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 2vor_1_A DATA FIRST_RESID 24 DATA SEQUENCE DEIASLLQVE HLLDQRXXXX XXXPSLTRIS ALMDLLGSPQ RSYPSIHIAG DATA SEQUENCE TNGKTSVARM VDALVTALHR RTGRTTSPHL QSPVERISID GKPISPAQYV DATA SEQUENCE ATYREIEPLV ALIDQQSQAS XXXXXPAMSK FEVLTAMAFA AFADAPVDVA DATA SEQUENCE VVEVGMGGRW DATNVINAPV AVITPISIDH VDYLGADIAG IAGEKAGIIT DATA SEQUENCE RAPXXSPDTV AVIGRQVPKV MEVLLAESVR ADASVAREDS EFAVLRRQIA DATA SEQUENCE VGGQVLQLQG LGGVYSDIYL PLHGEHQAHN AVLALASVEA FFGAXXXXQL DATA SEQUENCE DGDAVRAGFA AVTSPGRLER MRSAPTVFID AAHNPAGASA LAQTLAHEFD DATA SEQUENCE FRFLVGVLSV LGDKDVDGIL AALEPVFDSV VVTHNGSPRA LDVEALALAA DATA SEQUENCE GERFGPDRVR TAENLRDAID VATSLVDDAA ADPDVXXXXX XRTGIVITGS DATA SEQUENCE VVTAGAARTL FGRDPQ 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 24 D HA 0.000 nan 4.640 nan 0.000 0.175 24 D C 0.000 176.299 176.300 -0.001 0.000 2.045 24 D CA 0.000 53.997 54.000 -0.005 0.000 0.868 24 D CB 0.000 40.799 40.800 -0.001 0.000 0.688 25 E N 1.697 121.897 120.200 0.001 0.000 2.147 25 E HA -0.156 4.211 4.350 0.029 0.000 0.199 25 E C 2.202 178.800 176.600 -0.004 0.000 1.005 25 E CA 1.833 58.237 56.400 0.006 0.000 0.810 25 E CB -1.058 28.645 29.700 0.005 0.000 0.736 25 E HN 0.573 nan 8.360 nan 0.000 0.460 26 I N 0.065 120.626 120.570 -0.016 0.000 2.439 26 I HA -0.101 4.087 4.170 0.029 0.000 0.251 26 I C 3.053 179.155 176.117 -0.026 0.000 1.139 26 I CA 0.863 62.145 61.300 -0.030 0.000 1.438 26 I CB -0.282 37.699 38.000 -0.032 0.000 1.085 26 I HN 0.407 nan 8.210 nan 0.000 0.427 27 A N 0.506 123.315 122.820 -0.017 0.000 1.883 27 A HA -0.203 4.135 4.320 0.029 0.000 0.217 27 A C 2.507 180.084 177.584 -0.012 0.000 1.186 27 A CA 2.286 54.312 52.037 -0.017 0.000 0.624 27 A CB -0.713 18.279 19.000 -0.014 0.000 0.822 27 A HN 0.385 nan 8.150 nan 0.000 0.444 28 S N -0.557 115.144 115.700 0.001 0.000 2.368 28 S HA -0.133 4.354 4.470 0.029 0.000 0.225 28 S C 1.878 176.489 174.600 0.018 0.000 1.030 28 S CA 1.399 59.611 58.200 0.019 0.000 0.999 28 S CB -0.468 62.755 63.200 0.037 0.000 0.844 28 S HN 0.499 nan 8.310 nan 0.000 0.459 29 L N 1.875 123.099 121.223 0.002 0.000 2.046 29 L HA -0.024 4.334 4.340 0.029 0.000 0.208 29 L C 1.967 178.812 176.870 -0.041 0.000 1.077 29 L CA 1.585 56.410 54.840 -0.025 0.000 0.747 29 L CB -0.496 41.504 42.059 -0.099 0.000 0.896 29 L HN 0.270 nan 8.230 nan 0.000 0.432 30 L N -0.967 120.234 121.223 -0.037 0.000 2.083 30 L HA -0.227 4.131 4.340 0.029 0.000 0.209 30 L C 2.661 179.535 176.870 0.007 0.000 1.083 30 L CA 1.549 56.377 54.840 -0.020 0.000 0.752 30 L CB -0.686 41.359 42.059 -0.023 0.000 0.899 30 L HN 0.462 nan 8.230 nan 0.000 0.433 31 Q N -0.014 119.782 119.800 -0.006 0.000 2.124 31 Q HA -0.176 4.181 4.340 0.029 0.000 0.202 31 Q C 2.278 178.277 176.000 -0.001 0.000 0.977 31 Q CA 1.603 57.407 55.803 0.001 0.000 0.850 31 Q CB 0.124 28.859 28.738 -0.006 0.000 0.901 31 Q HN 0.356 nan 8.270 nan 0.000 0.429 32 V N 1.039 120.923 119.914 -0.049 0.000 2.379 32 V HA -0.196 3.942 4.120 0.029 0.000 0.245 32 V C 2.228 178.247 176.094 -0.125 0.000 1.044 32 V CA 1.637 63.824 62.300 -0.189 0.000 1.036 32 V CB -0.444 31.253 31.823 -0.209 0.000 0.664 32 V HN 0.327 nan 8.190 nan 0.000 0.453 33 E N -0.170 120.018 120.200 -0.020 0.000 2.058 33 E HA -0.263 4.105 4.350 0.029 0.000 0.194 33 E C 2.125 178.739 176.600 0.023 0.000 0.997 33 E CA 1.860 58.266 56.400 0.009 0.000 0.801 33 E CB -0.489 29.215 29.700 0.006 0.000 0.746 33 E HN 0.798 nan 8.360 nan 0.000 0.450 34 H N 0.419 119.467 119.070 -0.037 0.000 2.353 34 H HA -0.067 4.506 4.556 0.029 0.000 0.298 34 H C 2.189 177.501 175.328 -0.027 0.000 1.103 34 H CA 1.725 57.758 56.048 -0.024 0.000 1.293 34 H CB -0.127 29.623 29.762 -0.020 0.000 1.372 34 H HN 0.045 nan 8.280 nan 0.000 0.501 35 L N -0.392 120.847 121.223 0.027 0.000 2.072 35 L HA -0.139 4.219 4.340 0.029 0.000 0.205 35 L C 2.459 179.297 176.870 -0.053 0.000 1.079 35 L CA 0.746 55.578 54.840 -0.014 0.000 0.752 35 L CB -0.357 41.698 42.059 -0.006 0.000 0.906 35 L HN 0.333 nan 8.230 nan 0.000 0.436 36 L N -0.281 120.899 121.223 -0.071 0.000 2.046 36 L HA -0.232 4.126 4.340 0.029 0.000 0.208 36 L C 2.011 178.863 176.870 -0.029 0.000 1.077 36 L CA 1.148 55.964 54.840 -0.039 0.000 0.747 36 L CB -0.677 41.359 42.059 -0.038 0.000 0.896 36 L HN 0.294 nan 8.230 nan 0.000 0.432 37 D N -0.206 120.159 120.400 -0.058 0.000 2.351 37 D HA -0.162 4.496 4.640 0.029 0.000 0.216 37 D C 1.944 178.183 176.300 -0.101 0.000 0.968 37 D CA 0.863 54.819 54.000 -0.073 0.000 0.899 37 D CB -0.051 40.688 40.800 -0.102 0.000 0.907 37 D HN 0.483 nan 8.370 nan 0.000 0.514 38 Q N -0.228 119.503 119.800 -0.115 0.000 2.360 38 Q HA 0.118 4.475 4.340 0.029 0.000 0.202 38 Q C 0.573 176.552 176.000 -0.035 0.000 0.915 38 Q CA 0.137 55.887 55.803 -0.089 0.000 0.943 38 Q CB 0.710 29.389 28.738 -0.098 0.000 1.064 38 Q HN 0.192 nan 8.270 nan 0.000 0.511 48 S N 1.056 116.765 115.700 0.016 0.000 2.766 48 S HA 0.676 5.164 4.470 0.029 0.000 0.307 48 S C 0.124 174.838 174.600 0.190 0.000 1.121 48 S CA -0.700 57.559 58.200 0.099 0.000 0.980 48 S CB 1.286 64.518 63.200 0.052 0.000 1.159 48 S HN 0.168 nan 8.310 nan 0.000 0.546 49 L N 1.081 122.421 121.223 0.196 0.000 2.728 49 L HA 0.351 4.708 4.340 0.029 0.000 0.238 49 L C 2.034 178.969 176.870 0.107 0.000 1.143 49 L CA 0.622 55.559 54.840 0.163 0.000 0.937 49 L CB -1.005 41.151 42.059 0.163 0.000 1.225 49 L HN 0.902 nan 8.230 nan 0.000 0.507 50 T N -0.699 113.908 114.554 0.088 0.000 2.746 50 T HA -0.173 4.194 4.350 0.029 0.000 0.267 50 T C 2.139 176.869 174.700 0.050 0.000 1.039 50 T CA 1.524 63.660 62.100 0.060 0.000 1.142 50 T CB 0.104 69.000 68.868 0.047 0.000 0.866 50 T HN 0.268 nan 8.240 nan 0.000 0.444 51 R N -0.215 120.317 120.500 0.054 0.000 2.062 51 R HA 0.114 4.471 4.340 0.029 0.000 0.226 51 R C 2.411 178.737 176.300 0.045 0.000 1.125 51 R CA 0.898 57.024 56.100 0.043 0.000 0.966 51 R CB -0.431 29.894 30.300 0.042 0.000 0.861 51 R HN 0.248 nan 8.270 nan 0.000 0.433 52 I N 0.837 121.445 120.570 0.063 0.000 2.226 52 I HA -0.250 3.938 4.170 0.029 0.000 0.245 52 I C 1.880 178.032 176.117 0.059 0.000 1.100 52 I CA 1.560 62.900 61.300 0.067 0.000 1.374 52 I CB -0.210 37.848 38.000 0.096 0.000 1.057 52 I HN 0.005 nan 8.210 nan 0.000 0.413 53 S N 0.657 116.391 115.700 0.056 0.000 2.353 53 S HA -0.229 4.259 4.470 0.029 0.000 0.222 53 S C 2.215 176.826 174.600 0.018 0.000 1.035 53 S CA 1.480 59.700 58.200 0.034 0.000 1.025 53 S CB -0.794 62.428 63.200 0.036 0.000 0.902 53 S HN 0.685 nan 8.310 nan 0.000 0.440 54 A N 1.274 124.106 122.820 0.020 0.000 1.892 54 A HA -0.127 4.210 4.320 0.029 0.000 0.218 54 A C 2.124 179.711 177.584 0.005 0.000 1.188 54 A CA 1.702 53.745 52.037 0.010 0.000 0.631 54 A CB -0.855 18.152 19.000 0.012 0.000 0.822 54 A HN 0.427 nan 8.150 nan 0.000 0.447 55 L N -0.900 120.329 121.223 0.010 0.000 1.989 55 L HA -0.194 4.163 4.340 0.029 0.000 0.211 55 L C 2.389 179.260 176.870 0.001 0.000 1.071 55 L CA 2.312 57.154 54.840 0.003 0.000 0.749 55 L CB -0.593 41.469 42.059 0.006 0.000 0.890 55 L HN 0.323 nan 8.230 nan 0.000 0.431 56 M N -0.698 118.908 119.600 0.010 0.000 2.117 56 M HA -0.188 4.309 4.480 0.029 0.000 0.262 56 M C 2.015 178.301 176.300 -0.023 0.000 1.065 56 M CA 1.427 56.724 55.300 -0.004 0.000 1.114 56 M CB -1.685 30.903 32.600 -0.019 0.000 1.361 56 M HN 0.245 nan 8.290 nan 0.000 0.408 57 D N 0.578 120.966 120.400 -0.021 0.000 2.116 57 D HA -0.151 4.506 4.640 0.029 0.000 0.193 57 D C 2.278 178.566 176.300 -0.021 0.000 0.998 57 D CA 1.166 55.152 54.000 -0.023 0.000 0.836 57 D CB -0.420 40.371 40.800 -0.016 0.000 0.951 57 D HN 0.332 nan 8.370 nan 0.000 0.449 58 L N -0.086 121.127 121.223 -0.017 0.000 2.131 58 L HA -0.143 4.214 4.340 0.029 0.000 0.210 58 L C 1.940 178.797 176.870 -0.022 0.000 1.092 58 L CA 0.336 55.165 54.840 -0.018 0.000 0.759 58 L CB -0.158 41.890 42.059 -0.018 0.000 0.903 58 L HN 0.106 nan 8.230 nan 0.000 0.435 59 L N -0.304 120.906 121.223 -0.021 0.000 2.552 59 L HA 0.080 4.437 4.340 0.029 0.000 0.227 59 L C 1.614 178.471 176.870 -0.021 0.000 1.146 59 L CA 1.380 56.208 54.840 -0.021 0.000 0.858 59 L CB -1.210 40.841 42.059 -0.013 0.000 0.969 59 L HN 0.461 nan 8.230 nan 0.000 0.451 60 G N -1.393 107.391 108.800 -0.027 0.000 2.141 60 G HA2 -0.265 3.713 3.960 0.029 0.000 0.231 60 G HA3 -0.265 3.713 3.960 0.029 0.000 0.231 60 G C 0.659 175.530 174.900 -0.048 0.000 0.984 60 G CA 0.238 45.320 45.100 -0.031 0.000 0.660 60 G HN 0.144 nan 8.290 nan 0.000 0.525 61 S N -0.680 114.984 115.700 -0.060 0.000 3.783 61 S HA -0.165 4.322 4.470 0.029 0.000 0.360 61 S C -0.199 174.315 174.600 -0.143 0.000 1.006 61 S CA 0.928 59.067 58.200 -0.102 0.000 1.115 61 S CB -0.616 62.524 63.200 -0.100 0.000 0.893 61 S HN 0.764 nan 8.310 nan 0.000 0.475 62 P HA -0.173 nan 4.420 nan 0.000 0.222 62 P C 1.512 178.617 177.300 -0.324 0.000 1.147 62 P CA 1.246 64.293 63.100 -0.089 0.000 0.790 62 P CB 0.008 31.744 31.700 0.060 0.000 0.780 63 Q N 0.109 119.655 119.800 -0.424 0.000 2.444 63 Q HA -0.011 4.346 4.340 0.029 0.000 0.206 63 Q C 1.291 176.843 176.000 -0.746 0.000 0.948 63 Q CA 0.670 56.019 55.803 -0.757 0.000 0.946 63 Q CB -0.274 27.713 28.738 -1.253 0.000 1.027 63 Q HN 0.287 nan 8.270 nan 0.000 0.513 64 R N 0.622 120.787 120.500 -0.559 0.000 2.472 64 R HA 0.148 4.505 4.340 0.029 0.000 0.279 64 R C 1.208 177.270 176.300 -0.396 0.000 0.953 64 R CA 0.624 56.480 56.100 -0.406 0.000 1.088 64 R CB 0.673 30.827 30.300 -0.244 0.000 1.197 64 R HN 0.326 nan 8.270 nan 0.000 0.536 65 S N -0.362 114.989 115.700 -0.582 0.000 2.577 65 S HA 0.084 4.572 4.470 0.029 0.000 0.219 65 S C -0.080 174.412 174.600 -0.181 0.000 0.962 65 S CA -0.454 57.566 58.200 -0.300 0.000 0.921 65 S CB -0.125 62.994 63.200 -0.136 0.000 0.789 65 S HN 0.297 nan 8.310 nan 0.000 0.497 66 Y N -1.759 118.543 120.300 0.002 0.000 2.624 66 Y HA 0.812 5.380 4.550 0.029 0.000 0.334 66 Y C -3.332 172.573 175.900 0.008 0.000 1.155 66 Y CA -3.038 55.071 58.100 0.014 0.000 1.046 66 Y CB -0.143 38.329 38.460 0.019 0.000 1.316 66 Y HN -0.160 nan 8.280 nan 0.000 0.457 67 P HA 0.513 nan 4.420 nan 0.000 0.279 67 P C -0.855 176.559 177.300 0.191 0.000 1.252 67 P CA -0.349 62.867 63.100 0.193 0.000 0.811 67 P CB 1.895 33.764 31.700 0.281 0.000 1.035 68 S N 0.216 115.994 115.700 0.130 0.000 2.570 68 S HA 0.598 5.085 4.470 0.029 0.000 0.286 68 S C -0.240 174.366 174.600 0.009 0.000 1.099 68 S CA -0.621 57.607 58.200 0.046 0.000 0.913 68 S CB 0.976 64.219 63.200 0.072 0.000 1.085 68 S HN 0.287 nan 8.310 nan 0.000 0.480 69 I N 2.091 122.616 120.570 -0.075 0.000 2.362 69 I HA 0.339 4.527 4.170 0.029 0.000 0.289 69 I C -0.276 175.886 176.117 0.075 0.000 0.994 69 I CA -0.364 60.917 61.300 -0.032 0.000 1.158 69 I CB 1.189 39.082 38.000 -0.177 0.000 1.315 69 I HN 0.617 nan 8.210 nan 0.000 0.451 70 H N 6.955 126.043 119.070 0.031 0.000 2.466 70 H HA 0.663 5.236 4.556 0.029 0.000 0.338 70 H C -1.110 174.249 175.328 0.052 0.000 1.091 70 H CA -0.782 55.305 56.048 0.065 0.000 1.207 70 H CB 1.470 31.279 29.762 0.077 0.000 1.466 70 H HN 0.463 nan 8.280 nan 0.000 0.493 71 I N 4.104 124.843 120.570 0.281 0.000 2.498 71 I HA 0.554 4.741 4.170 0.029 0.000 0.290 71 I C -0.595 175.575 176.117 0.088 0.000 1.032 71 I CA -0.520 60.856 61.300 0.126 0.000 1.073 71 I CB 1.893 39.958 38.000 0.108 0.000 1.251 71 I HN 0.575 nan 8.210 nan 0.000 0.426 72 A N 4.013 126.847 122.820 0.022 0.000 2.486 72 A HA 1.062 5.400 4.320 0.029 0.000 0.289 72 A C -0.248 177.347 177.584 0.017 0.000 1.176 72 A CA -0.294 51.744 52.037 0.003 0.000 0.757 72 A CB 1.891 20.856 19.000 -0.058 0.000 1.337 72 A HN 1.145 nan 8.150 nan 0.000 0.423 73 G N -1.600 107.210 108.800 0.017 0.000 2.361 73 G HA2 0.394 4.371 3.960 0.029 0.000 0.331 73 G HA3 0.394 4.371 3.960 0.029 0.000 0.331 73 G C 0.087 175.003 174.900 0.027 0.000 1.324 73 G CA 0.373 45.487 45.100 0.023 0.000 0.984 73 G HN 1.047 nan 8.290 nan 0.000 0.586 74 T N -0.154 114.414 114.554 0.024 0.000 3.021 74 T HA 0.210 4.578 4.350 0.029 0.000 0.245 74 T C 0.884 175.593 174.700 0.014 0.000 1.028 74 T CA 1.195 63.309 62.100 0.024 0.000 1.139 74 T CB -0.090 68.787 68.868 0.015 0.000 0.884 74 T HN 0.478 nan 8.240 nan 0.000 0.457 75 N N -0.601 118.103 118.700 0.007 0.000 2.238 75 N HA 0.499 5.256 4.740 0.029 0.000 0.302 75 N C 0.395 175.926 175.510 0.036 0.000 1.072 75 N CA 0.080 53.127 53.050 -0.004 0.000 0.792 75 N CB 2.068 40.535 38.487 -0.033 0.000 1.425 75 N HN 0.275 nan 8.380 nan 0.000 0.478 76 G N 0.607 109.437 108.800 0.050 0.000 2.175 76 G HA2 -0.300 3.678 3.960 0.029 0.000 0.244 76 G HA3 -0.300 3.678 3.960 0.029 0.000 0.244 76 G C 0.833 175.778 174.900 0.074 0.000 0.982 76 G CA 0.182 45.330 45.100 0.080 0.000 0.641 76 G HN 0.545 nan 8.290 nan 0.000 0.527 77 K N -0.268 120.173 120.400 0.067 0.000 2.057 77 K HA -0.038 4.300 4.320 0.029 0.000 0.207 77 K C 2.519 179.164 176.600 0.074 0.000 1.049 77 K CA 1.725 58.055 56.287 0.071 0.000 0.931 77 K CB -0.370 32.173 32.500 0.072 0.000 0.714 77 K HN 0.309 nan 8.250 nan 0.000 0.440 78 T N 1.092 115.692 114.554 0.077 0.000 2.708 78 T HA -0.116 4.251 4.350 0.029 0.000 0.266 78 T C 2.146 176.886 174.700 0.068 0.000 1.037 78 T CA 1.590 63.736 62.100 0.076 0.000 1.146 78 T CB -0.206 68.711 68.868 0.082 0.000 0.865 78 T HN 0.166 nan 8.240 nan 0.000 0.435 79 S N 0.909 116.651 115.700 0.071 0.000 2.359 79 S HA -0.132 4.356 4.470 0.029 0.000 0.223 79 S C 2.290 176.926 174.600 0.060 0.000 1.039 79 S CA 1.241 59.480 58.200 0.065 0.000 1.042 79 S CB -0.670 62.574 63.200 0.073 0.000 0.915 79 S HN 0.280 nan 8.310 nan 0.000 0.439 80 V N 1.976 121.928 119.914 0.065 0.000 2.343 80 V HA -0.208 3.930 4.120 0.029 0.000 0.247 80 V C 2.638 178.752 176.094 0.034 0.000 1.051 80 V CA 1.664 63.999 62.300 0.059 0.000 1.036 80 V CB -1.272 30.589 31.823 0.064 0.000 0.654 80 V HN 0.559 nan 8.190 nan 0.000 0.451 81 A N -0.095 122.747 122.820 0.037 0.000 1.940 81 A HA -0.240 4.098 4.320 0.029 0.000 0.219 81 A C 2.384 179.964 177.584 -0.005 0.000 1.176 81 A CA 1.922 53.970 52.037 0.018 0.000 0.631 81 A CB -0.449 18.576 19.000 0.043 0.000 0.814 81 A HN 0.545 nan 8.150 nan 0.000 0.446 82 R N -1.435 119.072 120.500 0.011 0.000 2.093 82 R HA 0.097 4.454 4.340 0.029 0.000 0.224 82 R C 2.257 178.545 176.300 -0.021 0.000 1.101 82 R CA 1.342 57.442 56.100 0.000 0.000 0.979 82 R CB -0.319 29.994 30.300 0.022 0.000 0.877 82 R HN 0.520 nan 8.270 nan 0.000 0.441 83 M N 0.129 119.729 119.600 0.000 0.000 2.086 83 M HA -0.169 4.329 4.480 0.029 0.000 0.261 83 M C 2.273 178.503 176.300 -0.116 0.000 1.067 83 M CA 1.471 56.765 55.300 -0.011 0.000 1.116 83 M CB -0.162 32.504 32.600 0.110 0.000 1.348 83 M HN -0.022 nan 8.290 nan 0.000 0.407 84 V N 0.520 120.379 119.914 -0.090 0.000 2.255 84 V HA -0.317 3.821 4.120 0.029 0.000 0.247 84 V C 2.119 178.117 176.094 -0.160 0.000 1.051 84 V CA 2.223 64.442 62.300 -0.135 0.000 1.018 84 V CB -0.719 31.036 31.823 -0.113 0.000 0.641 84 V HN 0.495 nan 8.190 nan 0.000 0.445 85 D N 0.087 120.408 120.400 -0.132 0.000 2.133 85 D HA -0.181 4.477 4.640 0.029 0.000 0.195 85 D C 2.143 178.363 176.300 -0.134 0.000 