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 1zee_1_A DATA FIRST_RESID 6 DATA SEQUENCE YNTEAFDEWI RSRFVELNSQ LEQLYYQQTD RANVQEVGTE LKHTLESEGR DATA SEQUENCE ELVKALLDEG NTDEGFDSAF DLLGNVGLYX AACRRHEITE PTRETTSPLL DATA SEQUENCE EASALAXHIG ASIGVTPRFA TAHLTTHNRA HNGIYKRFTD LPDEKLFVDY DATA SEQUENCE NTKGILAYKR ASDALLKIQP LGISHPISHD LLRVTKQALQ DVIESNQQLF DATA SEQUENCE NRLDTDRFFY CVRPYYKPYR VGSVVYRGAN AGDFAGINVI DLTLGLCFAN DATA SEQUENCE EASYSQXLVD KFLYXXPEDQ QILRECXRRP NLXDDFLQAK GCIHQDWYQE DATA SEQUENCE NLKLFIEVCE LHGQTAIQHH NELVTKYXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XVLLASLERL RDRRAAVLRD DIRTRYYDLK KLKDSLR 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 6 Y HA 0.000 nan 4.550 nan 0.000 0.201 6 Y C 0.000 175.904 175.900 0.007 0.000 1.272 6 Y CA 0.000 58.101 58.100 0.002 0.000 1.940 6 Y CB 0.000 38.458 38.460 -0.003 0.000 1.050 7 N N 0.048 118.673 118.700 -0.125 0.000 2.069 7 N HA -0.164 4.577 4.740 0.001 0.000 0.191 7 N C 1.252 176.667 175.510 -0.159 0.000 1.031 7 N CA 2.380 55.309 53.050 -0.203 0.000 0.852 7 N CB -0.132 38.304 38.487 -0.084 0.000 1.018 7 N HN 0.353 nan 8.380 nan 0.000 0.423 8 T N 0.929 115.439 114.554 -0.073 0.000 2.684 8 T HA -0.134 4.217 4.350 0.001 0.000 0.267 8 T C 1.535 176.222 174.700 -0.022 0.000 1.036 8 T CA 1.350 63.444 62.100 -0.010 0.000 1.148 8 T CB -0.304 68.564 68.868 -0.001 0.000 0.863 8 T HN 0.270 nan 8.240 nan 0.000 0.436 9 E N 1.241 121.393 120.200 -0.081 0.000 2.150 9 E HA 0.066 4.417 4.350 0.001 0.000 0.193 9 E C 2.352 178.874 176.600 -0.130 0.000 0.985 9 E CA 0.979 57.328 56.400 -0.085 0.000 0.814 9 E CB -0.451 29.209 29.700 -0.067 0.000 0.752 9 E HN 0.511 nan 8.360 nan 0.000 0.466 10 A N 0.372 123.029 122.820 -0.271 0.000 1.898 10 A HA -0.150 4.170 4.320 0.001 0.000 0.216 10 A C 2.011 179.602 177.584 0.011 0.000 1.181 10 A CA 1.065 52.955 52.037 -0.244 0.000 0.620 10 A CB -0.670 18.045 19.000 -0.476 0.000 0.819 10 A HN 0.328 nan 8.150 nan 0.000 0.442 11 F N 1.311 121.167 119.950 -0.157 0.000 2.146 11 F HA -0.119 4.409 4.527 0.001 0.000 0.298 11 F C 1.746 177.551 175.800 0.009 0.000 1.096 11 F CA 1.680 59.627 58.000 -0.089 0.000 1.275 11 F CB -0.663 38.242 39.000 -0.158 0.000 1.008 11 F HN 0.375 nan 8.300 nan 0.000 0.480 12 D N -0.118 120.222 120.400 -0.101 0.000 2.117 12 D HA -0.184 4.457 4.640 0.001 0.000 0.197 12 D C 2.093 178.332 176.300 -0.102 0.000 0.987 12 D CA 1.588 55.469 54.000 -0.199 0.000 0.829 12 D CB -0.149 40.595 40.800 -0.094 0.000 0.961 12 D HN 0.447 nan 8.370 nan 0.000 0.460 13 E N -1.034 119.159 120.200 -0.012 0.000 2.110 13 E HA -0.162 4.188 4.350 0.001 0.000 0.193 13 E C 1.610 178.243 176.600 0.055 0.000 0.988 13 E CA 0.775 57.188 56.400 0.021 0.000 0.804 13 E CB -0.201 29.518 29.700 0.031 0.000 0.745 13 E HN 0.469 nan 8.360 nan 0.000 0.458 14 W N 1.090 122.345 121.300 -0.075 0.000 2.355 14 W HA -0.178 4.482 4.660 0.001 0.000 0.309 14 W C 1.717 178.210 176.519 -0.045 0.000 1.206 14 W CA 0.992 58.323 57.345 -0.023 0.000 1.284 14 W CB -0.086 29.398 29.460 0.038 0.000 1.145 14 W HN -0.017 nan 8.180 nan 0.000 0.502 15 I N 0.908 121.369 120.570 -0.181 0.000 2.286 15 I HA -0.240 3.931 4.170 0.001 0.000 0.248 15 I C 2.040 177.980 176.117 -0.295 0.000 1.115 15 I CA 1.658 62.663 61.300 -0.492 0.000 1.392 15 I CB -1.284 36.311 38.000 -0.675 0.000 1.065 15 I HN 0.102 nan 8.210 nan 0.000 0.418 16 R N 0.074 120.451 120.500 -0.204 0.000 2.313 16 R HA -0.002 4.339 4.340 0.001 0.000 0.199 16 R C 1.782 178.011 176.300 -0.118 0.000 0.958 16 R CA 0.800 56.818 56.100 -0.138 0.000 1.047 16 R CB 0.183 30.441 30.300 -0.071 0.000 0.955 16 R HN 0.494 nan 8.270 nan 0.000 0.481 17 S N -0.663 114.947 115.700 -0.150 0.000 3.420 17 S HA 0.089 4.560 4.470 0.001 0.000 0.173 17 S C 1.593 176.071 174.600 -0.204 0.000 0.800 17 S CA -0.550 57.570 58.200 -0.133 0.000 0.963 17 S CB -0.128 63.030 63.200 -0.069 0.000 1.236 17 S HN -0.047 nan 8.310 nan 0.000 0.827 18 R N 0.907 121.253 120.500 -0.257 0.000 2.103 18 R HA 0.034 4.375 4.340 0.001 0.000 0.242 18 R C 2.022 178.048 176.300 -0.458 0.000 1.142 18 R CA 1.873 57.800 56.100 -0.289 0.000 0.960 18 R CB -1.474 28.726 30.300 -0.165 0.000 0.858 18 R HN 0.535 nan 8.270 nan 0.000 0.439 19 F N -0.174 119.163 119.950 -1.023 0.000 2.091 19 F HA -0.221 4.306 4.527 0.001 0.000 0.299 19 F C 1.879 177.434 175.800 -0.409 0.000 1.103 19 F CA 1.755 59.195 58.000 -0.933 0.000 1.228 19 F CB -0.442 37.934 39.000 -1.041 0.000 0.984 19 F HN -0.122 nan 8.300 nan 0.000 0.477 20 V N 0.467 120.203 119.914 -0.298 0.000 2.307 20 V HA -0.284 3.836 4.120 0.001 0.000 0.245 20 V C 2.257 178.209 176.094 -0.237 0.000 1.045 20 V CA 2.254 64.393 62.300 -0.268 0.000 1.024 20 V CB -0.846 30.877 31.823 -0.166 0.000 0.651 20 V HN 0.333 nan 8.190 nan 0.000 0.449 21 E N 0.261 120.346 120.200 -0.191 0.000 2.070 21 E HA -0.237 4.113 4.350 0.001 0.000 0.197 21 E C 2.242 178.758 176.600 -0.139 0.000 1.004 21 E CA 1.611 57.930 56.400 -0.136 0.000 0.805 21 E CB -0.305 29.335 29.700 -0.101 0.000 0.744 21 E HN 0.498 nan 8.360 nan 0.000 0.451 22 L N 1.204 122.325 121.223 -0.171 0.000 1.970 22 L HA -0.225 4.116 4.340 0.001 0.000 0.212 22 L C 2.258 179.035 176.870 -0.156 0.000 1.071 22 L CA 1.018 55.770 54.840 -0.147 0.000 0.751 22 L CB -0.620 41.366 42.059 -0.122 0.000 0.889 22 L HN 0.157 nan 8.230 nan 0.000 0.432 23 N N -0.331 118.249 118.700 -0.199 0.000 2.149 23 N HA -0.146 4.594 4.740 0.001 0.000 0.188 23 N C 2.016 177.542 175.510 0.026 0.000 1.019 23 N CA 1.583 54.624 53.050 -0.015 0.000 0.857 23 N CB -0.227 38.190 38.487 -0.116 0.000 0.997 23 N HN 0.241 nan 8.380 nan 0.000 0.426 24 S N 1.436 117.098 115.700 -0.063 0.000 2.348 24 S HA -0.128 4.343 4.470 0.001 0.000 0.221 24 S C 1.953 176.528 174.600 -0.041 0.000 1.033 24 S CA 0.981 59.158 58.200 -0.040 0.000 1.010 24 S CB -0.280 62.879 63.200 -0.068 0.000 0.891 24 S HN 0.400 nan 8.310 nan 0.000 0.442 25 Q N 0.443 120.199 119.800 -0.072 0.000 2.135 25 Q HA -0.051 4.290 4.340 0.001 0.000 0.204 25 Q C 2.160 178.078 176.000 -0.136 0.000 0.981 25 Q CA 1.060 56.810 55.803 -0.088 0.000 0.856 25 Q CB -0.318 28.366 28.738 -0.089 0.000 0.902 25 Q HN 0.457 nan 8.270 nan 0.000 0.425 26 L N 0.373 121.499 121.223 -0.161 0.000 2.056 26 L HA -0.175 4.165 4.340 0.001 0.000 0.207 26 L C 2.236 178.891 176.870 -0.358 0.000 1.078 26 L CA 0.772 55.413 54.840 -0.332 0.000 0.749 26 L CB -0.180 41.712 42.059 -0.278 0.000 0.901 26 L HN 0.172 nan 8.230 nan 0.000 0.433 27 E N -0.312 119.908 120.200 0.033 0.000 2.153 27 E HA -0.273 4.078 4.350 0.001 0.000 0.194 27 E C 2.015 178.670 176.600 0.091 0.000 0.988 27 E CA 0.963 57.487 56.400 0.207 0.000 0.811 27 E CB -0.149 29.656 29.700 0.174 0.000 0.746 27 E HN 0.369 nan 8.360 nan 0.000 0.466 28 Q N 0.706 120.502 119.800 -0.006 0.000 2.124 28 Q HA -0.053 4.288 4.340 0.001 0.000 0.202 28 Q C 2.171 178.171 176.000 -0.001 0.000 0.977 28 Q CA 1.055 56.867 55.803 0.016 0.000 0.850 28 Q CB -0.263 28.464 28.738 -0.017 0.000 0.901 28 Q HN 0.295 nan 8.270 nan 0.000 0.429 29 L N -0.956 120.182 121.223 -0.142 0.000 2.027 29 L HA -0.161 4.180 4.340 0.001 0.000 0.206 29 L C 2.098 178.915 176.870 -0.087 0.000 1.074 29 L CA 1.136 55.870 54.840 -0.176 0.000 0.745 29 L CB -0.635 41.225 42.059 -0.331 0.000 0.898 29 L HN 0.251 nan 8.230 nan 0.000 0.433 30 Y N -1.537 118.801 120.300 0.063 0.000 2.181 30 Y HA -0.275 4.276 4.550 0.001 0.000 0.288 30 Y C 2.444 178.391 175.900 0.078 0.000 1.146 30 Y CA 1.000 59.138 58.100 0.064 0.000 1.164 30 Y CB -1.053 37.458 38.460 0.085 0.000 0.982 30 Y HN 0.052 nan 8.280 nan 0.000 0.515 31 Y N 0.965 121.333 120.300 0.114 0.000 2.574 31 Y HA -0.187 4.364 4.550 0.001 0.000 0.294 31 Y C 2.118 178.007 175.900 -0.017 0.000 1.142 31 Y CA 0.877 58.992 58.100 0.024 0.000 1.314 31 Y CB -0.327 38.160 38.460 0.046 0.000 0.991 31 Y HN 0.266 nan 8.280 nan 0.000 0.555 32 Q N -0.034 119.795 119.800 0.048 0.000 2.033 32 Q HA -0.119 4.222 4.340 0.001 0.000 0.196 32 Q C 0.991 176.951 176.000 -0.067 0.000 0.970 32 Q CA 0.734 56.523 55.803 -0.023 0.000 0.828 32 Q CB -0.176 28.560 28.738 -0.003 0.000 0.895 32 Q HN 0.535 nan 8.270 nan 0.000 0.440 33 Q N 0.244 120.023 119.800 -0.036 0.000 2.616 33 Q HA -0.100 4.240 4.340 0.001 0.000 0.269 33 Q C 0.787 176.731 176.000 -0.093 0.000 1.148 33 Q CA 1.061 56.839 55.803 -0.042 0.000 1.003 33 Q CB 0.266 29.004 28.738 0.001 0.000 1.322 33 Q HN 0.010 nan 8.270 nan 0.000 0.518 34 T N -0.949 113.560 114.554 -0.076 0.000 2.942 34 T HA -0.142 4.209 4.350 0.001 0.000 0.265 34 T C 1.311 175.948 174.700 -0.106 0.000 1.062 34 T CA 1.392 63.436 62.100 -0.094 0.000 1.139 34 T CB -0.225 68.607 68.868 -0.060 0.000 0.883 34 T HN 0.688 nan 8.240 nan 0.000 0.468 35 D N 0.406 120.764 120.400 -0.070 0.000 2.084 35 D HA -0.092 4.548 4.640 0.001 0.000 0.196 35 D C 1.930 178.157 176.300 -0.121 0.000 0.985 35 D CA 1.304 55.273 54.000 -0.051 0.000 0.826 35 D CB -0.065 40.731 40.800 -0.007 0.000 0.978 35 D HN 0.380 nan 8.370 nan 0.000 0.456 36 R N -1.816 118.606 120.500 -0.131 0.000 3.733 36 R HA -0.271 4.070 4.340 0.001 0.000 0.375 36 R C 1.480 177.738 176.300 -0.069 0.000 0.588 36 R CA 1.503 57.464 56.100 -0.231 0.000 1.567 36 R CB -1.774 28.099 30.300 -0.713 0.000 1.933 36 R HN 0.243 nan 8.270 nan 0.000 0.396 37 A N 0.481 123.337 122.820 0.061 0.000 2.095 37 A HA 0.136 4.457 4.320 0.001 0.000 0.212 37 A C 0.771 178.356 177.584 0.002 0.000 1.162 37 A CA 0.501 52.647 52.037 0.181 0.000 0.753 37 A CB -0.214 18.976 19.000 0.316 0.000 0.840 37 A HN 0.462 nan 8.150 nan 0.000 0.468 38 N N 0.408 119.116 118.700 0.013 0.000 2.454 38 N HA 0.110 4.851 4.740 0.001 0.000 0.254 38 N C 0.364 175.864 175.510 -0.017 0.000 1.228 38 N CA 0.711 53.762 53.050 0.002 0.000 0.900 38 N CB 1.074 39.580 38.487 0.031 0.000 1.089 38 N HN -0.009 nan 8.380 nan 0.000 0.449 39 V N 1.432 121.334 119.914 -0.020 0.000 3.480 39 V HA 0.049 4.170 4.120 0.001 0.000 0.263 39 V C 0.233 176.393 176.094 0.110 0.000 1.442 39 V CA -0.065 62.251 62.300 0.027 0.000 1.053 39 V CB 0.197 31.943 31.823 -0.128 0.000 0.846 39 V HN 0.623 nan 8.190 nan 0.000 0.440 40 Q N 1.823 121.656 119.800 0.055 0.000 2.239 40 Q HA 0.146 4.487 4.340 0.001 0.000 0.286 40 Q C -0.173 175.863 176.000 0.061 0.000 1.102 40 Q CA 0.571 56.404 55.803 0.050 0.000 0.936 40 Q CB -0.015 28.740 28.738 0.029 0.000 1.127 40 Q HN 0.539 nan 8.270 nan 0.000 0.380 41 E N 0.320 120.555 120.200 0.058 0.000 5.927 41 E HA -0.189 4.162 4.350 0.001 0.000 0.230 41 E C -0.486 176.147 176.600 0.055 0.000 1.566 41 E CA 0.903 57.330 56.400 0.045 0.000 1.286 41 E CB -0.759 28.958 29.700 0.029 0.000 0.975 41 E HN 0.545 nan 8.360 nan 0.000 0.314 42 V N 2.005 121.946 119.914 0.044 0.000 4.836 42 V HA 0.307 4.428 4.120 0.001 0.000 0.136 42 V C 0.550 176.615 176.094 -0.049 0.000 1.326 42 V CA 1.045 63.354 62.300 0.016 0.000 0.878 42 V CB 0.401 32.273 31.823 0.081 0.000 0.985 42 V HN 0.836 nan 8.190 nan 0.000 0.644 43 G N 0.970 109.737 108.800 -0.055 0.000 4.864 43 G HA2 0.344 4.304 3.960 0.001 0.000 0.280 43 G HA3 0.344 4.304 3.960 0.001 0.000 0.280 43 G C 0.798 175.669 174.900 -0.048 0.000 1.239 43 G CA 0.965 46.002 45.100 -0.105 0.000 0.951 43 G HN 0.854 nan 8.290 nan 0.000 0.583 44 T N -2.825 111.725 114.554 -0.007 0.000 2.977 44 T HA -0.056 4.295 4.350 0.001 0.000 0.271 44 T C 1.507 176.224 174.700 0.029 0.000 1.105 44 T CA 1.306 63.418 62.100 0.019 0.000 1.116 44 T CB 0.154 69.034 68.868 0.020 0.000 0.878 44 T HN 0.327 nan 8.240 nan 0.000 0.509 45 E N 0.685 120.890 120.200 0.008 0.000 2.086 45 E HA 0.109 4.460 4.350 0.001 0.000 0.190 45 E C 2.174 178.804 176.600 0.051 0.000 0.975 45 E CA 0.608 57.025 56.400 0.029 0.000 0.813 45 E CB -0.102 29.600 29.700 0.003 0.000 0.768 45 E HN 0.524 nan 8.360 nan 0.000 0.457 46 L N 0.856 122.074 121.223 -0.008 0.000 2.141 46 L HA -0.148 4.192 4.340 0.001 0.000 0.209 46 L C 2.371 179.230 176.870 -0.019 0.000 1.094 46 L CA 1.000 55.824 54.840 -0.027 0.000 0.763 46 L CB -0.221 41.775 42.059 -0.105 0.000 0.908 46 L HN -0.008 nan 8.230 nan 0.000 0.437 47 K N -0.762 119.621 120.400 -0.029 