 62.854 63.200 0.149 0.000 0.860 446 S HN 0.456 nan 8.310 nan 0.000 0.487 447 A N 1.468 124.362 122.820 0.124 0.000 2.054 447 A HA -0.148 4.172 4.320 -0.001 0.000 0.223 447 A C 1.904 179.548 177.584 0.100 0.000 1.169 447 A CA 1.375 53.470 52.037 0.097 0.000 0.655 447 A CB -0.850 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 -1.553 119.101 120.570 0.140 0.000 2.716 448 I HA -0.114 4.056 4.170 -0.001 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 4.331 4.340 -0.001 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 0.072 122.918 122.820 0.042 0.000 1.870 450 A HA -0.292 4.027 4.320 -0.001 0.000 0.219 450 A C 2.360 179.957 177.584 0.022 0.000 1.224 450 A CA 2.279 54.332 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 -1.169 119.349 120.500 0.030 0.000 2.103 451 R HA -0.148 4.192 4.340 -0.001 0.000 0.234 451 R C 2.215 178.523 176.300 0.014 0.000 1.132 451 R CA 1.904 58.016 56.100 0.021 0.000 0.925 451 R CB -1.725 28.590 30.300 0.026 0.000 0.842 451 R HN 0.560 nan 8.270 nan 0.000 0.430 452 T N 0.787 115.351 114.554 0.017 0.000 3.320 452 T HA -0.010 4.339 4.350 -0.001 0.000 0.262 452 T C 1.297 176.001 174.700 0.006 0.000 1.187 452 T CA 0.403 62.509 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 -0.489 120.739 121.223 0.007 0.000 2.641 453 L HA 0.605 4.945 4.340 -0.001 0.000 0.207 453 L C 2.359 179.230 176.870 0.002 0.000 1.049 453 L CA 0.920 55.762 54.840 0.003 0.000 0.866 453 L CB -0.750 41.310 42.059 0.001 0.000 1.264 453 L HN 0.117 nan 8.230 nan 0.000 0.483 454 A N -0.634 122.189 122.820 0.004 0.000 2.015 454 A HA -0.176 4.143 4.320 -0.001 0.000 0.219 454 A C 2.110 179.698 177.584 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 -0.950 119.454 120.400 0.007 0.000 2.437 455 K HA 0.064 4.384 4.320 -0.001 0.000 0.198 455 K C 1.556 178.162 176.600 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 0.308 120.112 119.800 0.008 0.000 2.391 456 Q HA 0.029 4.368 4.340 -0.001 0.000 0.243 456 Q C 1.427 177.431 176.000 0.007 0.000 0.874 456 Q CA 0.675 56.482 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 -0.456 119.748 120.200 0.006 0.000 2.051 457 E HA 0.002 4.352 4.350 -0.001 0.000 0.189 457 E C 0.617 177.221 176.600 0.008 0.000 0.979 457 E CA 0.822 57.225 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 0.935 123.760 122.820 0.010 0.000 2.324 458 A HA 0.006 4.326 4.320 -0.001 0.000 0.240 458 A C 1.068 178.661 177.584 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 -0.840 119.368 120.200 0.014 0.000 2.789 459 E HA 0.109 4.459 4.350 -0.001 0.000 0.217 459 E C 0.008 176.616 176.600 0.012 0.000 0.970 459 E CA 0.056 56.465 56.400 0.015 0.000 1.201 459 E CB 0.234 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 4.697 4.340 -0.001 0.000 0.340 460 Q C -0.409 175.596 176.000 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 29.883 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 4.339 4.340 -0.001 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