0.997 85 D CA 1.783 55.703 54.000 -0.134 0.000 0.840 85 D CB -0.067 40.673 40.800 -0.099 0.000 0.947 85 D HN 0.407 nan 8.370 nan 0.000 0.452 86 A N 0.294 123.032 122.820 -0.136 0.000 1.902 86 A HA -0.092 4.246 4.320 0.029 0.000 0.217 86 A C 2.629 180.084 177.584 -0.215 0.000 1.181 86 A CA 1.083 53.029 52.037 -0.152 0.000 0.623 86 A CB -0.765 18.152 19.000 -0.137 0.000 0.818 86 A HN 0.348 nan 8.150 nan 0.000 0.443 87 L N -0.592 120.459 121.223 -0.286 0.000 2.056 87 L HA -0.136 4.221 4.340 0.029 0.000 0.207 87 L C 2.459 179.221 176.870 -0.180 0.000 1.078 87 L CA 0.960 55.611 54.840 -0.315 0.000 0.749 87 L CB -0.481 41.342 42.059 -0.393 0.000 0.901 87 L HN 0.237 nan 8.230 nan 0.000 0.433 88 V N -0.897 118.947 119.914 -0.116 0.000 2.548 88 V HA -0.223 3.914 4.120 0.029 0.000 0.249 88 V C 2.490 178.542 176.094 -0.070 0.000 1.055 88 V CA 2.059 64.355 62.300 -0.007 0.000 1.065 88 V CB -0.559 31.222 31.823 -0.071 0.000 0.681 88 V HN 0.456 nan 8.190 nan 0.000 0.462 89 T N 0.508 114.987 114.554 -0.126 0.000 2.821 89 T HA -0.093 4.274 4.350 0.029 0.000 0.267 89 T C 2.016 176.565 174.700 -0.252 0.000 1.046 89 T CA 1.474 63.492 62.100 -0.136 0.000 1.139 89 T CB -0.316 68.487 68.868 -0.107 0.000 0.871 89 T HN 0.553 nan 8.240 nan 0.000 0.454 90 A N 0.997 123.646 122.820 -0.285 0.000 2.067 90 A HA 0.123 4.460 4.320 0.029 0.000 0.219 90 A C 1.937 179.152 177.584 -0.616 0.000 1.158 90 A CA 0.893 52.691 52.037 -0.399 0.000 0.661 90 A CB -0.616 18.226 19.000 -0.263 0.000 0.801 90 A HN 0.517 nan 8.150 nan 0.000 0.452 91 L N -1.574 119.392 121.223 -0.428 0.000 2.591 91 L HA 0.114 4.472 4.340 0.029 0.000 0.228 91 L C 0.430 177.156 176.870 -0.240 0.000 1.133 91 L CA 0.006 54.636 54.840 -0.350 0.000 0.880 91 L CB -0.472 41.403 42.059 -0.308 0.000 1.033 91 L HN 0.533 nan 8.230 nan 0.000 0.450 92 H N -1.908 117.139 119.070 -0.038 0.000 3.257 92 H HA -0.127 4.447 4.556 0.030 0.000 0.222 92 H C 0.391 175.725 175.328 0.010 0.000 1.143 92 H CA 0.241 56.277 56.048 -0.019 0.000 1.152 92 H CB -1.134 28.610 29.762 -0.029 0.000 1.188 92 H HN 0.296 nan 8.280 nan 0.000 0.315 93 R N 1.344 121.905 120.500 0.103 0.000 2.410 93 R HA 0.389 4.747 4.340 0.029 0.000 0.288 93 R C 0.686 177.007 176.300 0.035 0.000 1.051 93 R CA -0.393 55.772 56.100 0.108 0.000 1.021 93 R CB 0.825 31.247 30.300 0.203 0.000 1.032 93 R HN 0.147 nan 8.270 nan 0.000 0.481 94 R N 1.095 121.605 120.500 0.016 0.000 2.347 94 R HA 0.173 4.531 4.340 0.029 0.000 0.304 94 R C -0.111 176.129 176.300 -0.101 0.000 1.072 94 R CA -0.055 56.026 56.100 -0.031 0.000 0.980 94 R CB 0.525 30.811 30.300 -0.023 0.000 0.986 94 R HN 0.708 nan 8.270 nan 0.000 0.448 95 T N -0.896 113.573 114.554 -0.141 0.000 2.895 95 T HA 0.611 4.978 4.350 0.029 0.000 0.283 95 T C 0.344 174.844 174.700 -0.333 0.000 1.014 95 T CA -0.921 61.032 62.100 -0.245 0.000 1.037 95 T CB 2.151 70.891 68.868 -0.213 0.000 1.006 95 T HN 0.595 nan 8.240 nan 0.000 0.468 96 G N 0.889 109.317 108.800 -0.620 0.000 2.416 96 G HA2 0.641 4.619 3.960 0.029 0.000 0.329 96 G HA3 0.641 4.619 3.960 0.029 0.000 0.329 96 G C -1.113 173.296 174.900 -0.820 0.000 1.173 96 G CA -1.162 43.350 45.100 -0.980 0.000 0.929 96 G HN 0.927 nan 8.290 nan 0.000 0.475 97 R N 0.251 120.560 120.500 -0.318 0.000 2.533 97 R HA 0.569 4.927 4.340 0.029 0.000 0.288 97 R C -1.528 174.911 176.300 0.231 0.000 1.039 97 R CA -0.495 55.572 56.100 -0.056 0.000 0.909 97 R CB 2.112 32.382 30.300 -0.051 0.000 1.195 97 R HN 0.521 nan 8.270 nan 0.000 0.438 98 T N 2.833 117.551 114.554 0.273 0.000 2.792 98 T HA 0.508 4.875 4.350 0.029 0.000 0.280 98 T C -0.742 174.052 174.700 0.156 0.000 0.990 98 T CA -0.236 61.993 62.100 0.216 0.000 0.960 98 T CB 1.040 69.989 68.868 0.134 0.000 0.939 98 T HN 0.743 nan 8.240 nan 0.000 0.439 99 T N 1.096 115.737 114.554 0.146 0.000 2.916 99 T HA 0.891 5.259 4.350 0.029 0.000 0.292 99 T C -0.600 174.197 174.700 0.161 0.000 1.064 99 T CA -0.779 61.406 62.100 0.141 0.000 1.011 99 T CB 1.692 70.627 68.868 0.112 0.000 1.152 99 T HN 0.825 nan 8.240 nan 0.000 0.510 100 S N -0.226 115.557 115.700 0.138 0.000 2.588 100 S HA 0.785 5.273 4.470 0.029 0.000 0.269 100 S C -3.260 171.374 174.600 0.055 0.000 1.157 100 S CA -1.233 57.035 58.200 0.114 0.000 0.824 100 S CB 1.008 64.291 63.200 0.139 0.000 1.126 100 S HN 0.751 nan 8.310 nan 0.000 0.464 101 P HA 0.284 nan 4.420 nan 0.000 0.279 101 P C -0.564 176.733 177.300 -0.004 0.000 1.282 101 P CA -0.379 62.700 63.100 -0.035 0.000 0.788 101 P CB 0.081 31.690 31.700 -0.153 0.000 1.139 102 H N -0.533 118.568 119.070 0.052 0.000 2.551 102 H HA 0.242 4.816 4.556 0.029 0.000 0.358 102 H C 0.506 175.854 175.328 0.033 0.000 1.151 102 H CA -0.552 55.522 56.048 0.044 0.000 1.374 102 H CB 0.791 30.573 29.762 0.033 0.000 1.473 102 H HN 0.216 nan 8.280 nan 0.000 0.574 103 L N 0.527 121.855 121.223 0.176 0.000 2.084 103 L HA -0.092 4.265 4.340 0.029 0.000 0.202 103 L C 2.224 179.209 176.870 0.192 0.000 1.074 103 L CA 1.127 56.042 54.840 0.124 0.000 0.757 103 L CB -0.046 42.076 42.059 0.106 0.000 0.918 103 L HN 0.669 nan 8.230 nan 0.000 0.444 104 Q N -2.458 117.465 119.800 0.205 0.000 2.532 104 Q HA 0.162 4.519 4.340 0.029 0.000 0.247 104 Q C 0.373 176.402 176.000 0.047 0.000 0.872 104 Q CA 0.079 55.958 55.803 0.126 0.000 0.963 104 Q CB 1.272 30.049 28.738 0.066 0.000 1.159 104 Q HN 0.183 nan 8.270 nan 0.000 0.598 105 S N 0.181 115.837 115.700 -0.073 0.000 2.548 105 S HA 0.291 4.779 4.470 0.029 0.000 0.276 105 S C -2.310 171.932 174.600 -0.597 0.000 1.129 105 S CA -1.875 56.134 58.200 -0.318 0.000 0.931 105 S CB 1.317 64.397 63.200 -0.200 0.000 1.068 105 S HN -0.170 nan 8.310 nan 0.000 0.480 106 P HA -0.156 nan 4.420 nan 0.000 0.217 106 P C 1.709 178.791 177.300 -0.363 0.000 1.148 106 P CA 1.807 64.486 63.100 -0.702 0.000 0.834 106 P CB -0.575 30.765 31.700 -0.599 0.000 0.783 107 V N -1.449 118.199 119.914 -0.444 0.000 2.688 107 V HA -0.219 3.918 4.120 0.029 0.000 0.256 107 V C 1.925 178.009 176.094 -0.017 0.000 1.084 107 V CA 1.702 63.877 62.300 -0.208 0.000 1.103 107 V CB -1.776 29.940 31.823 -0.178 0.000 0.688 107 V HN 0.100 nan 8.190 nan 0.000 0.480 108 E N 0.373 120.558 120.200 -0.024 0.000 2.338 108 E HA -0.099 4.268 4.350 0.029 0.000 0.197 108 E C 2.307 178.971 176.600 0.107 0.000 1.007 108 E CA 0.764 57.196 56.400 0.054 0.000 0.849 108 E CB -0.188 29.559 29.700 0.079 0.000 0.774 108 E HN 0.645 nan 8.360 nan 0.000 0.506 109 R N 0.358 120.939 120.500 0.135 0.000 2.115 109 R HA 0.053 4.410 4.340 0.029 0.000 0.226 109 R C 0.567 176.945 176.300 0.130 0.000 1.100 109 R CA 0.684 56.879 56.100 0.159 0.000 0.980 109 R CB 0.126 30.544 30.300 0.198 0.000 0.875 109 R HN 0.115 nan 8.270 nan 0.000 0.445 110 I N 1.102 121.753 120.570 0.135 0.000 2.390 110 I HA 0.190 4.378 4.170 0.029 0.000 0.283 110 I C -0.615 175.600 176.117 0.163 0.000 1.016 110 I CA -0.318 61.060 61.300 0.131 0.000 1.151 110 I CB 1.953 39.984 38.000 0.051 0.000 1.293 110 I HN -0.097 nan 8.210 nan 0.000 0.458 111 S N 6.628 122.444 115.700 0.194 0.000 2.537 111 S HA 0.687 5.174 4.470 0.029 0.000 0.301 111 S C -0.444 174.229 174.600 0.121 0.000 1.092 111 S CA -0.637 57.639 58.200 0.126 0.000 1.048 111 S CB 2.244 65.486 63.200 0.070 0.000 1.053 111 S HN 0.297 nan 8.310 nan 0.000 0.501 112 I N 2.165 122.775 120.570 0.068 0.000 2.498 112 I HA 0.353 4.541 4.170 0.029 0.000 0.290 112 I C -0.326 175.787 176.117 -0.006 0.000 1.032 112 I CA -0.359 60.955 61.300 0.023 0.000 1.073 112 I CB 1.405 39.438 38.000 0.055 0.000 1.251 112 I HN 0.673 nan 8.210 nan 0.000 0.426 113 D N 4.725 125.100 120.400 -0.041 0.000 2.945 113 D HA -0.185 4.472 4.640 0.029 0.000 0.225 113 D C 1.164 177.448 176.300 -0.026 0.000 1.158 113 D CA 1.483 55.464 54.000 -0.032 0.000 0.805 113 D CB -1.030 39.764 40.800 -0.009 0.000 1.098 113 D HN 1.182 nan 8.370 nan 0.000 0.426 114 G N -0.551 108.229 108.800 -0.033 0.000 2.157 114 G HA2 -0.343 3.635 3.960 0.029 0.000 0.248 114 G HA3 -0.343 3.635 3.960 0.029 0.000 0.248 114 G C 0.183 175.084 174.900 0.002 0.000 0.979 114 G CA 0.736 45.823 45.100 -0.021 0.000 0.650 114 G HN 0.480 nan 8.290 nan 0.000 0.529 115 K N 0.644 121.051 120.400 0.012 0.000 2.427 115 K HA 0.528 4.865 4.320 0.029 0.000 0.252 115 K C -2.779 173.843 176.600 0.037 0.000 0.931 115 K CA -2.265 54.036 56.287 0.023 0.000 0.793 115 K CB 2.808 35.320 32.500 0.020 0.000 1.211 115 K HN -0.072 nan 8.250 nan 0.000 0.426 116 P HA -0.016 nan 4.420 nan 0.000 0.267 116 P C -0.028 177.303 177.300 0.051 0.000 1.200 116 P CA -0.192 62.938 63.100 0.049 0.000 0.772 116 P CB 0.228 31.945 31.700 0.030 0.000 0.855 117 I N -0.669 119.946 120.570 0.074 0.000 3.437 117 I HA 0.269 4.457 4.170 0.029 0.000 0.274 117 I C 0.563 176.714 176.117 0.057 0.000 1.215 117 I CA -0.477 60.869 61.300 0.076 0.000 1.215 117 I CB 0.122 38.185 38.000 0.104 0.000 1.441 117 I HN 0.319 nan 8.210 nan 0.000 0.677 118 S N 0.735 116.469 115.700 0.057 0.000 2.713 118 S HA 0.495 4.983 4.470 0.029 0.000 0.283 118 S C -1.888 172.734 174.600 0.038 0.000 1.161 118 S CA -1.200 57.019 58.200 0.032 0.000 0.999 118 S CB 1.301 64.519 63.200 0.029 0.000 1.039 118 S HN 0.560 nan 8.310 nan 0.000 0.548 119 P HA -0.064 nan 4.420 nan 0.000 0.215 119 P C 1.644 178.981 177.300 0.062 0.000 1.153 119 P CA 2.044 65.138 63.100 -0.010 0.000 0.853 119 P CB -0.331 31.342 31.700 -0.045 0.000 0.788 120 A N -0.074 122.776 122.820 0.051 0.000 1.873 120 A HA -0.313 4.025 4.320 0.029 0.000 0.218 120 A C 2.249 179.885 177.584 0.086 0.000 1.193 120 A CA 2.130 54.204 52.037 0.062 0.000 0.629 120 A CB -1.554 17.471 19.000 0.041 0.000 0.826 120 A HN 0.235 nan 8.150 nan 0.000 0.447 121 Q N -2.286 117.566 119.800 0.086 0.000 2.170 121 Q HA -0.183 4.175 4.340 0.029 0.000 0.203 121 Q C 1.987 178.057 176.000 0.115 0.000 0.976 121 Q CA 1.708 57.562 55.803 0.084 0.000 0.858 121 Q CB -0.357 28.424 28.738 0.072 0.000 0.907 121 Q HN 0.859 nan 8.270 nan 0.000 0.433 122 Y N 0.616 120.921 120.300 0.008 0.000 2.163 122 Y HA -0.240 4.328 4.550 0.029 0.000 0.288 122 Y C 2.116 178.041 175.900 0.042 0.000 1.136 122 Y CA 1.185 59.289 58.100 0.008 0.000 1.147 122 Y CB -0.040 38.412 38.460 -0.013 0.000 0.987 122 Y HN -0.154 nan 8.280 nan 0.000 0.509 123 V N 0.508 120.600 119.914 0.297 0.000 2.332 123 V HA -0.365 3.772 4.120 0.029 0.000 0.248 123 V C 2.616 178.793 176.094 0.138 0.000 1.055 123 V CA 1.846 64.273 62.300 0.212 0.000 1.038 123 V CB -1.480 30.444 31.823 0.168 0.000 0.651 123 V HN 0.596 nan 8.190 nan 0.000 0.450 124 A N -0.392 122.481 122.820 0.087 0.000 1.930 124 A HA -0.200 4.138 4.320 0.029 0.000 0.217 124 A C 2.391 179.976 177.584 0.003 0.000 1.175 124 A CA 2.380 54.443 52.037 0.042 0.000 0.627 124 A CB -0.850 18.171 19.000 0.034 0.000 0.815 124 A HN 0.514 nan 8.150 nan 0.000 0.443 125 T N -1.599 112.944 114.554 -0.019 0.000 2.777 125 T HA -0.133 4.234 4.350 0.029 0.000 0.266 125 T C 1.791 176.425 174.700 -0.110 0.000 1.040 125 T CA 1.503 63.555 62.100 -0.080 0.000 1.141 125 T CB -0.432 68.359 68.868 -0.128 0.000 0.868 125 T HN 0.563 nan 8.240 nan 0.000 0.444 126 Y N 2.355 122.535 120.300 -0.200 0.000 2.128 126 Y HA -0.170 4.398 4.550 0.029 0.000 0.284 126 Y C 2.458 178.304 175.900 -0.090 0.000 1.154 126 Y CA 1.362 59.358 58.100 -0.173 0.000 1.149 126 Y CB -0.220 38.135 38.460 -0.174 0.000 0.976 126 Y HN 0.002 nan 8.280 nan 0.000 0.505 127 R N 0.120 120.529 120.500 -0.151 0.000 2.120 127 R HA -0.179 4.178 4.340 0.029 0.000 0.234 127 R C 2.374 178.552 176.300 -0.202 0.000 1.123 127 R CA 1.517 57.503 56.100 -0.191 0.000 0.975 127 R CB -0.364 29.918 30.300 -0.031 0.000 0.866 127 R HN 0.584 nan 8.270 nan 0.000 0.446 128 E N 1.587 121.693 120.200 -0.157 0.000 2.072 128 E HA -0.175 4.193 4.350 0.029 0.000 0.190 128 E C 1.944 178.457 176.600 -0.144 0.000 0.982 128 E CA 1.241 57.572 56.400 -0.115 0.000 0.803 128 E CB -0.041 29.613 29.700 -0.077 0.000 0.755 128 E HN 0.494 nan 8.360 nan 0.000 0.453 129 I N -1.508 118.944 120.570 -0.196 0.000 3.059 129 I HA 0.024 4.212 4.170 0.029 0.000 0.270 129 I C 2.221 178.192 176.117 -0.243 0.000 1.238 129 I CA 0.689 61.875 61.300 -0.191 0.000 1.478 129 I CB -0.135 37.767 38.000 -0.164 0.000 1.097 129 I HN 0.049 nan 8.210 nan 0.000 0.455 130 E N 2.011 121.980 120.200 -0.384 0.000 2.130 130 E HA -0.186 4.182 4.350 0.029 0.000 0.196 130 E C -0.469 176.024 176.600 -0.177 0.000 0.998 130 E CA 1.662 57.837 56.400 -0.377 0.000 0.806 130 E CB -0.792 28.581 29.700 -0.543 0.000 0.738 130 E HN 0.439 nan 8.360 nan 0.000 0.459 131 P HA -0.154 nan 4.420 nan 0.000 0.217 131 P C 1.193 178.455 177.300 -0.063 0.000 1.150 131 P CA 0.940 63.992 63.100 -0.080 0.000 0.832 131 P CB 0.025 31.685 31.700 -0.067 0.000 0.787 132 L N -1.429 119.751 121.223 -0.072 0.000 2.131 132 L HA -0.052 4.306 4.340 0.029 0.000 0.206 132 L C 2.403 179.244 176.870 -0.048 0.000 1.087 132 L CA 1.371 56.179 54.840 -0.053 0.000 0.767 132 L CB -1.863 40.166 42.059 -0.051 0.000 0.917 132 L HN -0.092 nan 8.230 nan 0.000 0.441 133 V N 0.872 120.746 119.914 -0.067 0.000 2.255 133 V HA -0.282 3.856 4.120 0.029 0.000 0.247 133 V C 2.920 178.999 176.094 -0.025 0.000 1.051 133 V CA 1.734 64.007 62.300 -0.045 0.000 1.018 133 V CB -1.157 30.632 31.823 -0.057 0.000 0.641 133 V HN 0.453 nan 8.190 nan 0.000 0.445 134 A N -0.398 122.404 122.820 -0.030 0.000 1.948 134 A HA -0.248 4.090 4.320 0.029 0.000 0.220 134 A C 2.173 179.751 177.584 -0.010 0.000 1.177 134 A CA 2.313 54.342 52.037 -0.013 0.000 0.636 134 A CB -0.586 18.404 19.000 -0.016 0.000 0.815 134 A HN 0.443 nan 8.150 nan 0.000 0.449 135 L N -0.332 120.881 121.223 -0.017 0.000 2.072 135 L HA -0.041 4.316 4.340 0.029 0.000 0.205 135 L C 2.130 178.996 176.870 -0.007 0.000 1.079 135 L CA 1.388 56.220 54.840 -0.012 0.000 0.752 135 L CB -0.418 41.631 42.059 -0.016 0.000 0.906 135 L HN 0.338 nan 8.230 nan 0.000 0.436 136 I N -0.319 120.247 120.570 -0.007 0.000 2.315 136 I HA -0.237 3.951 4.170 0.029 0.000 0.248 136 I C 2.094 178.214 176.117 0.004 0.000 1.117 136 I CA 1.048 62.348 61.300 -0.000 0.000 1.404 136 I CB -1.370 36.630 38.000 0.001 0.000 1.071 136 I HN 0.286 nan 8.210 nan 0.000 0.419 137 D N 1.088 121.491 120.400 0.005 0.000 2.104 137 D HA -0.211 4.447 4.640 0.029 0.000 0.194 137 D C 2.418 178.723 176.300 0.008 0.000 0.994 137 D CA 2.049 56.054 54.000 0.009 0.000 0.830 137 D CB -0.266 40.541 40.800 0.013 0.000 0.959 137 D HN 0.503 nan 8.370 nan 0.000 0.452 138 Q N 0.977 120.780 119.800 0.005 0.000 2.016 138 Q HA -0.151 4.207 4.340 0.029 0.000 0.200 138 Q C 2.119 178.121 176.000 0.004 0.000 0.978 138 Q CA 1.656 57.461 55.803 0.004 0.000 0.833 138 Q CB -1.088 27.652 28.738 0.002 0.000 0.895 138 Q HN 0.433 nan 8.270 nan 0.000 0.427 139 Q N 0.047 119.849 119.800 0.003 0.000 2.096 139 Q HA -0.148 4.210 4.340 0.029 0.000 0.204 139 Q C 2.526 178.529 176.000 0.005 0.000 0.982 139 Q CA 1.842 57.647 55.803 0.003 0.000 0.850 139 Q CB -0.168 28.572 28.738 0.002 0.000 0.901 139 Q HN 0.710 nan 8.270 nan 0.000 0.422 140 S N 0.358 116.062 115.700 0.007 0.000 2.368 140 S HA -0.194 4.294 4.470 0.029 0.000 0.224 140 S C 1.849 176.453 174.600 0.007 0.000 1.029 140 S CA 1.228 59.433 58.200 