0.000 2.057 47 K HA -0.237 4.083 4.320 0.001 0.000 0.207 47 K C 2.121 178.770 176.600 0.081 0.000 1.049 47 K CA 1.622 57.905 56.287 -0.006 0.000 0.931 47 K CB -0.321 32.189 32.500 0.017 0.000 0.714 47 K HN 0.274 nan 8.250 nan 0.000 0.440 48 H N 0.774 119.864 119.070 0.033 0.000 2.321 48 H HA -0.072 4.485 4.556 0.001 0.000 0.300 48 H C 1.749 177.126 175.328 0.083 0.000 1.087 48 H CA 2.200 58.280 56.048 0.053 0.000 1.319 48 H CB -0.198 29.585 29.762 0.034 0.000 1.379 48 H HN 0.019 nan 8.280 nan 0.000 0.501 49 T N 0.991 115.589 114.554 0.074 0.000 2.720 49 T HA -0.148 4.202 4.350 0.001 0.000 0.268 49 T C 2.007 176.790 174.700 0.138 0.000 1.037 49 T CA 1.272 63.415 62.100 0.071 0.000 1.144 49 T CB -0.412 68.531 68.868 0.125 0.000 0.864 49 T HN 0.212 nan 8.240 nan 0.000 0.444 50 L N 1.226 122.563 121.223 0.190 0.000 2.005 50 L HA 0.003 4.344 4.340 0.001 0.000 0.207 50 L C 2.479 179.614 176.870 0.442 0.000 1.072 50 L CA 1.944 57.019 54.840 0.392 0.000 0.744 50 L CB -0.646 41.576 42.059 0.272 0.000 0.895 50 L HN 0.265 nan 8.230 nan 0.000 0.433 51 E N -1.302 119.041 120.200 0.237 0.000 2.031 51 E HA -0.239 4.112 4.350 0.001 0.000 0.193 51 E C 2.253 178.913 176.600 0.100 0.000 0.994 51 E CA 1.373 57.914 56.400 0.235 0.000 0.800 51 E CB -0.225 29.528 29.700 0.087 0.000 0.752 51 E HN 0.545 nan 8.360 nan 0.000 0.447 52 S N 0.113 115.736 115.700 -0.128 0.000 2.353 52 S HA -0.215 4.256 4.470 0.001 0.000 0.222 52 S C 1.829 176.315 174.600 -0.189 0.000 1.035 52 S CA 1.701 59.767 58.200 -0.223 0.000 1.025 52 S CB -0.284 62.645 63.200 -0.451 0.000 0.902 52 S HN 0.331 nan 8.310 nan 0.000 0.440 53 E N -0.006 120.104 120.200 -0.149 0.000 2.051 53 E HA -0.089 4.262 4.350 0.001 0.000 0.192 53 E C 2.300 178.469 176.600 -0.719 0.000 0.991 53 E CA 0.964 57.182 56.400 -0.303 0.000 0.799 53 E CB -0.636 29.023 29.700 -0.069 0.000 0.748 53 E HN 0.661 nan 8.360 nan 0.000 0.449 54 G N 1.397 109.743 108.800 -0.756 0.000 2.421 54 G HA2 -0.323 3.638 3.960 0.001 0.000 0.216 54 G HA3 -0.323 3.638 3.960 0.001 0.000 0.216 54 G C 1.544 175.862 174.900 -0.969 0.000 1.171 54 G CA 0.854 45.266 45.100 -1.147 0.000 0.775 54 G HN 0.118 nan 8.290 nan 0.000 0.543 55 R N 0.185 120.342 120.500 -0.573 0.000 2.103 55 R HA -0.113 4.228 4.340 0.001 0.000 0.242 55 R C 2.462 178.521 176.300 -0.403 0.000 1.142 55 R CA 1.674 57.531 56.100 -0.405 0.000 0.960 55 R CB -0.162 30.047 30.300 -0.152 0.000 0.858 55 R HN 0.245 nan 8.270 nan 0.000 0.439 56 E N 0.663 120.643 120.200 -0.367 0.000 2.077 56 E HA -0.188 4.163 4.350 0.001 0.000 0.193 56 E C 2.121 178.495 176.600 -0.376 0.000 0.989 56 E CA 1.068 57.286 56.400 -0.304 0.000 0.800 56 E CB -0.224 29.334 29.700 -0.237 0.000 0.746 56 E HN 0.424 nan 8.360 nan 0.000 0.452 57 L N 0.335 121.241 121.223 -0.528 0.000 2.083 57 L HA -0.149 4.191 4.340 0.001 0.000 0.209 57 L C 2.507 178.960 176.870 -0.695 0.000 1.083 57 L CA 0.602 55.102 54.840 -0.565 0.000 0.752 57 L CB -0.373 41.310 42.059 -0.627 0.000 0.899 57 L HN -0.019 nan 8.230 nan 0.000 0.433 58 V N -0.232 119.183 119.914 -0.831 0.000 2.307 58 V HA -0.266 3.855 4.120 0.001 0.000 0.245 58 V C 2.458 178.302 176.094 -0.416 0.000 1.045 58 V CA 1.677 63.531 62.300 -0.743 0.000 1.024 58 V CB -0.441 30.968 31.823 -0.688 0.000 0.651 58 V HN 0.385 nan 8.190 nan 0.000 0.449 59 K N 0.368 120.571 120.400 -0.327 0.000 2.103 59 K HA -0.126 4.195 4.320 0.001 0.000 0.207 59 K C 2.111 178.605 176.600 -0.177 0.000 1.048 59 K CA 1.496 57.659 56.287 -0.206 0.000 0.930 59 K CB -0.396 32.004 32.500 -0.167 0.000 0.716 59 K HN 0.472 nan 8.250 nan 0.000 0.444 60 A N 0.482 123.179 122.820 -0.204 0.000 2.216 60 A HA -0.036 4.284 4.320 0.001 0.000 0.214 60 A C 1.796 179.296 177.584 -0.140 0.000 1.160 60 A CA 0.947 52.895 52.037 -0.148 0.000 0.725 60 A CB -0.222 18.691 19.000 -0.146 0.000 0.784 60 A HN 0.194 nan 8.150 nan 0.000 0.472 61 L N -1.579 119.530 121.223 -0.190 0.000 2.515 61 L HA 0.261 4.601 4.340 0.001 0.000 0.223 61 L C 1.373 178.179 176.870 -0.107 0.000 1.079 61 L CA 0.108 54.852 54.840 -0.159 0.000 0.857 61 L CB 0.159 42.077 42.059 -0.235 0.000 1.050 61 L HN 0.331 nan 8.230 nan 0.000 0.476 62 L N 0.525 121.683 121.223 -0.108 0.000 2.994 62 L HA -0.068 4.273 4.340 0.001 0.000 0.256 62 L C 0.697 177.550 176.870 -0.029 0.000 1.315 62 L CA 0.313 55.120 54.840 -0.056 0.000 1.143 62 L CB -0.231 41.792 42.059 -0.060 0.000 1.530 62 L HN 0.248 nan 8.230 nan 0.000 0.422 63 D N -0.915 119.469 120.400 -0.028 0.000 2.412 63 D HA -0.059 4.581 4.640 0.001 0.000 0.298 63 D C 1.208 177.507 176.300 -0.002 0.000 1.136 63 D CA 0.422 54.414 54.000 -0.013 0.000 0.988 63 D CB 0.578 41.365 40.800 -0.021 0.000 1.712 63 D HN 0.361 nan 8.370 nan 0.000 0.503 64 E N 0.211 120.404 120.200 -0.011 0.000 2.499 64 E HA 0.275 4.625 4.350 0.001 0.000 0.199 64 E C 0.740 177.332 176.600 -0.013 0.000 1.016 64 E CA -0.123 56.274 56.400 -0.004 0.000 0.933 64 E CB 0.377 30.077 29.700 0.000 0.000 1.050 64 E HN 0.167 nan 8.360 nan 0.000 0.462 65 G N 1.498 110.287 108.800 -0.018 0.000 3.949 65 G HA2 0.053 4.013 3.960 0.001 0.000 0.295 65 G HA3 0.053 4.013 3.960 0.001 0.000 0.295 65 G C 0.434 175.302 174.900 -0.054 0.000 1.286 65 G CA -0.349 44.729 45.100 -0.038 0.000 1.171 65 G HN 0.234 nan 8.290 nan 0.000 0.586 66 N N -0.866 117.818 118.700 -0.027 0.000 1.938 66 N HA -0.098 4.642 4.740 0.001 0.000 0.225 66 N C 1.923 177.431 175.510 -0.003 0.000 1.400 66 N CA 0.784 53.822 53.050 -0.020 0.000 0.772 66 N CB 0.040 38.600 38.487 0.122 0.000 1.124 66 N HN 0.015 nan 8.380 nan 0.000 0.513 67 T N -2.330 112.221 114.554 -0.006 0.000 3.051 67 T HA -0.030 4.320 4.350 0.001 0.000 0.269 67 T C 0.230 174.930 174.700 0.001 0.000 1.127 67 T CA 0.779 62.881 62.100 0.004 0.000 1.107 67 T CB -0.546 68.326 68.868 0.006 0.000 0.898 67 T HN 0.305 nan 8.240 nan 0.000 0.517 68 D N 1.286 121.677 120.400 -0.015 0.000 4.201 68 D HA -0.137 4.503 4.640 0.001 0.000 0.238 68 D C -0.175 176.129 176.300 0.008 0.000 1.070 68 D CA 0.355 54.350 54.000 -0.008 0.000 1.208 68 D CB -0.781 40.023 40.800 0.005 0.000 0.825 68 D HN 0.455 nan 8.370 nan 0.000 0.404 69 E N 2.075 122.279 120.200 0.007 0.000 2.496 69 E HA 0.482 4.832 4.350 0.001 0.000 0.202 69 E C 1.216 177.838 176.600 0.036 0.000 1.021 69 E CA 0.283 56.695 56.400 0.020 0.000 1.015 69 E CB 0.300 30.009 29.700 0.016 0.000 1.102 69 E HN 0.824 nan 8.360 nan 0.000 0.452 70 G N 0.783 109.611 108.800 0.048 0.000 2.619 70 G HA2 -0.270 3.690 3.960 0.001 0.000 0.686 70 G HA3 -0.270 3.690 3.960 0.001 0.000 0.686 70 G C 0.033 175.000 174.900 0.112 0.000 1.256 70 G CA -0.409 44.744 45.100 0.088 0.000 0.826 70 G HN 0.189 nan 8.290 nan 0.000 0.619 71 F N 0.579 120.546 119.950 0.027 0.000 2.134 71 F HA -0.019 4.509 4.527 0.001 0.000 0.299 71 F C 2.333 178.182 175.800 0.081 0.000 1.097 71 F CA 2.527 60.547 58.000 0.034 0.000 1.264 71 F CB 0.063 39.060 39.000 -0.005 0.000 1.001 71 F HN 0.496 nan 8.300 nan 0.000 0.479 72 D N -0.213 120.339 120.400 0.253 0.000 2.123 72 D HA -0.166 4.475 4.640 0.001 0.000 0.196 72 D C 2.456 178.808 176.300 0.085 0.000 0.992 72 D CA 1.678 55.801 54.000 0.205 0.000 0.833 72 D CB -0.416 40.517 40.800 0.222 0.000 0.954 72 D HN 0.279 nan 8.370 nan 0.000 0.455 73 S N 0.508 116.237 115.700 0.048 0.000 2.368 73 S HA -0.103 4.367 4.470 0.001 0.000 0.224 73 S C 2.122 176.702 174.600 -0.034 0.000 1.029 73 S CA 1.044 59.254 58.200 0.017 0.000 0.988 73 S CB -0.150 63.060 63.200 0.018 0.000 0.838 73 S HN 0.361 nan 8.310 nan 0.000 0.462 74 A N 1.085 123.854 122.820 -0.086 0.000 1.858 74 A HA -0.098 4.223 4.320 0.001 0.000 0.216 74 A C 1.909 179.415 177.584 -0.130 0.000 1.190 74 A CA 1.510 53.468 52.037 -0.131 0.000 0.617 74 A CB -0.954 17.938 19.000 -0.181 0.000 0.827 74 A HN 0.475 nan 8.150 nan 0.000 0.443 75 F N 1.003 120.709 119.950 -0.406 0.000 2.171 75 F HA -0.165 4.362 4.527 0.001 0.000 0.300 75 F C 1.820 177.606 175.800 -0.023 0.000 1.090 75 F CA 1.931 59.758 58.000 -0.287 0.000 1.293 75 F CB -0.456 38.254 39.000 -0.482 0.000 1.013 75 F HN 0.394 nan 8.300 nan 0.000 0.486 76 D N -0.292 120.088 120.400 -0.033 0.000 2.117 76 D HA -0.182 4.458 4.640 0.001 0.000 0.198 76 D C 2.159 178.356 176.300 -0.172 0.000 0.982 76 D CA 1.140 55.091 54.000 -0.082 0.000 0.828 76 D CB -0.202 40.599 40.800 0.003 0.000 0.967 76 D HN 0.271 nan 8.370 nan 0.000 0.464 77 L N 0.133 121.285 121.223 -0.119 0.000 2.056 77 L HA -0.001 4.340 4.340 0.001 0.000 0.207 77 L C 2.001 178.795 176.870 -0.127 0.000 1.078 77 L CA 1.327 56.116 54.840 -0.085 0.000 0.749 77 L CB -0.899 41.136 42.059 -0.039 0.000 0.901 77 L HN 0.192 nan 8.230 nan 0.000 0.433 78 L N -0.011 121.105 121.223 -0.179 0.000 2.127 78 L HA -0.032 4.309 4.340 0.001 0.000 0.211 78 L C 2.245 178.866 176.870 -0.415 0.000 1.089 78 L CA 2.009 56.727 54.840 -0.202 0.000 0.757 78 L CB -1.365 40.603 42.059 -0.151 0.000 0.899 78 L HN 0.322 nan 8.230 nan 0.000 0.434 79 G N -0.756 107.611 108.800 -0.722 0.000 2.421 79 G HA2 -0.293 3.668 3.960 0.001 0.000 0.216 79 G HA3 -0.293 3.668 3.960 0.001 0.000 0.216 79 G C 1.436 175.989 174.900 -0.578 0.000 1.171 79 G CA 0.762 45.178 45.100 -1.140 0.000 0.775 79 G HN 0.454 nan 8.290 nan 0.000 0.543 80 N N 0.511 118.953 118.700 -0.430 0.000 2.084 80 N HA -0.110 4.631 4.740 0.001 0.000 0.190 80 N C 2.370 177.780 175.510 -0.167 0.000 1.030 80 N CA 1.279 54.042 53.050 -0.479 0.000 0.849 80 N CB -0.707 37.336 38.487 -0.740 0.000 1.012 80 N HN 0.183 nan 8.380 nan 0.000 0.423 81 V N 0.918 120.901 119.914 0.116 0.000 2.332 81 V HA -0.167 3.953 4.120 0.001 0.000 0.248 81 V C 2.430 178.636 176.094 0.187 0.000 1.055 81 V CA 2.065 64.522 62.300 0.263 0.000 1.038 81 V CB -1.262 30.648 31.823 0.144 0.000 0.651 81 V HN 0.368 nan 8.190 nan 0.000 0.450 82 G N -0.515 108.312 108.800 0.045 0.000 2.422 82 G HA2 -0.198 3.763 3.960 0.001 0.000 0.218 82 G HA3 -0.198 3.763 3.960 0.001 0.000 0.218 82 G C 1.503 176.497 174.900 0.157 0.000 1.146 82 G CA 0.700 45.893 45.100 0.156 0.000 0.769 82 G HN 0.371 nan 8.290 nan 0.000 0.547 83 L N -0.283 120.895 121.223 -0.075 0.000 2.046 83 L HA 0.142 4.482 4.340 0.001 0.000 0.208 83 L C 1.676 178.639 176.870 0.155 0.000 1.077 83 L CA 0.245 54.988 54.840 -0.162 0.000 0.747 83 L CB -1.047 40.678 42.059 -0.558 0.000 0.896 83 L HN 0.404 nan 8.230 nan 0.000 0.432 87 A N -0.115 122.751 122.820 0.076 0.000 1.898 87 A HA -0.051 4.269 4.320 0.001 0.000 0.216 87 A C 2.106 179.607 177.584 -0.137 0.000 1.181 87 A CA 2.069 54.139 52.037 0.055 0.000 0.620 87 A CB -1.338 17.894 19.000 0.388 0.000 0.819 87 A HN 0.942 nan 8.150 nan 0.000 0.442 88 C N -0.961 118.243 119.300 -0.159 0.000 2.413 88 C HA -0.089 4.371 4.460 0.001 0.000 0.277 88 C C 2.799 177.683 174.990 -0.176 0.000 1.265 88 C CA 1.490 60.405 59.018 -0.171 0.000 1.752 88 C CB -1.240 26.299 27.740 -0.335 0.000 1.998 88 C HN 0.744 nan 8.230 nan 0.000 0.489 89 R N 1.356 121.711 120.500 -0.241 0.000 2.092 89 R HA -0.051 4.289 4.340 0.001 0.000 0.231 89 R C 2.382 178.546 176.300 -0.226 0.000 1.119 89 R CA 1.341 57.343 56.100 -0.164 0.000 0.970 89 R CB -0.737 29.531 30.300 -0.053 0.000 0.864 89 R HN 0.404 nan 8.270 nan 0.000 0.440 90 R N -0.010 120.247 120.500 -0.406 0.000 2.073 90 R HA -0.113 4.228 4.340 0.001 0.000 0.234 90 R C 0.685 176.638 176.300 -0.579 0.000 1.134 90 R CA 1.625 57.319 56.100 -0.676 0.000 0.952 90 R CB -0.477 29.041 30.300 -1.303 0.000 0.850 90 R HN 0.458 nan 8.270 nan 0.000 0.433 91 H N 1.416 120.344 119.070 -0.237 0.000 2.607 91 H HA 0.112 4.668 4.556 0.001 0.000 0.288 91 H C -0.054 175.224 175.328 -0.083 0.000 1.058 91 H CA 0.188 56.166 56.048 -0.116 0.000 1.178 91 H CB -0.155 29.609 29.762 0.004 0.000 1.340 91 H HN 0.364 nan 8.280 nan 0.000 0.591 92 E N 0.016 120.184 120.200 -0.054 0.000 2.551 92 E HA -0.245 4.106 4.350 0.001 0.000 0.251 92 E C 0.884 177.488 176.600 0.007 0.000 1.210 92 E CA 0.311 56.691 56.400 -0.033 0.000 0.725 92 E CB -1.356 28.324 29.700 -0.033 0.000 1.290 92 E HN 0.579 nan 8.360 nan 0.000 0.413 93 I N -0.317 120.265 120.570 0.020 0.000 3.001 93 I HA -0.075 4.096 4.170 0.001 0.000 0.268 