0.008 0.000 0.988 140 S CB -0.015 63.191 63.200 0.011 0.000 0.838 140 S HN 0.335 nan 8.310 nan 0.000 0.462 141 Q N 0.232 120.036 119.800 0.007 0.000 2.226 141 Q HA 0.100 4.458 4.340 0.029 0.000 0.204 141 Q C 2.179 178.182 176.000 0.005 0.000 0.975 141 Q CA 1.264 57.070 55.803 0.006 0.000 0.866 141 Q CB -0.299 28.443 28.738 0.007 0.000 0.915 141 Q HN 0.721 nan 8.270 nan 0.000 0.440 142 A N -0.740 122.082 122.820 0.004 0.000 2.208 142 A HA 0.181 4.519 4.320 0.029 0.000 0.209 142 A C 0.410 177.996 177.584 0.003 0.000 1.161 142 A CA 0.367 52.406 52.037 0.004 0.000 0.782 142 A CB 0.445 19.447 19.000 0.003 0.000 0.816 142 A HN 0.135 nan 8.150 nan 0.000 0.477 150 A N 2.850 125.679 122.820 0.015 0.000 2.429 150 A HA 0.509 4.847 4.320 0.029 0.000 0.242 150 A C 0.650 178.249 177.584 0.025 0.000 1.088 150 A CA -0.216 51.833 52.037 0.019 0.000 0.784 150 A CB 0.186 19.198 19.000 0.020 0.000 1.038 150 A HN 0.573 nan 8.150 nan 0.000 0.501 151 M N 1.771 121.387 119.600 0.027 0.000 2.252 151 M HA 0.121 4.619 4.480 0.029 0.000 0.333 151 M C 1.079 177.403 176.300 0.041 0.000 1.111 151 M CA 0.181 55.501 55.300 0.033 0.000 1.140 151 M CB 0.253 32.868 32.600 0.026 0.000 1.538 151 M HN 0.921 nan 8.290 nan 0.000 0.448 152 S N 1.965 117.697 115.700 0.054 0.000 2.655 152 S HA 0.202 4.690 4.470 0.029 0.000 0.265 152 S C 0.834 175.476 174.600 0.071 0.000 1.240 152 S CA -0.703 57.537 58.200 0.067 0.000 0.986 152 S CB 1.353 64.612 63.200 0.098 0.000 0.985 152 S HN 0.831 nan 8.310 nan 0.000 0.562 153 K N -0.550 119.901 120.400 0.086 0.000 2.057 153 K HA -0.092 4.246 4.320 0.029 0.000 0.206 153 K C 1.869 178.538 176.600 0.116 0.000 1.050 153 K CA 1.143 57.483 56.287 0.088 0.000 0.935 153 K CB -0.374 32.180 32.500 0.090 0.000 0.715 153 K HN 0.625 nan 8.250 nan 0.000 0.439 154 F N 2.426 122.383 119.950 0.011 0.000 2.113 154 F HA -0.110 4.435 4.527 0.030 0.000 0.297 154 F C 1.835 177.633 175.800 -0.003 0.000 1.103 154 F CA 1.637 59.640 58.000 0.005 0.000 1.248 154 F CB -0.137 38.869 39.000 0.010 0.000 0.999 154 F HN 0.132 nan 8.300 nan 0.000 0.475 155 E N -0.306 119.881 120.200 -0.023 0.000 2.086 155 E HA -0.255 4.112 4.350 0.029 0.000 0.200 155 E C 2.268 178.773 176.600 -0.158 0.000 1.012 155 E CA 2.014 58.356 56.400 -0.097 0.000 0.812 155 E CB -0.511 29.202 29.700 0.021 0.000 0.743 155 E HN 0.285 nan 8.360 nan 0.000 0.453 156 V N 1.184 121.045 119.914 -0.090 0.000 2.343 156 V HA -0.264 3.874 4.120 0.029 0.000 0.247 156 V C 2.311 178.305 176.094 -0.168 0.000 1.051 156 V CA 1.545 63.799 62.300 -0.078 0.000 1.036 156 V CB -0.466 31.370 31.823 0.023 0.000 0.654 156 V HN 0.251 nan 8.190 nan 0.000 0.451 157 L N -0.376 120.715 121.223 -0.221 0.000 2.046 157 L HA -0.185 4.172 4.340 0.029 0.000 0.208 157 L C 2.661 179.249 176.870 -0.471 0.000 1.077 157 L CA 2.053 56.723 54.840 -0.283 0.000 0.747 157 L CB -1.025 40.932 42.059 -0.170 0.000 0.896 157 L HN 0.341 nan 8.230 nan 0.000 0.432 158 T N -0.129 114.010 114.554 -0.692 0.000 2.652 158 T HA -0.218 4.150 4.350 0.029 0.000 0.267 158 T C 2.018 176.304 174.700 -0.689 0.000 1.039 158 T CA 1.433 63.026 62.100 -0.844 0.000 1.153 158 T CB -0.352 67.999 68.868 -0.861 0.000 0.863 158 T HN 0.455 nan 8.240 nan 0.000 0.428 159 A N 1.162 123.774 122.820 -0.346 0.000 1.940 159 A HA -0.121 4.217 4.320 0.029 0.000 0.219 159 A C 2.338 179.806 177.584 -0.194 0.000 1.176 159 A CA 1.717 53.669 52.037 -0.140 0.000 0.631 159 A CB -0.725 18.227 19.000 -0.080 0.000 0.814 159 A HN 0.481 nan 8.150 nan 0.000 0.446 160 M N -0.857 118.575 119.600 -0.280 0.000 2.099 160 M HA -0.114 4.384 4.480 0.029 0.000 0.262 160 M C 2.591 178.659 176.300 -0.386 0.000 1.067 160 M CA 1.422 56.549 55.300 -0.288 0.000 1.124 160 M CB -0.390 32.018 32.600 -0.320 0.000 1.353 160 M HN 0.478 nan 8.290 nan 0.000 0.410 161 A N 0.337 122.829 122.820 -0.546 0.000 1.877 161 A HA -0.162 4.175 4.320 0.029 0.000 0.216 161 A C 1.822 178.739 177.584 -1.112 0.000 1.186 161 A CA 1.591 53.106 52.037 -0.871 0.000 0.620 161 A CB -0.994 17.502 19.000 -0.839 0.000 0.822 161 A HN 0.392 nan 8.150 nan 0.000 0.443 162 F N 0.222 119.839 119.950 -0.555 0.000 2.126 162 F HA -0.105 4.439 4.527 0.029 0.000 0.299 162 F C 2.819 178.569 175.800 -0.084 0.000 1.096 162 F CA 0.557 58.432 58.000 -0.209 0.000 1.255 162 F CB -1.089 37.894 39.000 -0.028 0.000 0.997 162 F HN 0.271 nan 8.300 nan 0.000 0.479 163 A N -0.193 122.648 122.820 0.034 0.000 1.929 163 A HA 0.073 4.411 4.320 0.029 0.000 0.216 163 A C 2.434 180.013 177.584 -0.007 0.000 1.176 163 A CA 1.451 53.503 52.037 0.025 0.000 0.628 163 A CB -1.208 17.773 19.000 -0.031 0.000 0.816 163 A HN 0.272 nan 8.150 nan 0.000 0.444 164 A N -0.691 122.051 122.820 -0.131 0.000 1.933 164 A HA 0.005 4.343 4.320 0.029 0.000 0.218 164 A C 1.858 179.484 177.584 0.071 0.000 1.175 164 A CA 1.549 53.537 52.037 -0.082 0.000 0.628 164 A CB -0.722 18.175 19.000 -0.172 0.000 0.814 164 A HN 0.431 nan 8.150 nan 0.000 0.444 165 F N 0.203 120.149 119.950 -0.008 0.000 2.134 165 F HA -0.083 4.462 4.527 0.029 0.000 0.299 165 F C 2.811 178.590 175.800 -0.036 0.000 1.097 165 F CA 0.394 58.305 58.000 -0.148 0.000 1.264 165 F CB -1.310 37.390 39.000 -0.500 0.000 1.001 165 F HN 0.275 nan 8.300 nan 0.000 0.479 166 A N -0.201 122.837 122.820 0.362 0.000 1.930 166 A HA -0.137 4.201 4.320 0.029 0.000 0.217 166 A C 1.941 179.622 177.584 0.162 0.000 1.175 166 A CA 1.703 53.924 52.037 0.308 0.000 0.627 166 A CB -0.721 18.438 19.000 0.266 0.000 0.815 166 A HN 0.246 nan 8.150 nan 0.000 0.443 167 D N 0.090 120.561 120.400 0.119 0.000 2.219 167 D HA 0.018 4.675 4.640 0.029 0.000 0.205 167 D C 2.125 178.468 176.300 0.072 0.000 0.970 167 D CA 1.186 55.231 54.000 0.074 0.000 0.851 167 D CB -0.194 40.634 40.800 0.047 0.000 0.943 167 D HN 0.440 nan 8.370 nan 0.000 0.488 168 A N 1.309 124.182 122.820 0.089 0.000 1.854 168 A HA 0.008 4.346 4.320 0.029 0.000 0.214 168 A C -1.011 176.603 177.584 0.051 0.000 1.192 168 A CA 0.669 52.747 52.037 0.068 0.000 0.611 168 A CB -1.316 17.729 19.000 0.074 0.000 0.832 168 A HN 0.245 nan 8.150 nan 0.000 0.442 169 P HA 0.533 nan 4.420 nan 0.000 0.284 169 P C -0.560 176.753 177.300 0.022 0.000 1.287 169 P CA -0.418 62.724 63.100 0.070 0.000 0.824 169 P CB 1.441 33.194 31.700 0.089 0.000 1.180 170 V N -3.035 116.862 119.914 -0.029 0.000 3.166 170 V HA 0.516 4.654 4.120 0.029 0.000 0.317 170 V C 0.293 176.355 176.094 -0.054 0.000 1.136 170 V CA -0.419 61.812 62.300 -0.115 0.000 1.035 170 V CB 1.603 33.224 31.823 -0.337 0.000 1.110 170 V HN 0.338 nan 8.190 nan 0.000 0.450 171 D N -0.067 120.301 120.400 -0.054 0.000 2.338 171 D HA 0.268 4.925 4.640 0.029 0.000 0.208 171 D C 0.149 176.456 176.300 0.011 0.000 0.997 171 D CA 1.118 55.133 54.000 0.026 0.000 0.880 171 D CB 1.237 42.078 40.800 0.067 0.000 0.980 171 D HN 0.420 nan 8.370 nan 0.000 0.509 172 V N 0.304 120.137 119.914 -0.134 0.000 2.969 172 V HA 0.628 4.766 4.120 0.029 0.000 0.304 172 V C -0.975 174.888 176.094 -0.386 0.000 1.192 172 V CA -1.228 60.942 62.300 -0.217 0.000 0.962 172 V CB 2.107 33.702 31.823 -0.380 0.000 1.045 172 V HN 0.054 nan 8.190 nan 0.000 0.428 173 A N 3.079 125.678 122.820 -0.369 0.000 2.337 173 A HA 0.916 5.254 4.320 0.029 0.000 0.329 173 A C -0.902 176.506 177.584 -0.293 0.000 1.146 173 A CA -0.624 51.112 52.037 -0.502 0.000 0.800 173 A CB 1.680 20.431 19.000 -0.416 0.000 1.220 173 A HN 0.846 nan 8.150 nan 0.000 0.472 174 V N 2.685 122.434 119.914 -0.276 0.000 2.357 174 V HA 0.470 4.607 4.120 0.029 0.000 0.284 174 V C -0.567 175.523 176.094 -0.007 0.000 1.018 174 V CA -0.433 61.785 62.300 -0.137 0.000 0.841 174 V CB 1.269 33.004 31.823 -0.147 0.000 0.991 174 V HN 0.608 nan 8.190 nan 0.000 0.437 175 V N 4.300 124.249 119.914 0.058 0.000 2.380 175 V HA 0.368 4.506 4.120 0.029 0.000 0.286 175 V C 0.026 176.237 176.094 0.195 0.000 1.015 175 V CA -0.616 61.757 62.300 0.122 0.000 0.834 175 V CB 1.596 33.448 31.823 0.047 0.000 1.009 175 V HN 0.960 nan 8.190 nan 0.000 0.428 176 E N 3.681 123.996 120.200 0.191 0.000 2.289 176 E HA 0.394 4.762 4.350 0.029 0.000 0.278 176 E C -0.496 176.267 176.600 0.271 0.000 1.032 176 E CA -0.463 56.063 56.400 0.210 0.000 0.854 176 E CB 1.685 31.476 29.700 0.153 0.000 1.046 176 E HN 0.475 nan 8.360 nan 0.000 0.409 177 V N 4.727 124.797 119.914 0.260 0.000 2.673 177 V HA -0.006 4.132 4.120 0.029 0.000 0.303 177 V C 1.415 177.571 176.094 0.103 0.000 1.046 177 V CA 1.099 63.540 62.300 0.234 0.000 1.126 177 V CB 1.309 33.209 31.823 0.128 0.000 0.934 177 V HN 0.993 nan 8.190 nan 0.000 0.487 178 G N 4.229 113.027 108.800 -0.004 0.000 2.404 178 G HA2 -0.009 3.969 3.960 0.029 0.000 0.214 178 G HA3 -0.009 3.969 3.960 0.029 0.000 0.214 178 G C 0.359 175.040 174.900 -0.365 0.000 1.189 178 G CA 0.405 45.144 45.100 -0.602 0.000 0.789 178 G HN 0.520 nan 8.290 nan 0.000 0.533 179 M N -1.652 117.813 119.600 -0.225 0.000 2.413 179 M HA 0.462 4.960 4.480 0.029 0.000 0.287 179 M C 0.712 176.999 176.300 -0.022 0.000 1.186 179 M CA 0.447 55.674 55.300 -0.121 0.000 0.927 179 M CB 1.842 34.347 32.600 -0.159 0.000 1.715 179 M HN 0.636 nan 8.290 nan 0.000 0.478 180 G N 2.391 111.194 108.800 0.004 0.000 2.646 180 G HA2 -0.211 3.767 3.960 0.029 0.000 0.324 180 G HA3 -0.211 3.767 3.960 0.029 0.000 0.324 180 G C 0.474 175.374 174.900 0.000 0.000 1.195 180 G CA 0.749 45.868 45.100 0.031 0.000 0.976 180 G HN 1.679 nan 8.290 nan 0.000 0.546 181 G N -2.101 106.691 108.800 -0.012 0.000 4.081 181 G HA2 0.117 4.095 3.960 0.029 0.000 0.192 181 G HA3 0.117 4.095 3.960 0.029 0.000 0.192 181 G C 1.118 175.936 174.900 -0.136 0.000 0.917 181 G CA 1.016 46.074 45.100 -0.070 0.000 0.915 181 G HN 0.825 nan 8.290 nan 0.000 0.330 182 R N -0.502 119.810 120.500 -0.314 0.000 2.083 182 R HA -0.048 4.309 4.340 0.029 0.000 0.237 182 R C 1.078 177.004 176.300 -0.623 0.000 1.137 182 R CA 2.035 57.729 56.100 -0.677 0.000 0.951 182 R CB -0.172 29.344 30.300 -1.306 0.000 0.851 182 R HN 0.467 nan 8.270 nan 0.000 0.434 183 W N 0.709 122.044 121.300 0.058 0.000 2.818 183 W HA 0.206 4.884 4.660 0.029 0.000 0.403 183 W C -0.424 176.156 176.519 0.101 0.000 0.991 183 W CA -1.078 56.310 57.345 0.071 0.000 1.925 183 W CB -0.444 29.047 29.460 0.051 0.000 1.166 183 W HN 0.077 nan 8.180 nan 0.000 0.605 184 D N 0.458 120.999 120.400 0.234 0.000 2.372 184 D HA 0.310 4.968 4.640 0.029 0.000 0.243 184 D C 1.577 178.071 176.300 0.324 0.000 1.121 184 D CA 0.500 54.663 54.000 0.271 0.000 0.898 184 D CB 1.746 42.690 40.800 0.239 0.000 1.202 184 D HN -0.038 nan 8.370 nan 0.000 0.428 185 A N 2.166 125.235 122.820 0.414 0.000 1.986 185 A HA -0.198 4.140 4.320 0.029 0.000 0.220 185 A C 2.027 179.783 177.584 0.287 0.000 1.171 185 A CA 2.263 54.475 52.037 0.292 0.000 0.640 185 A CB -1.174 17.906 19.000 0.134 0.000 0.811 185 A HN 0.756 nan 8.150 nan 0.000 0.451 186 T N -2.568 112.209 114.554 0.372 0.000 3.072 186 T HA -0.051 4.317 4.350 0.029 0.000 0.266 186 T C 1.043 175.994 174.700 0.418 0.000 1.127 186 T CA 1.028 63.375 62.100 0.411 0.000 1.107 186 T CB -0.487 68.625 68.868 0.406 0.000 0.910 186 T HN 0.328 nan 8.240 nan 0.000 0.513 187 N N 1.962 120.882 118.700 0.366 0.000 2.652 187 N HA 0.093 4.850 4.740 0.029 0.000 0.259 187 N C 0.539 176.153 175.510 0.174 0.000 1.240 187 N CA -0.139 53.095 53.050 0.308 0.000 0.951 187 N CB -0.214 38.374 38.487 0.169 0.000 1.281 187 N HN 0.517 nan 8.380 nan 0.000 0.507 188 V N -1.437 118.556 119.914 0.132 0.000 2.988 188 V HA 0.267 4.404 4.120 0.029 0.000 0.356 188 V C 0.983 177.014 176.094 -0.104 0.000 1.380 188 V CA -0.278 62.032 62.300 0.016 0.000 1.184 188 V CB -0.882 30.949 31.823 0.014 0.000 1.204 188 V HN 0.268 nan 8.190 nan 0.000 0.530 189 I N -4.025 116.507 120.570 -0.063 0.000 4.312 189 I HA 0.494 4.682 4.170 0.029 0.000 0.324 189 I C 1.057 177.145 176.117 -0.048 0.000 1.298 189 I CA 0.129 61.346 61.300 -0.137 0.000 1.231 189 I CB 0.189 38.087 38.000 -0.171 0.000 1.152 189 I HN 0.352 nan 8.210 nan 0.000 0.421 190 N N 2.487 121.202 118.700 0.025 0.000 2.738 190 N HA -0.175 4.583 4.740 0.029 0.000 0.249 190 N C 0.090 175.627 175.510 0.045 0.000 1.047 190 N CA 0.666 53.732 53.050 0.027 0.000 0.707 190 N CB -1.040 37.440 38.487 -0.012 0.000 0.937 190 N HN 0.693 nan 8.380 nan 0.000 0.545 191 A N 0.760 123.642 122.820 0.103 0.000 2.540 191 A HA 0.256 4.594 4.320 0.029 0.000 0.239 191 A C -0.506 177.134 177.584 0.093 0.000 1.061 191 A CA -0.189 51.917 52.037 0.115 0.000 0.758 191 A CB 0.304 19.423 19.000 0.199 0.000 0.991 191 A HN 0.353 nan 8.150 nan 0.000 0.502 192 P HA 0.026 nan 4.420 nan 0.000 0.229 192 P C -0.071 177.281 177.300 0.086 0.000 1.160 192 P CA 0.833 63.974 63.100 0.069 0.000 0.777 192 P CB 0.061 31.793 31.700 0.053 0.000 0.814 193 V N -0.076 119.912 119.914 0.123 0.000 2.638 193 V HA 0.658 4.796 4.120 0.029 0.000 0.306 193 V C -0.465 175.689 176.094 0.099 0.000 1.052 193 V CA -1.025 61.337 62.300 0.104 0.000 0.885 193 V CB 1.964 33.860 31.823 0.123 0.000 0.999 193 V HN 0.025 nan 8.190 nan 0.000 0.424 194 A N 4.594 127.457 122.820 0.072 0.000 2.330 194 A HA 0.897 5.234 4.320 0.029 0.000 0.313 194 A C -0.999 176.610 177.584 0.042 0.000 1.124 194 A CA -0.528 51.543 52.037 0.056 0.000 0.774 194 A CB 1.587 20.597 19.000 0.016 0.000 1.198 194 A HN 0.694 nan 8.150 nan 0.000 0.465 195 V N 3.721 123.660 119.914 0.042 0.000 2.555 195 V HA 0.524 4.661 4.120 0.029 0.000 0.302 195 V C -0.533 175.584 176.094 0.038 0.000 1.038 195 V CA -0.519 61.809 62.300 0.047 0.000 0.887 195 V CB 1.620 33.471 31.823 0.047 0.000 0.991 195 V HN 0.707 nan 8.190 nan 0.000 0.434 196 I N 3.837 124.438 120.570 0.050 0.000 2.448 196 I HA 0.339 4.527 4.170 0.029 0.000 0.281 196 I C 0.572 176.723 176.117 0.057 0.000 1.027 196 I CA -0.117 61.206 61.300 0.038 0.000 1.111 196 I CB 1.687 39.701 38.000 0.023 0.000 1.236 196 I HN 0.788 nan 8.210 nan 0.000 0.452 197 T N 3.903 118.489 114.554 0.053 0.000 2.770 197 T HA 0.489 4.857 4.350 0.029 0.000 0.281 197 T C -2.626 172.098 174.700 0.041 0.000 0.981 197 T CA -1.795 60.342 62.100 0.062 0.000 0.955 197 T CB 0.836 69.742 68.868 0.064 0.000 1.060 197 T HN 0.193 nan 8.240 nan 0.000 0.531 198 P HA 0.242 nan 4.420 nan 0.000 0.265 198 P C -0.680 176.625 177.300 0.008 0.000 1.193 198 P CA 0.124 63.232 63.100 0.012 0.000 0.765 198 P CB 0.139 31.839 31.700 0.000 0.000 0.823 199 I N 2.756 123.328 120.570 0.003 0.000 2.359 199 I HA 0.390 4.578 4.170 0.029 0.000 0.294 199 I C 0.768 176.885 176.117 0.001 0.000 0.987 199 I CA 0.215 61.519 61.300 0.006 0.000 1.225 199 I CB 1.256 39.261 38.000 0.009 0.000 1.366 199 I HN 0.466 nan 8.210 nan 0.000 0.466 200 S N 6.555 122.258 115.700 0.004 0.000 2.800 200 S HA 0.523 5.010 4.470 0.029 0.000 0.293 200 S C -0.942 173.665 174.600 0.012 0.000 1.209 200 S CA -0.899 57.301 58.200 0.000 0.000 0.884 200 S CB 1.147 64.337 63.200 -0.017 0.000 1.244 200 S HN 0.239 nan 8.310 nan 0.000 0.540 201 I N 2.060 122.635 120.570 0.007 0.000 2.529 201 I HA 0.466 4.654 4.170 0.029 0.000 0.284 201 I C 0.750 176.881 176.117 0.024 0.000 1.082 201 I CA 0.425 61.736 61.300 0.020 0.000 1.406 201 I CB 0.976 38.982 38.000 0.010 0.000 1.405 201 I HN 1.018 nan 8.210 nan 0.000 0.548 202 D N 3.079 123.512 120.400 0.055 0.000 2.957 202 D HA 0.001 4.658 4.640 0.029 0.000 0.175 202 D C 0.175 176.538 176.300 0.105 0.000 1.502 202 D CA 0.139 54.195 54.000 0.092 0.000 1.524 202 D CB 0.131 41.010 40.800 0.131 0.000 1.300 202 D HN 0.543 nan 8.370 nan 0.000 0.241 203 H N 0.812 119.901 119.070 0.031 0.000 2.767 203 H HA 0.486 5.060 4.556 0.029 0.000 0.316 203 H C -0.999 174.325 175.328 -0.006 0.000 1.059 203 H CA -0.145 55.905 56.048 0.003 0.000 1.461 203 H CB 0.703 30.460 29.762 -0.007 0.000 1.475 203 H HN -0.151 nan 8.280 nan 0.000 0.531 204 V N 6.684 126.277 119.914 -0.534 0.000 2.328 204 V HA 0.106 4.243 4.120 0.029 0.000 0.278 204 V C 0.059 175.891 176.094 -0.437 0.000 1.021 204 V CA -0.395 61.709 62.300 -0.328 0.000 0.838 204 V CB 1.420 33.126 31.823 -0.194 0.000 0.999 204 V HN 0.918 nan 8.190 nan 0.000 0.447 205 D N 2.613 122.816 120.400 -0.328 0.000 2.379 205 D HA 0.136 4.794 4.640 0.029 0.000 0.218 205 D C -0.265 175.550 176.300 -0.807 0.000 1.006 205 D CA 1.103 54.789 54.000 -0.523 0.000 0.893 205 D CB 0.623 41.107 40.800 -0.526 0.000 1.019 205 D HN 0.518 nan 8.370 nan 0.000 0.503 206 Y N -0.290 119.989 120.300 -0.036 0.000 2.545 206 Y HA 0.328 4.895 4.550 0.029 0.000 0.348 206 Y C 1.220 177.103 175.900 -0.028 0.000 1.002 206 Y CA -0.836 57.249 58.100 -0.024 0.000 1.039 206 Y CB 1.550 40.005 38.460 -0.009 0.000 1.271 206 Y HN -0.380 nan 8.280 nan 0.000 0.467 207 L N 1.010 122.312 121.223 0.133 0.000 2.005 207 L HA 0.035 4.393 4.340 0.029 0.000 0.207 207 L C 1.335 178.246 176.870 0.068 0.000 1.072 207 L CA 1.181 56.063 54.840 0.069 0.000 0.744 207 L CB -0.578 41.508 42.059 0.045 0.000 0.895 207 L HN 0.808 nan 8.230 nan 0.000 0.433 208 G N -0.156 108.689 108.800 0.074 0.000 2.442 208 G HA2 0.406 4.384 3.960 0.029 0.000 0.249 208 G HA3 0.406 4.384 3.960 0.029 0.000 0.249 208 G C -0.400 174.528 174.900 0.046 0.000 1.263 208 G CA -0.047 45.075 45.100 0.036 0.000 0.846 208 G HN 0.313 nan 8.290 nan 0.000 0.555 209 A N 1.880 124.716 122.820 0.027 0.000 2.252 209 A HA 0.434 4.772 4.320 0.029 0.000 0.309 209 A C 0.299 177.892 177.584 0.016 0.000 1.285 209 A CA -0.524 51.533 52.037 0.033 0.000 0.900 209 A CB 0.779 19.792 19.000 0.023 0.000 1.157 209 A HN 0.562 nan 8.150 nan 0.000 0.536 210 D N 3.508 123.922 120.400 0.023 0.000 3.032 210 D HA 0.235 4.893 4.640 0.029 0.000 0.241 210 D C 1.700 178.014 176.300 0.023 0.000 1.196 210 D CA 0.660 54.664 54.000 0.006 0.000 0.927 210 D CB -0.667 40.128 40.800 -0.009 0.000 1.129 210 D HN 0.551 nan 8.370 nan 0.000 0.458 211 I N 0.871 121.453 120.570 0.019 0.000 2.161 211 I HA -0.379 3.808 4.170 0.029 0.000 0.246 211 I C 2.321 178.450 176.117 0.019 0.000 1.048 211 I CA 2.608 63.919 61.300 0.019 0.000 1.314 211 I CB -1.452 36.553 38.000 0.008 0.000 1.014 211 I HN 0.454 nan 8.210 nan 0.000 0.418 212 A N 0.090 122.918 122.820 0.014 0.000 2.066 212 A HA 0.274 4.611 4.320 0.029 0.000 0.218 212 A C 2.685 180.283 177.584 0.023 0.000 1.157 212 A CA 1.622 53.667 52.037 0.013 0.000 0.670 212 A CB -1.316 17.688 19.000 0.006 0.000 0.804 212 A HN 1.216 nan 8.150 nan 0.000 0.453 213 G N 0.060 108.879 108.800 0.032 0.000 2.403 213 G HA2 -0.090 3.888 3.960 0.029 0.000 0.216 213 G HA3 -0.090 3.888 3.960 0.029 0.000 0.216 213 G C 1.488 176.430 174.900 0.070 0.000 1.154 213 G CA 0.944 46.076 45.100 0.053 0.000 0.784 213 G HN 0.443 nan 8.290 nan 0.000 0.538 214 I N 1.441 122.050 120.570 0.064 0.000 2.142 214 I HA -0.193 3.994 4.170 0.029 0.000 0.240 214 I C 3.327 179.469 176.117 0.042 0.000 1.078 214 I CA 1.064 62.404 61.300 0.066 0.000 1.343 214 I CB -0.257 37.781 38.000 0.063 0.000 1.046 214 I HN 0.234 nan 8.210 nan 0.000 0.405 215 A N 0.950 123.786 122.820 0.026 0.000 1.892 215 A HA -0.225 4.112 4.320 0.029 0.000 0.218 215 A C 2.426 180.008 177.584 -0.003 0.000 1.188 215 A CA 2.227 54.270 52.037 0.009 0.000 0.631 215 A CB -1.630 17.374 19.000 0.006 0.000 0.822 215 A HN 0.506 nan 8.150 nan 0.000 0.447 216 G N -0.614 108.189 108.800 0.005 0.000 2.450 216 G HA2 -0.257 3.720 3.960 0.029 0.000 0.220 216 G HA3 -0.257 3.720 3.960 0.029 0.000 0.220 216 G C 1.464 176.334 174.900 -0.051 0.000 1.130 216 G CA 1.269 46.362 45.100 -0.012 0.000 0.760 216 G HN 0.752 nan 8.290 nan 0.000 0.557 217 E N 0.452 120.639 120.200 -0.021 0.000 2.112 217 E HA -0.042 4.325 4.350 0.029 0.000 0.190 217 E C 2.296 178.829 176.600 -0.111 0.000 0.979 217 E CA 0.824 57.180 56.400 -0.073 0.000 0.814 217 E CB -0.117 29.638 29.700 0.091 0.000 0.762 217 E HN 0.373 nan 8.360 nan 0.000 0.460 218 K N 0.302 120.668 120.400 -0.056 0.000 2.097 218 K HA -0.056 4.282 4.320 0.029 0.000 0.206 218 K C 2.105 178.646 176.600 -0.098 0.000 1.049 218 K CA 1.033 57.281 56.287 -0.065 0.000 0.933 218 K CB -0.101 32.382 32.500 -0.029 0.000 0.717 218 K HN 0.150 nan 8.250 nan 0.000 0.442 219 A N 1.281 124.048 122.820 -0.087 0.000 2.209 219 A HA -0.005 4.333 4.320 0.029 0.000 0.212 219 A C 2.160 179.670 177.584 -0.123 0.000 1.158 219 A CA 1.218 53.203 52.037 -0.086 0.000 0.742 219 A CB -0.703 18.261 19.000 -0.059 0.000 0.790 219 A HN 0.407 nan 8.150 nan 0.000 0.472 220 G N 0.775 109.467 108.800 -0.180 0.000 2.559 220 G HA2 -0.068 3.910 3.960 0.029 0.000 0.216 220 G HA3 -0.068 3.910 3.960 0.029 0.000 0.216 220 G C 1.302 176.088 174.900 -0.191 0.000 1.126 220 G CA 0.929 45.890 45.100 -0.233 0.000 0.778 220 G HN 0.875 nan 8.290 nan 0.000 0.543 221 I N -1.737 118.716 120.570 -0.195 0.000 3.444 221 I HA 0.309 4.497 4.170 0.029 0.000 0.287 221 I C 0.315 176.360 176.117 -0.120 0.000 1.302 221 I CA 0.058 61.223 61.300 -0.225 0.000 1.368 221 I CB 0.011 37.696 38.000 -0.526 0.000 1.048 221 I HN -0.112 nan 8.210 nan 0.000 0.487 222 I N 3.481 123.998 120.570 -0.088 0.000 2.291 222 I HA 0.212 4.399 4.170 0.029 0.000 0.292 222 I C 0.414 176.510 176.117 -0.035 0.000 1.064 222 I CA -0.195 61.079 61.300 -0.042 0.000 1.269 222 I CB 0.695 38.675 38.000 -0.033 0.000 1.418 222 I HN 0.264 nan 8.210 nan 0.000 0.485 223 T N 1.730 116.276 114.554 -0.014 0.000 2.932 223 T HA 0.716 5.083 4.350 0.029 0.000 0.289 223 T C 0.210 174.908 174.700 -0.003 0.000 1.039 223 T CA -0.956 61.137 62.100 -0.012 0.000 1.024 223 T CB 1.381 70.248 68.868 -0.002 0.000 1.090 223 T HN 0.603 nan 8.240 nan 0.000 0.496 224 R N 0.627 121.123 120.500 -0.006 0.000 2.489 224 R HA 0.706 5.064 4.340 0.029 0.000 0.287 224 R C 0.808 177.107 176.300 -0.002 0.000 1.053 224 R CA -0.024 56.074 56.100 -0.004 0.000 1.036 224 R CB -1.315 28.982 30.300 -0.005 0.000 0.966 224 R HN 1.340 nan 8.270 nan 0.000 0.432 225 A N 4.258 127.077 122.820 -0.002 0.000 2.406 225 A HA 0.595 4.933 4.320 0.029 0.000 0.243 225 A C -1.528 176.051 177.584 -0.009 0.000 1.082 225 A CA -0.717 51.318 52.037 -0.004 0.000 0.786 225 A CB -0.110 18.887 19.000 -0.005 0.000 1.029 225 A HN 0.839 nan 8.150 nan 0.000 0.495 230 P HA 0.386 nan 4.420 nan 0.000 0.272 230 P C -0.736 176.553 177.300 -0.017 0.000 1.230 230 P CA -0.312 62.774 63.100 -0.023 0.000 0.788 230 P CB 0.312 31.992 31.700 -0.035 0.000 0.949 231 D N 0.405 120.800 120.400 -0.010 0.000 2.423 231 D HA 0.029 4.686 4.640 0.029 0.000 0.238 231 D C 0.135 176.436 176.300 0.001 0.000 1.142 231 D CA 0.531 54.530 54.000 -0.003 0.000 0.884 231 D CB 0.264 41.065 40.800 0.002 0.000 1.199 231 D HN 0.274 nan 8.370 nan 0.000 0.438 232 T N 1.116 115.674 114.554 0.007 0.000 2.928 232 T HA 0.165 4.532 4.350 0.029 0.000 0.305 232 T C 0.242 174.954 174.700 0.021 0.000 1.035 232 T CA -0.346 61.763 62.100 0.016 0.000 1.145 232 T CB 0.581 69.460 68.868 0.017 0.000 0.963 232 T HN -0.006 nan 8.240 nan 0.000 0.545 233 V N 2.755 122.687 119.914 0.030 0.000 2.394 233 V HA 0.622 4.759 4.120 0.029 0.000 0.282 233 V C 0.359 176.481 176.094 0.046 0.000 1.031 233 V CA -1.022 61.301 62.300 0.039 0.000 0.881 233 V CB 1.203 33.051 31.823 0.042 0.000 0.982 233 V HN 1.053 nan 8.190 nan 0.000 0.451 234 A N 5.076 127.925 122.820 0.049 0.000 2.276 234 A HA 0.782 5.120 4.320 0.029 0.000 0.316 234 A C -0.629 177.004 177.584 0.082 0.000 1.229 234 A CA -0.463 51.605 52.037 0.052 0.000 0.851 234 A CB 1.042 20.064 19.000 0.037 0.000 1.165 234 A HN 0.682 nan 8.150 nan 0.000 0.513 235 V N 4.532 124.499 119.914 0.089 0.000 2.378 235 V HA 0.423 4.561 4.120 0.029 0.000 0.288 235 V C -0.355 175.837 176.094 0.163 0.000 1.016 235 V CA -0.095 62.288 62.300 0.138 0.000 0.840 235 V CB 0.845 32.698 31.823 0.051 0.000 0.994 235 V HN 0.738 nan 8.190 nan 0.000 0.431 236 I N 3.646 124.358 120.570 0.235 0.000 2.465 236 I HA 0.637 4.825 4.170 0.029 0.000 0.291 236 I C 1.031 177.272 176.117 0.207 0.000 1.014 236 I CA -0.334 61.063 61.300 0.162 0.000 1.093 236 I CB 1.988 40.040 38.000 0.087 0.000 1.267 236 I HN 0.683 nan 8.210 nan 0.000 0.431 237 G N 4.814 113.707 108.800 0.154 0.000 2.489 237 G HA2 0.335 4.312 3.960 0.029 0.000 0.271 237 G HA3 0.335 4.312 3.960 0.029 0.000 0.271 237 G C -0.077 174.835 174.900 0.021 0.000 1.427 237 G CA -0.681 44.496 45.100 0.129 0.000 1.057 237 G HN 0.546 nan 8.290 nan 0.000 0.532 238 R N 0.344 120.825 120.500 -0.031 0.000 2.401 238 R HA 0.221 4.579 4.340 0.029 0.000 0.299 238 R C -0.332 175.938 176.300 -0.050 0.000 1.064 238 R CA 0.169 56.221 56.100 -0.079 0.000 1.000 238 R CB 0.478 30.686 30.300 -0.154 0.000 0.973 238 R HN 0.353 nan 8.270 nan 0.000 0.438 239 Q N 1.302 121.076 119.800 -0.044 0.000 2.451 239 Q HA 0.294 4.652 4.340 0.029 0.000 0.281 239 Q C -0.484 175.497 176.000 -0.033 0.000 1.099 239 Q CA -0.923 54.862 55.803 -0.029 0.000 0.806 239 Q CB 2.042 30.770 28.738 -0.017 0.000 1.419 239 Q HN 0.473 nan 8.270 nan 0.000 0.427 240 V N -1.039 118.860 119.914 -0.026 0.000 2.811 240 V HA 0.201 4.339 4.120 0.029 0.000 0.302 240 V C -1.762 174.320 176.094 -0.020 0.000 1.063 240 V CA -1.181 61.105 62.300 -0.024 0.000 1.088 240 V CB 0.251 32.062 31.823 -0.020 0.000 0.982 240 V HN 0.567 nan 8.190 nan 0.000 0.485 241 P HA -0.158 nan 4.420 nan 0.000 0.217 241 P C 1.750 179.042 177.300 -0.013 0.000 1.151 241 P CA 2.894 65.984 63.100 -0.017 0.000 0.849 241 P CB -0.114 31.576 31.700 -0.016 0.000 0.787 242 K N -0.482 119.911 120.400 -0.011 0.000 2.211 242 K HA -0.052 4.285 4.320 0.029 0.000 0.203 242 K C 2.111 178.708 176.600 -0.005 0.000 1.050 242 K CA 1.629 57.912 56.287 -0.007 0.000 0.945 242 K CB -1.593 30.903 32.500 -0.006 0.000 0.732 242 K HN 0.025 nan 8.250 nan 0.000 0.451 243 V N 0.307 120.218 119.914 -0.006 0.000 2.283 243 V HA -0.210 3.928 4.120 0.029 0.000 0.243 243 V C 2.554 178.645 176.094 -0.006 0.000 1.039 243 V CA 1.912 64.209 62.300 -0.004 0.000 1.016 243 V CB -0.344 31.476 31.823 -0.004 0.000 0.650 243 V HN 0.593 nan 8.190 nan 0.000 0.449 244 M N 1.320 120.915 119.600 -0.009 0.000 2.103 244 M HA -0.258 4.239 4.480 0.029 0.000 0.255 244 M C 2.095 178.391 176.300 -0.007 0.000 1.074 244 M CA 2.748 58.043 55.300 -0.010 0.000 1.090 244 M CB -0.898 31.692 32.600 -0.016 0.000 1.325 244 M HN 0.503 nan 8.290 nan 0.000 0.403 245 E N -1.328 118.868 120.200 -0.007 0.000 2.110 245 E HA -0.080 4.287 4.350 0.029 0.000 0.193 245 E C 2.065 178.663 176.600 -0.004 0.000 0.988 245 E CA 1.815 58.211 56.400 -0.006 0.000 0.804 245 E CB -1.370 28.327 29.700 -0.006 0.000 0.745 245 E HN 0.484 nan 8.360 nan 0.000 0.458 246 V N 0.946 120.858 119.914 -0.004 0.000 2.307 246 V HA -0.189 3.948 4.120 0.029 0.000 0.245 246 V C 2.754 178.844 176.094 -0.007 0.000 1.045 246 V CA 1.671 63.968 62.300 -0.004 0.000 1.024 246 V CB -0.471 31.351 31.823 -0.002 0.000 0.651 246 V HN 0.570 nan 8.190 nan 0.000 0.449 247 L N -0.537 120.682 121.223 -0.006 0.000 2.013 247 L HA -0.233 4.125 4.340 0.029 0.000 0.212 247 L C 2.473 179.341 176.870 -0.003 0.000 1.073 247 L CA 1.711 56.547 54.840 -0.006 0.000 0.753 247 L CB -0.841 41.218 42.059 -0.000 0.000 0.890 247 L HN 0.305 nan 8.230 nan 0.000 0.432 248 L N -0.083 121.139 121.223 -0.001 0.000 2.079 248 L HA -0.216 4.142 4.340 0.029 0.000 0.210 248 L C 2.800 179.670 176.870 -0.001 0.000 1.081 248 L CA 1.306 56.147 54.840 0.001 0.000 0.752 248 L CB -0.742 41.317 42.059 0.000 0.000 0.896 248 L HN 0.284 nan 8.230 nan 0.000 0.433 249 A N -0.750 122.068 122.820 -0.003 0.000 2.021 249 A HA -0.081 4.257 4.320 0.029 0.000 0.216 249 A C 2.163 179.743 177.584 -0.007 0.000 1.163 249 A CA 0.679 52.714 52.037 -0.004 0.000 0.676 249 A CB -0.121 18.877 19.000 -0.003 0.000 0.818 249 A HN 0.336 nan 8.150 nan 0.000 0.453 250 E N 0.421 120.614 120.200 -0.012 0.000 2.107 250 E HA -0.087 4.281 4.350 0.029 0.000 0.191 250 E C 2.163 178.755 176.600 -0.014 0.000 0.982 250 E CA 1.233 57.622 56.400 -0.019 0.000 0.809 250 E CB -0.516 29.165 29.700 -0.032 0.000 0.756 250 E HN 0.513 nan 8.360 nan 0.000 0.459 251 S N 1.058 116.753 115.700 -0.007 0.000 2.359 251 S HA -0.123 4.364 4.470 0.029 0.000 0.224 251 S C 2.334 176.934 174.600 0.001 0.000 1.035 251 S CA 1.111 59.311 58.200 -0.001 0.000 1.018 251 S CB -0.340 62.864 63.200 0.007 0.000 0.876 251 S HN 0.043 nan 8.310 nan 0.000 0.448 252 V N 2.505 122.419 119.914 0.000 0.000 2.220 252 V HA -0.285 3.853 4.120 0.029 0.000 0.250 252 V C 2.513 178.606 176.094 -0.001 0.000 1.056 252 V CA 1.922 64.222 62.300 0.001 0.000 1.016 252 V CB -0.697 31.126 31.823 0.001 0.000 0.639 252 V HN 0.432 nan 8.190 nan 0.000 0.446 253 R N 0.159 120.657 120.500 -0.004 0.000 2.154 253 R HA -0.177 4.181 4.340 0.029 0.000 0.248 253 R C 1.968 178.264 176.300 -0.006 0.000 1.155 253 R CA 1.629 57.726 56.100 -0.006 0.000 0.979 253 R CB -0.595 29.699 30.300 -0.009 0.000 0.869 253 R HN 0.563 nan 8.270 nan 0.000 0.452 254 A N 0.928 123.743 122.820 -0.007 0.000 2.302 254 A HA 0.174 4.511 4.320 0.029 0.000 0.219 254 A C 0.303 177.886 177.584 -0.001 0.000 1.243 254 A CA 0.684 52.718 52.037 -0.006 0.000 0.856 254 A CB -0.694 18.301 19.000 -0.008 0.000 0.893 254 A HN 0.508 nan 8.150 nan 0.000 0.491 255 D N -0.939 119.461 120.400 0.000 0.000 2.886 255 D HA 0.200 4.857 4.640 0.029 0.000 0.221 255 D C 0.075 176.378 176.300 0.005 0.000 1.227 255 D CA 0.890 54.891 54.000 0.003 0.000 0.746 255 D CB -1.855 38.946 40.800 0.002 0.000 0.935 255 D HN 1.748 nan 8.370 nan 0.000 0.399 256 A N 0.848 123.672 122.820 0.008 0.000 2.331 256 A HA 0.803 5.141 4.320 0.029 0.000 0.320 256 A C 0.668 178.263 177.584 0.018 0.000 1.138 256 A CA 0.357 52.402 52.037 0.012 0.000 0.790 256 A CB 1.884 20.890 19.000 0.012 0.000 1.206 256 A HN 1.201 nan 8.150 nan 0.000 0.470 257 S N 0.921 116.634 115.700 0.022 0.000 2.549 257 S HA 0.369 4.857 4.470 0.029 0.000 0.286 257 S C -0.021 174.605 174.600 0.043 0.000 1.314 257 S CA -0.066 58.152 58.200 0.030 0.000 1.062 257 S CB -0.013 63.206 63.200 0.030 0.000 0.865 257 S HN 0.647 nan 8.310 nan 0.000 0.498 258 V N 3.830 123.773 119.914 0.049 0.000 2.513 258 V HA 0.761 4.899 4.120 0.029 0.000 0.299 258 V C 0.114 176.266 176.094 0.097 0.000 1.035 258 V CA -0.711 61.627 62.300 0.064 0.000 0.889 258 V CB 1.455 33.306 31.823 0.047 0.000 0.988 258 V HN 0.963 nan 8.190 nan 0.000 0.440 259 A N 5.717 128.627 122.820 0.151 0.000 2.332 259 A HA 0.827 5.164 4.320 0.029 0.000 0.300 259 A C -0.333 177.448 177.584 0.328 0.000 1.153 259 A CA -0.716 51.474 52.037 0.255 0.000 0.764 259 A CB 0.813 20.003 19.000 0.318 0.000 1.174 