93 I C 1.280 177.397 176.117 0.000 0.000 1.267 93 I CA 0.988 62.303 61.300 0.025 0.000 1.472 93 I CB 0.174 38.191 38.000 0.029 0.000 1.089 93 I HN 0.049 nan 8.210 nan 0.000 0.468 94 T N 0.398 114.939 114.554 -0.022 0.000 2.952 94 T HA 0.323 4.674 4.350 0.001 0.000 0.305 94 T C -1.151 173.549 174.700 0.001 0.000 1.064 94 T CA -0.552 61.541 62.100 -0.013 0.000 1.008 94 T CB 1.864 70.707 68.868 -0.041 0.000 1.078 94 T HN -0.035 nan 8.240 nan 0.000 0.459 95 E N 4.384 124.598 120.200 0.023 0.000 2.275 95 E HA 0.368 4.719 4.350 0.001 0.000 0.270 95 E C -2.124 174.505 176.600 0.048 0.000 0.882 95 E CA -2.241 54.177 56.400 0.029 0.000 0.758 95 E CB 2.759 32.467 29.700 0.013 0.000 1.195 95 E HN 0.401 nan 8.360 nan 0.000 0.419 96 P HA -0.188 nan 4.420 nan 0.000 0.208 96 P C 1.219 178.541 177.300 0.037 0.000 1.195 96 P CA 2.353 65.489 63.100 0.061 0.000 0.927 96 P CB -0.256 31.480 31.700 0.059 0.000 0.778 97 T N -1.756 112.812 114.554 0.025 0.000 2.759 97 T HA -0.175 4.176 4.350 0.001 0.000 0.269 97 T C 2.119 176.830 174.700 0.017 0.000 1.042 97 T CA 1.227 63.337 62.100 0.016 0.000 1.140 97 T CB -0.927 67.948 68.868 0.010 0.000 0.864 97 T HN 0.096 nan 8.240 nan 0.000 0.455 98 R N 1.786 122.297 120.500 0.018 0.000 2.152 98 R HA -0.022 4.318 4.340 0.001 0.000 0.232 98 R C 0.478 176.790 176.300 0.021 0.000 1.117 98 R CA 1.051 57.161 56.100 0.017 0.000 0.981 98 R CB 0.037 30.347 30.300 0.016 0.000 0.870 98 R HN 0.610 nan 8.270 nan 0.000 0.451 99 E N -1.982 118.234 120.200 0.027 0.000 2.259 99 E HA 0.105 4.455 4.350 0.001 0.000 0.257 99 E C -0.025 176.592 176.600 0.029 0.000 0.998 99 E CA -0.384 56.035 56.400 0.030 0.000 0.866 99 E CB 1.697 31.421 29.700 0.040 0.000 1.220 99 E HN -0.136 nan 8.360 nan 0.000 0.415 100 T N -1.145 113.427 114.554 0.030 0.000 2.959 100 T HA 0.112 4.463 4.350 0.001 0.000 0.254 100 T C -0.081 174.640 174.700 0.035 0.000 1.003 100 T CA 0.428 62.544 62.100 0.027 0.000 0.950 100 T CB 0.470 69.352 68.868 0.022 0.000 1.090 100 T HN 0.370 nan 8.240 nan 0.000 0.503 101 T N 0.181 114.761 114.554 0.044 0.000 2.885 101 T HA 0.464 4.815 4.350 0.001 0.000 0.322 101 T C -1.161 173.579 174.700 0.066 0.000 1.387 101 T CA -0.410 61.724 62.100 0.057 0.000 1.041 101 T CB 1.584 70.481 68.868 0.049 0.000 1.287 101 T HN 0.037 nan 8.240 nan 0.000 0.491 102 S N 3.276 119.029 115.700 0.088 0.000 2.546 102 S HA 0.228 4.698 4.470 0.001 0.000 0.290 102 S C -1.085 173.555 174.600 0.066 0.000 1.290 102 S CA -0.740 57.515 58.200 0.091 0.000 1.069 102 S CB 0.627 63.901 63.200 0.123 0.000 0.846 102 S HN 0.626 nan 8.310 nan 0.000 0.495 103 P HA 0.076 nan 4.420 nan 0.000 0.236 103 P C -0.119 177.210 177.300 0.048 0.000 1.177 103 P CA 0.471 63.597 63.100 0.044 0.000 0.773 103 P CB -0.009 31.714 31.700 0.038 0.000 0.878 104 L N 0.799 122.056 121.223 0.057 0.000 2.389 104 L HA 0.238 4.578 4.340 0.001 0.000 0.265 104 L C 1.869 178.780 176.870 0.068 0.000 1.167 104 L CA -0.534 54.350 54.840 0.074 0.000 1.045 104 L CB 0.181 42.297 42.059 0.096 0.000 1.351 104 L HN -0.162 nan 8.230 nan 0.000 0.419 105 L N 0.714 121.965 121.223 0.046 0.000 2.005 105 L HA -0.134 4.206 4.340 0.001 0.000 0.207 105 L C 2.426 179.308 176.870 0.020 0.000 1.072 105 L CA 1.104 55.964 54.840 0.034 0.000 0.744 105 L CB -0.322 41.749 42.059 0.020 0.000 0.895 105 L HN 0.614 nan 8.230 nan 0.000 0.433 106 E N 1.104 121.303 120.200 -0.002 0.000 2.023 106 E HA -0.243 4.107 4.350 0.001 0.000 0.196 106 E C 2.302 178.885 176.600 -0.029 0.000 1.003 106 E CA 1.600 57.979 56.400 -0.036 0.000 0.809 106 E CB -0.665 28.983 29.700 -0.086 0.000 0.755 106 E HN 0.453 nan 8.360 nan 0.000 0.449 107 A N 1.391 124.207 122.820 -0.006 0.000 1.940 107 A HA -0.169 4.151 4.320 0.001 0.000 0.219 107 A C 2.518 180.143 177.584 0.068 0.000 1.176 107 A CA 1.950 54.004 52.037 0.029 0.000 0.631 107 A CB -0.625 18.472 19.000 0.163 0.000 0.814 107 A HN 0.212 nan 8.150 nan 0.000 0.446 108 S N -0.661 115.088 115.700 0.080 0.000 2.355 108 S HA 0.007 4.477 4.470 0.001 0.000 0.222 108 S C 2.345 176.991 174.600 0.076 0.000 1.031 108 S CA 1.148 59.406 58.200 0.097 0.000 0.993 108 S CB -0.416 62.846 63.200 0.104 0.000 0.859 108 S HN 0.801 nan 8.310 nan 0.000 0.453 109 A N 1.016 123.868 122.820 0.053 0.000 1.933 109 A HA -0.068 4.253 4.320 0.001 0.000 0.218 109 A C 2.103 179.730 177.584 0.071 0.000 1.175 109 A CA 1.443 53.506 52.037 0.044 0.000 0.628 109 A CB -0.648 18.361 19.000 0.015 0.000 0.814 109 A HN 0.453 nan 8.150 nan 0.000 0.444 110 L N -0.457 120.799 121.223 0.055 0.000 2.072 110 L HA 0.228 4.568 4.340 0.001 0.000 0.205 110 L C 1.737 178.647 176.870 0.067 0.000 1.079 110 L CA 1.261 56.141 54.840 0.067 0.000 0.752 110 L CB -0.893 41.162 42.059 -0.008 0.000 0.906 110 L HN 0.387 nan 8.230 nan 0.000 0.436 114 I N 0.922 121.477 120.570 -0.026 0.000 2.202 114 I HA -0.060 4.110 4.170 0.001 0.000 0.242 114 I C 2.661 178.764 176.117 -0.023 0.000 1.091 114 I CA 1.551 62.785 61.300 -0.110 0.000 1.368 114 I CB -0.491 37.446 38.000 -0.105 0.000 1.058 114 I HN 0.400 nan 8.210 nan 0.000 0.410 115 G N 0.658 109.463 108.800 0.009 0.000 2.440 115 G HA2 -0.269 3.691 3.960 0.001 0.000 0.218 115 G HA3 -0.269 3.691 3.960 0.001 0.000 0.218 115 G C 1.820 176.748 174.900 0.047 0.000 1.154 115 G CA 0.902 46.016 45.100 0.024 0.000 0.767 115 G HN 0.502 nan 8.290 nan 0.000 0.552 116 A N 0.013 122.869 122.820 0.060 0.000 2.014 116 A HA 0.151 4.471 4.320 0.001 0.000 0.218 116 A C 2.571 180.204 177.584 0.081 0.000 1.163 116 A CA 1.993 54.076 52.037 0.077 0.000 0.652 116 A CB -0.450 18.606 19.000 0.093 0.000 0.808 116 A HN 0.343 nan 8.150 nan 0.000 0.449 117 S N -0.418 115.326 115.700 0.073 0.000 2.387 117 S HA -0.036 4.435 4.470 0.001 0.000 0.226 117 S C 1.603 176.246 174.600 0.071 0.000 1.026 117 S CA 1.304 59.538 58.200 0.058 0.000 0.972 117 S CB -0.356 62.836 63.200 -0.013 0.000 0.814 117 S HN 0.714 nan 8.310 nan 0.000 0.477 118 I N -2.973 117.648 120.570 0.085 0.000 4.018 118 I HA 0.494 4.665 4.170 0.001 0.000 0.337 118 I C 0.902 177.148 176.117 0.215 0.000 1.327 118 I CA 0.222 61.632 61.300 0.183 0.000 1.100 118 I CB 0.072 38.148 38.000 0.127 0.000 1.025 118 I HN 0.265 nan 8.210 nan 0.000 0.396 119 G N 2.433 111.310 108.800 0.127 0.000 2.248 119 G HA2 -0.137 3.823 3.960 0.001 0.000 0.263 119 G HA3 -0.137 3.823 3.960 0.001 0.000 0.263 119 G C -0.094 174.867 174.900 0.102 0.000 1.082 119 G CA 0.160 45.319 45.100 0.099 0.000 0.863 119 G HN 0.916 nan 8.290 nan 0.000 0.495 120 V N -3.832 116.141 119.914 0.099 0.000 3.130 120 V HA 0.909 5.029 4.120 0.001 0.000 0.310 120 V C 0.614 176.704 176.094 -0.007 0.000 1.158 120 V CA -0.296 62.053 62.300 0.081 0.000 1.029 120 V CB 1.497 33.427 31.823 0.178 0.000 1.057 120 V HN 0.966 nan 8.190 nan 0.000 0.436 121 T N 2.801 117.280 114.554 -0.126 0.000 2.937 121 T HA 0.259 4.609 4.350 0.001 0.000 0.316 121 T C -1.689 172.837 174.700 -0.290 0.000 1.079 121 T CA -0.334 61.574 62.100 -0.321 0.000 1.131 121 T CB 0.683 69.104 68.868 -0.744 0.000 1.000 121 T HN 0.893 nan 8.240 nan 0.000 0.549 122 P HA 0.176 nan 4.420 nan 0.000 0.246 122 P C -0.462 176.715 177.300 -0.204 0.000 1.686 122 P CA -0.058 62.877 63.100 -0.276 0.000 0.867 122 P CB -0.487 31.041 31.700 -0.285 0.000 1.733 123 R N -1.953 118.452 120.500 -0.159 0.000 2.762 123 R HA 0.475 4.816 4.340 0.001 0.000 0.271 123 R C -0.845 175.546 176.300 0.152 0.000 1.038 123 R CA -1.062 55.058 56.100 0.033 0.000 0.906 123 R CB -0.065 30.166 30.300 -0.114 0.000 1.259 123 R HN -0.213 nan 8.270 nan 0.000 0.457 124 F N 1.651 121.686 119.950 0.142 0.000 2.590 124 F HA 0.500 5.028 4.527 0.001 0.000 0.389 124 F C -0.695 175.278 175.800 0.288 0.000 1.049 124 F CA -0.329 57.787 58.000 0.194 0.000 1.199 124 F CB 0.224 39.371 39.000 0.246 0.000 1.058 124 F HN 0.697 nan 8.300 nan 0.000 0.556 125 A N 4.826 127.866 122.820 0.367 0.000 2.354 125 A HA 0.496 4.817 4.320 0.001 0.000 0.321 125 A C 1.034 178.603 177.584 -0.024 0.000 1.125 125 A CA -0.051 51.973 52.037 -0.021 0.000 0.799 125 A CB 0.873 19.889 19.000 0.028 0.000 1.293 125 A HN 0.810 nan 8.150 nan 0.000 0.452 126 T N 1.380 115.942 114.554 0.013 0.000 2.685 126 T HA -0.222 4.128 4.350 0.001 0.000 0.268 126 T C 2.098 176.920 174.700 0.203 0.000 1.034 126 T CA 2.498 64.684 62.100 0.144 0.000 1.149 126 T CB -0.435 68.524 68.868 0.152 0.000 0.860 126 T HN 0.982 nan 8.240 nan 0.000 0.449 127 A N 0.781 123.692 122.820 0.152 0.000 2.024 127 A HA -0.178 4.143 4.320 0.001 0.000 0.220 127 A C 1.831 179.566 177.584 0.252 0.000 1.164 127 A CA 1.800 53.957 52.037 0.200 0.000 0.643 127 A CB -0.884 18.217 19.000 0.168 0.000 0.806 127 A HN 0.724 nan 8.150 nan 0.000 0.451 128 H N -1.071 118.168 119.070 0.282 0.000 2.421 128 H HA 0.062 4.618 4.556 0.001 0.000 0.298 128 H C 1.624 177.038 175.328 0.143 0.000 1.087 128 H CA 1.418 57.554 56.048 0.147 0.000 1.330 128 H CB 0.009 29.838 29.762 0.112 0.000 1.388 128 H HN 0.398 nan 8.280 nan 0.000 0.526 129 L N -0.476 120.968 121.223 0.368 0.000 2.609 129 L HA 0.059 4.399 4.340 0.001 0.000 0.230 129 L C 1.945 178.922 176.870 0.178 0.000 1.087 129 L CA 0.507 55.490 54.840 0.237 0.000 0.874 129 L CB 0.207 42.451 42.059 0.308 0.000 1.114 129 L HN 0.399 nan 8.230 nan 0.000 0.488 130 T N -3.934 110.720 114.554 0.166 0.000 3.412 130 T HA -0.089 4.261 4.350 0.001 0.000 0.193 130 T C 1.758 176.457 174.700 -0.001 0.000 0.810 130 T CA 0.964 63.096 62.100 0.054 0.000 1.910 130 T CB -0.802 68.082 68.868 0.025 0.000 1.974 130 T HN 0.161 nan 8.240 nan 0.000 0.443 131 T N -0.412 114.163 114.554 0.035 0.000 2.962 131 T HA -0.066 4.285 4.350 0.001 0.000 0.270 131 T C 0.818 175.446 174.700 -0.119 0.000 1.088 131 T CA 1.221 63.308 62.100 -0.021 0.000 1.127 131 T CB -0.628 68.276 68.868 0.059 0.000 0.883 131 T HN 0.649 nan 8.240 nan 0.000 0.493 132 H N 0.925 120.030 119.070 0.058 0.000 2.528 132 H HA 0.475 5.032 4.556 0.001 0.000 0.256 132 H C -0.542 174.836 175.328 0.082 0.000 1.204 132 H CA -0.916 55.195 56.048 0.105 0.000 0.955 132 H CB -0.126 29.783 29.762 0.244 0.000 1.817 132 H HN 0.215 nan 8.280 nan 0.000 0.579 133 N N 1.419 120.154 118.700 0.057 0.000 2.621 133 N HA 0.109 4.849 4.740 0.001 0.000 0.237 133 N C -0.511 174.961 175.510 -0.064 0.000 0.997 133 N CA -0.649 52.411 53.050 0.017 0.000 0.918 133 N CB 0.552 39.057 38.487 0.029 0.000 1.122 133 N HN 0.297 nan 8.380 nan 0.000 0.510 134 R N 2.225 122.680 120.500 -0.075 0.000 2.590 134 R HA 0.456 4.797 4.340 0.001 0.000 0.274 134 R C -0.613 175.564 176.300 -0.206 0.000 1.061 134 R CA -0.266 55.752 56.100 -0.137 0.000 1.081 134 R CB 0.420 30.644 30.300 -0.128 0.000 0.984 134 R HN 0.543 nan 8.270 nan 0.000 0.448 135 A N 4.091 126.823 122.820 -0.145 0.000 2.317 135 A HA 0.328 4.648 4.320 0.001 0.000 0.327 135 A C -1.236 176.313 177.584 -0.058 0.000 1.178 135 A CA -0.605 51.399 52.037 -0.055 0.000 0.817 135 A CB 0.669 19.706 19.000 0.062 0.000 1.189 135 A HN 0.962 nan 8.150 nan 0.000 0.489 136 H N 2.368 121.465 119.070 0.045 0.000 2.638 136 H HA 0.285 4.842 4.556 0.001 0.000 0.303 136 H C 0.147 175.484 175.328 0.016 0.000 1.034 136 H CA -0.529 55.529 56.048 0.017 0.000 1.225 136 H CB 0.615 30.377 29.762 -0.001 0.000 1.394 136 H HN 0.872 nan 8.280 nan 0.000 0.477 137 N N 3.161 121.941 118.700 0.134 0.000 2.754 137 N HA -0.206 4.535 4.740 0.001 0.000 0.248 137 N C 1.019 176.567 175.510 0.064 0.000 1.093 137 N CA 1.212 54.307 53.050 0.075 0.000 0.699 137 N CB -0.961 37.559 38.487 0.055 0.000 1.016 137 N HN 1.194 nan 8.380 nan 0.000 0.552 138 G N -1.408 107.440 108.800 0.080 0.000 2.241 138 G HA2 -0.279 3.681 3.960 0.001 0.000 0.244 138 G HA3 -0.279 3.681 3.960 0.001 0.000 0.244 138 G C 0.016 174.992 174.900 0.127 0.000 0.998 138 G CA 0.425 45.581 45.100 0.093 0.000 0.621 138 G HN 0.381 nan 8.290 nan 0.000 0.519 139 I N 1.937 122.549 120.570 0.069 0.000 2.321 139 I HA 0.530 4.701 4.170 0.001 0.000 0.291 139 I C 0.498 176.606 176.117 -0.015 0.000 0.998 139 I CA -1.548 59.725 61.300 -0.045 0.000 1.227 139 I CB 0.077 38.033 38.000 -0.073 0.000 1.368 139 I HN 0.321 nan 8.210 nan 0.000 0.466 140 Y N 