259 A HN 0.853 nan 8.150 nan 0.000 0.467 260 R N 1.423 121.980 120.500 0.095 0.000 2.664 260 R HA 0.466 4.824 4.340 0.029 0.000 0.286 260 R C -0.208 175.712 176.300 -0.633 0.000 0.967 260 R CA -0.727 55.316 56.100 -0.095 0.000 0.933 260 R CB 1.940 32.192 30.300 -0.081 0.000 1.146 260 R HN 0.859 nan 8.270 nan 0.000 0.468 261 E N 1.593 121.335 120.200 -0.763 0.000 2.398 261 E HA -0.104 4.264 4.350 0.029 0.000 0.263 261 E C -0.430 175.853 176.600 -0.528 0.000 1.046 261 E CA 0.166 55.925 56.400 -1.069 0.000 0.908 261 E CB 0.380 29.835 29.700 -0.409 0.000 0.963 261 E HN 0.567 nan 8.360 nan 0.000 0.431 262 D N 1.632 121.773 120.400 -0.431 0.000 2.946 262 D HA -0.176 4.482 4.640 0.029 0.000 0.202 262 D C 0.294 176.493 176.300 -0.168 0.000 1.068 262 D CA 1.499 55.376 54.000 -0.205 0.000 1.011 262 D CB -1.291 39.428 40.800 -0.135 0.000 1.105 262 D HN 0.379 nan 8.370 nan 0.000 0.425 263 S N -0.682 114.887 115.700 -0.219 0.000 3.039 263 S HA 0.113 4.601 4.470 0.029 0.000 0.251 263 S C 1.473 176.026 174.600 -0.078 0.000 1.064 263 S CA -0.038 58.092 58.200 -0.117 0.000 0.822 263 S CB 0.480 63.629 63.200 -0.086 0.000 0.802 263 S HN 0.046 nan 8.310 nan 0.000 0.519 264 E N 0.836 120.975 120.200 -0.102 0.000 2.415 264 E HA 0.352 4.719 4.350 0.029 0.000 0.197 264 E C -0.194 176.549 176.600 0.237 0.000 1.007 264 E CA 0.132 56.580 56.400 0.081 0.000 0.890 264 E CB 0.343 30.152 29.700 0.182 0.000 0.891 264 E HN 0.632 nan 8.360 nan 0.000 0.496 265 F N -2.064 117.922 119.950 0.060 0.000 2.713 265 F HA 0.844 5.388 4.527 0.029 0.000 0.311 265 F C -1.222 174.622 175.800 0.072 0.000 1.141 265 F CA -1.735 56.309 58.000 0.075 0.000 0.939 265 F CB 0.924 39.979 39.000 0.092 0.000 1.325 265 F HN -0.216 nan 8.300 nan 0.000 0.453 266 A N 0.463 123.436 122.820 0.256 0.000 2.583 266 A HA 0.616 4.954 4.320 0.029 0.000 0.292 266 A C -2.024 175.654 177.584 0.157 0.000 1.045 266 A CA -0.797 51.327 52.037 0.146 0.000 0.672 266 A CB 1.038 20.066 19.000 0.045 0.000 1.283 266 A HN 1.148 nan 8.150 nan 0.000 0.419 267 V N 2.998 122.983 119.914 0.117 0.000 2.405 267 V HA 0.150 4.288 4.120 0.029 0.000 0.264 267 V C 1.249 177.361 176.094 0.030 0.000 1.048 267 V CA 0.178 62.499 62.300 0.034 0.000 0.966 267 V CB 0.188 31.969 31.823 -0.070 0.000 1.015 267 V HN 0.775 nan 8.190 nan 0.000 0.477 268 L N 3.963 125.202 121.223 0.027 0.000 2.102 268 L HA 0.197 4.555 4.340 0.029 0.000 0.202 268 L C 1.343 178.214 176.870 0.002 0.000 1.076 268 L CA 1.190 56.041 54.840 0.020 0.000 0.761 268 L CB -0.274 41.801 42.059 0.026 0.000 0.921 268 L HN 0.749 nan 8.230 nan 0.000 0.444 269 R N 0.348 120.842 120.500 -0.010 0.000 2.740 269 R HA 0.802 5.160 4.340 0.029 0.000 0.273 269 R C -0.991 175.284 176.300 -0.041 0.000 0.998 269 R CA -0.717 55.372 56.100 -0.019 0.000 0.900 269 R CB 1.470 31.764 30.300 -0.009 0.000 1.223 269 R HN 0.083 nan 8.270 nan 0.000 0.466 270 R N 1.001 121.474 120.500 -0.045 0.000 2.548 270 R HA 0.419 4.777 4.340 0.029 0.000 0.280 270 R C -1.652 174.621 176.300 -0.044 0.000 1.061 270 R CA -0.455 55.608 56.100 -0.063 0.000 0.915 270 R CB 2.338 32.590 30.300 -0.080 0.000 1.210 270 R HN 0.787 nan 8.270 nan 0.000 0.442 271 Q N 4.974 124.750 119.800 -0.040 0.000 2.271 271 Q HA 0.289 4.647 4.340 0.029 0.000 0.268 271 Q C -0.668 175.321 176.000 -0.019 0.000 1.021 271 Q CA -0.880 54.908 55.803 -0.024 0.000 0.802 271 Q CB 1.379 30.112 28.738 -0.008 0.000 1.282 271 Q HN 0.451 nan 8.270 nan 0.000 0.431 272 I N 2.511 123.066 120.570 -0.025 0.000 2.775 272 I HA 0.238 4.425 4.170 0.029 0.000 0.290 272 I C 0.361 176.487 176.117 0.015 0.000 1.203 272 I CA 0.661 61.948 61.300 -0.022 0.000 1.433 272 I CB 0.011 37.977 38.000 -0.057 0.000 1.354 272 I HN 0.704 nan 8.210 nan 0.000 0.579 273 A N 5.886 128.742 122.820 0.060 0.000 2.515 273 A HA 0.632 4.970 4.320 0.029 0.000 0.296 273 A C -0.668 177.009 177.584 0.154 0.000 1.094 273 A CA -0.698 51.412 52.037 0.121 0.000 0.718 273 A CB 1.218 20.359 19.000 0.235 0.000 1.307 273 A HN 0.343 nan 8.150 nan 0.000 0.408 274 V N 1.701 121.693 119.914 0.130 0.000 2.555 274 V HA 0.317 4.455 4.120 0.029 0.000 0.299 274 V C 1.647 177.889 176.094 0.247 0.000 1.012 274 V CA 2.201 64.589 62.300 0.146 0.000 1.180 274 V CB -0.316 31.554 31.823 0.078 0.000 0.887 274 V HN 2.260 nan 8.190 nan 0.000 0.476 275 G N 3.018 111.996 108.800 0.297 0.000 2.199 275 G HA2 0.015 3.992 3.960 0.029 0.000 0.254 275 G HA3 0.015 3.992 3.960 0.029 0.000 0.254 275 G C 0.654 175.601 174.900 0.077 0.000 0.982 275 G CA 0.103 45.377 45.100 0.290 0.000 0.632 275 G HN 1.830 nan 8.290 nan 0.000 0.529 276 G N -0.964 107.891 108.800 0.091 0.000 2.563 276 G HA2 0.657 4.635 3.960 0.029 0.000 0.068 276 G HA3 0.657 4.635 3.960 0.029 0.000 0.068 276 G C -0.777 174.082 174.900 -0.068 0.000 1.001 276 G CA 0.964 45.958 45.100 -0.176 0.000 1.188 276 G HN 1.634 nan 8.290 nan 0.000 0.512 277 Q N -1.088 118.596 119.800 -0.192 0.000 2.522 277 Q HA 0.673 5.030 4.340 0.029 0.000 0.285 277 Q C -1.992 173.946 176.000 -0.103 0.000 0.982 277 Q CA -0.960 54.778 55.803 -0.108 0.000 0.805 277 Q CB 2.454 31.107 28.738 -0.142 0.000 1.457 277 Q HN 0.644 nan 8.270 nan 0.000 0.394 278 V N 2.248 122.150 119.914 -0.019 0.000 2.417 278 V HA 0.499 4.637 4.120 0.029 0.000 0.291 278 V C -0.484 175.581 176.094 -0.050 0.000 1.024 278 V CA -0.585 61.721 62.300 0.009 0.000 0.861 278 V CB 1.357 33.226 31.823 0.076 0.000 0.985 278 V HN 0.604 nan 8.190 nan 0.000 0.436 279 L N 4.401 125.576 121.223 -0.079 0.000 2.334 279 L HA 0.655 5.013 4.340 0.029 0.000 0.273 279 L C -0.271 176.576 176.870 -0.039 0.000 1.013 279 L CA -0.484 54.296 54.840 -0.101 0.000 0.816 279 L CB 1.802 43.739 42.059 -0.202 0.000 1.278 279 L HN 0.621 nan 8.230 nan 0.000 0.431 280 Q N 3.332 123.119 119.800 -0.023 0.000 2.341 280 Q HA 0.622 4.979 4.340 0.029 0.000 0.268 280 Q C -1.871 174.148 176.000 0.033 0.000 1.013 280 Q CA -0.513 55.301 55.803 0.019 0.000 0.798 280 Q CB 1.597 30.346 28.738 0.018 0.000 1.253 280 Q HN 0.608 nan 8.270 nan 0.000 0.457 281 L N 3.313 124.589 121.223 0.087 0.000 2.365 281 L HA 0.439 4.797 4.340 0.029 0.000 0.273 281 L C -0.565 176.417 176.870 0.187 0.000 1.000 281 L CA -0.821 54.091 54.840 0.121 0.000 0.819 281 L CB 2.276 44.407 42.059 0.120 0.000 1.284 281 L HN 0.662 nan 8.230 nan 0.000 0.418 282 Q N 1.615 121.518 119.800 0.171 0.000 2.377 282 Q HA 0.436 4.793 4.340 0.029 0.000 0.249 282 Q C 0.129 176.295 176.000 0.277 0.000 1.005 282 Q CA -0.296 55.617 55.803 0.183 0.000 0.912 282 Q CB 1.470 30.285 28.738 0.128 0.000 1.223 282 Q HN 0.788 nan 8.270 nan 0.000 0.459 283 G N 2.397 111.399 108.800 0.337 0.000 2.509 283 G HA2 0.157 4.134 3.960 0.029 0.000 0.269 283 G HA3 0.157 4.134 3.960 0.029 0.000 0.269 283 G C 0.526 175.579 174.900 0.255 0.000 1.416 283 G CA -0.570 44.726 45.100 0.328 0.000 1.052 283 G HN 0.735 nan 8.290 nan 0.000 0.542 284 L N -0.187 121.160 121.223 0.208 0.000 2.156 284 L HA 0.111 4.469 4.340 0.029 0.000 0.208 284 L C 2.598 179.551 176.870 0.138 0.000 1.095 284 L CA 1.201 56.142 54.840 0.168 0.000 0.770 284 L CB -0.166 41.971 42.059 0.130 0.000 0.914 284 L HN 0.612 nan 8.230 nan 0.000 0.439 285 G N -0.937 107.959 108.800 0.160 0.000 3.159 285 G HA2 0.479 4.456 3.960 0.029 0.000 0.232 285 G HA3 0.479 4.456 3.960 0.029 0.000 0.232 285 G C 0.453 175.355 174.900 0.003 0.000 1.116 285 G CA 0.557 45.718 45.100 0.102 0.000 0.767 285 G HN 0.453 nan 8.290 nan 0.000 0.547 286 G N -1.261 107.508 108.800 -0.050 0.000 2.337 286 G HA2 0.343 4.321 3.960 0.029 0.000 0.298 286 G HA3 0.343 4.321 3.960 0.029 0.000 0.298 286 G C -1.618 173.103 174.900 -0.299 0.000 1.335 286 G CA -0.529 44.438 45.100 -0.223 0.000 0.875 286 G HN 0.426 nan 8.290 nan 0.000 0.579 287 V N 0.626 120.375 119.914 -0.276 0.000 2.498 287 V HA 0.501 4.638 4.120 0.029 0.000 0.279 287 V C -0.802 175.099 176.094 -0.321 0.000 1.048 287 V CA -0.132 62.063 62.300 -0.174 0.000 0.967 287 V CB 0.615 32.394 31.823 -0.074 0.000 0.988 287 V HN 0.529 nan 8.190 nan 0.000 0.473 288 Y N 2.484 122.814 120.300 0.050 0.000 2.328 288 Y HA 0.550 5.117 4.550 0.029 0.000 0.336 288 Y C 0.625 176.549 175.900 0.040 0.000 0.960 288 Y CA -0.423 57.709 58.100 0.054 0.000 1.134 288 Y CB 1.819 40.328 38.460 0.082 0.000 1.166 288 Y HN 0.627 nan 8.280 nan 0.000 0.464 289 S N 1.553 117.348 115.700 0.158 0.000 2.664 289 S HA 0.345 4.833 4.470 0.029 0.000 0.304 289 S C -0.791 173.866 174.600 0.095 0.000 1.099 289 S CA -1.052 57.204 58.200 0.094 0.000 1.003 289 S CB 1.116 64.348 63.200 0.053 0.000 1.092 289 S HN 0.747 nan 8.310 nan 0.000 0.525 290 D N 0.318 120.758 120.400 0.067 0.000 2.699 290 D HA -0.145 4.512 4.640 0.029 0.000 0.239 290 D C -0.774 175.581 176.300 0.093 0.000 1.136 290 D CA 0.607 54.650 54.000 0.070 0.000 0.668 290 D CB -1.436 39.402 40.800 0.063 0.000 1.060 290 D HN 0.492 nan 8.370 nan 0.000 0.429 291 I N 1.082 121.693 120.570 0.068 0.000 2.337 291 I HA 0.048 4.235 4.170 0.029 0.000 0.291 291 I C 0.590 176.738 176.117 0.051 0.000 1.046 291 I CA -0.707 60.630 61.300 0.061 0.000 1.324 291 I CB 0.376 38.355 38.000 -0.035 0.000 1.409 291 I HN 0.004 nan 8.210 nan 0.000 0.494 292 Y N 8.196 128.496 120.300 0.001 0.000 2.365 292 Y HA 0.428 4.995 4.550 0.028 0.000 0.340 292 Y C -0.909 174.980 175.900 -0.019 0.000 1.016 292 Y CA -0.633 57.458 58.100 -0.015 0.000 1.196 292 Y CB 0.918 39.381 38.460 0.004 0.000 1.167 292 Y HN 0.459 nan 8.280 nan 0.000 0.509 293 L N 10.576 131.352 121.223 -0.745 0.000 2.316 293 L HA 0.561 4.918 4.340 0.029 0.000 0.280 293 L C -2.326 174.037 176.870 -0.845 0.000 1.006 293 L CA -2.291 52.178 54.840 -0.619 0.000 0.836 293 L CB 1.609 43.406 42.059 -0.437 0.000 1.221 293 L HN 0.482 nan 8.230 nan 0.000 0.418 294 P HA 0.133 nan 4.420 nan 0.000 0.237 294 P C -0.979 176.134 177.300 -0.312 0.000 1.723 294 P CA 0.359 63.209 63.100 -0.418 0.000 0.882 294 P CB -0.300 31.357 31.700 -0.072 0.000 1.810 295 L N 0.594 121.593 121.223 -0.374 0.000 2.422 295 L HA 0.448 4.805 4.340 0.029 0.000 0.264 295 L C 0.401 177.048 176.870 -0.372 0.000 0.984 295 L CA -1.027 53.616 54.840 -0.328 0.000 0.819 295 L CB 2.086 44.028 42.059 -0.196 0.000 1.330 295 L HN 0.078 nan 8.230 nan 0.000 0.410 296 H N 1.354 120.426 119.070 0.004 0.000 2.481 296 H HA 0.674 5.249 4.556 0.032 0.000 0.339 296 H C 0.297 175.568 175.328 -0.095 0.000 1.131 296 H CA -0.153 55.897 56.048 0.004 0.000 1.301 296 H CB 1.889 31.763 29.762 0.187 0.000 1.476 296 H HN 0.780 nan 8.280 nan 0.000 0.529 297 G N 1.603 110.413 108.800 0.016 0.000 3.014 297 G HA2 -0.161 3.817 3.960 0.029 0.000 0.683 297 G HA3 -0.161 3.817 3.960 0.029 0.000 0.683 297 G C 0.603 175.411 174.900 -0.153 0.000 1.271 297 G CA -0.128 44.944 45.100 -0.047 0.000 0.843 297 G HN 0.641 nan 8.290 nan 0.000 0.612 298 E N 0.606 120.822 120.200 0.026 0.000 2.118 298 E HA -0.273 4.094 4.350 0.029 0.000 0.195 298 E C 2.211 178.814 176.600 0.004 0.000 0.992 298 E CA 1.779 58.179 56.400 0.000 0.000 0.804 298 E CB -0.151 29.617 29.700 0.113 0.000 0.741 298 E HN 0.804 nan 8.360 nan 0.000 0.458 299 H N -0.141 118.979 119.070 0.083 0.000 2.422 299 H HA -0.104 4.469 4.556 0.028 0.000 0.298 299 H C 1.589 176.958 175.328 0.069 0.000 1.098 299 H CA 1.152 57.279 56.048 0.132 0.000 1.315 299 H CB -0.249 29.560 29.762 0.079 0.000 1.382 299 H HN 0.228 nan 8.280 nan 0.000 0.523 300 Q N 0.700 120.208 119.800 -0.486 0.000 2.311 300 Q HA 0.144 4.501 4.340 0.029 0.000 0.203 300 Q C 2.554 178.417 176.000 -0.227 0.000 0.954 300 Q CA 0.947 56.561 55.803 -0.316 0.000 0.885 300 Q CB -0.159 28.360 28.738 -0.365 0.000 0.963 300 Q HN 0.645 nan 8.270 nan 0.000 0.471 301 A N 0.841 123.495 122.820 -0.276 0.000 1.933 301 A HA -0.195 4.142 4.320 0.029 0.000 0.218 301 A C 1.774 179.188 177.584 -0.283 0.000 1.175 301 A CA 1.239 53.079 52.037 -0.327 0.000 0.628 301 A CB -0.579 18.185 19.000 -0.393 0.000 0.814 301 A HN 0.329 nan 8.150 nan 0.000 0.444 302 H N 0.222 119.280 119.070 -0.020 0.000 2.363 302 H HA -0.057 4.516 4.556 0.029 0.000 0.301 302 H C 1.884 177.249 175.328 0.062 0.000 1.074 302 H CA 1.462 57.535 56.048 0.043 0.000 1.354 302 H CB -0.323 29.476 29.762 0.062 0.000 1.397 302 H HN 0.441 nan 8.280 nan 0.000 0.516 303 N N 1.074 119.858 118.700 0.141 0.000 2.069 303 N HA -0.127 4.630 4.740 0.029 0.000 0.191 303 N C 2.099 177.661 175.510 0.087 0.000 1.031 303 N CA 1.331 54.444 53.050 0.105 0.000 0.852 303 N CB -0.482 38.051 38.487 0.076 0.000 1.018 303 N HN 0.332 nan 8.380 nan 0.000 0.423 304 A N 0.637 123.458 122.820 0.002 0.000 1.877 304 A HA -0.086 4.252 4.320 0.029 0.000 0.216 304 A C 2.478 180.108 177.584 0.075 0.000 1.186 304 A CA 1.516 53.539 52.037 -0.023 0.000 0.620 304 A CB -0.969 17.726 19.000 -0.508 0.000 0.822 304 A HN 0.165 nan 8.150 nan 0.000 0.443 305 V N -0.667 119.266 119.914 0.031 0.000 2.548 305 V HA -0.135 4.003 4.120 0.029 0.000 0.249 305 V C 2.322 178.447 176.094 0.052 0.000 1.055 305 V CA 1.886 64.249 62.300 0.104 0.000 1.065 305 V CB -0.307 31.636 31.823 0.199 0.000 0.681 305 V HN 0.508 nan 8.190 nan 0.000 0.462 306 L N 0.746 122.037 121.223 0.113 0.000 2.017 306 L HA -0.047 4.310 4.340 0.029 0.000 0.208 306 L C 2.555 179.391 176.870 -0.056 0.000 1.073 306 L CA 2.550 57.399 54.840 0.015 0.000 0.745 306 L CB -1.070 41.074 42.059 0.141 0.000 0.894 306 L HN 0.322 nan 8.230 nan 0.000 0.432 307 A N -1.046 121.800 122.820 0.044 0.000 1.902 307 A HA -0.208 4.129 4.320 0.029 0.000 0.217 307 A C 2.232 179.803 177.584 -0.021 0.000 1.181 307 A CA 1.891 53.945 52.037 0.028 0.000 0.623 307 A CB -0.948 18.115 19.000 0.105 0.000 0.818 307 A HN 0.432 nan 8.150 nan 0.000 0.443 308 L N -0.099 121.160 121.223 0.060 0.000 1.976 308 L HA -0.099 4.259 4.340 0.029 0.000 0.209 308 L C 2.759 179.556 176.870 -0.122 0.000 1.071 308 L CA 2.388 57.219 54.840 -0.016 0.000 0.746 308 L CB -0.934 41.186 42.059 0.103 0.000 0.890 308 L HN 0.356 nan 8.230 nan 0.000 0.432 309 A N -1.508 121.133 122.820 -0.298 0.000 1.997 309 A HA -0.262 4.076 4.320 0.029 0.000 0.221 309 A C 2.381 179.833 177.584 -0.219 0.000 1.172 309 A CA 2.308 54.086 52.037 -0.431 0.000 0.645 309 A CB -1.004 17.251 19.000 -1.241 0.000 0.813 309 A HN 0.591 nan 8.150 nan 0.000 0.454 310 S N -0.900 114.699 115.700 -0.169 0.000 2.371 310 S HA -0.076 4.412 4.470 0.029 0.000 0.224 310 S C 1.818 176.411 174.600 -0.011 0.000 1.029 310 S CA 1.274 59.432 58.200 -0.070 0.000 0.978 310 S CB -0.288 62.874 63.200 -0.063 0.000 0.833 310 S HN 0.354 nan 8.310 nan 0.000 0.466 311 V N 1.878 121.781 119.914 -0.019 0.000 2.548 311 V HA -0.093 4.045 4.120 0.029 0.000 0.249 311 V C 2.273 178.479 176.094 0.187 0.000 1.055 311 V CA 1.362 63.699 62.300 0.060 0.000 1.065 311 V CB -0.546 31.288 31.823 0.020 0.000 0.681 311 V HN 0.459 nan 8.190 nan 0.000 0.462 312 E N 0.461 120.723 120.200 0.104 0.000 2.051 312 E HA -0.193 4.174 4.350 0.029 0.000 0.192 312 E C 2.379 179.052 176.600 0.122 0.000 0.991 312 E CA 1.310 57.791 56.400 0.134 0.000 0.799 312 E CB -0.323 29.431 29.700 0.089 0.000 0.748 312 E HN 0.581 nan 8.360 nan 0.000 0.449 313 A N 1.106 123.969 122.820 0.071 0.000 1.908 313 A HA -0.223 4.115 4.320 0.029 0.000 0.218 313 A C 2.004 179.619 177.584 0.051 