3.581 123.814 120.300 -0.111 0.000 2.650 140 Y HA 0.640 5.191 4.550 0.001 0.000 0.331 140 Y C 0.262 176.065 175.900 -0.161 0.000 1.082 140 Y CA -1.570 56.434 58.100 -0.161 0.000 1.171 140 Y CB 0.572 38.950 38.460 -0.136 0.000 1.326 140 Y HN 0.295 nan 8.280 nan 0.000 0.513 141 K N 1.633 122.008 120.400 -0.042 0.000 2.518 141 K HA 0.219 4.539 4.320 0.001 0.000 0.276 141 K C -0.559 175.921 176.600 -0.200 0.000 0.974 141 K CA 0.168 56.352 56.287 -0.171 0.000 0.986 141 K CB 0.279 32.650 32.500 -0.214 0.000 0.901 141 K HN 0.879 nan 8.250 nan 0.000 0.497 142 R N 0.377 120.701 120.500 -0.293 0.000 2.728 142 R HA 0.183 4.523 4.340 0.001 0.000 0.274 142 R C -0.539 175.559 176.300 -0.336 0.000 1.032 142 R CA -0.924 54.989 56.100 -0.312 0.000 0.866 142 R CB -0.067 30.097 30.300 -0.227 0.000 1.263 142 R HN 0.291 nan 8.270 nan 0.000 0.475 143 F N 0.720 120.528 119.950 -0.236 0.000 2.123 143 F HA 0.088 4.615 4.527 0.001 0.000 0.289 143 F C 1.586 177.124 175.800 -0.437 0.000 1.099 143 F CA 1.620 59.358 58.000 -0.438 0.000 1.234 143 F CB 0.159 38.567 39.000 -0.986 0.000 1.034 143 F HN 0.767 nan 8.300 nan 0.000 0.479 144 T N -2.653 111.827 114.554 -0.123 0.000 2.883 144 T HA 0.340 4.690 4.350 0.001 0.000 0.284 144 T C -0.108 174.539 174.700 -0.089 0.000 1.041 144 T CA -0.358 61.676 62.100 -0.109 0.000 1.007 144 T CB 1.757 70.594 68.868 -0.052 0.000 1.220 144 T HN 0.111 nan 8.240 nan 0.000 0.552 145 D N -0.218 120.137 120.400 -0.076 0.000 2.368 145 D HA 0.153 4.794 4.640 0.001 0.000 0.218 145 D C 0.369 176.644 176.300 -0.042 0.000 1.112 145 D CA -0.422 53.533 54.000 -0.074 0.000 0.834 145 D CB -0.611 40.144 40.800 -0.076 0.000 0.953 145 D HN 0.491 nan 8.370 nan 0.000 0.505 146 L N 0.900 122.110 121.223 -0.022 0.000 2.462 146 L HA 0.146 4.486 4.340 0.001 0.000 0.272 146 L C -1.153 175.732 176.870 0.025 0.000 1.166 146 L CA -1.272 53.567 54.840 -0.002 0.000 0.880 146 L CB 0.646 42.706 42.059 0.003 0.000 1.142 146 L HN -0.215 nan 8.230 nan 0.000 0.473 147 P HA -0.167 nan 4.420 nan 0.000 0.217 147 P C 0.807 178.164 177.300 0.096 0.000 1.148 147 P CA 1.073 64.204 63.100 0.052 0.000 0.828 147 P CB 0.207 31.936 31.700 0.047 0.000 0.783 148 D N -0.949 119.515 120.400 0.106 0.000 2.183 148 D HA -0.141 4.500 4.640 0.001 0.000 0.203 148 D C 1.893 178.330 176.300 0.229 0.000 0.969 148 D CA 0.842 54.938 54.000 0.161 0.000 0.842 148 D CB -0.110 40.780 40.800 0.151 0.000 0.957 148 D HN 0.333 nan 8.370 nan 0.000 0.484 149 E N 1.221 121.544 120.200 0.205 0.000 2.072 149 E HA -0.186 4.164 4.350 0.001 0.000 0.191 149 E C 2.018 178.798 176.600 0.300 0.000 0.985 149 E CA 0.767 57.339 56.400 0.286 0.000 0.801 149 E CB 0.135 29.959 29.700 0.207 0.000 0.750 149 E HN 0.076 nan 8.360 nan 0.000 0.452 150 K N 0.522 121.034 120.400 0.186 0.000 2.063 150 K HA -0.168 4.153 4.320 0.001 0.000 0.208 150 K C 2.254 178.967 176.600 0.188 0.000 1.048 150 K CA 1.187 57.569 56.287 0.158 0.000 0.928 150 K CB -0.109 32.436 32.500 0.075 0.000 0.713 150 K HN 0.167 nan 8.250 nan 0.000 0.442 151 L N 0.006 121.362 121.223 0.222 0.000 2.093 151 L HA -0.156 4.184 4.340 0.001 0.000 0.208 151 L C 2.411 179.504 176.870 0.371 0.000 1.085 151 L CA 0.943 55.954 54.840 0.286 0.000 0.755 151 L CB -0.445 41.796 42.059 0.303 0.000 0.904 151 L HN 0.200 nan 8.230 nan 0.000 0.435 152 F N 0.259 120.323 119.950 0.190 0.000 2.084 152 F HA -0.180 4.347 4.527 0.001 0.000 0.296 152 F C 2.271 178.182 175.800 0.186 0.000 1.111 152 F CA 1.505 59.606 58.000 0.168 0.000 1.224 152 F CB -0.385 38.743 39.000 0.214 0.000 0.991 152 F HN -0.272 nan 8.300 nan 0.000 0.471 153 V N 0.558 120.615 119.914 0.237 0.000 2.261 153 V HA -0.312 3.808 4.120 0.001 0.000 0.246 153 V C 2.157 178.258 176.094 0.011 0.000 1.047 153 V CA 2.272 64.644 62.300 0.120 0.000 1.015 153 V CB -0.804 31.178 31.823 0.267 0.000 0.642 153 V HN 0.232 nan 8.190 nan 0.000 0.446 154 D N -0.842 119.569 120.400 0.017 0.000 2.116 154 D HA -0.202 4.438 4.640 0.001 0.000 0.193 154 D C 2.015 178.176 176.300 -0.233 0.000 0.998 154 D CA 1.742 55.656 54.000 -0.143 0.000 0.836 154 D CB -0.383 40.282 40.800 -0.225 0.000 0.951 154 D HN 0.553 nan 8.370 nan 0.000 0.449 155 Y N 0.718 120.977 120.300 -0.069 0.000 2.439 155 Y HA 0.035 4.586 4.550 0.001 0.000 0.292 155 Y C 2.094 177.895 175.900 -0.164 0.000 1.130 155 Y CA 0.549 58.579 58.100 -0.117 0.000 1.254 155 Y CB -0.438 37.949 38.460 -0.122 0.000 1.000 155 Y HN 0.061 nan 8.280 nan 0.000 0.554 156 N N -0.974 117.672 118.700 -0.090 0.000 2.135 156 N HA -0.148 4.593 4.740 0.001 0.000 0.186 156 N C 1.565 176.993 175.510 -0.137 0.000 1.027 156 N CA 1.595 54.541 53.050 -0.172 0.000 0.849 156 N CB -0.055 38.230 38.487 -0.336 0.000 1.002 156 N HN 0.213 nan 8.380 nan 0.000 0.425 157 T N 1.481 115.956 114.554 -0.131 0.000 2.684 157 T HA -0.131 4.219 4.350 0.001 0.000 0.267 157 T C 1.679 176.299 174.700 -0.135 0.000 1.036 157 T CA 1.193 63.210 62.100 -0.139 0.000 1.148 157 T CB -0.127 68.654 68.868 -0.145 0.000 0.863 157 T HN 0.257 nan 8.240 nan 0.000 0.436 158 K N 0.566 120.896 120.400 -0.117 0.000 2.057 158 K HA -0.021 4.300 4.320 0.001 0.000 0.207 158 K C 2.683 179.237 176.600 -0.077 0.000 1.049 158 K CA 1.226 57.458 56.287 -0.092 0.000 0.931 158 K CB -0.481 31.979 32.500 -0.067 0.000 0.714 158 K HN 0.391 nan 8.250 nan 0.000 0.440 159 G N 1.457 110.218 108.800 -0.066 0.000 2.402 159 G HA2 -0.202 3.758 3.960 0.001 0.000 0.216 159 G HA3 -0.202 3.758 3.960 0.001 0.000 0.216 159 G C 1.525 176.409 174.900 -0.027 0.000 1.162 159 G CA 0.516 45.573 45.100 -0.072 0.000 0.777 159 G HN 0.117 nan 8.290 nan 0.000 0.539 160 I N 0.377 120.881 120.570 -0.109 0.000 2.179 160 I HA -0.121 4.050 4.170 0.001 0.000 0.242 160 I C 2.668 178.700 176.117 -0.142 0.000 1.088 160 I CA 0.724 61.831 61.300 -0.321 0.000 1.357 160 I CB -0.170 37.478 38.000 -0.587 0.000 1.051 160 I HN 0.119 nan 8.210 nan 0.000 0.409 161 L N 0.359 121.518 121.223 -0.107 0.000 2.131 161 L HA -0.182 4.159 4.340 0.001 0.000 0.210 161 L C 2.808 179.679 176.870 0.001 0.000 1.092 161 L CA 1.160 55.970 54.840 -0.049 0.000 0.759 161 L CB -0.722 41.295 42.059 -0.071 0.000 0.903 161 L HN 0.244 nan 8.230 nan 0.000 0.435 162 A N -0.758 122.047 122.820 -0.024 0.000 1.898 162 A HA -0.223 4.098 4.320 0.001 0.000 0.216 162 A C 2.040 179.639 177.584 0.026 0.000 1.181 162 A CA 1.266 53.276 52.037 -0.045 0.000 0.620 162 A CB -0.759 18.160 19.000 -0.134 0.000 0.819 162 A HN 0.321 nan 8.150 nan 0.000 0.442 163 Y N 0.478 120.839 120.300 0.101 0.000 2.274 163 Y HA -0.144 4.407 4.550 0.001 0.000 0.290 163 Y C 2.365 178.378 175.900 0.189 0.000 1.145 163 Y CA 1.626 59.845 58.100 0.198 0.000 1.203 163 Y CB -0.145 38.574 38.460 0.431 0.000 0.984 163 Y HN 0.300 nan 8.280 nan 0.000 0.533 164 K N -0.405 120.193 120.400 0.330 0.000 2.103 164 K HA -0.107 4.214 4.320 0.001 0.000 0.204 164 K C 2.149 178.824 176.600 0.126 0.000 1.052 164 K CA 0.993 57.412 56.287 0.220 0.000 0.945 164 K CB -0.134 32.461 32.500 0.159 0.000 0.722 164 K HN 0.254 nan 8.250 nan 0.000 0.443 165 R N 0.488 121.041 120.500 0.088 0.000 2.120 165 R HA -0.088 4.253 4.340 0.001 0.000 0.234 165 R C 2.334 178.664 176.300 0.051 0.000 1.123 165 R CA 1.202 57.331 56.100 0.047 0.000 0.975 165 R CB -0.293 30.018 30.300 0.019 0.000 0.866 165 R HN 0.173 nan 8.270 nan 0.000 0.446 166 A N 1.142 124.008 122.820 0.077 0.000 1.873 166 A HA -0.169 4.151 4.320 0.001 0.000 0.215 166 A C 2.270 179.892 177.584 0.062 0.000 1.186 166 A CA 1.782 53.860 52.037 0.068 0.000 0.616 166 A CB -0.576 18.483 19.000 0.099 0.000 0.823 166 A HN 0.420 nan 8.150 nan 0.000 0.442 167 S N 0.331 116.084 115.700 0.088 0.000 2.382 167 S HA -0.193 4.277 4.470 0.001 0.000 0.228 167 S C 1.398 176.019 174.600 0.035 0.000 1.027 167 S CA 1.557 59.787 58.200 0.051 0.000 0.991 167 S CB -0.582 62.652 63.200 0.057 0.000 0.823 167 S HN 0.476 nan 8.310 nan 0.000 0.469 168 D N 2.539 122.964 120.400 0.042 0.000 2.117 168 D HA 0.046 4.687 4.640 0.001 0.000 0.197 168 D C 2.286 178.593 176.300 0.012 0.000 0.987 168 D CA 1.561 55.576 54.000 0.024 0.000 0.829 168 D CB -0.735 40.080 40.800 0.025 0.000 0.961 168 D HN 0.573 nan 8.370 nan 0.000 0.460 169 A N 0.301 123.130 122.820 0.015 0.000 1.898 169 A HA -0.106 4.215 4.320 0.001 0.000 0.216 169 A C 2.059 179.648 177.584 0.008 0.000 1.181 169 A CA 0.778 52.820 52.037 0.008 0.000 0.620 169 A CB -0.551 18.455 19.000 0.010 0.000 0.819 169 A HN 0.131 nan 8.150 nan 0.000 0.442 170 L N -0.187 121.045 121.223 0.015 0.000 2.046 170 L HA -0.109 4.232 4.340 0.001 0.000 0.208 170 L C 2.452 179.326 176.870 0.006 0.000 1.077 170 L CA 1.430 56.282 54.840 0.020 0.000 0.747 170 L CB -0.921 41.150 42.059 0.021 0.000 0.896 170 L HN 0.382 nan 8.230 nan 0.000 0.432 171 L N -0.985 120.238 121.223 -0.000 0.000 2.083 171 L HA -0.230 4.110 4.340 0.001 0.000 0.209 171 L C 2.156 179.013 176.870 -0.022 0.000 1.083 171 L CA 1.100 55.934 54.840 -0.010 0.000 0.752 171 L CB -0.506 41.549 42.059 -0.007 0.000 0.899 171 L HN 0.216 nan 8.230 nan 0.000 0.433 172 K N 0.039 120.425 120.400 -0.023 0.000 2.574 172 K HA -0.027 4.293 4.320 0.001 0.000 0.193 172 K C 1.762 178.327 176.600 -0.058 0.000 1.035 172 K CA 0.642 56.905 56.287 -0.039 0.000 0.982 172 K CB 0.029 32.507 32.500 -0.036 0.000 0.795 172 K HN 0.374 nan 8.250 nan 0.000 0.491 173 I N 0.382 120.924 120.570 -0.046 0.000 2.703 173 I HA -0.188 3.982 4.170 0.001 0.000 0.259 173 I C 2.614 178.686 176.117 -0.075 0.000 1.151 173 I CA 0.418 61.682 61.300 -0.060 0.000 1.470 173 I CB -0.068 37.915 38.000 -0.029 0.000 1.112 173 I HN 0.226 nan 8.210 nan 0.000 0.437 174 Q N 1.996 121.759 119.800 -0.060 0.000 2.096 174 Q HA -0.211 4.130 4.340 0.001 0.000 0.208 174 Q C -0.548 175.410 176.000 -0.070 0.000 0.993 174 Q CA 2.179 57.944 55.803 -0.063 0.000 0.862 174 Q CB -1.028 27.683 28.738 -0.046 0.000 0.915 174 Q HN 0.363 nan 8.270 nan 0.000 0.416 175 P HA -0.012 nan 4.420 nan 0.000 0.235 175 P C 1.276 178.526 177.300 -0.084 0.000 1.177 175 P CA 0.666 63.724 63.100 -0.070 0.000 0.785 175 P CB 0.026 31.688 31.700 -0.063 0.000 0.885 176 L N -1.180 119.971 121.223 -0.119 0.000 2.168 176 L HA 0.291 4.632 4.340 0.001 0.000 0.203 176 L C 1.157 177.991 176.870 -0.061 0.000 1.078 176 L CA 0.857 55.606 54.840 -0.151 0.000 0.780 176 L CB -0.964 40.893 42.059 -0.337 0.000 0.939 176 L HN 0.088 nan 8.230 nan 0.000 0.451 177 G N 0.332 109.070 108.800 -0.103 0.000 2.675 177 G HA2 -0.191 3.769 3.960 0.001 0.000 0.686 177 G HA3 -0.191 3.769 3.960 0.001 0.000 0.686 177 G C 0.293 175.080 174.900 -0.187 0.000 1.215 177 G CA -0.201 44.807 45.100 -0.152 0.000 0.777 177 G HN 0.331 nan 8.290 nan 0.000 0.638 178 I N -0.782 119.604 120.570 -0.306 0.000 2.700 178 I HA 0.038 4.209 4.170 0.001 0.000 0.261 178 I C 2.051 178.003 176.117 -0.276 0.000 1.219 178 I CA 1.943 63.028 61.300 -0.357 0.000 1.463 178 I CB -0.248 37.256 38.000 -0.828 0.000 1.092 178 I HN 0.721 nan 8.210 nan 0.000 0.452 179 S N -1.112 114.250 115.700 -0.565 0.000 2.535 179 S HA 0.029 4.499 4.470 0.001 0.000 0.214 179 S C 0.772 175.120 174.600 -0.420 0.000 0.980 179 S CA -0.337 57.276 58.200 -0.979 0.000 0.907 179 S CB -0.756 61.200 63.200 -2.073 0.000 0.790 179 S HN 0.665 nan 8.310 nan 0.000 0.510 180 H N 3.694 122.600 119.070 -0.272 0.000 2.848 180 H HA 0.214 4.770 4.556 0.001 0.000 0.341 180 H C -1.272 174.046 175.328 -0.018 0.000 1.060 180 H CA -1.168 54.799 56.048 -0.135 0.000 1.444 180 H CB 1.093 30.792 29.762 -0.104 0.000 1.446 180 H HN 0.031 nan 8.280 nan 0.000 0.583 181 P HA -0.190 nan 4.420 nan 0.000 0.218 181 P C 1.252 178.719 177.300 0.279 0.000 1.149 181 P CA 0.997 64.212 63.100 0.193 0.000 0.817 181 P CB 0.378 32.126 31.700 0.081 0.000 0.785 182 I N 0.150 120.970 120.570 0.417 0.000 2.493 182 I HA -0.105 4.066 4.170 0.001 0.000 0.254 182 I C 2.171 178.352 176.117 0.107 0.000 1.160 182 I CA 1.148 62.554 61.300 0.176 0.000 1.445 182 I CB -1.659 36.335 38.000 -0.010 0.000 1.086 182 I HN -0.040 nan 8.210 nan 0.000 0.433 183 S N -0.514 115.260 115.700 0.123 0.000 2.419 183 S HA -0.198 4.272 4.470 0.001 0.000 0.233 183 S C 1.973 176.661 174.600 0.146 0.000 1.016 183 S CA 0.802 59.058 58.200 0.093 0.000 0.974 183 S CB -0.506 62.748 63.200 0.089 0.000 0.786 183 S HN 0.509 nan 8.310 nan 0.000 0.492 184 H N 1.832 120.973 119.070 0.118 0.000 2.321 184 H HA -0.090 4.467 4.556 0.001 0.000 0.300 184 H C 1.510 176.888 175.328 0.083 0.000 1.087 184 H CA 1.725 57.843 56.048 0.117 0.000 1.319 184 H CB -0.246 29.589 29.762 0.121 0.000 1.379 184 H HN 0.413 nan 8.280 nan 0.000 0.501 185 D N 0.683 121.186 120.400 0.172 0.000 2.123 185 D HA -0.159 4.481 4.640 0.001 0.000 0.196 185 D C 2.527 178.842 176.300 0.024 0.000 0.992 185 D CA 1.025 55.081 54.000 0.094 0.000 0.833 185 D CB -0.070 40.789 40.800 0.097 0.000 0.954 185 D HN 0.386 nan 8.370 nan 0.000 0.455 186 L N 0.386 121.624 121.223 0.025 0.000 2.046 186 L HA -0.191 4.150 4.340 0.001 0.000 0.208 186 L C 2.505 179.376 176.870 0.001 0.000 1.077 186 L CA 0.409 55.255 54.840 0.009 0.000 0.747 186 L CB -0.296 41.767 42.059 0.007 0.000 0.896 186 L HN 0.050 nan 8.230 nan 0.000 0.432 187 L N -0.071 121.148 121.223 -0.006 0.000 2.083 187 L HA -0.196 4.145 4.340 0.001 0.000 0.209 187 L C 2.717 179.546 176.870 -0.068 0.000 1.083 187 L CA 1.638 56.467 54.840 -0.019 0.000 0.752 187 L CB -0.855 41.190 42.059 -0.024 0.000 0.899 187 L HN 0.210 nan 8.230 nan 0.000 0.433 188 R N -1.128 119.309 120.500 -0.105 0.000 2.073 188 R HA -0.095 4.246 4.340 0.001 0.000 0.229 188 R C 2.121 178.400 176.300 -0.036 0.000 1.120 188 R CA 1.339 57.388 56.100 -0.085 0.000 0.967 188 R CB -0.139 30.116 30.300 -0.075 0.000 0.862 188 R HN 0.208 nan 8.270 nan 0.000 0.436 189 V N 0.787 120.689 119.914 -0.020 0.000 2.407 189 V HA -0.217 3.904 4.120 0.001 0.000 0.248 189 V C 2.108 178.196 176.094 -0.010 0.000 1.055 189 V CA 2.262 64.557 62.300 -0.009 0.000 1.049 189 V CB -0.464 31.358 31.823 -0.001 0.000 0.662 189 V HN 0.485 nan 8.190 nan 0.000 0.455 190 T N -0.640 113.908 114.554 -0.009 0.000 2.821 190 T HA -0.211 4.140 4.350 0.001 0.000 0.267 190 T C 1.947 176.638 174.700 -0.015 0.000 1.046 190 T CA 1.605 63.702 62.100 -0.004 0.000 1.139 190 T CB -0.151 68.719 68.868 0.002 0.000 0.871 190 T HN 0.449 nan 8.240 nan 0.000 0.454 191 K N 0.676 121.060 120.400 -0.027 0.000 2.026 191 K HA -0.190 4.131 4.320 0.001 0.000 0.208 191 K C 2.510 179.092 176.600 -0.029 0.000 1.048 191 K CA 1.386 57.654 56.287 -0.033 0.000 0.929 191 K CB -0.102 32.373 32.500 -0.043 0.000 0.713 191 K HN 0.098 nan 8.250 nan 0.000 0.439 192 Q N 0.646 120.431 119.800 -0.026 0.000 2.084 192 Q HA -0.094 4.247 4.340 0.001 0.000 0.202 192 Q C 1.725 177.704 176.000 -0.034 0.000 0.978 192 Q CA 2.130 57.917 55.803 -0.025 0.000 0.844 192 Q CB -0.446 28.281 28.738 -0.018 0.000 0.898 192 Q HN 0.398 nan 8.270 nan 0.000 0.426 193 A N -0.299 122.502 122.820 -0.031 0.000 1.933 193 A HA -0.123 4.197 4.320 0.001 0.000 0.218 193 A C 1.913 179.449 177.584 -0.081 0.000 1.175 193 A CA 1.376 53.387 52.037 -0.043 0.000 0.628 193 A CB -0.609 18.381 19.000 -0.018 0.000 0.814 193 A HN 0.421 nan 8.150 nan 0.000 0.444 194 L N -0.188 120.998 121.223 -0.062 0.000 2.156 194 L HA -0.122 4.218 4.340 0.001 0.000 0.208 194 L C 2.571 179.388 176.870 -0.087 0.000 1.095 194 L CA 1.715 56.508 54.840 -0.079 0.000 0.770 194 L CB -0.809 41.244 42.059 -0.009 0.000 0.914 194 L HN 0.485 nan 8.230 nan 0.000 0.439 195 Q N -0.982 118.781 119.800 -0.061 0.000 2.172 195 Q HA -0.170 4.171 4.340 0.001 0.000 0.200 195 Q C 1.533 177.492 176.000 -0.068 0.000 0.964 195 Q CA 1.261 57.033 55.803 -0.052 0.000 0.855 195 Q CB -0.045 28.671 28.738 -0.035 0.000 0.918 195 Q HN 0.461 nan 8.270 nan 0.000 0.444 196 D N 0.198 120.551 120.400 -0.078 0.000 2.178 196 D HA -0.113 4.527 4.640 0.001 0.000 0.201 196 D C 1.925 178.156 176.300 -0.115 0.000 0.980 196 D CA 0.755 54.707 54.000 -0.079 0.000 0.842 196 D CB -0.050 40.707 40.800 -0.072 0.000 0.948 196 D HN 0.036 nan 8.370 nan 0.000 0.472 197 V N 1.353 121.159 119.914 -0.180 0.000 2.307 197 V HA -0.201 3.919 4.120 0.001 0.000 0.245 197 V C 2.450 178.449 176.094 -0.159 0.000 1.045 197 V CA 0.900 63.048 62.300 -0.253 0.000 1.024 197 V CB -0.207 31.315 31.823 -0.503 0.000 0.651 197 V HN 0.170 nan 8.190 nan 0.000 0.449 198 I N 0.439 120.944 120.570 -0.109 0.000 2.127 198 I HA -0.243 3.928 4.170 0.001 0.000 0.241 198 I C 2.640 178.710 176.117 -0.077 0.000 1.075 198 I CA 2.216 63.483 61.300 -0.056 0.000 1.334 198 I CB -1.129 36.853 38.000 -0.029 0.000 1.040 198 I HN 0.462 nan 8.210 nan 0.000 0.405 199 E N 0.831 120.984 120.200 -0.079 0.000 2.051 199 E HA -0.197 4.154 4.350 0.001 0.000 0.192 199 E C 2.389 178.910 176.600 -0.132 0.000 0.991 199 E CA 1.958 58.309 56.400 -0.082 0.000 0.799 199 E CB -0.313 29.356 29.700 -0.051 0.000 0.748 199 E HN 0.235 nan 8.360 nan 0.000 0.449 200 S N -0.278 115.351 115.700 -0.119 0.000 2.359 200 S HA -0.159 4.312 4.470 0.001 0.000 0.224 200 S C 1.762 176.155 174.600 -0.345 0.000 1.035 200 S CA 1.516 59.650 58.200 -0.110 0.000 1.018 200 S CB -0.466 62.712 63.200 -0.036 0.000 0.876 200 S HN 0.359 nan 8.310 nan 0.000 0.448 201 N N 0.859 119.330 118.700 -0.382 0.000 2.142 201 N HA -0.091 4.650 4.740 0.001 0.000 0.186 201 N C 1.869 176.692 175.510 -1.144 0.000 1.023 201 N CA 1.183 53.760 53.050 -0.787 0.000 0.852 201 N CB -0.776 37.444 38.487 -0.446 0.000 0.998 201 N HN 0.441 nan 8.380 nan 0.000 0.424 202 Q N 1.172 120.676 119.800 -0.493 0.000 2.096 202 Q HA -0.124 4.216 4.340 0.001 0.000 0.204 202 Q C 1.867 177.669 176.000 -0.330 0.000 0.982 202 Q CA 1.503 57.167 55.803 -0.231 0.000 0.850 202 Q CB -0.133 28.561 28.738 -0.074 0.000 0.901 202 Q HN 0.275 nan 8.270 nan 0.000 0.422 203 Q N -0.353 119.185 119.800 -0.438 0.000 2.061 203 Q HA -0.172 4.168 4.340 0.001 0.000 0.204 203 Q C 2.137 177.718 176.000 -0.697 0.000 0.984 203 Q CA 1.435 56.933 55.803 -0.507 0.000 0.846 203 Q CB -0.568 27.817 28.738 -0.589 0.000 0.902 203 Q HN 0.422 nan 8.270 nan 0.000 0.421 204 L N 0.140 120.757 121.223 -1.011 0.000 2.046 204 L HA -0.137 4.203 4.340 0.001 0.000 0.208 204 L C 1.970 178.693 176.870 -0.245 0.000 1.077 204 L CA 1.647 56.057 54.840 -0.715 0.000 0.747 204 L CB -0.635 41.044 42.059 -0.633 0.000 0.896 204 L HN 0.014 nan 8.230 nan 0.000 0.432 205 F N -0.147 119.717 119.950 -0.144 0.000 2.365 205 F HA -0.052 4.476 4.527 0.001 0.000 0.300 205 F C 1.982 177.750 175.800 -0.053 0.000 1.090 205 F CA 0.885 58.843 58.000 -0.070 0.000 1.408 205 F CB -1.339 37.628 39.000 -0.055 0.000 1.060 205 F HN 0.315 nan 8.300 nan 0.000 0.534 206 N N -0.503 118.237 118.700 0.067 0.000 2.230 206 N HA 0.123 4.864 4.740 0.001 0.000 0.202 206 N C 1.137 176.663 175.510 0.026 0.000 1.119 206 N CA -0.052 53.023 53.050 0.042 0.000 0.851 206 N CB 0.302 38.797 38.487 0.013 0.000 0.990 206 N HN 0.212 nan 8.380 nan 0.000 0.497 207 R N -0.366 120.146 120.500 0.019 0.000 2.568 207 R HA 0.196 4.536 4.340 0.001 0.000 0.254 207 R C -0.461 175.891 176.300 0.087 0.000 0.925 207 R CA -0.366 55.764 56.100 0.049 0.000 1.025 207 R CB 0.585 30.914 30.300 0.048 0.000 1.428 207 R HN -0.009 nan 8.270 nan 0.000 0.573 208 L N 2.357 123.635 121.223 0.092 0.000 2.380 208 L HA 0.193 4.534 4.340 0.001 0.000 0.273 208 L C -0.329 176.624 176.870 0.139 0.000 1.138 208 L CA 0.025 54.936 54.840 0.118 0.000 0.832 208 L CB 0.847 42.961 42.059 0.092 0.000 1.124 208 L HN -0.068 nan 8.230 nan 0.000 0.454 209 D N 2.697 123.191 120.400 0.157 0.000 2.393 209 D HA 0.036 4.677 4.640 0.001 0.000 0.232 209 D C 1.250 177.691 176.300 0.235 0.000 1.192 209 D CA 0.466 54.573 54.000 0.177 0.000 0.882 209 D CB 1.078 41.978 40.800 0.165 0.000 1.038 209 D HN 0.798 nan 8.370 nan 0.000 0.499 210 T N 1.151 115.856 114.554 0.252 0.000 2.714 210 T HA -0.284 4.066 4.350 0.001 0.000 0.268 210 T C 1.170 176.077 174.700 0.345 0.000 1.036 210 T CA 1.628 63.940 62.100 0.355 0.000 1.148 210 T CB -0.093 68.957 68.868 0.304 0.000 0.856 210 T HN 0.277 nan 8.240 nan 0.000 0.462 211 D N 0.357 120.944 120.400 0.312 0.000 2.120 211 D HA 0.080 4.721 4.640 0.001 0.000 0.202 211 D C 2.572 179.156 176.300 0.473 0.000 0.972 211 D CA 0.431 54.677 54.000 0.409 0.000 0.837 211 D CB -0.061 40.995 40.800 0.427 0.000 0.989 211 D HN 0.084 nan 8.370 nan 0.000 0.469 212 R N -0.089 120.615 120.500 0.340 0.000 2.120 212 R HA -0.091 4.249 4.340 0.001 0.000 0.234 212 R C 2.091 178.473 176.300 0.136 0.000 1.123 212 R CA 0.588 56.786 56.100 0.164 0.000 0.975 212 R CB -0.728 29.613 30.300 0.069 0.000 0.866 212 R HN 0.337 nan 8.270 nan 0.000 0.446 213 F N -0.259 119.689 119.950 -0.003 0.000 2.187 213 F HA -0.123 4.404 4.527 0.001 0.000 0.295 213 F C 2.028 177.669 175.800 -0.264 0.000 1.091 213 F CA 0.906 58.800 58.000 -0.176 0.000 1.308 213 F CB -0.320 38.510 39.000 -0.283 0.000 1.030 213 F HN -0.067 nan 8.300 nan 0.000 0.487 214 F N -0.415 119.206 119.950 -0.548 0.000 2.325 214 F HA -0.121 4.406 4.527 0.001 0.000 0.299 214 F C 1.170 176.581 175.800 -0.649 0.000 1.090 214 F CA 1.525 59.073 58.000 -0.753 0.000 1.392 214 F CB -0.400 38.255 39.000 -0.576 0.000 1.053 214 F HN 0.044 nan 8.300 nan 0.000 0.521 215 Y N -2.646 117.672 120.300 0.030 0.000 2.535 215 Y HA 0.080 4.630 4.550 0.001 0.000 0.266 215 Y C 2.030 177.886 175.900 -0.073 0.000 1.088 215 Y CA 0.391 58.509 58.100 0.031 0.000 1.285 215 Y CB -0.073 38.571 38.460 0.305 0.000 1.166 215 Y HN 0.018 nan 8.280 nan 0.000 0.525 216 C N -1.789 117.536 119.300 0.040 0.000 3.230 216 C HA 0.289 4.749 4.460 0.001 0.000 0.300 216 C C 1.862 176.892 174.990 0.067 0.000 1.292 216 C CA -0.240 58.803 59.018 0.041 0.000 1.707 216 C CB -0.269 27.467 27.740 -0.007 0.000 2.181 216 C HN 0.260 nan 8.230 nan 0.000 0.655 217 V N 0.193 120.040 119.914 -0.111 0.000 2.950 217 V HA 0.110 4.231 4.120 0.001 0.000 0.231 217 V C 2.500 178.514 176.094 -0.133 0.000 1.205 217 V CA 0.519 62.797 62.300 -0.036 0.000 1.239 217 V CB -0.700 31.083 31.823 -0.066 0.000 1.050 217 V HN 0.251 nan 8.190 nan 0.000 0.498 218 R N 1.233 121.292 120.500 -0.735 0.000 2.103 218 R HA -0.135 4.205 4.340 0.001 0.000 0.242 218 R C -0.302 175.837 176.300 -0.268 0.000 1.142 218 R CA 2.261 57.983 56.100 -0.630 0.000 0.960 218 R CB -1.440 28.217 30.300 -1.072 0.000 0.858 218 R HN 0.449 nan 8.270 nan 0.000 0.439 219 P HA -0.168 nan 4.420 nan 0.000 0.224 219 P C 0.351 177.370 177.300 -0.469 0.000 1.142 219 P CA 1.343 64.179 63.100 -0.440 0.000 0.778 219 P CB -0.211 31.162 31.700 -0.545 0.000 0.764 220 Y N -2.380 117.748 120.300 -0.288 0.000 2.523 220 Y HA 0.068 4.618 4.550 0.001 0.000 0.279 220 Y C 1.395 177.133 175.900 -0.271 0.000 1.139 220 Y CA 0.538 58.319 58.100 -0.531 0.000 1.296 220 Y CB -0.497 37.293 38.460 -1.117 0.000 1.045 220 Y HN -0.075 nan 8.280 nan 0.000 0.538 221 Y N 0.224 120.606 120.300 0.137 0.000 2.683 221 Y HA 0.226 4.777 4.550 0.001 0.000 0.297 221 Y C 0.449 176.426 175.900 0.128 0.000 1.147 221 Y CA -0.678 57.574 58.100 0.253 0.000 1.274 221 Y CB -0.172 38.435 38.460 0.246 0.000 1.143 221 Y HN -0.210 nan 8.280 nan 0.000 0.527 222 K N 0.941 121.443 120.400 0.170 0.000 2.098 222 K HA 0.317 4.638 4.320 0.001 0.000 0.257 222 K C -2.618 174.078 176.600 0.160 0.000 0.999 222 K CA -1.820 54.531 56.287 0.107 0.000 0.924 222 K CB 0.423 32.928 32.500 0.009 0.000 1.028 222 K HN -0.090 nan 8.250 nan 0.000 0.466 223 P HA 0.081 nan 4.420 nan 0.000 0.275 223 P C -1.509 175.887 177.300 0.160 0.000 1.227 223 P CA 0.004 63.145 63.100 0.069 0.000 0.781 223 P CB 0.339 32.065 31.700 0.044 0.000 0.906 224 Y N -1.061 119.319 120.300 0.134 0.000 2.625 224 Y HA 0.625 5.176 4.550 0.001 0.000 0.338 224 Y C -0.571 175.428 175.900 0.165 0.000 1.123 224 Y CA -1.659 56.509 58.100 0.114 0.000 1.046 224 Y CB 1.106 39.624 38.460 0.097 0.000 1.299 224 Y HN 0.094 nan 8.280 nan 0.000 0.464 225 R N 1.088 121.828 120.500 0.400 0.000 2.410 225 R HA 0.692 5.032 4.340 0.001 0.000 0.288 225 R C -1.438 175.117 176.300 0.426 0.000 1.051 225 R CA -0.935 55.355 56.100 0.317 0.000 1.021 225 R CB 1.628 32.037 30.300 0.183 0.000 1.032 225 R HN 0.587 nan 8.270 nan 0.000 0.481 226 V N 3.258 123.435 119.914 0.439 0.000 2.357 226 V HA 0.439 4.560 4.120 0.001 0.000 0.281 226 