0.000 1.181 313 A CA 1.368 53.439 52.037 0.057 0.000 0.627 313 A CB -0.812 18.213 19.000 0.042 0.000 0.818 313 A HN 0.355 nan 8.150 nan 0.000 0.445 314 F N -0.828 119.065 119.950 -0.095 0.000 2.134 314 F HA -0.084 4.461 4.527 0.029 0.000 0.299 314 F C 1.645 177.292 175.800 -0.256 0.000 1.097 314 F CA 1.573 59.440 58.000 -0.222 0.000 1.264 314 F CB -0.193 38.578 39.000 -0.382 0.000 1.001 314 F HN 0.197 nan 8.300 nan 0.000 0.479 315 F N -0.126 119.829 119.950 0.009 0.000 2.765 315 F HA 0.277 4.822 4.527 0.029 0.000 0.302 315 F C 1.742 177.496 175.800 -0.075 0.000 1.111 315 F CA 0.528 58.478 58.000 -0.082 0.000 1.359 315 F CB 0.151 39.181 39.000 0.051 0.000 1.097 315 F HN 0.112 nan 8.300 nan 0.000 0.577 316 G N 0.725 109.584 108.800 0.099 0.000 2.132 316 G HA2 -0.156 3.822 3.960 0.029 0.000 0.228 316 G HA3 -0.156 3.822 3.960 0.029 0.000 0.228 316 G C 0.430 175.380 174.900 0.083 0.000 1.000 316 G CA -0.208 44.926 45.100 0.056 0.000 0.693 316 G HN 0.581 nan 8.290 nan 0.000 0.515 323 L N 2.243 123.588 121.223 0.204 0.000 2.483 323 L HA 0.142 4.499 4.340 0.029 0.000 0.276 323 L C 0.464 177.434 176.870 0.167 0.000 1.213 323 L CA -0.114 54.797 54.840 0.118 0.000 0.843 323 L CB 0.132 42.212 42.059 0.034 0.000 1.107 323 L HN 0.686 nan 8.230 nan 0.000 0.487 324 D N 1.969 122.405 120.400 0.059 0.000 2.451 324 D HA -0.010 4.648 4.640 0.029 0.000 0.254 324 D C 1.165 177.531 176.300 0.110 0.000 1.204 324 D CA 0.591 54.633 54.000 0.070 0.000 0.896 324 D CB 1.541 42.350 40.800 0.017 0.000 1.136 324 D HN 0.615 nan 8.370 nan 0.000 0.499 325 G N 3.592 112.507 108.800 0.193 0.000 2.422 325 G HA2 -0.257 3.721 3.960 0.029 0.000 0.218 325 G HA3 -0.257 3.721 3.960 0.029 0.000 0.218 325 G C 1.204 176.178 174.900 0.123 0.000 1.140 325 G CA 0.300 45.546 45.100 0.243 0.000 0.775 325 G HN 0.497 nan 8.290 nan 0.000 0.545 326 D N 1.053 121.502 120.400 0.081 0.000 2.149 326 D HA -0.041 4.617 4.640 0.029 0.000 0.198 326 D C 2.747 179.061 176.300 0.024 0.000 0.990 326 D CA 1.226 55.259 54.000 0.055 0.000 0.839 326 D CB -0.333 40.495 40.800 0.047 0.000 0.948 326 D HN 0.326 nan 8.370 nan 0.000 0.460 327 A N 0.324 123.141 122.820 -0.006 0.000 1.897 327 A HA -0.082 4.255 4.320 0.029 0.000 0.215 327 A C 2.481 179.993 177.584 -0.120 0.000 1.181 327 A CA 0.875 52.868 52.037 -0.073 0.000 0.620 327 A CB -0.617 18.318 19.000 -0.107 0.000 0.821 327 A HN 0.132 nan 8.150 nan 0.000 0.443 328 V N 0.187 120.029 119.914 -0.120 0.000 2.343 328 V HA -0.278 3.860 4.120 0.029 0.000 0.247 328 V C 2.660 178.746 176.094 -0.013 0.000 1.051 328 V CA 2.272 64.466 62.300 -0.178 0.000 1.036 328 V CB -0.805 30.859 31.823 -0.266 0.000 0.654 328 V HN 0.516 nan 8.190 nan 0.000 0.451 329 R N -0.103 120.438 120.500 0.068 0.000 2.081 329 R HA -0.111 4.247 4.340 0.029 0.000 0.235 329 R C 2.441 178.799 176.300 0.097 0.000 1.131 329 R CA 1.483 57.662 56.100 0.131 0.000 0.960 329 R CB -0.578 29.793 30.300 0.117 0.000 0.856 329 R HN 0.542 nan 8.270 nan 0.000 0.436 330 A N 0.697 123.535 122.820 0.030 0.000 1.898 330 A HA -0.064 4.273 4.320 0.029 0.000 0.216 330 A C 2.373 179.942 177.584 -0.024 0.000 1.181 330 A CA 1.714 53.758 52.037 0.012 0.000 0.620 330 A CB -1.107 17.888 19.000 -0.007 0.000 0.819 330 A HN 0.463 nan 8.150 nan 0.000 0.442 331 G N -1.002 107.732 108.800 -0.109 0.000 2.459 331 G HA2 -0.189 3.788 3.960 0.029 0.000 0.217 331 G HA3 -0.189 3.788 3.960 0.029 0.000 0.217 331 G C 1.327 176.136 174.900 -0.151 0.000 1.183 331 G CA 1.169 46.151 45.100 -0.195 0.000 0.776 331 G HN 0.377 nan 8.290 nan 0.000 0.552 332 F N 1.832 121.745 119.950 -0.061 0.000 2.171 332 F HA 0.046 4.591 4.527 0.031 0.000 0.300 332 F C 2.983 178.752 175.800 -0.052 0.000 1.090 332 F CA 0.683 58.642 58.000 -0.069 0.000 1.293 332 F CB -0.479 38.472 39.000 -0.082 0.000 1.013 332 F HN 0.250 nan 8.300 nan 0.000 0.486 333 A N -0.580 122.345 122.820 0.176 0.000 2.066 333 A HA 0.174 4.511 4.320 0.029 0.000 0.218 333 A C 2.204 179.854 177.584 0.111 0.000 1.157 333 A CA 1.189 53.330 52.037 0.173 0.000 0.670 333 A CB -0.955 18.172 19.000 0.212 0.000 0.804 333 A HN 0.232 nan 8.150 nan 0.000 0.453 334 A N -0.546 122.310 122.820 0.059 0.000 2.251 334 A HA 0.439 4.777 4.320 0.029 0.000 0.209 334 A C 0.706 178.302 177.584 0.021 0.000 1.187 334 A CA -0.014 52.042 52.037 0.031 0.000 0.823 334 A CB -0.367 18.632 19.000 -0.002 0.000 0.846 334 A HN 0.199 nan 8.150 nan 0.000 0.486 335 V N 2.073 122.005 119.914 0.030 0.000 2.585 335 V HA 0.317 4.454 4.120 0.029 0.000 0.296 335 V C 0.842 176.948 176.094 0.020 0.000 1.035 335 V CA 0.732 63.047 62.300 0.026 0.000 1.084 335 V CB 0.619 32.479 31.823 0.062 0.000 0.953 335 V HN 0.598 nan 8.190 nan 0.000 0.483 336 T N 1.125 115.691 114.554 0.020 0.000 2.908 336 T HA 0.632 5.000 4.350 0.029 0.000 0.290 336 T C -0.330 174.388 174.700 0.030 0.000 1.034 336 T CA -0.714 61.401 62.100 0.025 0.000 1.010 336 T CB 1.904 70.791 68.868 0.030 0.000 1.068 336 T HN 0.535 nan 8.240 nan 0.000 0.481 337 S N 2.615 118.338 115.700 0.038 0.000 2.356 337 S HA 0.472 4.959 4.470 0.029 0.000 0.171 337 S C -2.917 171.722 174.600 0.064 0.000 1.399 337 S CA -0.979 57.251 58.200 0.051 0.000 1.225 337 S CB 0.027 63.258 63.200 0.050 0.000 1.271 337 S HN 0.616 nan 8.310 nan 0.000 0.427 338 P HA 0.242 nan 4.420 nan 0.000 0.265 338 P C 0.975 178.323 177.300 0.080 0.000 1.193 338 P CA 1.155 64.297 63.100 0.070 0.000 0.765 338 P CB 0.425 32.164 31.700 0.065 0.000 0.823 339 G N 1.985 110.837 108.800 0.086 0.000 2.175 339 G HA2 -0.291 3.686 3.960 0.029 0.000 0.265 339 G HA3 -0.291 3.686 3.960 0.029 0.000 0.265 339 G C 0.079 175.041 174.900 0.103 0.000 0.979 339 G CA -0.097 45.059 45.100 0.093 0.000 0.663 339 G HN 0.505 nan 8.290 nan 0.000 0.533 340 R N -0.407 120.159 120.500 0.110 0.000 2.275 340 R HA 0.597 4.955 4.340 0.029 0.000 0.326 340 R C 0.788 177.183 176.300 0.158 0.000 0.973 340 R CA -1.124 55.050 56.100 0.124 0.000 0.854 340 R CB 0.624 30.994 30.300 0.118 0.000 1.156 340 R HN 0.339 nan 8.270 nan 0.000 0.487 341 L N 1.602 122.924 121.223 0.165 0.000 3.965 341 L HA -0.252 4.106 4.340 0.029 0.000 0.476 341 L C -0.230 176.883 176.870 0.405 0.000 1.201 341 L CA 1.173 56.141 54.840 0.213 0.000 0.710 341 L CB -1.139 41.025 42.059 0.175 0.000 1.509 341 L HN 0.750 nan 8.230 nan 0.000 0.815 342 E N 0.768 121.168 120.200 0.334 0.000 2.156 342 E HA 0.276 4.644 4.350 0.029 0.000 0.279 342 E C 0.284 176.997 176.600 0.188 0.000 0.965 342 E CA -0.907 55.643 56.400 0.250 0.000 0.789 342 E CB 0.879 30.653 29.700 0.124 0.000 1.098 342 E HN 0.321 nan 8.360 nan 0.000 0.397 343 R N 5.129 125.658 120.500 0.049 0.000 2.296 343 R HA 0.081 4.438 4.340 0.029 0.000 0.323 343 R C 1.166 177.291 176.300 -0.291 0.000 1.067 343 R CA -0.239 55.636 56.100 -0.374 0.000 0.946 343 R CB 0.456 30.515 30.300 -0.402 0.000 0.991 343 R HN 0.658 nan 8.270 nan 0.000 0.448 344 M N 3.495 122.839 119.600 -0.427 0.000 2.288 344 M HA -0.020 4.477 4.480 0.029 0.000 0.266 344 M C 0.433 176.536 176.300 -0.327 0.000 1.072 344 M CA 1.389 56.393 55.300 -0.493 0.000 1.132 344 M CB -0.606 31.280 32.600 -1.190 0.000 1.386 344 M HN 0.583 nan 8.290 nan 0.000 0.432 345 R N -1.533 118.786 120.500 -0.302 0.000 2.741 345 R HA 0.483 4.841 4.340 0.029 0.000 0.276 345 R C -0.935 175.272 176.300 -0.155 0.000 1.028 345 R CA -0.666 55.347 56.100 -0.146 0.000 0.865 345 R CB 0.570 30.846 30.300 -0.041 0.000 1.268 345 R HN -0.006 nan 8.270 nan 0.000 0.475 346 S N 0.385 116.039 115.700 -0.077 0.000 2.739 346 S HA 0.740 5.227 4.470 0.029 0.000 0.306 346 S C 0.221 174.815 174.600 -0.010 0.000 1.115 346 S CA -0.417 57.751 58.200 -0.054 0.000 0.985 346 S CB 1.635 64.818 63.200 -0.029 0.000 1.133 346 S HN 1.839 nan 8.310 nan 0.000 0.541 347 A N 1.069 123.897 122.820 0.014 0.000 2.136 347 A HA -0.021 4.317 4.320 0.029 0.000 0.274 347 A C -1.682 175.921 177.584 0.030 0.000 1.388 347 A CA 0.193 52.247 52.037 0.028 0.000 0.741 347 A CB -2.386 16.628 19.000 0.023 0.000 1.173 347 A HN 0.740 nan 8.150 nan 0.000 0.329 348 P HA 0.437 nan 4.420 nan 0.000 0.278 348 P C 0.088 177.399 177.300 0.018 0.000 1.258 348 P CA -0.176 62.953 63.100 0.049 0.000 0.811 348 P CB 0.611 32.345 31.700 0.056 0.000 1.063 349 T N 0.694 115.271 114.554 0.039 0.000 2.851 349 T HA 0.282 4.649 4.350 0.029 0.000 0.298 349 T C 0.010 174.619 174.700 -0.151 0.000 0.977 349 T CA 0.013 62.077 62.100 -0.059 0.000 1.126 349 T CB 0.040 68.957 68.868 0.082 0.000 0.916 349 T HN 0.112 nan 8.240 nan 0.000 0.529 350 V N 4.824 124.556 119.914 -0.303 0.000 2.531 350 V HA 0.542 4.679 4.120 0.029 0.000 0.301 350 V C -0.715 175.116 176.094 -0.439 0.000 1.034 350 V CA -0.904 61.218 62.300 -0.296 0.000 0.865 350 V CB 1.372 33.007 31.823 -0.313 0.000 0.995 350 V HN 0.787 nan 8.190 nan 0.000 0.424 351 F N 4.674 124.501 119.950 -0.205 0.000 2.508 351 F HA 0.691 5.234 4.527 0.028 0.000 0.325 351 F C 0.291 176.014 175.800 -0.128 0.000 1.090 351 F CA -0.829 57.076 58.000 -0.158 0.000 0.945 351 F CB 1.918 40.831 39.000 -0.144 0.000 1.156 351 F HN 0.447 nan 8.300 nan 0.000 0.463 352 I N -0.124 120.517 120.570 0.119 0.000 2.412 352 I HA 0.727 4.915 4.170 0.029 0.000 0.296 352 I C -1.570 174.623 176.117 0.127 0.000 0.987 352 I CA -0.460 60.895 61.300 0.092 0.000 1.180 352 I CB 1.940 39.974 38.000 0.057 0.000 1.340 352 I HN 0.514 nan 8.210 nan 0.000 0.455 353 D N 3.820 124.280 120.400 0.100 0.000 2.934 353 D HA 0.579 5.237 4.640 0.029 0.000 0.230 353 D C -0.031 176.316 176.300 0.078 0.000 1.204 353 D CA -0.558 53.494 54.000 0.086 0.000 0.873 353 D CB 2.412 43.246 40.800 0.056 0.000 1.645 353 D HN 0.730 nan 8.370 nan 0.000 0.502 354 A N 2.623 125.491 122.820 0.081 0.000 2.327 354 A HA 0.539 4.876 4.320 0.029 0.000 0.228 354 A C 0.883 178.526 177.584 0.098 0.000 1.275 354 A CA 0.217 52.319 52.037 0.110 0.000 0.875 354 A CB -0.604 18.475 19.000 0.131 0.000 0.925 354 A HN 0.650 nan 8.150 nan 0.000 0.493 355 A N 0.918 123.748 122.820 0.017 0.000 2.537 355 A HA 0.342 4.679 4.320 0.029 0.000 0.260 355 A C 0.538 178.116 177.584 -0.009 0.000 1.082 355 A CA 0.828 52.819 52.037 -0.077 0.000 0.765 355 A CB -0.582 18.369 19.000 -0.082 0.000 1.019 355 A HN 0.960 nan 8.150 nan 0.000 0.507 356 H N 0.443 119.500 119.070 -0.021 0.000 3.007 356 H HA 0.357 4.931 4.556 0.030 0.000 0.251 356 H C -0.311 175.004 175.328 -0.022 0.000 1.188 356 H CA -0.180 55.857 56.048 -0.018 0.000 1.017 356 H CB -0.148 29.606 29.762 -0.013 0.000 1.805 356 H HN 0.633 nan 8.280 nan 0.000 0.659 357 N N -1.015 117.631 118.700 -0.090 0.000 2.732 357 N HA 0.263 5.021 4.740 0.029 0.000 0.259 357 N C -2.580 172.883 175.510 -0.078 0.000 1.402 357 N CA -2.380 50.640 53.050 -0.049 0.000 0.829 357 N CB 1.521 39.974 38.487 -0.057 0.000 1.495 357 N HN -0.178 nan 8.380 nan 0.000 0.511 358 P HA 0.059 nan 4.420 nan 0.000 0.217 358 P C 1.126 178.370 177.300 -0.094 0.000 1.151 358 P CA 2.179 65.236 63.100 -0.072 0.000 0.828 358 P CB 0.010 31.677 31.700 -0.054 0.000 0.788 359 A N 0.058 122.824 122.820 -0.091 0.000 1.902 359 A HA -0.088 4.250 4.320 0.029 0.000 0.217 359 A C 2.476 179.971 177.584 -0.148 0.000 1.181 359 A CA 2.115 54.091 52.037 -0.102 0.000 0.623 359 A CB -1.902 17.049 19.000 -0.082 0.000 0.818 359 A HN 0.271 nan 8.150 nan 0.000 0.443 360 G N -0.600 108.097 108.800 -0.173 0.000 2.404 360 G HA2 0.029 4.006 3.960 0.029 0.000 0.215 360 G HA3 0.029 4.006 3.960 0.029 0.000 0.215 360 G C 1.759 176.531 174.900 -0.214 0.000 1.174 360 G CA 1.399 46.364 45.100 -0.225 0.000 0.780 360 G HN 0.804 nan 8.290 nan 0.000 0.537 361 A N 0.772 123.491 122.820 -0.168 0.000 1.940 361 A HA -0.045 4.292 4.320 0.029 0.000 0.219 361 A C 2.666 180.140 177.584 -0.183 0.000 1.176 361 A CA 2.534 54.477 52.037 -0.158 0.000 0.631 361 A CB -0.685 18.242 19.000 -0.122 0.000 0.814 361 A HN 0.599 nan 8.150 nan 0.000 0.446 362 S N -0.631 114.969 115.700 -0.167 0.000 2.436 362 S HA 0.184 4.671 4.470 0.029 0.000 0.228 362 S C 2.041 176.538 174.600 -0.172 0.000 1.014 362 S CA 1.188 59.292 58.200 -0.159 0.000 0.950 362 S CB -0.352 62.774 63.200 -0.122 0.000 0.784 362 S HN 0.767 nan 8.310 nan 0.000 0.504 363 A N 1.638 124.330 122.820 -0.214 0.000 1.897 363 A HA 0.150 4.488 4.320 0.029 0.000 0.215 363 A C 2.134 179.566 177.584 -0.252 0.000 1.181 363 A CA 1.372 53.242 52.037 -0.277 0.000 0.620 363 A CB -0.913 17.758 19.000 -0.549 0.000 0.821 363 A HN 0.588 nan 8.150 nan 0.000 0.443 364 L N 0.038 121.112 121.223 -0.248 0.000 2.012 364 L HA -0.123 4.235 4.340 0.029 0.000 0.210 364 L C 2.589 179.363 176.870 -0.159 0.000 1.073 364 L CA 2.410 57.151 54.840 -0.165 0.000 0.748 364 L CB -0.748 41.221 42.059 -0.150 0.000 0.891 364 L HN 0.327 nan 8.230 nan 0.000 0.431 365 A N -1.132 121.567 122.820 -0.203 0.000 1.898 365 A HA -0.225 4.113 4.320 0.029 0.000 0.216 365 A C 2.143 179.599 177.584 -0.214 0.000 1.181 365 A CA 1.653 53.560 52.037 -0.216 0.000 0.620 365 A CB -0.573 18.278 19.000 -0.248 0.000 0.819 365 A HN 0.692 nan 8.150 nan 0.000 0.442 366 Q N -0.745 118.908 119.800 -0.245 0.000 2.096 366 Q HA -0.146 4.212 4.340 0.029 0.000 0.204 366 Q C 2.144 177.909 176.000 -0.391 0.000 0.982 366 Q CA 1.931 57.474 55.803 -0.434 0.000 0.850 366 Q CB -0.570 27.989 28.738 -0.298 0.000 0.901 366 Q HN 0.662 nan 8.270 nan 0.000 0.422 367 T N 1.815 116.303 114.554 -0.110 0.000 2.737 367 T HA -0.089 4.279 4.350 0.029 0.000 0.265 367 T C 2.001 176.775 174.700 0.124 0.000 1.038 367 T CA 0.869 62.995 62.100 0.043 0.000 1.144 367 T CB -0.256 68.699 68.868 0.144 0.000 0.866 367 T HN 0.139 nan 8.240 nan 0.000 0.434 368 L N 0.844 122.108 121.223 0.069 0.000 2.042 368 L HA -0.135 4.223 4.340 0.029 0.000 0.210 368 L C 3.003 180.037 176.870 0.273 0.000 1.076 368 L CA 1.428 56.376 54.840 0.179 0.000 0.749 368 L CB -0.624 41.438 42.059 0.004 0.000 0.893 368 L HN 0.250 nan 8.230 nan 0.000 0.432 369 A N -1.170 121.699 122.820 0.082 0.000 1.968 369 A HA -0.176 4.162 4.320 0.029 0.000 0.217 369 A C 1.944 179.661 177.584 0.221 0.000 1.169 369 A CA 1.399 53.503 52.037 0.112 0.000 0.638 369 A CB -0.701 18.303 19.000 0.007 0.000 0.812 369 A HN 0.549 nan 8.150 nan 0.000 0.446 370 H N -1.390 117.723 119.070 0.072 0.000 2.516 370 H HA 0.134 4.705 4.556 0.025 0.000 0.284 370 H C 1.305 176.601 175.328 -0.053 0.000 0.999 370 H CA 0.755 56.811 56.048 0.014 0.000 1.303 370 H CB 0.359 30.123 29.762 0.004 0.000 1.452 370 H HN 0.554 nan 8.280 nan 0.000 0.530 371 E N 0.230 120.428 120.200 -0.003 0.000 2.476 371 E HA 0.117 4.485 4.350 0.029 0.000 0.199 371 E C -0.683 175.465 176.600 -0.752 0.000 1.021 371 E CA 0.038 56.228 56.400 -0.351 0.000 0.907 371 E CB 0.738 30.173 29.700 -0.442 0.000 0.974 371 E HN 0.197 nan 8.360 nan 0.000 0.489 372 F N 0.155 120.116 119.950 0.017 0.000 2.654 372 F HA 0.338 4.880 4.527 0.025 0.000 0.334 372 F C -0.003 175.747 175.800 -0.083 0.000 1.078 372 F CA -1.294 56.657 58.000 -0.080 0.000 0.986 372 F CB 1.176 40.122 39.000 -0.089 0.000 1.362 372 F HN -0.308 nan 8.300 nan 0.000 0.498 373 D N 0.735 121.112 120.400 -0.038 0.000 2.634 373 D HA 0.278 4.936 4.640 0.029 0.000 0.318 373 D C -1.332 174.917 176.300 -0.085 0.000 1.226 373 D CA -0.126 53.861 54.000 -0.022 0.000 0.899 373 D CB -0.286 40.496 40.800 -0.029 0.000 1.025 373 D HN 0.188 nan 8.370 nan 0.000 0.501 374 F N 0.482 120.531 119.950 0.164 0.000 2.427 374 F HA 0.399 4.940 4.527 0.024 0.000 0.352 374 F C 2.035 177.911 175.800 0.127 0.000 1.100 374 F CA -0.368 57.714 58.000 0.138 0.000 1.191 374 F CB 1.255 40.326 39.000 0.118 0.000 1.128 374 F HN 0.258 nan 8.300 nan 0.000 0.533 375 R N 3.281 123.974 120.500 0.322 0.000 2.246 375 R HA 0.183 4.541 4.340 0.029 0.000 0.199 375 R C -0.539 175.964 176.300 0.339 0.000 0.984 375 R CA 0.746 57.002 56.100 0.260 0.000 1.015 375 R CB -0.475 29.941 30.300 0.194 0.000 0.930 375 R HN 0.609 nan 8.270 nan 0.000 0.475 376 F N -0.579 119.484 119.950 0.189 0.000 2.630 376 F HA 0.631 5.171 4.527 0.021 0.000 0.325 376 F C -1.645 174.191 175.800 0.060 0.000 1.184 376 F CA -1.154 56.916 58.000 0.117 0.000 1.011 376 F CB 1.761 40.810 39.000 0.082 0.000 1.268 376 F HN -0.058 nan 8.300 nan 0.000 0.480 377 L N 6.999 127.861 121.223 -0.600 0.000 2.409 377 L HA 0.668 5.026 4.340 0.029 0.000 0.272 377 L C -1.215 175.248 176.870 -0.679 0.000 0.980 377 L CA -1.128 53.413 54.840 -0.498 0.000 0.826 377 L CB 2.151 44.029 42.059 -0.302 0.000 1.268 377 L HN 0.341 nan 8.230 nan 0.000 0.407 378 V N 1.893 121.483 119.914 -0.540 0.000 2.435 378 V HA 0.603 4.741 4.120 0.029 0.000 0.290 378 V C 0.574 176.160 176.094 -0.846 0.000 1.030 378 V CA -0.520 61.465 62.300 -0.526 0.000 0.881 378 V CB 1.669 33.378 31.823 -0.191 0.000 0.983 378 V HN 0.844 nan 8.190 nan 0.000 0.445 379 G N 3.000 111.113 108.800 -1.145 0.000 2.348 379 G HA2 0.570 4.548 3.960 0.029 0.000 0.312 379 G HA3 0.570 4.548 3.960 0.029 0.000 0.312 379 G C -0.994 173.646 174.900 -0.432 0.000 1.126 379 G CA -0.379 43.985 45.100 -1.226 0.000 0.865 379 G HN 0.533 nan 8.290 nan 0.000 0.474 380 V N 2.795 122.563 119.914 -0.243 0.000 2.417 380 V HA 0.517 4.655 4.120 0.029 0.000 0.291 380 V C -0.581 175.489 176.094 -0.040 0.000 1.024 380 V CA -0.684 61.550 62.300 -0.111 0.000 0.861 380 V CB 1.393 33.179 31.823 -0.063 0.000 0.985 380 V HN 0.601 nan 8.190 nan 0.000 0.436 381 L N 4.631 125.839 121.223 -0.026 0.000 2.409 381 L HA 0.788 5.145 4.340 0.029 0.000 0.272 381 L C -0.428 176.440 176.870 -0.004 0.000 0.980 381 L CA 0.391 55.236 54.840 0.008 0.000 0.826 381 L CB 2.141 44.209 42.059 0.015 0.000 1.268 381 L HN 0.664 nan 8.230 nan 0.000 0.407 382 S N 3.330 119.030 115.700 -0.001 0.000 2.548 382 S HA 0.913 5.401 4.470 0.029 0.000 0.276 382 S C -1.500 173.079 174.600 -0.035 0.000 1.129 382 S CA -0.435 57.745 58.200 -0.033 0.000 0.931 382 S CB 1.472 64.644 63.200 -0.047 0.000 1.068 382 S HN 0.380 nan 8.310 nan 0.000 0.480 383 V N 5.028 124.907 119.914 -0.058 0.000 2.823 383 V HA 0.554 4.692 4.120 0.029 0.000 0.312 383 V C -0.334 175.711 176.094 -0.082 0.000 1.072 383 V CA -0.931 61.343 62.300 -0.043 0.000 0.937 383 V CB 1.921 33.736 31.823 -0.015 0.000 1.013 383 V HN 0.845 nan 8.190 nan 0.000 0.430 384 L N 2.014 123.193 121.223 -0.073 0.000 2.418 384 L HA 0.412 4.769 4.340 0.029 0.000 0.265 384 L C 1.712 178.548 176.870 -0.057 0.000 1.143 384 L CA 0.053 54.845 54.840 -0.081 0.000 0.809 384 L CB 0.569 42.577 42.059 -0.086 0.000 1.124 384 L HN 0.874 nan 8.230 nan 0.000 0.456 385 G N 0.289 109.056 108.800 -0.054 0.000 2.598 385 G HA2 -0.178 3.799 3.960 0.029 0.000 0.215 385 G HA3 -0.178 3.799 3.960 0.029 0.000 0.215 385 G C 0.795 175.664 174.900 -0.052 0.000 1.131 385 G CA 0.346 45.418 45.100 -0.046 0.000 0.785 385 G HN 0.872 nan 8.290 nan 0.000 0.539 386 D N -0.345 120.030 120.400 -0.042 0.000 2.325 386 D HA 0.104 4.761 4.640 0.029 0.000 0.225 386 D C 0.482 176.714 176.300 -0.113 0.000 1.096 386 D CA 0.040 53.988 54.000 -0.087 0.000 0.844 386 D CB 0.330 41.153 40.800 0.038 0.000 0.925 386 D HN -0.078 nan 8.370 nan 0.000 0.513 387 K N 0.718 121.084 120.400 -0.057 0.000 2.106 387 K HA 0.203 4.541 4.320 0.029 0.000 0.246 387 K C -0.153 176.422 176.600 -0.041 0.000 0.987 387 K CA -0.907 55.366 56.287 -0.024 0.000 0.904 387 K CB 0.646 33.158 32.500 0.020 0.000 1.071 387 K HN -0.161 nan 8.250 nan 0.000 0.453 388 D N 1.861 122.246 120.400 -0.025 0.000 2.545 388 D HA 0.010 4.667 4.640 0.029 0.000 0.227 388 D C 0.747 177.038 176.300 -0.014 0.000 1.150 388 D CA 0.070 54.055 54.000 -0.026 0.000 1.046 388 D CB -0.090 40.696 40.800 -0.023 0.000 1.098 388 D HN 0.144 nan 8.370 nan 0.000 0.502 389 V N 2.645 122.550 119.914 -0.015 0.000 2.287 389 V HA -0.282 3.856 4.120 0.029 0.000 0.248 389 V C 2.078 178.175 176.094 0.005 0.000 1.053 389 V CA 2.115 64.414 62.300 -0.003 0.000 1.027 389 V CB -0.502 31.317 31.823 -0.006 0.000 0.646 389 V HN 0.483 nan 8.190 nan 0.000 0.447 390 D N 0.330 120.730 120.400 -0.001 0.000 2.097 390 D HA -0.111 4.547 4.640 0.029 0.000 0.195 390 D C 2.179 178.472 176.300 -0.010 0.000 0.989 390 D CA 1.506 55.506 54.000 0.001 0.000 0.827 390 D CB -0.451 40.346 40.800 -0.006 0.000 0.966 390 D HN 0.359 nan 8.370 nan 0.000 0.456 391 G N -0.072 108.716 108.800 -0.019 0.000 2.448 391 G HA2 -0.183 3.795 3.960 0.029 0.000 0.219 391 G HA3 -0.183 3.795 3.960 0.029 0.000 0.219 391 G C 1.717 176.594 174.900 -0.039 0.000 1.127 391 G CA 0.577 45.658 45.100 -0.032 0.000 0.766 391 G HN 0.349 nan 8.290 nan 0.000 0.552 392 I N 0.064 120.619 120.570 -0.025 0.000 2.286 392 I HA -0.057 4.130 4.170 0.029 0.000 0.245 392 I C 2.615 178.721 176.117 -0.020 0.000 1.104 392 I CA 0.601 61.884 61.300 -0.029 0.000 1.397 392 I CB -0.095 37.902 38.000 -0.005 0.000 1.072 392 I HN 0.102 nan 8.210 nan 0.000 0.417 393 L N 0.246 121.484 121.223 0.024 0.000 2.141 393 L HA -0.163 4.195 4.340 0.029 0.000 0.209 393 L C 2.717 179.584 176.870 -0.006 0.000 1.094 393 L CA 1.167 56.067 54.840 0.099 0.000 0.763 393 L CB -0.590 41.562 42.059 0.154 0.000 0.908 393 L HN 0.234 nan 8.230 nan 0.000 0.437 394 A N -0.185 122.600 122.820 -0.058 0.000 1.929 394 A HA -0.071 4.266 4.320 0.029 0.000 0.216 394 A C 2.489 179.983 177.584 -0.151 0.000 1.176 394 A CA 1.384 53.350 52.037 -0.118 0.000 0.628 394 A CB -0.554 18.394 19.000 -0.086 0.000 0.816 394 A HN 0.369 nan 8.150 nan 0.000 0.444 395 A N -0.641 122.100 122.820 -0.132 0.000 2.015 395 A HA 0.097 4.435 4.320 0.029 0.000 0.219 395 A C 1.976 179.424 177.584 -0.228 0.000 1.163 395 A CA 1.347 53.288 52.037 -0.159 0.000 0.646 395 A CB -0.356 18.559 19.000 -0.142 0.000 0.806 395 A HN 0.462 nan 8.150 nan 0.000 0.448 396 L N -1.321 119.748 121.223 -0.256 0.000 2.556 396 L HA 0.057 4.414 4.340 0.029 0.000 0.226 396 L C 2.367 179.001 176.870 -0.392 0.000 1.089 396 L CA 0.453 55.029 54.840 -0.439 0.000 0.864 396 L CB -0.167 41.593 42.059 -0.498 0.000 1.067 396 L HN 0.401 nan 8.230 nan 0.000 0.477 397 E N 1.885 121.853 120.200 -0.388 0.000 2.118 397 E HA -0.185 4.182 4.350 0.029 0.000 0.195 397 E C -0.768 175.598 176.600 -0.390 0.000 0.992 397 E CA 1.316 57.276 56.400 -0.733 0.000 0.804 397 E CB -0.702 28.414 29.700 -0.973 0.000 0.741 397 E HN 0.321 nan 8.360 nan 0.000 0.458 398 P HA -0.038 nan 4.420 nan 0.000 0.237 398 P C 1.321 178.556 177.300 -0.110 0.000 1.178 398 P CA 0.841 63.841 63.100 -0.167 0.000 0.766 398 P CB -0.001 31.618 31.700 -0.135 0.000 0.876 399 V N -6.790 113.040 119.914 -0.140 0.000 3.570 399 V HA 0.296 4.433 4.120 0.029 0.000 0.257 399 V C 0.488 176.675 176.094 0.156 0.000 1.272 399 V CA 0.146 62.416 62.300 -0.050 0.000 1.079 399 V CB -0.751 30.996 31.823 -0.126 0.000 0.829 399 V HN -0.247 nan 8.190 nan 0.000 0.454 400 F N 2.820 122.769 119.950 -0.003 0.000 2.371 400 F HA 0.518 5.060 4.527 0.025 0.000 0.363 400 F C 1.293 177.110 175.800 0.029 0.000 1.122 400 F CA -1.815 56.187 58.000 0.002 0.000 1.129 400 F CB 0.626 39.710 39.000 0.140 0.000 1.173 400 F HN 0.093 nan 8.300 nan 0.000 0.489 401 D N 1.249 121.625 120.400 -0.040 0.000 2.123 401 D HA -0.109 4.548 4.640 0.029 0.000 0.196 401 D C 0.820 177.123 176.300 0.006 0.000 0.992 401 D CA 1.478 55.403 54.000 -0.125 0.000 0.833 401 D CB 0.436 40.901 40.800 -0.559 0.000 0.954 401 D HN 0.479 nan 8.370 nan 0.000 0.455 402 S N -1.055 114.586 115.700 -0.098 0.000 2.685 402 S HA 0.567 5.055 4.470 0.029 0.000 0.282 402 S C -0.895 173.575 174.600 -0.216 0.000 1.159 402 S CA -0.919 57.249 58.200 -0.053 0.000 0.833 402 S CB 2.970 66.166 63.200 -0.006 0.000 1.151 402 S HN -0.055 nan 8.310 nan 0.000 0.485 403 V N 0.788 120.493 119.914 -0.347 0.000 2.841 403 V HA 0.715 4.852 4.120 0.029 0.000 0.310 403 V C -1.498 174.439 176.094 -0.261 0.000 1.090 403 V CA -0.622 61.446 62.300 -0.387 0.000 0.930 403 V CB 1.951 33.389 31.823 -0.642 0.000 1.014 403 V HN 0.935 nan 8.190 nan 0.000 0.425 404 V N 7.033 126.831 119.914 -0.192 0.000 2.347 404 V HA 0.485 4.623 4.120 0.029 0.000 0.280 404 V C 0.059 176.093 176.094 -0.100 0.000 1.021 404 V CA -0.407 61.821 62.300 -0.120 0.000 0.847 404 V CB 1.550 33.321 31.823 -0.085 0.000 0.990 404 V HN 0.850 nan 8.190 nan 0.000 0.444 405 V N 2.487 122.352 119.914 -0.082 0.000 2.617 405 V HA 0.937 5.075 4.120 0.029 0.000 0.298 405 V C -0.126 175.954 176.094 -0.023 0.000 1.048 405 V CA 0.093 62.360 62.300 -0.055 0.000 0.964 405 V CB 1.621 33.414 31.823 -0.050 0.000 1.004 405 V HN 0.855 nan 8.190 nan 0.000 0.466 406 T N 0.709 115.259 114.554 -0.006 0.000 2.645 406 T HA 0.388 4.756 4.350 0.029 0.000 0.300 406 T C -1.734 172.997 174.700 0.052 0.000 1.210 406 T CA -0.445 61.672 62.100 0.027 0.000 1.034 406 T CB 1.533 70.416 68.868 0.025 0.000 1.537 406 T HN 1.121 nan 8.240 nan 0.000 0.492 407 H N 2.217 121.282 119.070 -0.009 0.000 2.505 407 H HA 0.407 4.981 4.556 0.029 0.000 0.338 407 H C 0.358 175.685 175.328 -0.002 0.000 1.057 407 H CA -0.477 55.568 56.048 -0.006 0.000 1.202 407 H CB 1.430 31.188 29.762 -0.007 0.000 1.466 407 H HN 0.671 nan 8.280 nan 0.000 0.499 408 N N 2.932 121.667 118.700 0.058 0.000 2.398 408 N HA 0.051 4.809 4.740 0.029 0.000 0.188 408 N C 1.296 176.905 175.510 0.164 0.000 1.122 408 N CA 0.614 53.714 53.050 0.084 0.000 0.866 408 N CB 0.255 38.740 38.487 -0.005 0.000 0.970 408 N HN 0.849 nan 8.380 nan 0.000 0.462 409 G N -0.800 108.244 108.800 0.406 0.000 2.205 409 G HA2 -0.314 3.664 3.960 0.029 0.000 0.261 409 G HA3 -0.314 3.664 3.960 0.029 0.000 0.261 409 G C 0.076 175.110 174.900 0.223 0.000 0.980 409 G CA 0.441 45.695 45.100 0.257 0.000 0.632 409 G HN 0.776 nan 8.290 nan 0.000 0.533 410 S N 1.543 117.342 115.700 0.166 0.000 2.564 410 S HA 0.508 4.996 4.470 0.029 0.000 0.278 410 S C 0.011 174.699 174.600 0.147 0.000 1.333 410 S CA -0.284 57.971 58.200 0.091 0.000 1.048 410 S CB 1.453 64.649 63.200 -0.006 0.000 0.900 410 S HN 0.170 nan 8.310 nan 0.000 0.505 411 P HA -0.031 nan 4.420 nan 0.000 0.230 411 P C 0.564 177.895 177.300 0.052 0.000 1.158 411 P CA 0.818 63.969 63.100 0.084 0.000 0.769 411 P CB 0.077 31.803 31.700 0.043 0.000 0.807 412 R N -0.627 119.880 120.500 0.011 0.000 2.334 412 R HA 0.335 4.693 4.340 0.029 0.000 0.216 412 R C 0.875 177.139 176.300 -0.061 0.000 0.905 412 R CA -0.266 55.822 56.100 -0.019 0.000 1.064 412 R CB 0.240 30.521 30.300 -0.032 0.000 1.046 412 R HN 0.101 nan 8.270 nan 0.000 0.508 413 A N 1.243 123.994 122.820 -0.115 0.000 2.407 413 A HA 0.142 4.480 4.320 0.029 0.000 0.248 413 A C -0.181 177.281 177.584 -0.204 0.000 1.082 413 A CA -0.444 51.431 52.037 -0.271 0.000 0.785 413 A CB 0.243 18.835 19.000 -0.680 0.000 1.020 413 A HN 0.142 nan 8.150 nan 0.000 0.489 414 L N 2.583 123.703 121.223 -0.173 0.000 2.453 414 L HA 0.152 4.510 4.340 0.029 0.000 0.272 414 L C 0.206 177.033 176.870 -0.072 0.000 1.182 414 L CA 0.027 54.812 54.840 -0.092 0.000 0.858 414 L CB 0.240 42.257 42.059 -0.069 0.000 1.120 414 L HN 0.779 nan 8.230 nan 0.000 0.474 415 D N 3.545 123.958 120.400 0.022 0.000 2.399 415 D HA -0.002 4.656 4.640 0.029 0.000 0.241 415 D C 1.286 177.622 176.300 0.060 0.000 1.133 415 D CA -0.351 53.709 54.000 0.100 0.000 0.890 415 D CB 0.794 41.643 40.800 0.081 0.000 1.201 415 D HN 0.319 nan 8.370 nan 0.000 0.432 416 V N 2.115 122.080 119.914 0.084 0.000 2.255 416 V HA -0.341 3.797 4.120 0.029 0.000 0.247 416 V C 2.244 178.352 176.094 0.023 0.000 1.051 416 V CA 2.354 64.683 62.300 0.047 0.000 1.018 416 V CB -0.966 30.886 31.823 0.049 0.000 0.641 416 V HN 0.558 nan 8.190 nan 0.000 0.445 417 E N 1.346 121.560 120.200 0.023 0.000 2.070 417 E HA -0.208 4.160 4.350 0.029 0.000 0.197 417 E C 2.239 178.846 176.600 0.011 0.000 1.004 417 E CA 1.635 58.043 56.400 0.014 0.000 0.805 417 E CB -0.765 28.944 29.700 0.013 0.000 0.744 417 E HN 0.584 nan 8.360 nan 0.000 0.451 418 A N 0.744 123.571 122.820 0.012 0.000 1.940 418 A HA -0.148 4.189 4.320 0.029 0.000 0.219 418 A C 2.160 179.747 177.584 0.004 0.000 1.176 418 A CA 1.323 53.364 52.037 0.007 0.000 0.631 418 A CB -0.531 18.471 19.000 0.004 0.000 0.814 418 A HN 0.247 nan 8.150 nan 0.000 0.446 419 L N -0.542 120.682 121.223 0.001 0.000 2.109 419 L HA 0.102 4.460 4.340 0.029 0.000 0.207 419 L C 2.646 179.515 176.870 -0.001 0.000 1.086 419 L CA 1.912 56.751 54.840 -0.002 0.000 0.760 419 L CB -0.902 41.150 42.059 -0.013 0.000 0.910 419 L HN 0.321 nan 8.230 nan 0.000 0.437 420 A N -0.707 122.111 122.820 -0.003 0.000 1.933 420 A HA -0.196 4.141 4.320 0.029 0.000 0.218 420 A C 2.224 179.815 177.584 0.010 0.000 1.175 420 A CA 1.913 53.947 52.037 -0.005 0.000 0.628 420 A CB -0.887 18.110 19.000 -0.005 0.000 0.814 420 A HN 0.444 nan 8.150 nan 0.000 0.444 421 L N -0.338 120.893 121.223 0.014 0.000 2.005 421 L HA -0.027 4.330 4.340 0.029 0.000 0.207 421 L C 2.786 179.674 176.870 0.029 0.000 1.072 421 L CA 2.115 56.967 54.840 0.020 0.000 0.744 421 L CB -0.912 41.156 42.059 0.014 0.000 0.895 421 L HN 0.352 nan 8.230 nan 0.000 0.433 422 A N -0.444 122.392 122.820 0.026 0.000 1.873 422 A HA -0.221 4.116 4.320 0.029 0.000 0.218 422 A C 2.448 180.073 177.584 0.069 0.000 1.193 422 A CA 2.285 54.344 52.037 0.036 0.000 0.629 422 A CB -1.355 17.661 19.000 0.026 0.000 0.826 422 A HN 0.568 nan 8.150 nan 0.000 0.447 423 A N -0.742 122.120 122.820 0.071 0.000 1.940 423 A HA 0.089 4.427 4.320 0.029 0.000 0.219 423 A C 2.394 180.084 177.584 0.176 0.000 1.176 423 A CA 2.031 54.143 52.037 0.125 0.000 0.631 423 A CB -1.345 17.653 19.000 -0.003 0.000 0.814 423 A HN 0.799 nan 8.150 nan 0.000 0.446 424 G N -1.177 107.682 108.800 0.098 0.000 2.408 424 G HA2 0.032 4.009 3.960 0.029 0.000 0.217 424 G HA3 0.032 4.009 3.960 0.029 0.000 0.217 424 G C 1.429 176.387 174.900 0.097 0.000 1.150 424 G CA 1.526 46.684 45.100 0.096 0.000 0.776 424 G HN 0.720 nan 8.290 nan 0.000 0.542 425 E N 0.315 120.561 120.200 0.076 0.000 2.338 425 E HA 0.022 4.389 4.350 0.029 0.000 0.197 425 E C 2.393 179.021 176.600 0.046 0.000 1.007 425 E CA 1.052 57.482 56.400 0.050 0.000 0.849 425 E CB -0.233 29.487 29.700 0.034 0.000 0.774 425 E HN 0.306 nan 8.360 nan 0.000 0.506 426 R N -2.155 118.394 120.500 0.083 0.000 2.144 426 R HA 0.287 4.645 4.340 0.029 0.000 0.195 426 R C 1.788 178.078 176.300 -0.017 0.000 1.077 426 R CA 0.552 56.669 56.100 0.029 0.000 1.120 426 R CB -0.296 30.054 30.300 0.083 0.000 1.060 426 R HN 0.478 nan 8.270 nan 0.000 0.520 427 F N 0.424 120.375 119.950 0.001 0.000 2.569 427 F HA 0.290 4.834 4.527 0.029 0.000 0.295 427 F C 1.016 176.822 175.800 0.010 0.000 1.115 427 F CA 