V C 0.766 177.045 176.094 0.308 0.000 1.015 226 V CA 0.076 62.600 62.300 0.374 0.000 0.827 226 V CB 0.705 32.717 31.823 0.315 0.000 1.018 226 V HN 1.149 nan 8.190 nan 0.000 0.432 227 G N 5.093 114.013 108.800 0.201 0.000 2.514 227 G HA2 -0.269 3.692 3.960 0.001 0.000 0.265 227 G HA3 -0.269 3.692 3.960 0.001 0.000 0.265 227 G C 0.910 175.887 174.900 0.128 0.000 1.150 227 G CA 0.725 45.913 45.100 0.148 0.000 0.959 227 G HN 1.526 nan 8.290 nan 0.000 0.556 228 S N -0.736 115.026 115.700 0.103 0.000 2.540 228 S HA 0.565 5.036 4.470 0.001 0.000 0.218 228 S C 0.689 175.307 174.600 0.030 0.000 0.977 228 S CA 0.918 59.156 58.200 0.063 0.000 0.918 228 S CB 0.573 63.800 63.200 0.044 0.000 0.806 228 S HN 1.262 nan 8.310 nan 0.000 0.496 229 V N 2.308 122.238 119.914 0.026 0.000 2.539 229 V HA 0.445 4.565 4.120 0.001 0.000 0.292 229 V C -0.055 175.886 176.094 -0.255 0.000 1.045 229 V CA -0.798 61.407 62.300 -0.158 0.000 0.945 229 V CB 1.685 33.340 31.823 -0.279 0.000 0.993 229 V HN 0.274 nan 8.190 nan 0.000 0.464 230 V N 4.748 124.471 119.914 -0.318 0.000 2.407 230 V HA 0.356 4.477 4.120 0.001 0.000 0.278 230 V C -0.908 174.957 176.094 -0.382 0.000 1.037 230 V CA -0.478 61.697 62.300 -0.209 0.000 0.900 230 V CB 0.702 32.469 31.823 -0.093 0.000 0.983 230 V HN 0.717 nan 8.190 nan 0.000 0.459 231 Y N 4.523 124.816 120.300 -0.012 0.000 2.334 231 Y HA 0.594 5.144 4.550 0.001 0.000 0.336 231 Y C 0.686 176.572 175.900 -0.022 0.000 0.960 231 Y CA -1.294 56.810 58.100 0.008 0.000 1.164 231 Y CB 1.135 39.565 38.460 -0.051 0.000 1.155 231 Y HN 0.748 nan 8.280 nan 0.000 0.478 232 R N 1.230 121.826 120.500 0.159 0.000 2.905 232 R HA 0.415 4.756 4.340 0.001 0.000 0.273 232 R C 0.510 176.886 176.300 0.127 0.000 1.033 232 R CA -0.172 55.972 56.100 0.073 0.000 1.182 232 R CB -0.208 30.079 30.300 -0.021 0.000 1.097 232 R HN 0.714 nan 8.270 nan 0.000 0.504 233 G N -0.715 108.144 108.800 0.098 0.000 2.503 233 G HA2 0.463 4.423 3.960 0.001 0.000 0.257 233 G HA3 0.463 4.423 3.960 0.001 0.000 0.257 233 G C -0.520 174.480 174.900 0.167 0.000 1.214 233 G CA -0.525 44.669 45.100 0.157 0.000 0.839 233 G HN 0.854 nan 8.290 nan 0.000 0.559 234 A N 1.395 124.310 122.820 0.157 0.000 2.498 234 A HA 0.345 4.666 4.320 0.001 0.000 0.239 234 A C 0.571 178.284 177.584 0.214 0.000 1.068 234 A CA 0.035 52.161 52.037 0.149 0.000 0.766 234 A CB 0.028 18.951 19.000 -0.128 0.000 1.003 234 A HN 0.806 nan 8.150 nan 0.000 0.497 235 N N 0.365 119.160 118.700 0.158 0.000 2.402 235 N HA 0.520 5.261 4.740 0.001 0.000 0.294 235 N C 0.905 176.523 175.510 0.180 0.000 1.203 235 N CA -0.318 52.829 53.050 0.161 0.000 0.838 235 N CB 1.666 40.214 38.487 0.101 0.000 1.306 235 N HN 0.633 nan 8.380 nan 0.000 0.510 236 A N 0.376 123.309 122.820 0.189 0.000 2.015 236 A HA 0.007 4.327 4.320 0.001 0.000 0.219 236 A C 1.741 179.493 177.584 0.280 0.000 1.163 236 A CA 1.492 53.626 52.037 0.161 0.000 0.646 236 A CB -0.755 18.331 19.000 0.144 0.000 0.806 236 A HN 0.762 nan 8.150 nan 0.000 0.448 237 G N -0.875 108.068 108.800 0.238 0.000 3.181 237 G HA2 0.169 4.129 3.960 0.001 0.000 0.219 237 G HA3 0.169 4.129 3.960 0.001 0.000 0.219 237 G C -0.245 174.750 174.900 0.159 0.000 1.182 237 G CA 0.007 45.221 45.100 0.189 0.000 0.791 237 G HN 0.276 nan 8.290 nan 0.000 0.537 238 D N 1.196 121.775 120.400 0.300 0.000 2.688 238 D HA 0.328 4.969 4.640 0.001 0.000 0.228 238 D C -0.312 176.225 176.300 0.395 0.000 1.116 238 D CA 0.111 54.257 54.000 0.243 0.000 1.023 238 D CB -0.419 40.516 40.800 0.225 0.000 1.100 238 D HN 0.367 nan 8.370 nan 0.000 0.487 239 F N -2.618 117.335 119.950 0.005 0.000 2.741 239 F HA 0.581 5.109 4.527 0.001 0.000 0.311 239 F C 0.721 176.519 175.800 -0.004 0.000 1.149 239 F CA -1.482 56.526 58.000 0.014 0.000 0.930 239 F CB 0.406 39.421 39.000 0.024 0.000 1.312 239 F HN -0.161 nan 8.300 nan 0.000 0.450 240 A N 1.788 124.616 122.820 0.013 0.000 1.858 240 A HA 0.200 4.521 4.320 0.001 0.000 0.216 240 A C 2.192 179.619 177.584 -0.261 0.000 1.190 240 A CA 2.414 54.397 52.037 -0.090 0.000 0.617 240 A CB -1.675 17.343 19.000 0.031 0.000 0.827 240 A HN 1.610 nan 8.150 nan 0.000 0.443 241 G N 0.166 108.881 108.800 -0.141 0.000 2.833 241 G HA2 -0.409 3.552 3.960 0.001 0.000 0.226 241 G HA3 -0.409 3.552 3.960 0.001 0.000 0.226 241 G C 1.580 176.256 174.900 -0.374 0.000 1.228 241 G CA 1.494 46.533 45.100 -0.103 0.000 0.779 241 G HN 0.621 nan 8.290 nan 0.000 0.651 242 I N 0.834 120.842 120.570 -0.937 0.000 2.335 242 I HA -0.188 3.983 4.170 0.001 0.000 0.251 242 I C 2.319 178.195 176.117 -0.403 0.000 1.129 242 I CA 1.544 62.380 61.300 -0.772 0.000 1.402 242 I CB -0.147 37.223 38.000 -1.050 0.000 1.069 242 I HN 0.198 nan 8.210 nan 0.000 0.424 243 N N 0.049 118.513 118.700 -0.392 0.000 2.250 243 N HA -0.097 4.644 4.740 0.001 0.000 0.181 243 N C 1.858 177.314 175.510 -0.091 0.000 1.017 243 N CA 1.143 54.089 53.050 -0.173 0.000 0.866 243 N CB -0.114 38.265 38.487 -0.181 0.000 0.985 243 N HN 0.252 nan 8.380 nan 0.000 0.429 244 V N 2.353 122.196 119.914 -0.117 0.000 2.332 244 V HA -0.189 3.932 4.120 0.001 0.000 0.248 244 V C 2.340 178.389 176.094 -0.075 0.000 1.055 244 V CA 1.236 63.500 62.300 -0.060 0.000 1.038 244 V CB -0.387 31.410 31.823 -0.043 0.000 0.651 244 V HN 0.211 nan 8.190 nan 0.000 0.450 245 I N -0.042 120.452 120.570 -0.126 0.000 2.179 245 I HA -0.241 3.929 4.170 0.001 0.000 0.242 245 I C 2.336 178.322 176.117 -0.218 0.000 1.088 245 I CA 1.662 62.843 61.300 -0.199 0.000 1.357 245 I CB -0.600 37.202 38.000 -0.330 0.000 1.051 245 I HN 0.326 nan 8.210 nan 0.000 0.409 246 D N 0.740 121.045 120.400 -0.158 0.000 2.133 246 D HA -0.166 4.475 4.640 0.001 0.000 0.195 246 D C 2.187 178.398 176.300 -0.148 0.000 0.997 246 D CA 1.271 55.207 54.000 -0.107 0.000 0.840 246 D CB -0.147 40.641 40.800 -0.019 0.000 0.947 246 D HN 0.169 nan 8.370 nan 0.000 0.452 247 L N 0.708 121.881 121.223 -0.084 0.000 2.068 247 L HA -0.049 4.292 4.340 0.001 0.000 0.204 247 L C 2.482 179.321 176.870 -0.052 0.000 1.076 247 L CA 1.308 56.105 54.840 -0.073 0.000 0.753 247 L CB -1.559 40.510 42.059 0.017 0.000 0.910 247 L HN 0.032 nan 8.230 nan 0.000 0.439 248 T N 0.328 114.863 114.554 -0.031 0.000 2.788 248 T HA -0.120 4.231 4.350 0.001 0.000 0.268 248 T C 2.014 176.742 174.700 0.046 0.000 1.044 248 T CA 0.940 63.040 62.100 -0.000 0.000 1.139 248 T CB -0.162 68.706 68.868 0.001 0.000 0.867 248 T HN 0.187 nan 8.240 nan 0.000 0.454 249 L N 0.321 121.565 121.223 0.036 0.000 2.478 249 L HA 0.208 4.549 4.340 0.001 0.000 0.223 249 L C 2.086 179.038 176.870 0.137 0.000 1.140 249 L CA 0.516 55.450 54.840 0.157 0.000 0.842 249 L CB -0.596 41.465 42.059 0.002 0.000 0.953 249 L HN 0.517 nan 8.230 nan 0.000 0.452 250 G N 0.085 108.877 108.800 -0.013 0.000 2.148 250 G HA2 -0.301 3.659 3.960 0.001 0.000 0.254 250 G HA3 -0.301 3.659 3.960 0.001 0.000 0.254 250 G C 0.829 175.565 174.900 -0.274 0.000 0.981 250 G CA 0.387 45.430 45.100 -0.095 0.000 0.670 250 G HN 0.337 nan 8.290 nan 0.000 0.528 251 L N -0.922 120.147 121.223 -0.256 0.000 2.376 251 L HA 0.124 4.465 4.340 0.001 0.000 0.219 251 L C 1.400 177.880 176.870 -0.649 0.000 1.133 251 L CA 0.689 55.342 54.840 -0.312 0.000 0.816 251 L CB -0.164 41.819 42.059 -0.127 0.000 0.933 251 L HN 0.458 nan 8.230 nan 0.000 0.449 252 C N -1.381 117.417 119.300 -0.836 0.000 2.848 252 C HA 0.593 5.053 4.460 0.001 0.000 0.317 252 C C -0.545 173.691 174.990 -1.257 0.000 1.260 252 C CA -0.853 57.472 59.018 -1.155 0.000 1.656 252 C CB 1.616 28.614 27.740 -1.236 0.000 2.174 252 C HN 0.043 nan 8.230 nan 0.000 0.479 253 F N 0.325 119.996 119.950 -0.465 0.000 2.507 253 F HA 0.540 5.068 4.527 0.001 0.000 0.328 253 F C 0.784 176.556 175.800 -0.046 0.000 1.136 253 F CA -0.690 57.197 58.000 -0.188 0.000 0.930 253 F CB 1.048 39.997 39.000 -0.084 0.000 1.166 253 F HN 0.701 nan 8.300 nan 0.000 0.436 254 A N 2.255 125.203 122.820 0.214 0.000 2.119 254 A HA -0.126 4.195 4.320 0.001 0.000 0.217 254 A C 1.902 179.621 177.584 0.225 0.000 1.153 254 A CA 1.208 53.430 52.037 0.308 0.000 0.692 254 A CB -0.584 18.557 19.000 0.235 0.000 0.799 254 A HN 0.776 nan 8.150 nan 0.000 0.458 255 N N 0.467 119.282 118.700 0.192 0.000 2.515 255 N HA -0.044 4.696 4.740 0.001 0.000 0.191 255 N C -0.342 175.236 175.510 0.113 0.000 1.182 255 N CA 0.249 53.377 53.050 0.130 0.000 0.879 255 N CB -0.037 38.509 38.487 0.098 0.000 0.984 255 N HN 0.554 nan 8.380 nan 0.000 0.453 256 E N -0.333 119.963 120.200 0.160 0.000 2.171 256 E HA 0.454 4.805 4.350 0.001 0.000 0.271 256 E C 0.223 176.904 176.600 0.136 0.000 0.916 256 E CA -0.579 55.898 56.400 0.128 0.000 0.774 256 E CB 1.822 31.610 29.700 0.146 0.000 1.128 256 E HN 0.150 nan 8.360 nan 0.000 0.403 257 A N 2.707 125.579 122.820 0.087 0.000 1.892 257 A HA -0.258 4.063 4.320 0.001 0.000 0.218 257 A C 2.183 179.810 177.584 0.072 0.000 1.188 257 A CA 2.435 54.513 52.037 0.069 0.000 0.631 257 A CB -0.811 18.216 19.000 0.044 0.000 0.822 257 A HN 0.681 nan 8.150 nan 0.000 0.447 258 S N -1.836 113.914 115.700 0.083 0.000 2.387 258 S HA -0.265 4.206 4.470 0.001 0.000 0.230 258 S C 1.943 176.606 174.600 0.105 0.000 1.035 258 S CA 1.747 59.995 58.200 0.080 0.000 1.014 258 S CB -0.721 62.531 63.200 0.086 0.000 0.836 258 S HN 0.650 nan 8.310 nan 0.000 0.466 259 Y N 2.993 123.308 120.300 0.025 0.000 2.231 259 Y HA 0.022 4.572 4.550 0.001 0.000 0.294 259 Y C 2.855 178.747 175.900 -0.013 0.000 1.120 259 Y CA 1.258 59.364 58.100 0.009 0.000 1.141 259 Y CB -0.694 37.792 38.460 0.045 0.000 1.022 259 Y HN 0.453 nan 8.280 nan 0.000 0.523 260 S N 0.104 115.829 115.700 0.042 0.000 2.370 260 S HA -0.235 4.235 4.470 0.001 0.000 0.226 260 S C 1.414 175.947 174.600 -0.111 0.000 1.033 260 S CA 0.889 59.066 58.200 -0.037 0.000 1.011 260 S CB -0.770 62.474 63.200 0.074 0.000 0.852 260 S HN 0.526 nan 8.310 nan 0.000 0.457 264 V N 1.045 120.645 119.914 -0.522 0.000 2.469 264 V HA -0.236 3.885 4.120 0.001 0.000 0.251 264 V C 1.577 177.592 176.094 -0.131 0.000 1.064 264 V CA 2.316 64.513 62.300 -0.173 0.000 1.066 264 V CB -0.345 31.497 31.823 0.032 0.000 0.667 264 V HN 0.378 nan 8.190 nan 0.000 0.461 265 D N 0.007 120.292 120.400 -0.192 0.000 2.363 265 D HA -0.044 4.596 4.640 0.001 0.000 0.226 265 D C 1.831 178.040 176.300 -0.152 0.000 1.020 265 D CA 0.681 54.609 54.000 -0.119 0.000 0.892 265 D CB 0.042 40.760 40.800 -0.136 0.000 0.900 265 D HN 0.681 nan 8.370 nan 0.000 0.531 266 K N -1.281 118.980 120.400 -0.232 0.000 2.481 266 K HA 0.103 4.424 4.320 0.001 0.000 0.210 266 K C 1.206 177.823 176.600 0.029 0.000 1.161 266 K CA -0.248 55.950 56.287 -0.147 0.000 1.023 266 K CB -0.115 32.238 32.500 -0.245 0.000 0.971 266 K HN -0.240 nan 8.250 nan 0.000 0.577 267 F N 2.411 122.407 119.950 0.077 0.000 2.091 267 F HA -0.083 4.444 4.527 0.001 0.000 0.299 267 F C 1.848 177.714 175.800 0.110 0.000 1.103 267 F CA 1.294 59.333 58.000 0.066 0.000 1.228 267 F CB -0.513 38.509 39.000 0.035 0.000 0.984 267 F HN -0.074 nan 8.300 nan 0.000 0.477 268 L N -2.234 119.203 121.223 0.357 0.000 2.362 268 L HA -0.162 4.179 4.340 0.001 0.000 0.219 268 L C 0.632 177.581 176.870 0.132 0.000 1.134 268 L CA 0.366 55.337 54.840 0.219 0.000 0.807 268 L CB -0.660 41.508 42.059 0.181 0.000 0.927 268 L HN 0.043 nan 8.230 nan 0.000 0.447 273 E N 0.613 120.685 120.200 -0.213 0.000 2.058 273 E HA -0.188 4.163 4.350 0.001 0.000 0.194 273 E C 0.929 177.484 176.600 -0.075 0.000 0.997 273 E CA 1.590 57.904 56.400 -0.144 0.000 0.801 273 E CB -0.122 29.495 29.700 -0.137 0.000 0.746 273 E HN 0.393 nan 8.360 nan 0.000 0.450 274 D N 0.279 120.652 120.400 -0.044 0.000 2.117 274 D HA -0.134 4.506 4.640 0.001 0.000 0.198 274 D C 1.949 178.270 176.300 0.034 0.000 0.982 274 D CA 0.887 54.897 54.000 0.017 0.000 0.828 274 D CB -0.173 40.666 40.800 0.063 0.000 0.967 274 D HN 0.197 nan 8.370 nan 0.000 0.464 275 Q N -0.094 119.722 119.800 0.026 0.000 2.061 275 Q HA -0.240 4.100 4.340 0.001 0.000 0.204 275 Q C 2.087 178.027 176.000 -0.101 0.000 0.984 275 Q CA 1.360 57.173 55.803 0.017 0.000 0.846 275 Q CB -0.100 28.606 28.738 -0.053 0.000 0.902 275 Q HN 0.152 nan 8.270 nan 0.000 0.421 276 Q N 0.935 120.674 119.800 -0.102 0.000 2.046 276 Q HA -0.103 4.237 4.340 0.001 0.000 0.200 276 Q C 1.819 177.780 176.000 -0.065 0.000 0.975 276 Q CA 1.455 57.192 55.803 -0.109 0.000 0.836 276 Q CB -0.218 28.460 28.738 -0.099 0.000 0.896 276 Q HN 0.419 nan 8.270 nan 0.000 0.428 277 I N -0.052 120.497 120.570 -0.036 0.000 2.208 277 I HA -0.296 3.875 4.170 0.001 0.000 0.245 277 I C 2.298 178.421 176.117 0.010 0.000 1.097 277 I CA 0.990 62.282 61.300 -0.013 0.000 1.363 277 I CB -0.347 37.652 38.000 -0.003 0.000 1.051 277 I HN 0.270 nan 8.210 nan 0.000 0.413 278 L N 0.519 121.768 121.223 0.043 0.000 1.994 278 L HA -0.231 4.109 4.340 0.001 0.000 0.208 278 L C 2.930 179.867 176.870 0.112 0.000 1.071 278 L CA 1.539 56.443 54.840 0.107 0.000 0.745 278 L CB -0.335 41.866 42.059 0.237 0.000 0.892 278 L HN 0.191 nan 8.230 nan 0.000 0.431 279 R N -0.196 120.326 120.500 0.036 0.000 2.113 279 R HA -0.254 4.087 4.340 0.001 0.000 0.244 279 R C 2.068 178.370 176.300 0.003 0.000 1.142 279 R CA 2.063 58.143 56.100 -0.033 0.000 0.953 279 R CB -0.442 29.729 30.300 -0.214 0.000 0.860 279 R HN 0.507 nan 8.270 nan 0.000 0.438 280 E N 0.025 120.217 120.200 -0.013 0.000 2.085 280 E HA -0.157 4.193 4.350 0.001 0.000 0.194 280 E C 1.081 177.690 176.600 0.015 0.000 0.994 280 E CA 0.700 57.096 56.400 -0.006 0.000 0.801 280 E CB -0.082 29.608 29.700 -0.017 0.000 0.743 280 E HN 0.279 nan 8.360 nan 0.000 0.453 284 R N 0.837 121.348 120.500 0.020 0.000 2.774 284 R HA 0.587 4.928 4.340 0.001 0.000 0.272 284 R C -2.705 173.599 176.300 0.007 0.000 1.000 284 R CA -1.750 54.354 56.100 0.007 0.000 0.906 284 R CB 1.256 31.556 30.300 0.001 0.000 1.227 284 R HN 0.085 nan 8.270 nan 0.000 0.468 285 P HA 0.233 nan 4.420 nan 0.000 0.272 285 P C -1.244 176.047 177.300 -0.014 0.000 1.230 285 P CA -0.497 62.598 63.100 -0.010 0.000 0.788 285 P CB 0.513 32.196 31.700 -0.028 0.000 0.949 286 N N 0.254 118.949 118.700 -0.009 0.000 2.319 286 N HA 0.391 5.132 4.740 0.001 0.000 0.305 286 N C -0.370 175.121 175.510 -0.032 0.000 1.103 286 N CA -0.887 52.160 53.050 -0.005 0.000 0.815 286 N CB 0.636 39.130 38.487 0.011 0.000 1.288 286 N HN 0.116 nan 8.380 nan 0.000 0.493 290 D N 0.105 120.461 120.400 -0.072 0.000 2.123 290 D HA 0.003 4.644 4.640 0.001 0.000 0.200 290 D C 1.796 178.031 176.300 -0.108 0.000 0.976 290 D CA 0.715 54.626 54.000 -0.149 0.000 0.831 290 D CB -0.138 40.471 40.800 -0.319 0.000 0.974 290 D HN 0.141 nan 8.370 nan 0.000 0.469 291 F N 0.879 120.787 119.950 -0.071 0.000 2.293 291 F HA -0.006 4.522 4.527 0.001 0.000 0.300 291 F C 2.335 178.205 175.800 0.116 0.000 1.086 291 F CA 0.499 58.494 58.000 -0.007 0.000 1.375 291 F CB -0.352 38.505 39.000 -0.238 0.000 1.045 291 F HN -0.072 nan 8.300 nan 0.000 0.516 292 L N -1.127 120.237 121.223 0.235 0.000 2.109 292 L HA -0.169 4.172 4.340 0.001 0.000 0.207 292 L C 2.125 179.080 176.870 0.143 0.000 1.086 292 L CA 0.927 55.876 54.840 0.182 0.000 0.760 292 L CB -0.591 41.549 42.059 0.135 0.000 0.910 292 L HN -0.010 nan 8.230 nan 0.000 0.437 293 Q N -0.116 119.751 119.800 0.113 0.000 2.488 293 Q HA 0.028 4.368 4.340 0.001 0.000 0.211 293 Q C 1.267 177.329 176.000 0.102 0.000 0.967 293 Q CA 0.898 56.750 55.803 0.081 0.000 0.926 293 Q CB 0.083 28.850 28.738 0.048 0.000 0.992 293 Q HN 0.414 nan 8.270 nan 0.000 0.506 294 A N -0.519 122.409 122.820 0.179 0.000 2.713 294 A HA 0.154 4.475 4.320 0.001 0.000 0.296 294 A C 1.274 178.917 177.584 0.098 0.000 1.255 294 A CA -0.338 51.828 52.037 0.214 0.000 0.955 294 A CB -0.085 19.178 19.000 0.438 0.000 1.149 294 A HN 0.152 nan 8.150 nan 0.000 0.538 295 K N 0.051 120.486 120.400 0.058 0.000 2.152 295 K HA -0.139 4.181 4.320 0.001 0.000 0.206 295 K C 1.809 178.260 176.600 -0.248 0.000 1.048 295 K CA 1.633 57.890 56.287 -0.050 0.000 0.933 295 K CB -0.234 32.272 32.500 0.010 0.000 0.721 295 K HN 0.473 nan 8.250 nan 0.000 0.447 296 G N 0.094 108.787 108.800 -0.179 0.000 2.421 296 G HA2 -0.186 3.774 3.960 0.001 0.000 0.217 296 G HA3 -0.186 3.774 3.960 0.001 0.000 0.217 296 G C 1.136 175.858 174.900 -0.296 0.000 1.143 296 G CA 0.644 45.630 45.100 -0.189 0.000 0.784 296 G HN 0.403 nan 8.290 nan 0.000 0.541 297 C N 1.145 120.221 119.300 -0.373 0.000 2.460 297 C HA 0.200 4.661 4.460 0.001 0.000 0.322 297 C C 2.343 176.787 174.990 -0.910 0.000 1.333 297 C CA -0.819 57.931 59.018 -0.447 0.000 1.631 297 C CB -1.757 25.848 27.740 -0.225 0.000 1.672 297 C HN 0.477 nan 8.230 nan 0.000 0.596 298 I N 1.478 121.438 120.570 -1.016 0.000 2.315 298 I HA -0.240 3.931 4.170 0.001 0.000 0.251 298 I C 2.255 178.009 176.117 -0.605 0.000 1.125 298 I CA 1.971 62.641 61.300 -1.050 0.000 1.392 298 I CB -0.424 37.137 38.000 -0.731 0.000 1.065 298 I HN 0.465 nan 8.210 nan 0.000 0.424 299 H N 0.296 119.188 119.070 -0.297 0.000 2.551 299 H HA 0.199 4.756 4.556 0.001 0.000 0.266 299 H C 0.511 175.729 175.328 -0.183 0.000 0.977 299 H CA 0.112 56.055 56.048 -0.175 0.000 1.163 299 H CB -0.164 29.523 29.762 -0.125 0.000 1.381 299 H HN 0.406 nan 8.280 nan 0.000 0.581 300 Q N 1.282 120.948 119.800 -0.224 0.000 2.364 300 Q HA -0.038 4.303 4.340 0.001 0.000 0.267 300 Q C 0.681 176.521 176.000 -0.266 0.000 0.999 300 Q CA 0.063 55.684 55.803 -0.304 0.000 0.886 300 Q CB 0.999 29.327 28.738 -0.684 0.000 1.243 300 Q HN 0.249 nan 8.270 nan 0.000 0.415 301 D N 1.980 122.312 120.400 -0.112 0.000 2.144 301 D HA -0.156 4.485 4.640 0.001 0.000 0.199 301 D C 1.810 178.135 176.300 0.042 0.000 0.984 301 D CA 1.116 55.109 54.000 -0.011 0.000 0.834 301 D CB -0.042 40.790 40.800 0.052 0.000 0.955 301 D HN 0.741 nan 8.370 nan 0.000 0.465 302 W N 0.090 121.461 121.300 0.119 0.000 2.402 302 W HA -0.165 4.495 4.660 0.001 0.000 0.286 302 W C 1.892 178.536 176.519 0.208 0.000 1.221 302 W CA 0.108 57.534 57.345 0.135 0.000 1.257 302 W CB -1.355 28.173 29.460 0.113 0.000 1.120 302 W HN 0.003 nan 8.180 nan 0.000 0.551 303 Y N 3.357 123.221 120.300 -0.727 0.000 2.089 303 Y HA -0.315 4.235 4.550 0.001 0.000 0.282 303 Y C 3.170 178.988 175.900 -0.137 0.000 1.139 303 Y CA 3.603 61.335 58.100 -0.614 0.000 1.123 303 Y CB -0.681 37.204 38.460 -0.958 0.000 0.980 303 Y HN 0.115 nan 8.280 nan 0.000 0.493 304 Q N -0.660 119.147 119.800 0.011 0.000 2.230 304 Q HA -0.149 4.191 4.340 0.001 0.000 0.202 304 Q C 1.693 177.698 176.000 0.010 0.000 0.963 304 Q CA 1.673 57.477 55.803 0.002 0.000 0.866 304 Q CB -0.377 28.387 28.738 0.043 0.000 0.931 304 Q HN 0.586 nan 8.270 nan 0.000 0.452 305 E N 0.917 121.162 120.200 0.074 0.000 2.051 305 E HA -0.074 4.276 4.350 0.001 0.000 0.189 305 E C 1.665 178.431 176.600 0.276 0.000 0.979 305 E CA 0.935 57.424 56.400 0.148 0.000 0.803 305 E CB 0.150 29.909 29.700 0.098 0.000 0.761 305 E HN 0.393 nan 8.360 nan 0.000 0.451 306 N N 0.807 119.688 118.700 0.302 0.000 2.250 306 N HA -0.062 4.679 4.740 0.001 0.000 0.181 306 N C 1.808 177.348 175.510 0.050 0.000 1.017 306 N CA 0.451 53.699 53.050 0.331 0.000 0.866 306 N CB -0.190 38.616 38.487 0.532 0.000 0.985 306 N HN 0.083 nan 8.380 nan 0.000 0.429 307 L N 1.346 122.413 121.223 -0.259 0.000 2.012 307 L HA -0.173 4.167 4.340 0.001 0.000 0.210 307 L C 2.352 179.039 176.870 -0.304 0.000 1.073 307 L CA 1.454 55.860 54.840 -0.725 0.000 0.748 307 L CB -0.214 41.319 42.059 -0.876 0.000 0.891 307 L HN 0.191 nan 8.230 nan 0.000 0.431 308 K N -0.325 119.981 120.400 -0.155 0.000 2.044 308 K HA -0.267 4.053 4.320 0.001 0.000 0.210 308 K C 2.121 178.684 176.600 -0.062 0.000 1.049 308 K CA 1.644 57.884 56.287 -0.078 0.000 0.927 308 K CB -0.109 32.383 32.500 -0.015 0.000 0.713 308 K HN 0.164 nan 8.250 nan 0.000 0.443 309 L N 0.647 121.851 121.223 -0.031 0.000 2.056 309 L HA -0.087 4.254 4.340 0.001 0.000 0.207 309 L C 2.130 178.973 176.870 -0.044 0.000 1.078 309 L CA 1.399 56.208 54.840 -0.052 0.000 0.749 309 L CB -0.793 41.196 42.059 -0.118 0.000 0.901 309 L HN 0.223 nan 8.230 nan 0.000 0.433 310 F N 0.100 119.947 119.950 -0.171 0.000 2.095 310 F HA -0.265 4.263 4.527 0.001 0.000 0.298 310 F C 2.310 178.018 175.800 -0.153 0.000 1.104 310 F CA 1.765 59.667 58.000 -0.162 0.000 1.232 310 F CB -0.387 38.414 39.000 -0.332 0.000 0.987 310 F HN 0.043 nan 8.300 nan 0.000 0.475 311 I N 0.391 120.786 120.570 -0.292 0.000 2.208 311 I HA -0.312 3.858 4.170 0.001 0.000 0.245 311 I C 2.308 178.264 176.117 -0.268 0.000 1.097 311 I CA 1.873 62.980 61.300 -0.321 0.000 1.363 311 I CB -0.631 37.273 38.000 -0.160 0.000 1.051 311 I HN 0.266 nan 8.210 nan 0.000 0.413 312 E N 0.234 120.326 120.200 -0.181 0.000 2.077 312 E HA -0.181 4.169 4.350 0.001 0.000 0.193 312 E C 2.339 178.854 176.600 -0.141 0.000 0.989 312 E CA 1.236 57.560 56.400 -0.127 0.000 0.800 312 E CB -0.129 29.521 29.700 -0.084 0.000 0.746 312 E HN 0.300 nan 8.360 nan 0.000 0.452 313 V N 1.062 120.865 119.914 -0.186 0.000 2.287 313 V HA -0.325 3.796 4.120 0.001 0.000 0.248 313 V C 2.476 178.459 176.094 -0.184 0.000 1.053 313 V CA 1.646 63.847 62.300 -0.164 0.000 1.027 313 V CB -0.413 31.311 31.823 -0.165 0.000 0.646 313 V HN 0.478 nan 8.190 nan 0.000 0.447 314 C N -0.080 119.010 119.300 -0.350 0.000 2.413 314 C HA -0.165 4.295 4.460 0.001 0.000 0.277 314 C C 2.633 177.560 174.990 -0.105 0.000 1.228 314 C CA 1.181 60.034 59.018 -0.274 0.000 1.731 314 C CB -1.115 26.358 27.740 -0.445 0.000 2.042 314 C HN 0.632 nan 8.230 nan 0.000 0.468 315 E N 0.212 120.342 120.200 -0.118 0.000 2.268 315 E HA -0.147 4.203 4.350 0.001 0.000 0.195 315 E C 1.997 178.584 176.600 -0.021 0.000 0.995 315 E CA 0.619 56.986 56.400 -0.055 0.000 0.836 315 E CB -0.194 29.470 29.700 -0.059 0.000 0.763 315 E HN 0.640 nan 8.360 nan 0.000 0.491 316 L N 0.363 121.574 121.223 -0.021 0.000 2.131 316 L HA -0.133 4.207 4.340 0.001 0.000 0.206 316 L C 2.619 179.530 176.870 0.068 0.000 1.087 316 L CA 0.982 55.828 54.840 0.010 0.000 0.767 316 L CB -0.170 41.885 42.059 -0.006 0.000 0.917 316 L HN 0.290 nan 8.230 nan 0.000 0.441 317 H N -0.891 118.164 119.070 -0.025 0.000 2.395 317 H HA -0.101 4.455 4.556 0.001 0.000 0.299 317 H C 1.889 177.237 175.328 0.033 0.000 1.070 317 H CA 1.204 57.266 56.048 0.024 0.000 1.356 317 H CB 0.335 30.100 29.762 0.005 0.000 1.401 317 H HN 0.397 nan 8.280 nan 0.000 0.524 318 G N 0.162 108.959 108.800 -0.005 0.000 2.408 318 G HA2 -0.260 3.700 3.960 0.001 0.000 0.217 318 G HA3 -0.260 3.700 3.960 0.001 0.000 0.217 318 G C 1.624 176.502 174.900 -0.037 0.000 1.150 318 G CA 0.480 45.546 45.100 -0.057 0.000 0.776 318 G HN 0.425 nan 8.290 nan 0.000 0.542 319 Q N -0.366 119.431 119.800 -0.005 0.000 2.061 319 Q HA -0.151 4.190 4.340 0.001 0.000 0.204 319 Q C 2.569 178.590 176.000 0.034 0.000 0.984 319 Q CA 1.869 57.681 55.803 0.015 0.000 0.846 319 Q CB -0.342 28.407 28.738 0.017 0.000 0.902 319 Q HN 0.451 nan 8.270 nan 0.000 0.421 320 T N -1.029 113.543 114.554 0.030 0.000 3.035 320 T HA 0.046 4.397 4.350 0.001 0.000 0.268 320 T C 1.388 176.146 174.700 0.096 0.000 1.109 320 T CA 0.945 63.092 62.100 0.078 0.000 1.119 320 T CB -0.087 68.828 68.868 0.078 0.000 0.900 320 T HN 0.408 nan 8.240 nan 0.000 0.503 321 A N 0.743 123.562 122.820 -0.001 0.000 1.898 321 A HA 0.222 4.542 4.320 0.001 0.000 0.214 321 A C 2.177 179.816 177.584 0.092 0.000 1.183 321 A CA 0.818 52.858 52.037 0.005 0.000 0.622 321 A CB -0.432 18.495 19.000 -0.122 0.000 0.824 321 A HN 0.604 nan 8.150 nan 0.000 0.444 322 I N -0.856 119.751 120.570 0.062 0.000 2.286 322 I HA -0.209 3.962 4.170 0.001 0.000 0.245 322 I C 2.755 178.929 176.117 0.094 0.000 1.104 322 I CA 0.898 62.246 61.300 0.080 0.000 1.397 322 I CB -0.330 37.694 38.000 0.040 0.000 1.072 322 I HN 0.302 nan 8.210 nan 0.000 0.417 323 Q N 0.272 120.129 119.800 0.095 0.000 2.020 323 Q HA -0.288 4.053 4.340 0.001 0.000 0.202 323 Q C 2.241 178.267 176.000 0.044 0.000 0.982 323 Q CA 2.033 57.880 55.803 0.072 0.000 0.838 323 Q CB -0.592 28.257 28.738 0.185 0.000 0.899 323 Q HN 0.557 nan 8.270 nan 0.000 0.423 324 H N -0.498 118.647 119.070 0.124 0.000 2.352 324 H HA -0.168 4.389 4.556 0.001 0.000 0.299 324 H C 2.011 177.382 175.328 0.072 