0.896 58.901 58.000 0.008 0.000 1.450 427 F CB 0.171 39.182 39.000 0.019 0.000 1.107 427 F HN 0.211 nan 8.300 nan 0.000 0.563 428 G N 0.828 109.728 108.800 0.166 0.000 2.777 428 G HA2 -0.150 3.828 3.960 0.029 0.000 0.686 428 G HA3 -0.150 3.828 3.960 0.029 0.000 0.686 428 G C -1.828 173.142 174.900 0.117 0.000 1.177 428 G CA -0.554 44.612 45.100 0.110 0.000 0.775 428 G HN 0.021 nan 8.290 nan 0.000 0.613 429 P HA -0.105 nan 4.420 nan 0.000 0.216 429 P C 0.914 178.245 177.300 0.052 0.000 1.150 429 P CA 1.780 64.913 63.100 0.056 0.000 0.843 429 P CB 0.081 31.805 31.700 0.039 0.000 0.787 430 D N -0.484 119.951 120.400 0.059 0.000 2.363 430 D HA -0.031 4.626 4.640 0.029 0.000 0.226 430 D C 1.464 177.803 176.300 0.065 0.000 1.020 430 D CA 0.503 54.536 54.000 0.054 0.000 0.892 430 D CB -0.012 40.820 40.800 0.053 0.000 0.900 430 D HN 0.338 nan 8.370 nan 0.000 0.531 431 R N 0.235 120.788 120.500 0.089 0.000 2.468 431 R HA 0.190 4.548 4.340 0.029 0.000 0.280 431 R C -0.199 176.090 176.300 -0.019 0.000 0.963 431 R CA -0.061 56.095 56.100 0.093 0.000 1.083 431 R CB 1.291 31.728 30.300 0.229 0.000 1.200 431 R HN -0.104 nan 8.270 nan 0.000 0.541 432 V N 1.660 121.557 119.914 -0.028 0.000 2.448 432 V HA 0.424 4.562 4.120 0.029 0.000 0.295 432 V C 0.082 176.143 176.094 -0.056 0.000 1.025 432 V CA -0.802 61.441 62.300 -0.094 0.000 0.859 432 V CB 1.862 33.645 31.823 -0.067 0.000 0.988 432 V HN 0.165 nan 8.190 nan 0.000 0.431 433 R N 1.980 122.437 120.500 -0.072 0.000 2.892 433 R HA 0.806 5.164 4.340 0.029 0.000 0.265 433 R C -0.420 175.853 176.300 -0.046 0.000 1.025 433 R CA -0.642 55.432 56.100 -0.043 0.000 0.982 433 R CB 2.460 32.740 30.300 -0.034 0.000 1.185 433 R HN 0.824 nan 8.270 nan 0.000 0.484 434 T N -2.180 112.357 114.554 -0.028 0.000 2.930 434 T HA 0.857 5.224 4.350 0.029 0.000 0.290 434 T C -0.749 173.943 174.700 -0.015 0.000 1.052 434 T CA -0.811 61.277 62.100 -0.021 0.000 1.017 434 T CB 2.169 71.030 68.868 -0.011 0.000 1.137 434 T HN 0.692 nan 8.240 nan 0.000 0.511 435 A N -0.060 122.756 122.820 -0.007 0.000 2.572 435 A HA 0.832 5.170 4.320 0.029 0.000 0.295 435 A C 0.768 178.355 177.584 0.006 0.000 1.072 435 A CA -0.033 52.002 52.037 -0.004 0.000 0.691 435 A CB 0.476 19.471 19.000 -0.008 0.000 1.291 435 A HN 1.244 nan 8.150 nan 0.000 0.404 436 E N 0.548 120.748 120.200 0.001 0.000 2.204 436 E HA 0.098 4.466 4.350 0.029 0.000 0.194 436 E C 0.379 176.985 176.600 0.010 0.000 0.989 436 E CA 1.796 58.197 56.400 0.000 0.000 0.824 436 E CB -0.669 29.022 29.700 -0.014 0.000 0.756 436 E HN 1.148 nan 8.360 nan 0.000 0.477 437 N N -3.579 115.128 118.700 0.012 0.000 3.020 437 N HA 0.334 5.092 4.740 0.029 0.000 0.248 437 N C 0.116 175.638 175.510 0.020 0.000 1.480 437 N CA -0.388 52.677 53.050 0.024 0.000 0.874 437 N CB 0.595 39.085 38.487 0.005 0.000 1.433 437 N HN -0.030 nan 8.380 nan 0.000 0.530 438 L N 0.113 121.353 121.223 0.029 0.000 2.042 438 L HA 0.087 4.445 4.340 0.029 0.000 0.210 438 L C 2.336 179.208 176.870 0.004 0.000 1.076 438 L CA 1.802 56.656 54.840 0.024 0.000 0.749 438 L CB -0.602 41.478 42.059 0.036 0.000 0.893 438 L HN 0.798 nan 8.230 nan 0.000 0.432 439 R N -0.799 119.694 120.500 -0.013 0.000 2.075 439 R HA -0.143 4.215 4.340 0.029 0.000 0.232 439 R C 1.860 178.142 176.300 -0.030 0.000 1.126 439 R CA 1.586 57.664 56.100 -0.037 0.000 0.963 439 R CB -0.243 30.026 30.300 -0.052 0.000 0.858 439 R HN 0.382 nan 8.270 nan 0.000 0.435 440 D N 0.575 120.963 120.400 -0.021 0.000 2.104 440 D HA -0.168 4.490 4.640 0.029 0.000 0.194 440 D C 1.731 178.023 176.300 -0.014 0.000 0.994 440 D CA 1.665 55.654 54.000 -0.018 0.000 0.830 440 D CB -0.346 40.446 40.800 -0.014 0.000 0.959 440 D HN 0.366 nan 8.370 nan 0.000 0.452 441 A N 0.576 123.391 122.820 -0.009 0.000 1.933 441 A HA -0.147 4.191 4.320 0.029 0.000 0.218 441 A C 2.367 179.944 177.584 -0.012 0.000 1.175 441 A CA 1.009 53.039 52.037 -0.012 0.000 0.628 441 A CB -0.744 18.251 19.000 -0.008 0.000 0.814 441 A HN 0.236 nan 8.150 nan 0.000 0.444 442 I N -0.217 120.351 120.570 -0.003 0.000 2.394 442 I HA -0.203 3.984 4.170 0.029 0.000 0.251 442 I C 1.703 177.821 176.117 0.001 0.000 1.136 442 I CA 1.194 62.500 61.300 0.010 0.000 1.425 442 I CB -0.397 37.622 38.000 0.031 0.000 1.079 442 I HN 0.211 nan 8.210 nan 0.000 0.425 443 D N 0.597 120.989 120.400 -0.013 0.000 2.084 443 D HA -0.125 4.533 4.640 0.029 0.000 0.196 443 D C 2.413 178.708 176.300 -0.008 0.000 0.985 443 D CA 1.107 55.098 54.000 -0.014 0.000 0.826 443 D CB -0.433 40.354 40.800 -0.021 0.000 0.978 443 D HN 0.054 nan 8.370 nan 0.000 0.456 444 V N 1.400 121.307 119.914 -0.010 0.000 2.282 444 V HA -0.296 3.841 4.120 0.029 0.000 0.249 444 V C 2.470 178.563 176.094 -0.003 0.000 1.057 444 V CA 2.074 64.369 62.300 -0.009 0.000 1.032 444 V CB -0.902 30.913 31.823 -0.014 0.000 0.645 444 V HN 0.225 nan 8.190 nan 0.000 0.447 445 A N -0.938 121.877 122.820 -0.008 0.000 1.933 445 A HA -0.224 4.114 4.320 0.029 0.000 0.218 445 A C 2.385 179.983 177.584 0.023 0.000 1.175 445 A CA 2.415 54.450 52.037 -0.003 0.000 0.628 445 A CB -0.928 18.050 19.000 -0.037 0.000 0.814 445 A HN 0.497 nan 8.150 nan 0.000 0.444 446 T N 0.522 115.087 114.554 0.017 0.000 2.746 446 T HA -0.143 4.225 4.350 0.029 0.000 0.267 446 T C 2.298 177.006 174.700 0.013 0.000 1.039 446 T CA 2.081 64.195 62.100 0.023 0.000 1.142 446 T CB -0.345 68.534 68.868 0.019 0.000 0.866 446 T HN 0.792 nan 8.240 nan 0.000 0.444 447 S N 1.109 116.812 115.700 0.004 0.000 2.461 447 S HA 0.137 4.624 4.470 0.029 0.000 0.228 447 S C 2.065 176.656 174.600 -0.015 0.000 1.005 447 S CA 0.299 58.495 58.200 -0.008 0.000 0.942 447 S CB -0.593 62.602 63.200 -0.010 0.000 0.776 447 S HN 0.387 nan 8.310 nan 0.000 0.514 448 L N 1.854 123.083 121.223 0.010 0.000 2.046 448 L HA -0.090 4.267 4.340 0.029 0.000 0.208 448 L C 2.803 179.644 176.870 -0.050 0.000 1.077 448 L CA 1.538 56.394 54.840 0.026 0.000 0.747 448 L CB -0.848 41.287 42.059 0.126 0.000 0.896 448 L HN 0.402 nan 8.230 nan 0.000 0.432 449 V N -3.744 116.186 119.914 0.026 0.000 2.515 449 V HA -0.185 3.953 4.120 0.029 0.000 0.250 449 V C 1.917 177.957 176.094 -0.091 0.000 1.058 449 V CA 1.555 63.845 62.300 -0.017 0.000 1.064 449 V CB -0.653 31.229 31.823 0.097 0.000 0.675 449 V HN 0.287 nan 8.190 nan 0.000 0.461 450 D N 1.209 121.574 120.400 -0.058 0.000 2.078 450 D HA -0.158 4.499 4.640 0.029 0.000 0.193 450 D C 1.979 178.222 176.300 -0.094 0.000 0.990 450 D CA 1.912 55.877 54.000 -0.059 0.000 0.827 450 D CB -0.488 40.291 40.800 -0.035 0.000 0.975 450 D HN 0.444 nan 8.370 nan 0.000 0.451 451 D N 0.293 120.628 120.400 -0.109 0.000 2.133 451 D HA -0.152 4.506 4.640 0.029 0.000 0.195 451 D C 1.915 178.092 176.300 -0.204 0.000 0.997 451 D CA 1.507 55.431 54.000 -0.127 0.000 0.840 451 D CB -0.362 40.374 40.800 -0.107 0.000 0.947 451 D HN 0.196 nan 8.370 nan 0.000 0.452 452 A N 0.832 123.430 122.820 -0.370 0.000 1.929 452 A HA 0.077 4.414 4.320 0.029 0.000 0.216 452 A C 2.305 179.721 177.584 -0.280 0.000 1.176 452 A CA 1.801 53.522 52.037 -0.526 0.000 0.628 452 A CB -0.609 17.578 19.000 -1.354 0.000 0.816 452 A HN 0.221 nan 8.150 nan 0.000 0.444 453 A N -0.253 122.452 122.820 -0.191 0.000 1.978 453 A HA 0.171 4.509 4.320 0.029 0.000 0.220 453 A C 2.072 179.616 177.584 -0.066 0.000 1.170 453 A CA 1.814 53.800 52.037 -0.085 0.000 0.636 453 A CB -0.624 18.348 19.000 -0.047 0.000 0.810 453 A HN 1.123 nan 8.150 nan 0.000 0.448 454 A N -1.154 121.618 122.820 -0.080 0.000 2.415 454 A HA 0.329 4.666 4.320 0.029 0.000 0.248 454 A C 0.231 177.784 177.584 -0.053 0.000 1.299 454 A CA 0.326 52.331 52.037 -0.054 0.000 0.899 454 A CB -0.089 18.881 19.000 -0.050 0.000 0.997 454 A HN 0.272 nan 8.150 nan 0.000 0.506 455 D N -0.292 120.069 120.400 -0.066 0.000 2.446 455 D HA 0.364 5.021 4.640 0.029 0.000 0.251 455 D C -2.088 174.194 176.300 -0.030 0.000 1.137 455 D CA -1.923 52.045 54.000 -0.053 0.000 0.890 455 D CB 1.611 42.362 40.800 -0.081 0.000 1.071 455 D HN -0.065 nan 8.370 nan 0.000 0.528 456 P HA -0.106 nan 4.420 nan 0.000 0.216 456 P C 0.405 177.711 177.300 0.009 0.000 1.150 456 P CA 1.019 64.118 63.100 -0.001 0.000 0.843 456 P CB 0.172 31.872 31.700 0.000 0.000 0.787 457 D N -1.280 119.127 120.400 0.011 0.000 2.538 457 D HA 0.100 4.757 4.640 0.029 0.000 0.234 457 D C 0.213 176.535 176.300 0.038 0.000 1.191 457 D CA -0.266 53.749 54.000 0.024 0.000 0.828 457 D CB -0.457 40.357 40.800 0.024 0.000 0.981 457 D HN -0.002 nan 8.370 nan 0.000 0.490 466 T N -2.452 112.316 114.554 0.357 0.000 2.932 466 T HA 0.917 5.285 4.350 0.029 0.000 0.289 466 T C 0.328 175.255 174.700 0.379 0.000 1.039 466 T CA -0.595 61.750 62.100 0.409 0.000 1.024 466 T CB 2.612 71.637 68.868 0.262 0.000 1.090 466 T HN 0.180 nan 8.240 nan 0.000 0.496 467 G N 0.283 109.163 108.800 0.132 0.000 2.623 467 G HA2 0.633 4.611 3.960 0.029 0.000 0.290 467 G HA3 0.633 4.611 3.960 0.029 0.000 0.290 467 G C -1.811 172.983 174.900 -0.177 0.000 1.437 467 G CA -1.012 44.028 45.100 -0.100 0.000 0.798 467 G HN 0.907 nan 8.290 nan 0.000 0.488 468 I N 0.117 120.587 120.570 -0.165 0.000 2.509 468 I HA 0.537 4.724 4.170 0.029 0.000 0.293 468 I C -0.695 175.321 176.117 -0.169 0.000 1.020 468 I CA -1.151 60.040 61.300 -0.182 0.000 1.088 468 I CB 2.446 40.397 38.000 -0.081 0.000 1.267 468 I HN 0.164 nan 8.210 nan 0.000 0.430 469 V N 6.844 126.606 119.914 -0.254 0.000 2.483 469 V HA 0.459 4.597 4.120 0.029 0.000 0.297 469 V C -0.210 175.829 176.094 -0.091 0.000 1.027 469 V CA -0.443 61.792 62.300 -0.109 0.000 0.855 469 V CB 1.910 33.705 31.823 -0.047 0.000 0.995 469 V HN 0.464 nan 8.190 nan 0.000 0.424 470 I N 4.378 124.952 120.570 0.007 0.000 2.312 470 I HA 0.668 4.856 4.170 0.029 0.000 0.290 470 I C 0.228 176.387 176.117 0.070 0.000 1.008 470 I CA 0.206 61.525 61.300 0.031 0.000 1.226 470 I CB 1.661 39.697 38.000 0.059 0.000 1.371 470 I HN 0.707 nan 8.210 nan 0.000 0.468 471 T N 2.870 117.472 114.554 0.080 0.000 2.665 471 T HA 0.682 5.050 4.350 0.029 0.000 0.303 471 T C 0.285 175.032 174.700 0.078 0.000 1.334 471 T CA 0.305 62.459 62.100 0.091 0.000 1.011 471 T CB 1.694 70.632 68.868 0.118 0.000 1.573 471 T HN 0.862 nan 8.240 nan 0.000 0.492 472 G N 0.586 109.433 108.800 0.079 0.000 2.380 472 G HA2 0.122 4.100 3.960 0.029 0.000 0.197 472 G HA3 0.122 4.100 3.960 0.029 0.000 0.197 472 G C 0.148 175.101 174.900 0.088 0.000 1.001 472 G CA 0.726 45.869 45.100 0.070 0.000 0.668 472 G HN 1.511 nan 8.290 nan 0.000 0.483 473 S N -1.752 114.000 115.700 0.086 0.000 2.565 473 S HA 0.500 4.988 4.470 0.029 0.000 0.274 473 S C 1.072 175.712 174.600 0.067 0.000 1.144 473 S CA 0.450 58.682 58.200 0.054 0.000 0.849 473 S CB 1.346 64.536 63.200 -0.016 0.000 1.103 473 S HN 0.849 nan 8.310 nan 0.000 0.455 474 V N 3.176 123.113 119.914 0.038 0.000 2.407 474 V HA -0.108 4.030 4.120 0.029 0.000 0.248 474 V C 2.229 178.325 176.094 0.003 0.000 1.055 474 V CA 2.313 64.632 62.300 0.032 0.000 1.049 474 V CB -0.528 31.276 31.823 -0.031 0.000 0.662 474 V HN 0.733 nan 8.190 nan 0.000 0.455 475 V N -0.135 119.760 119.914 -0.032 0.000 2.453 475 V HA -0.213 3.925 4.120 0.029 0.000 0.247 475 V C 2.507 178.611 176.094 0.016 0.000 1.048 475 V CA 2.374 64.662 62.300 -0.019 0.000 1.049 475 V CB -0.959 30.838 31.823 -0.042 0.000 0.672 475 V HN 0.633 nan 8.190 nan 0.000 0.457 476 T N 0.688 115.253 114.554 0.018 0.000 2.737 476 T HA -0.123 4.245 4.350 0.029 0.000 0.265 476 T C 2.110 176.847 174.700 0.061 0.000 1.038 476 T CA 1.579 63.702 62.100 0.038 0.000 1.144 476 T CB -0.422 68.466 68.868 0.034 0.000 0.866 476 T HN 0.548 nan 8.240 nan 0.000 0.434 477 A N 1.551 124.411 122.820 0.067 0.000 1.898 477 A HA 0.164 4.501 4.320 0.029 0.000 0.216 477 A C 2.657 180.293 177.584 0.086 0.000 1.181 477 A CA 1.754 53.840 52.037 0.081 0.000 0.620 477 A CB -1.403 17.647 19.000 0.083 0.000 0.819 477 A HN 0.506 nan 8.150 nan 0.000 0.442 478 G N -0.503 108.342 108.800 0.075 0.000 2.418 478 G HA2 0.005 3.983 3.960 0.029 0.000 0.217 478 G HA3 0.005 3.983 3.960 0.029 0.000 0.217 478 G C 1.709 176.661 174.900 0.086 0.000 1.158 478 G CA 1.405 46.555 45.100 0.083 0.000 0.771 478 G HN 0.794 nan 8.290 nan 0.000 0.545 479 A N 0.933 123.798 122.820 0.076 0.000 1.969 479 A HA 0.375 4.712 4.320 0.029 0.000 0.218 479 A C 2.730 180.368 177.584 0.090 0.000 1.169 479 A CA 2.004 54.084 52.037 0.072 0.000 0.635 479 A CB -0.545 18.491 19.000 0.059 0.000 0.810 479 A HN 0.713 nan 8.150 nan 0.000 0.445 480 A N -0.496 122.396 122.820 0.119 0.000 1.968 480 A HA -0.045 4.293 4.320 0.029 0.000 0.217 480 A C 2.180 179.935 177.584 0.285 0.000 1.169 480 A CA 1.372 53.527 52.037 0.196 0.000 0.638 480 A CB -0.404 18.724 19.000 0.214 0.000 0.812 480 A HN 0.525 nan 8.150 nan 0.000 0.446 481 R N -0.701 119.916 120.500 0.195 0.000 2.092 481 R HA -0.096 4.262 4.340 0.029 0.000 0.231 481 R C 1.993 178.396 176.300 0.171 0.000 1.119 481 R CA 1.878 58.090 56.100 0.188 0.000 0.970 481 R CB -0.433 29.937 30.300 0.116 0.000 0.864 481 R HN 0.445 nan 8.270 nan 0.000 0.440 482 T N 1.305 115.929 114.554 0.117 0.000 2.777 482 T HA -0.072 4.296 4.350 0.029 0.000 0.266 482 T C 1.709 176.437 174.700 0.046 0.000 1.040 482 T CA 1.208 63.351 62.100 0.072 0.000 1.141 482 T CB -0.068 68.830 68.868 0.050 0.000 0.868 482 T HN 0.174 nan 8.240 nan 0.000 0.444 483 L N -0.253 120.986 121.223 0.028 0.000 2.083 483 L HA -0.021 4.336 4.340 0.029 0.000 0.209 483 L C 1.826 178.570 176.870 -0.209 0.000 1.083 483 L CA 1.297 56.078 54.840 -0.099 0.000 0.752 483 L CB -0.609 41.355 42.059 -0.158 0.000 0.899 483 L HN 0.241 nan 8.230 nan 0.000 0.433 484 F N 0.226 120.179 119.950 0.005 0.000 2.816 484 F HA 0.125 4.670 4.527 0.030 0.000 0.302 484 F C 1.784 177.586 175.800 0.004 0.000 1.178 484 F CA 0.683 58.684 58.000 0.002 0.000 1.421 484 F CB -0.494 38.506 39.000 0.001 0.000 1.114 484 F HN 0.203 nan 8.300 nan 0.000 0.573 485 G N 0.353 109.210 108.800 0.095 0.000 2.153 485 G HA2 -0.292 3.686 3.960 0.029 0.000 0.252 485 G HA3 -0.292 3.686 3.960 0.029 0.000 0.252 485 G C 0.399 175.342 174.900 0.071 0.000 0.994 485 G CA -0.442 44.695 45.100 0.061 0.000 0.698 485 G HN 0.182 nan 8.290 nan 0.000 0.521 486 R N 0.787 121.343 120.500 0.094 0.000 2.539 486 R HA 0.346 4.704 4.340 0.029 0.000 0.275 486 R C -0.164 176.167 176.300 0.052 0.000 1.077 486 R CA -0.509 55.635 56.100 0.073 0.000 1.097 486 R CB 0.464 30.812 30.300 0.080 0.000 1.018 486 R HN 0.232 nan 8.270 nan 0.000 0.483 487 D N 3.116 123.540 120.400 0.039 0.000 2.345 487 D HA 0.203 4.861 4.640 0.029 0.000 0.247 487 D C -2.026 174.292 176.300 0.029 0.000 1.108 487 D CA -1.503 52.513 54.000 0.027 0.000 0.894 487 D CB 0.494 41.307 40.800 0.021 0.000 1.203 487 D HN 0.096 nan 8.370 nan 0.000 0.430 488 P HA -0.008 nan 4.420 nan 0.000 0.266 488 P C -0.409 176.906 177.300 0.024 0.000 1.186 488 P CA 0.366 63.479 63.100 0.021 0.000 0.767 488 P CB 0.637 32.334 31.700 -0.005 0.000 0.820 489 Q N 0.000 119.821 119.800 0.035 0.000 2.315 489 Q HA 0.000 4.358 4.340 0.029 0.000 0.214 489 Q CA 0.000 55.824 55.803 0.035 0.000 1.022 489 Q CB 0.000 28.761 28.738 0.039 0.000 1.108 489 Q HN 0.000 nan 8.270 nan 0.000 0.481