0.000 1.097 324 H CA 2.343 58.492 56.048 0.167 0.000 1.311 324 H CB -0.152 29.746 29.762 0.226 0.000 1.377 324 H HN 0.377 nan 8.280 nan 0.000 0.504 325 H N -0.031 119.005 119.070 -0.056 0.000 2.299 325 H HA -0.049 4.507 4.556 0.001 0.000 0.302 325 H C 1.499 176.717 175.328 -0.183 0.000 1.078 325 H CA 2.078 58.056 56.048 -0.117 0.000 1.323 325 H CB -0.350 29.393 29.762 -0.032 0.000 1.381 325 H HN 0.367 nan 8.280 nan 0.000 0.498 326 N N 0.192 118.729 118.700 -0.271 0.000 2.571 326 N HA -0.051 4.690 4.740 0.001 0.000 0.189 326 N C 1.065 176.319 175.510 -0.426 0.000 1.154 326 N CA 0.594 53.433 53.050 -0.353 0.000 0.907 326 N CB 0.251 38.619 38.487 -0.199 0.000 0.977 326 N HN 0.462 nan 8.380 nan 0.000 0.449 327 E N -0.650 119.243 120.200 -0.512 0.000 2.279 327 E HA 0.184 4.535 4.350 0.001 0.000 0.199 327 E C 0.885 177.209 176.600 -0.461 0.000 0.893 327 E CA 0.351 56.360 56.400 -0.651 0.000 0.978 327 E CB 0.009 28.913 29.700 -1.328 0.000 0.964 327 E HN 0.142 nan 8.360 nan 0.000 0.486 328 L N 0.642 121.663 121.223 -0.336 0.000 2.607 328 L HA 0.077 4.418 4.340 0.001 0.000 0.228 328 L C 1.547 178.404 176.870 -0.022 0.000 1.123 328 L CA 0.423 55.247 54.840 -0.026 0.000 0.890 328 L CB 0.646 42.691 42.059 -0.024 0.000 1.103 328 L HN -0.074 nan 8.230 nan 0.000 0.468 329 V N -3.135 116.637 119.914 -0.238 0.000 3.134 329 V HA -0.010 4.111 4.120 0.001 0.000 0.222 329 V C 2.035 177.963 176.094 -0.277 0.000 1.247 329 V CA 1.062 63.242 62.300 -0.200 0.000 1.281 329 V CB -0.230 31.442 31.823 -0.252 0.000 1.169 329 V HN 0.168 nan 8.190 nan 0.000 0.512 330 T N 0.662 114.948 114.554 -0.446 0.000 2.778 330 T HA -0.211 4.140 4.350 0.001 0.000 0.269 330 T C 1.772 176.284 174.700 -0.313 0.000 1.050 330 T CA 1.819 63.703 62.100 -0.359 0.000 1.137 330 T CB -0.178 68.465 68.868 -0.374 0.000 0.860 330 T HN 0.408 nan 8.240 nan 0.000 0.468 331 K N -0.492 119.636 120.400 -0.453 0.000 2.044 331 K HA 0.091 4.412 4.320 0.001 0.000 0.204 331 K C 0.350 176.679 176.600 -0.453 0.000 1.045 331 K CA 0.755 56.692 56.287 -0.584 0.000 0.951 331 K CB 0.040 31.931 32.500 -1.014 0.000 0.738 331 K HN 0.341 nan 8.250 nan 0.000 0.443 358 L N -0.537 120.693 121.223 0.012 0.000 2.693 358 L HA 0.522 4.863 4.340 0.001 0.000 0.235 358 L C 1.685 178.569 176.870 0.023 0.000 1.127 358 L CA 1.030 55.876 54.840 0.011 0.000 0.914 358 L CB 0.002 42.065 42.059 0.006 0.000 1.193 358 L HN 0.325 nan 8.230 nan 0.000 0.502 359 L N 0.832 122.074 121.223 0.032 0.000 2.217 359 L HA 0.159 4.500 4.340 0.001 0.000 0.211 359 L C 2.565 179.460 176.870 0.042 0.000 1.107 359 L CA 1.762 56.634 54.840 0.053 0.000 0.783 359 L CB -0.578 41.513 42.059 0.053 0.000 0.919 359 L HN 0.337 nan 8.230 nan 0.000 0.442 360 A N -1.528 121.305 122.820 0.021 0.000 1.873 360 A HA -0.163 4.157 4.320 0.001 0.000 0.215 360 A C 2.377 179.960 177.584 -0.001 0.000 1.186 360 A CA 1.847 53.888 52.037 0.007 0.000 0.616 360 A CB -0.887 18.116 19.000 0.004 0.000 0.823 360 A HN 0.463 nan 8.150 nan 0.000 0.442 361 S N -0.524 115.179 115.700 0.005 0.000 2.399 361 S HA -0.115 4.355 4.470 0.001 0.000 0.231 361 S C 1.775 176.374 174.600 -0.002 0.000 1.022 361 S CA 1.378 59.581 58.200 0.004 0.000 0.983 361 S CB -0.324 62.878 63.200 0.004 0.000 0.803 361 S HN 0.388 nan 8.310 nan 0.000 0.480 362 L N 1.823 123.048 121.223 0.003 0.000 2.072 362 L HA -0.017 4.324 4.340 0.001 0.000 0.205 362 L C 2.166 178.969 176.870 -0.111 0.000 1.079 362 L CA 1.638 56.475 54.840 -0.004 0.000 0.752 362 L CB -0.556 41.546 42.059 0.072 0.000 0.906 362 L HN 0.273 nan 8.230 nan 0.000 0.436 363 E N -1.027 119.099 120.200 -0.124 0.000 2.106 363 E HA -0.239 4.112 4.350 0.001 0.000 0.192 363 E C 2.192 178.707 176.600 -0.142 0.000 0.984 363 E CA 0.735 57.002 56.400 -0.222 0.000 0.806 363 E CB -0.239 29.397 29.700 -0.106 0.000 0.750 363 E HN 0.367 nan 8.360 nan 0.000 0.458 364 R N 1.295 121.754 120.500 -0.069 0.000 2.080 364 R HA -0.184 4.157 4.340 0.001 0.000 0.236 364 R C 2.438 178.722 176.300 -0.026 0.000 1.137 364 R CA 1.273 57.355 56.100 -0.031 0.000 0.943 364 R CB -0.430 29.872 30.300 0.003 0.000 0.846 364 R HN 0.197 nan 8.270 nan 0.000 0.431 365 L N 1.701 122.913 121.223 -0.019 0.000 2.042 365 L HA -0.158 4.182 4.340 0.001 0.000 0.210 365 L C 2.644 179.486 176.870 -0.048 0.000 1.076 365 L CA 1.815 56.654 54.840 -0.002 0.000 0.749 365 L CB -0.672 41.399 42.059 0.020 0.000 0.893 365 L HN 0.152 nan 8.230 nan 0.000 0.432 366 R N -0.377 120.059 120.500 -0.107 0.000 2.115 366 R HA -0.135 4.205 4.340 0.001 0.000 0.230 366 R C 1.643 177.880 176.300 -0.105 0.000 1.111 366 R CA 1.623 57.641 56.100 -0.137 0.000 0.976 366 R CB -0.502 29.623 30.300 -0.291 0.000 0.870 366 R HN 0.479 nan 8.270 nan 0.000 0.445 367 D N 0.115 120.457 120.400 -0.095 0.000 2.183 367 D HA -0.087 4.554 4.640 0.001 0.000 0.203 367 D C 1.987 178.270 176.300 -0.029 0.000 0.969 367 D CA 0.628 54.591 54.000 -0.062 0.000 0.842 367 D CB 0.002 40.766 40.800 -0.061 0.000 0.957 367 D HN 0.155 nan 8.370 nan 0.000 0.484 368 R N 0.702 121.187 120.500 -0.026 0.000 2.092 368 R HA 0.038 4.378 4.340 0.001 0.000 0.231 368 R C 2.254 178.531 176.300 -0.039 0.000 1.119 368 R CA 0.529 56.615 56.100 -0.022 0.000 0.970 368 R CB -0.258 30.014 30.300 -0.048 0.000 0.864 368 R HN 0.228 nan 8.270 nan 0.000 0.440 369 R N 0.240 120.715 120.500 -0.042 0.000 2.115 369 R HA 0.027 4.368 4.340 0.001 0.000 0.226 369 R C 1.746 178.035 176.300 -0.019 0.000 1.100 369 R CA 1.192 57.275 56.100 -0.028 0.000 0.980 369 R CB -0.033 30.188 30.300 -0.132 0.000 0.875 369 R HN 0.112 nan 8.270 nan 0.000 0.445 370 A N 0.463 123.268 122.820 -0.026 0.000 2.345 370 A HA 0.417 4.737 4.320 0.001 0.000 0.225 370 A C 0.914 178.518 177.584 0.033 0.000 1.243 370 A CA 0.350 52.384 52.037 -0.005 0.000 0.875 370 A CB 0.211 19.203 19.000 -0.014 0.000 0.929 370 A HN 0.244 nan 8.150 nan 0.000 0.502 371 A N -0.424 122.420 122.820 0.040 0.000 2.596 371 A HA -0.057 4.264 4.320 0.001 0.000 0.300 371 A C 0.716 178.409 177.584 0.181 0.000 1.495 371 A CA 0.752 52.846 52.037 0.095 0.000 0.769 371 A CB -2.681 16.366 19.000 0.078 0.000 1.047 371 A HN 1.846 nan 8.150 nan 0.000 0.436 372 V N -2.052 117.907 119.914 0.075 0.000 3.003 372 V HA 0.663 4.784 4.120 0.001 0.000 0.305 372 V C 0.793 176.771 176.094 -0.193 0.000 1.078 372 V CA -0.542 61.751 62.300 -0.012 0.000 1.083 372 V CB 1.317 33.100 31.823 -0.067 0.000 1.039 372 V HN 1.236 nan 8.190 nan 0.000 0.481 373 L N 4.614 125.467 121.223 -0.618 0.000 2.433 373 L HA 0.450 4.790 4.340 0.001 0.000 0.275 373 L C 0.289 176.903 176.870 -0.426 0.000 1.128 373 L CA 0.874 55.183 54.840 -0.886 0.000 0.875 373 L CB -0.641 40.678 42.059 -1.232 0.000 1.171 373 L HN 0.866 nan 8.230 nan 0.000 0.463 374 R N 3.254 123.564 120.500 -0.316 0.000 2.855 374 R HA 0.405 4.746 4.340 0.001 0.000 0.266 374 R C -0.675 175.531 176.300 -0.156 0.000 1.034 374 R CA -0.638 55.350 56.100 -0.187 0.000 0.944 374 R CB 1.722 31.953 30.300 -0.114 0.000 1.219 374 R HN 0.630 nan 8.270 nan 0.000 0.474 375 D N -1.282 119.059 120.400 -0.098 0.000 2.449 375 D HA -0.037 4.603 4.640 0.001 0.000 0.255 375 D C 0.470 176.747 176.300 -0.039 0.000 1.121 375 D CA 0.030 53.993 54.000 -0.061 0.000 0.830 375 D CB 0.625 41.398 40.800 -0.044 0.000 1.280 375 D HN 0.537 nan 8.370 nan 0.000 0.522 376 D N 1.231 121.606 120.400 -0.041 0.000 2.249 376 D HA -0.020 4.621 4.640 0.001 0.000 0.205 376 D C 1.036 177.321 176.300 -0.025 0.000 0.962 376 D CA 0.468 54.451 54.000 -0.028 0.000 0.860 376 D CB 0.637 41.421 40.800 -0.026 0.000 0.955 376 D HN 0.396 nan 8.370 nan 0.000 0.505 377 I N -3.438 117.115 120.570 -0.029 0.000 3.264 377 I HA 0.492 4.662 4.170 0.001 0.000 0.315 377 I C -0.538 175.561 176.117 -0.030 0.000 1.154 377 I CA -1.594 59.693 61.300 -0.022 0.000 0.962 377 I CB 2.534 40.534 38.000 -0.000 0.000 1.265 377 I HN -0.359 nan 8.210 nan 0.000 0.463 378 R N 1.052 121.527 120.500 -0.042 0.000 2.410 378 R HA 0.657 4.998 4.340 0.001 0.000 0.288 378 R C -1.229 175.126 176.300 0.090 0.000 1.051 378 R CA 0.092 56.151 56.100 -0.068 0.000 1.021 378 R CB 1.185 31.298 30.300 -0.313 0.000 1.032 378 R HN 0.899 nan 8.270 nan 0.000 0.481 379 T N 3.277 117.905 114.554 0.124 0.000 2.894 379 T HA 0.298 4.649 4.350 0.001 0.000 0.309 379 T C 0.077 174.919 174.700 0.237 0.000 1.208 379 T CA -0.866 61.356 62.100 0.203 0.000 1.016 379 T CB 1.637 70.558 68.868 0.089 0.000 1.192 379 T HN 0.504 nan 8.240 nan 0.000 0.491 380 R N 0.867 121.510 120.500 0.239 0.000 2.340 380 R HA 0.054 4.395 4.340 0.001 0.000 0.215 380 R C 1.182 177.575 176.300 0.155 0.000 1.017 380 R CA 0.111 56.332 56.100 0.202 0.000 1.111 380 R CB -0.984 29.400 30.300 0.140 0.000 1.049 380 R HN 0.689 nan 8.270 nan 0.000 0.490 381 Y N 0.199 120.517 120.300 0.030 0.000 2.097 381 Y HA -0.302 4.249 4.550 0.001 0.000 0.282 381 Y C 1.750 177.708 175.900 0.098 0.000 1.152 381 Y CA 1.761 59.856 58.100 -0.007 0.000 1.136 381 Y CB -0.357 38.020 38.460 -0.138 0.000 0.975 381 Y HN 0.073 nan 8.280 nan 0.000 0.498 382 Y N -0.098 120.275 120.300 0.120 0.000 2.293 382 Y HA -0.252 4.299 4.550 0.001 0.000 0.291 382 Y C 2.166 178.051 175.900 -0.025 0.000 1.137 382 Y CA 0.440 58.555 58.100 0.025 0.000 1.202 382 Y CB -0.035 38.500 38.460 0.126 0.000 0.990 382 Y HN 0.247 nan 8.280 nan 0.000 0.537 383 D N 0.146 120.658 120.400 0.187 0.000 2.103 383 D HA -0.153 4.488 4.640 0.001 0.000 0.199 383 D C 2.016 178.361 176.300 0.075 0.000 0.978 383 D CA 0.813 54.892 54.000 0.131 0.000 0.829 383 D CB -0.444 40.452 40.800 0.159 0.000 0.981 383 D HN 0.192 nan 8.370 nan 0.000 0.464 384 L N 1.212 122.458 121.223 0.037 0.000 2.083 384 L HA -0.131 4.210 4.340 0.001 0.000 0.209 384 L C 2.100 178.924 176.870 -0.077 0.000 1.083 384 L CA 1.656 56.490 54.840 -0.011 0.000 0.752 384 L CB -0.326 41.704 42.059 -0.049 0.000 0.899 384 L HN -0.098 nan 8.230 nan 0.000 0.433 385 K N -0.484 119.820 120.400 -0.159 0.000 2.057 385 K HA -0.244 4.076 4.320 0.001 0.000 0.206 385 K C 2.295 178.855 176.600 -0.066 0.000 1.050 385 K CA 1.502 57.686 56.287 -0.173 0.000 0.935 385 K CB -0.114 32.219 32.500 -0.279 0.000 0.715 385 K HN 0.250 nan 8.250 nan 0.000 0.439 386 K N 0.803 121.188 120.400 -0.024 0.000 2.063 386 K HA -0.146 4.174 4.320 0.001 0.000 0.208 386 K C 2.096 178.704 176.600 0.013 0.000 1.048 386 K CA 1.283 57.569 56.287 -0.002 0.000 0.928 386 K CB -0.055 32.458 32.500 0.022 0.000 0.713 386 K HN 0.168 nan 8.250 nan 0.000 0.442 387 L N 0.649 121.887 121.223 0.024 0.000 2.072 387 L HA -0.142 4.198 4.340 0.001 0.000 0.205 387 L C 2.428 179.298 176.870 -0.000 0.000 1.079 387 L CA 1.293 56.153 54.840 0.034 0.000 0.752 387 L CB -0.272 41.808 42.059 0.034 0.000 0.906 387 L HN 0.135 nan 8.230 nan 0.000 0.436 388 K N -0.194 120.190 120.400 -0.027 0.000 2.152 388 K HA -0.178 4.143 4.320 0.001 0.000 0.206 388 K C 1.524 178.110 176.600 -0.023 0.000 1.048 388 K CA 1.312 57.576 56.287 -0.038 0.000 0.933 388 K CB -0.087 32.381 32.500 -0.054 0.000 0.721 388 K HN 0.284 nan 8.250 nan 0.000 0.447 389 D N -0.134 120.256 120.400 -0.018 0.000 2.277 389 D HA -0.016 4.624 4.640 0.001 0.000 0.208 389 D C 1.681 177.978 176.300 -0.005 0.000 0.962 389 D CA 0.658 54.651 54.000 -0.013 0.000 0.865 389 D CB 0.221 41.010 40.800 -0.017 0.000 0.939 389 D HN 0.003 nan 8.370 nan 0.000 0.510 390 S N 0.548 116.253 115.700 0.009 0.000 2.368 390 S HA -0.024 4.446 4.470 0.001 0.000 0.224 390 S C 2.013 176.623 174.600 0.017 0.000 1.029 390 S CA 0.479 58.689 58.200 0.017 0.000 0.988 390 S CB -0.050 63.204 63.200 0.090 0.000 0.838 390 S HN 0.281 nan 8.310 nan 0.000 0.462 391 L N 0.731 121.971 121.223 0.028 0.000 2.622 391 L HA 0.138 4.478 4.340 0.001 0.000 0.233 391 L C 0.618 177.491 176.870 0.005 0.000 1.156 391 L CA 0.084 54.935 54.840 0.018 0.000 0.866 391 L CB -0.447 41.610 42.059 -0.004 0.000 0.980 391 L HN 0.222 nan 8.230 nan 0.000 0.448 392 R N 0.000 120.500 120.500 0.000 0.000 2.786 392 R HA 0.000 4.341 4.340 0.001 0.000 0.208 392 R CA 0.000 56.100 56.100 0.000 0.000 0.921 392 R CB 0.000 30.304 30.300 0.007 0.000 0.687 392 R HN 0.000 nan 8.270 nan 0.000 0.535